data_8VZ5
# 
_entry.id   8VZ5 
# 
_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   8VZ5         pdb_00008vz5 10.2210/pdb8vz5/pdb 
WWPDB D_1000281533 ?            ?                   
# 
_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                        8VZ5 
_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_database_related.db_name        PDB 
_pdbx_database_related.details        '8VZ3 contains the same protein derivatized with a different SuFEX compound.' 
_pdbx_database_related.db_id          8VZ3 
_pdbx_database_related.content_type   unspecified 
# 
_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          ? 
# 
_citation_author.citation_id        primary 
_citation_author.name               'Lastname, F.M.' 
_citation_author.ordinal            1 
_citation_author.identifier_ORCID   ? 
# 
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 '4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]benzoic acid'                               204.176   1   ?       ? ? ? 
3 non-polymer syn 'SULFATE ION'                                                                        96.063    2   ?       ? ? ? 
4 non-polymer syn '2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL' 354.436   1   ?       ? ? ? 
5 water       nat water                                                                                18.015    148 ?       ? ? ? 
# 
_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 '4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]benzoic acid'                               A1AEM 
3 'SULFATE ION'                                                                        SO4   
4 '2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL' PE4   
5 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 
A1AEM non-polymer         . '4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]benzoic acid'                               ? 'C7 H5 F O4 S' 
204.176 
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 
PE4   non-polymer         . '2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL' 
'POLYETHYLENE GLYCOL PEG4000' 'C16 H34 O8'     354.436 
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        A1AEM 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1AEM 
_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 A1AEM 1   901  901 A1AEM LIG A . 
C 3 SO4   1   902  201 SO4   SO4 A . 
D 3 SO4   1   903  202 SO4   SO4 A . 
E 4 PE4   1   904  300 PE4   PE4 A . 
F 5 HOH   1   1001 136 HOH   HOH A . 
F 5 HOH   2   1002 11  HOH   HOH A . 
F 5 HOH   3   1003 120 HOH   HOH A . 
F 5 HOH   4   1004 122 HOH   HOH A . 
F 5 HOH   5   1005 99  HOH   HOH A . 
F 5 HOH   6   1006 127 HOH   HOH A . 
F 5 HOH   7   1007 90  HOH   HOH A . 
F 5 HOH   8   1008 16  HOH   HOH A . 
F 5 HOH   9   1009 74  HOH   HOH A . 
F 5 HOH   10  1010 73  HOH   HOH A . 
F 5 HOH   11  1011 44  HOH   HOH A . 
F 5 HOH   12  1012 4   HOH   HOH A . 
F 5 HOH   13  1013 20  HOH   HOH A . 
F 5 HOH   14  1014 13  HOH   HOH A . 
F 5 HOH   15  1015 9   HOH   HOH A . 
F 5 HOH   16  1016 45  HOH   HOH A . 
F 5 HOH   17  1017 2   HOH   HOH A . 
F 5 HOH   18  1018 19  HOH   HOH A . 
F 5 HOH   19  1019 121 HOH   HOH A . 
F 5 HOH   20  1020 33  HOH   HOH A . 
F 5 HOH   21  1021 68  HOH   HOH A . 
F 5 HOH   22  1022 21  HOH   HOH A . 
F 5 HOH   23  1023 119 HOH   HOH A . 
F 5 HOH   24  1024 96  HOH   HOH A . 
F 5 HOH   25  1025 55  HOH   HOH A . 
F 5 HOH   26  1026 140 HOH   HOH A . 
F 5 HOH   27  1027 23  HOH   HOH A . 
F 5 HOH   28  1028 131 HOH   HOH A . 
F 5 HOH   29  1029 30  HOH   HOH A . 
F 5 HOH   30  1030 37  HOH   HOH A . 
F 5 HOH   31  1031 12  HOH   HOH A . 
F 5 HOH   32  1032 79  HOH   HOH A . 
F 5 HOH   33  1033 41  HOH   HOH A . 
F 5 HOH   34  1034 133 HOH   HOH A . 
F 5 HOH   35  1035 24  HOH   HOH A . 
F 5 HOH   36  1036 129 HOH   HOH A . 
F 5 HOH   37  1037 60  HOH   HOH A . 
F 5 HOH   38  1038 56  HOH   HOH A . 
F 5 HOH   39  1039 7   HOH   HOH A . 
F 5 HOH   40  1040 143 HOH   HOH A . 
F 5 HOH   41  1041 1   HOH   HOH A . 
F 5 HOH   42  1042 71  HOH   HOH A . 
F 5 HOH   43  1043 82  HOH   HOH A . 
F 5 HOH   44  1044 97  HOH   HOH A . 
F 5 HOH   45  1045 70  HOH   HOH A . 
F 5 HOH   46  1046 146 HOH   HOH A . 
F 5 HOH   47  1047 17  HOH   HOH A . 
F 5 HOH   48  1048 14  HOH   HOH A . 
F 5 HOH   49  1049 107 HOH   HOH A . 
F 5 HOH   50  1050 5   HOH   HOH A . 
F 5 HOH   51  1051 40  HOH   HOH A . 
F 5 HOH   52  1052 42  HOH   HOH A . 
F 5 HOH   53  1053 83  HOH   HOH A . 
F 5 HOH   54  1054 43  HOH   HOH A . 
F 5 HOH   55  1055 86  HOH   HOH A . 
F 5 HOH   56  1056 106 HOH   HOH A . 
F 5 HOH   57  1057 58  HOH   HOH A . 
F 5 HOH   58  1058 147 HOH   HOH A . 
F 5 HOH   59  1059 135 HOH   HOH A . 
F 5 HOH   60  1060 54  HOH   HOH A . 
F 5 HOH   61  1061 47  HOH   HOH A . 
F 5 HOH   62  1062 29  HOH   HOH A . 
F 5 HOH   63  1063 132 HOH   HOH A . 
F 5 HOH   64  1064 61  HOH   HOH A . 
F 5 HOH   65  1065 18  HOH   HOH A . 
F 5 HOH   66  1066 65  HOH   HOH A . 
F 5 HOH   67  1067 128 HOH   HOH A . 
F 5 HOH   68  1068 126 HOH   HOH A . 
F 5 HOH   69  1069 3   HOH   HOH A . 
F 5 HOH   70  1070 25  HOH   HOH A . 
F 5 HOH   71  1071 50  HOH   HOH A . 
F 5 HOH   72  1072 32  HOH   HOH A . 
F 5 HOH   73  1073 67  HOH   HOH A . 
F 5 HOH   74  1074 111 HOH   HOH A . 
F 5 HOH   75  1075 46  HOH   HOH A . 
F 5 HOH   76  1076 10  HOH   HOH A . 
F 5 HOH   77  1077 84  HOH   HOH A . 
F 5 HOH   78  1078 94  HOH   HOH A . 
F 5 HOH   79  1079 49  HOH   HOH A . 
F 5 HOH   80  1080 22  HOH   HOH A . 
F 5 HOH   81  1081 115 HOH   HOH A . 
F 5 HOH   82  1082 87  HOH   HOH A . 
F 5 HOH   83  1083 34  HOH   HOH A . 
F 5 HOH   84  1084 92  HOH   HOH A . 
F 5 HOH   85  1085 105 HOH   HOH A . 
F 5 HOH   86  1086 62  HOH   HOH A . 
F 5 HOH   87  1087 72  HOH   HOH A . 
F 5 HOH   88  1088 53  HOH   HOH A . 
F 5 HOH   89  1089 85  HOH   HOH A . 
F 5 HOH   90  1090 36  HOH   HOH A . 
F 5 HOH   91  1091 103 HOH   HOH A . 
F 5 HOH   92  1092 15  HOH   HOH A . 
F 5 HOH   93  1093 52  HOH   HOH A . 
F 5 HOH   94  1094 95  HOH   HOH A . 
F 5 HOH   95  1095 69  HOH   HOH A . 
F 5 HOH   96  1096 113 HOH   HOH A . 
F 5 HOH   97  1097 88  HOH   HOH A . 
F 5 HOH   98  1098 64  HOH   HOH A . 
F 5 HOH   99  1099 27  HOH   HOH A . 
F 5 HOH   100 1100 39  HOH   HOH A . 
F 5 HOH   101 1101 57  HOH   HOH A . 
F 5 HOH   102 1102 141 HOH   HOH A . 
F 5 HOH   103 1103 102 HOH   HOH A . 
F 5 HOH   104 1104 91  HOH   HOH A . 
F 5 HOH   105 1105 145 HOH   HOH A . 
F 5 HOH   106 1106 112 HOH   HOH A . 
F 5 HOH   107 1107 118 HOH   HOH A . 
F 5 HOH   108 1108 28  HOH   HOH A . 
F 5 HOH   109 1109 108 HOH   HOH A . 
F 5 HOH   110 1110 142 HOH   HOH A . 
F 5 HOH   111 1111 48  HOH   HOH A . 
F 5 HOH   112 1112 138 HOH   HOH A . 
F 5 HOH   113 1113 63  HOH   HOH A . 
F 5 HOH   114 1114 148 HOH   HOH A . 
F 5 HOH   115 1115 144 HOH   HOH A . 
F 5 HOH   116 1116 100 HOH   HOH A . 
F 5 HOH   117 1117 110 HOH   HOH A . 
F 5 HOH   118 1118 109 HOH   HOH A . 
F 5 HOH   119 1119 101 HOH   HOH A . 
F 5 HOH   120 1120 114 HOH   HOH A . 
F 5 HOH   121 1121 104 HOH   HOH A . 
F 5 HOH   122 1122 51  HOH   HOH A . 
F 5 HOH   123 1123 137 HOH   HOH A . 
F 5 HOH   124 1124 35  HOH   HOH A . 
F 5 HOH   125 1125 8   HOH   HOH A . 
F 5 HOH   126 1126 75  HOH   HOH A . 
F 5 HOH   127 1127 59  HOH   HOH A . 
F 5 HOH   128 1128 81  HOH   HOH A . 
F 5 HOH   129 1129 124 HOH   HOH A . 
F 5 HOH   130 1130 6   HOH   HOH A . 
F 5 HOH   131 1131 139 HOH   HOH A . 
F 5 HOH   132 1132 78  HOH   HOH A . 
F 5 HOH   133 1133 116 HOH   HOH A . 
F 5 HOH   134 1134 77  HOH   HOH A . 
F 5 HOH   135 1135 76  HOH   HOH A . 
F 5 HOH   136 1136 123 HOH   HOH A . 
F 5 HOH   137 1137 93  HOH   HOH A . 
F 5 HOH   138 1138 31  HOH   HOH A . 
F 5 HOH   139 1139 125 HOH   HOH A . 
F 5 HOH   140 1140 89  HOH   HOH A . 
F 5 HOH   141 1141 134 HOH   HOH A . 
F 5 HOH   142 1142 66  HOH   HOH A . 
F 5 HOH   143 1143 117 HOH   HOH A . 
F 5 HOH   144 1144 80  HOH   HOH A . 
F 5 HOH   145 1145 98  HOH   HOH A . 
F 5 HOH   146 1146 130 HOH   HOH A . 
F 5 HOH   147 1147 26  HOH   HOH A . 
F 5 HOH   148 1148 38  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' ? ? ? ? ? ? ? ? ? ? ? MOSFLM  ? ? ? .                    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                     8VZ5 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     68.200 
_cell.length_a_esd                 ? 
_cell.length_b                     68.200 
_cell.length_b_esd                 ? 
_cell.length_c                     79.221 
_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                         8VZ5 
_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                   8VZ5 
_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             2.86 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          56.96 
_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                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'ADSC QUANTUM 315' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-04-22 
_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                    'Double-crystal Si(111)' 
_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   1.0 
_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 8.2.2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   8.2.2 
_diffrn_source.pdbx_synchrotron_site       ALS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8VZ5 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.95 
_reflns.d_resolution_low                               59.06 
_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                                     16008 
_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                                19.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          8.1 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.43 
_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                                0.276 
_reflns.pdbx_Rpim_I_all                                0.063 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       363790 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.268 
_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                                    1.95 
_reflns_shell.d_res_low                                     1.99 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.5 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1092 
_reflns_shell.percent_possible_obs                          ? 
_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                               15.6 
_reflns_shell.pdbx_chi_squared                              0.27 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               3.860 
_reflns_shell.pdbx_Rpim_I_all                               0.963 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  3.736 
_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                                 8VZ5 
_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                            1.95 
_refine.ls_d_res_low                             59.06 
_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                     15978 
_refine.ls_number_reflns_R_free                  834 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.97 
_refine.ls_percent_reflns_R_free                 5.22 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2049 
_refine.ls_R_factor_R_free                       0.2431 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2028 
_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                 28.15 
_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                            0.31 
_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                       1.95 
_refine_hist.d_res_low                        59.06 
_refine_hist.number_atoms_solvent             148 
_refine_hist.number_atoms_total               1356 
_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         46 
_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' ? 0.007  ? 1230 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.834  ? 1643 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 14.746 ? 477  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.046  ? 163  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.007  ? 212  ? 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' 1.95 2.07  . . 124 2492 100.00 . . . . 0.3251 . . . . . . . . . . . 0.3221 
'X-RAY DIFFRACTION' 2.07 2.23  . . 151 2461 100.00 . . . . 0.2475 . . . . . . . . . . . 0.3320 
'X-RAY DIFFRACTION' 2.23 2.46  . . 114 2529 100.00 . . . . 0.2501 . . . . . . . . . . . 0.2517 
'X-RAY DIFFRACTION' 2.46 2.81  . . 142 2507 100.00 . . . . 0.2189 . . . . . . . . . . . 0.2836 
'X-RAY DIFFRACTION' 2.81 3.54  . . 145 2522 100.00 . . . . 0.1991 . . . . . . . . . . . 0.2431 
'X-RAY DIFFRACTION' 3.54 59.06 . . 158 2633 100.00 . . . . 0.1602 . . . . . . . . . . . 0.1989 
# 
_struct.entry_id                     8VZ5 
_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        8VZ5 
_struct_keywords.text            'Covalent derivatization SuFEx, 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 4 ? 
F N N 5 ? 
# 
_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              8VZ5 
_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 8VZ5 GLY A 1 ? UNP Q13526 ? ? 'expression tag' -3 1 
1 8VZ5 SER A 2 ? UNP Q13526 ? ? 'expression tag' -2 2 
1 8VZ5 HIS A 3 ? UNP Q13526 ? ? 'expression tag' -1 3 
1 8VZ5 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  ? GLY A 103 ? THR A 81  GLY A 99  1 ? 19 
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           A1AEM 
_struct_conn.ptnr2_label_seq_id            . 
_struct_conn.ptnr2_label_atom_id           S10 
_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            A1AEM 
_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               1.608 
_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                      A1AEM 
_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                       A1AEM 
_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               S10 
_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                        A1AEM 
_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 ? PHE A 129 ? ASP A 121 PHE A 125 
AA2 2 VAL A 59  ? VAL A 66  ? VAL A 55  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                   8VZ5 
_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 1098 ? ? O A HOH 1099 ? ? 1.97 
2 1 O   A HOH 1074 ? ? O A HOH 1146 ? ? 2.08 
3 1 O   A HOH 1040 ? ? O A HOH 1131 ? ? 2.09 
4 1 OE1 A GLU 87   ? ? O A HOH 1001 ? ? 2.10 
5 1 NZ  A LYS 132  ? ? O A HOH 1002 ? ? 2.13 
6 1 O   A PRO 8    ? ? O A HOH 1003 ? ? 2.14 
7 1 O   A HOH 1026 ? ? O A HOH 1123 ? ? 2.15 
8 1 N   A GLY 10   ? ? O A HOH 1004 ? ? 2.16 
9 1 N   A LEU 7    ? ? O A HOH 1005 ? ? 2.17 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 PRO A 8   ? ? -53.22 179.50 
2 1 PRO A 9   ? ? -58.11 109.50 
3 1 ASP A 112 ? ? -82.39 31.60  
# 
_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                       1148 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   5.86 
_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 
A1AEM C4   C Y N 1   
A1AEM C5   C Y N 2   
A1AEM C6   C Y N 3   
A1AEM C7   C Y N 4   
A1AEM C1   C N N 5   
A1AEM C2   C Y N 6   
A1AEM C3   C Y N 7   
A1AEM O11  O N N 8   
A1AEM O13  O N N 9   
A1AEM O8   O N N 10  
A1AEM O9   O N N 11  
A1AEM S10  S N N 12  
A1AEM H4   H N N 13  
A1AEM H6   H N N 14  
A1AEM H7   H N N 15  
A1AEM H3   H N N 16  
A1AEM H5   H N N 17  
A1AEM F1   F N N 18  
ALA   N    N N N 19  
ALA   CA   C N S 20  
ALA   C    C N N 21  
ALA   O    O N N 22  
ALA   CB   C N N 23  
ALA   OXT  O N N 24  
ALA   H    H N N 25  
ALA   H2   H N N 26  
ALA   HA   H N N 27  
ALA   HB1  H N N 28  
ALA   HB2  H N N 29  
ALA   HB3  H N N 30  
ALA   HXT  H N N 31  
ARG   N    N N N 32  
ARG   CA   C N S 33  
ARG   C    C N N 34  
ARG   O    O N N 35  
ARG   CB   C N N 36  
ARG   CG   C N N 37  
ARG   CD   C N N 38  
ARG   NE   N N N 39  
ARG   CZ   C N N 40  
ARG   NH1  N N N 41  
ARG   NH2  N N N 42  
ARG   OXT  O N N 43  
ARG   H    H N N 44  
ARG   H2   H N N 45  
ARG   HA   H N N 46  
ARG   HB2  H N N 47  
ARG   HB3  H N N 48  
ARG   HG2  H N N 49  
ARG   HG3  H N N 50  
ARG   HD2  H N N 51  
ARG   HD3  H N N 52  
ARG   HE   H N N 53  
ARG   HH11 H N N 54  
ARG   HH12 H N N 55  
ARG   HH21 H N N 56  
ARG   HH22 H N N 57  
ARG   HXT  H N N 58  
ASN   N    N N N 59  
ASN   CA   C N S 60  
ASN   C    C N N 61  
ASN   O    O N N 62  
ASN   CB   C N N 63  
ASN   CG   C N N 64  
ASN   OD1  O N N 65  
ASN   ND2  N N N 66  
ASN   OXT  O N N 67  
ASN   H    H N N 68  
ASN   H2   H N N 69  
ASN   HA   H N N 70  
ASN   HB2  H N N 71  
ASN   HB3  H N N 72  
ASN   HD21 H N N 73  
ASN   HD22 H N N 74  
ASN   HXT  H N N 75  
ASP   N    N N N 76  
ASP   CA   C N S 77  
ASP   C    C N N 78  
ASP   O    O N N 79  
ASP   CB   C N N 80  
ASP   CG   C N N 81  
ASP   OD1  O N N 82  
ASP   OD2  O N N 83  
ASP   OXT  O N N 84  
ASP   H    H N N 85  
ASP   H2   H N N 86  
ASP   HA   H N N 87  
ASP   HB2  H N N 88  
ASP   HB3  H N N 89  
ASP   HD2  H N N 90  
ASP   HXT  H N N 91  
CYS   N    N N N 92  
CYS   CA   C N R 93  
CYS   C    C N N 94  
CYS   O    O N N 95  
CYS   CB   C N N 96  
CYS   SG   S N N 97  
CYS   OXT  O N N 98  
CYS   H    H N N 99  
CYS   H2   H N N 100 
CYS   HA   H N N 101 
CYS   HB2  H N N 102 
CYS   HB3  H N N 103 
CYS   HG   H N N 104 
CYS   HXT  H N N 105 
GLN   N    N N N 106 
GLN   CA   C N S 107 
GLN   C    C N N 108 
GLN   O    O N N 109 
GLN   CB   C N N 110 
GLN   CG   C N N 111 
GLN   CD   C N N 112 
GLN   OE1  O N N 113 
GLN   NE2  N N N 114 
GLN   OXT  O N N 115 
GLN   H    H N N 116 
GLN   H2   H N N 117 
GLN   HA   H N N 118 
GLN   HB2  H N N 119 
GLN   HB3  H N N 120 
GLN   HG2  H N N 121 
GLN   HG3  H N N 122 
GLN   HE21 H N N 123 
GLN   HE22 H N N 124 
GLN   HXT  H N N 125 
GLU   N    N N N 126 
GLU   CA   C N S 127 
GLU   C    C N N 128 
GLU   O    O N N 129 
GLU   CB   C N N 130 
GLU   CG   C N N 131 
GLU   CD   C N N 132 
GLU   OE1  O N N 133 
GLU   OE2  O N N 134 
GLU   OXT  O N N 135 
GLU   H    H N N 136 
GLU   H2   H N N 137 
GLU   HA   H N N 138 
GLU   HB2  H N N 139 
GLU   HB3  H N N 140 
GLU   HG2  H N N 141 
GLU   HG3  H N N 142 
GLU   HE2  H N N 143 
GLU   HXT  H N N 144 
GLY   N    N N N 145 
GLY   CA   C N N 146 
GLY   C    C N N 147 
GLY   O    O N N 148 
GLY   OXT  O N N 149 
GLY   H    H N N 150 
GLY   H2   H N N 151 
GLY   HA2  H N N 152 
GLY   HA3  H N N 153 
GLY   HXT  H N N 154 
HIS   N    N N N 155 
HIS   CA   C N S 156 
HIS   C    C N N 157 
HIS   O    O N N 158 
HIS   CB   C N N 159 
HIS   CG   C Y N 160 
HIS   ND1  N Y N 161 
HIS   CD2  C Y N 162 
HIS   CE1  C Y N 163 
HIS   NE2  N Y N 164 
HIS   OXT  O N N 165 
HIS   H    H N N 166 
HIS   H2   H N N 167 
HIS   HA   H N N 168 
HIS   HB2  H N N 169 
HIS   HB3  H N N 170 
HIS   HD1  H N N 171 
HIS   HD2  H N N 172 
HIS   HE1  H N N 173 
HIS   HE2  H N N 174 
HIS   HXT  H N N 175 
HOH   O    O N N 176 
HOH   H1   H N N 177 
HOH   H2   H N N 178 
ILE   N    N N N 179 
ILE   CA   C N S 180 
ILE   C    C N N 181 
ILE   O    O N N 182 
ILE   CB   C N S 183 
ILE   CG1  C N N 184 
ILE   CG2  C N N 185 
ILE   CD1  C N N 186 
ILE   OXT  O N N 187 
ILE   H    H N N 188 
ILE   H2   H N N 189 
ILE   HA   H N N 190 
ILE   HB   H N N 191 
ILE   HG12 H N N 192 
ILE   HG13 H N N 193 
ILE   HG21 H N N 194 
ILE   HG22 H N N 195 
ILE   HG23 H N N 196 
ILE   HD11 H N N 197 
ILE   HD12 H N N 198 
ILE   HD13 H N N 199 
ILE   HXT  H N N 200 
LEU   N    N N N 201 
LEU   CA   C N S 202 
LEU   C    C N N 203 
LEU   O    O N N 204 
LEU   CB   C N N 205 
LEU   CG   C N N 206 
LEU   CD1  C N N 207 
LEU   CD2  C N N 208 
LEU   OXT  O N N 209 
LEU   H    H N N 210 
LEU   H2   H N N 211 
LEU   HA   H N N 212 
LEU   HB2  H N N 213 
LEU   HB3  H N N 214 
LEU   HG   H N N 215 
LEU   HD11 H N N 216 
LEU   HD12 H N N 217 
LEU   HD13 H N N 218 
LEU   HD21 H N N 219 
LEU   HD22 H N N 220 
LEU   HD23 H N N 221 
LEU   HXT  H N N 222 
LYS   N    N N N 223 
LYS   CA   C N S 224 
LYS   C    C N N 225 
LYS   O    O N N 226 
LYS   CB   C N N 227 
LYS   CG   C N N 228 
LYS   CD   C N N 229 
LYS   CE   C N N 230 
LYS   NZ   N N N 231 
LYS   OXT  O N N 232 
LYS   H    H N N 233 
LYS   H2   H N N 234 
LYS   HA   H N N 235 
LYS   HB2  H N N 236 
LYS   HB3  H N N 237 
LYS   HG2  H N N 238 
LYS   HG3  H N N 239 
LYS   HD2  H N N 240 
LYS   HD3  H N N 241 
LYS   HE2  H N N 242 
LYS   HE3  H N N 243 
LYS   HZ1  H N N 244 
LYS   HZ2  H N N 245 
LYS   HZ3  H N N 246 
LYS   HXT  H N N 247 
MET   N    N N N 248 
MET   CA   C N S 249 
MET   C    C N N 250 
MET   O    O N N 251 
MET   CB   C N N 252 
MET   CG   C N N 253 
MET   SD   S N N 254 
MET   CE   C N N 255 
MET   OXT  O N N 256 
MET   H    H N N 257 
MET   H2   H N N 258 
MET   HA   H N N 259 
MET   HB2  H N N 260 
MET   HB3  H N N 261 
MET   HG2  H N N 262 
MET   HG3  H N N 263 
MET   HE1  H N N 264 
MET   HE2  H N N 265 
MET   HE3  H N N 266 
MET   HXT  H N N 267 
PE4   O1   O N N 268 
PE4   C1   C N N 269 
PE4   C2   C N N 270 
PE4   O2   O N N 271 
PE4   C3   C N N 272 
PE4   C4   C N N 273 
PE4   O3   O N N 274 
PE4   C5   C N N 275 
PE4   C6   C N N 276 
PE4   O4   O N N 277 
PE4   C7   C N N 278 
PE4   C8   C N N 279 
PE4   O5   O N N 280 
PE4   C9   C N N 281 
PE4   C10  C N N 282 
PE4   O6   O N N 283 
PE4   C11  C N N 284 
PE4   C12  C N N 285 
PE4   O7   O N N 286 
PE4   C13  C N N 287 
PE4   C14  C N N 288 
PE4   O8   O N N 289 
PE4   C15  C N N 290 
PE4   C16  C N N 291 
PE4   HO1  H N N 292 
PE4   H11  H N N 293 
PE4   H12  H N N 294 
PE4   H21  H N N 295 
PE4   H22  H N N 296 
PE4   H31  H N N 297 
PE4   H32  H N N 298 
PE4   H41  H N N 299 
PE4   H42  H N N 300 
PE4   H51  H N N 301 
PE4   H52  H N N 302 
PE4   H61  H N N 303 
PE4   H62  H N N 304 
PE4   H71  H N N 305 
PE4   H72  H N N 306 
PE4   H81  H N N 307 
PE4   H82  H N N 308 
PE4   H91  H N N 309 
PE4   H92  H N N 310 
PE4   H101 H N N 311 
PE4   H102 H N N 312 
PE4   H111 H N N 313 
PE4   H112 H N N 314 
PE4   H121 H N N 315 
PE4   H122 H N N 316 
PE4   H131 H N N 317 
PE4   H132 H N N 318 
PE4   H141 H N N 319 
PE4   H142 H N N 320 
PE4   H151 H N N 321 
PE4   H152 H N N 322 
PE4   H161 H N N 323 
PE4   H162 H N N 324 
PE4   H163 H N N 325 
PHE   N    N N N 326 
PHE   CA   C N S 327 
PHE   C    C N N 328 
PHE   O    O N N 329 
PHE   CB   C N N 330 
PHE   CG   C Y N 331 
PHE   CD1  C Y N 332 
PHE   CD2  C Y N 333 
PHE   CE1  C Y N 334 
PHE   CE2  C Y N 335 
PHE   CZ   C Y N 336 
PHE   OXT  O N N 337 
PHE   H    H N N 338 
PHE   H2   H N N 339 
PHE   HA   H N N 340 
PHE   HB2  H N N 341 
PHE   HB3  H N N 342 
PHE   HD1  H N N 343 
PHE   HD2  H N N 344 
PHE   HE1  H N N 345 
PHE   HE2  H N N 346 
PHE   HZ   H N N 347 
PHE   HXT  H N N 348 
PRO   N    N N N 349 
PRO   CA   C N S 350 
PRO   C    C N N 351 
PRO   O    O N N 352 
PRO   CB   C N N 353 
PRO   CG   C N N 354 
PRO   CD   C N N 355 
PRO   OXT  O N N 356 
PRO   H    H N N 357 
PRO   HA   H N N 358 
PRO   HB2  H N N 359 
PRO   HB3  H N N 360 
PRO   HG2  H N N 361 
PRO   HG3  H N N 362 
PRO   HD2  H N N 363 
PRO   HD3  H N N 364 
PRO   HXT  H N N 365 
SER   N    N N N 366 
SER   CA   C N S 367 
SER   C    C N N 368 
SER   O    O N N 369 
SER   CB   C N N 370 
SER   OG   O N N 371 
SER   OXT  O N N 372 
SER   H    H N N 373 
SER   H2   H N N 374 
SER   HA   H N N 375 
SER   HB2  H N N 376 
SER   HB3  H N N 377 
SER   HG   H N N 378 
SER   HXT  H N N 379 
SO4   S    S N N 380 
SO4   O1   O N N 381 
SO4   O2   O N N 382 
SO4   O3   O N N 383 
SO4   O4   O N N 384 
THR   N    N N N 385 
THR   CA   C N S 386 
THR   C    C N N 387 
THR   O    O N N 388 
THR   CB   C N R 389 
THR   OG1  O N N 390 
THR   CG2  C N N 391 
THR   OXT  O N N 392 
THR   H    H N N 393 
THR   H2   H N N 394 
THR   HA   H N N 395 
THR   HB   H N N 396 
THR   HG1  H N N 397 
THR   HG21 H N N 398 
THR   HG22 H N N 399 
THR   HG23 H N N 400 
THR   HXT  H N N 401 
TRP   N    N N N 402 
TRP   CA   C N S 403 
TRP   C    C N N 404 
TRP   O    O N N 405 
TRP   CB   C N N 406 
TRP   CG   C Y N 407 
TRP   CD1  C Y N 408 
TRP   CD2  C Y N 409 
TRP   NE1  N Y N 410 
TRP   CE2  C Y N 411 
TRP   CE3  C Y N 412 
TRP   CZ2  C Y N 413 
TRP   CZ3  C Y N 414 
TRP   CH2  C Y N 415 
TRP   OXT  O N N 416 
TRP   H    H N N 417 
TRP   H2   H N N 418 
TRP   HA   H N N 419 
TRP   HB2  H N N 420 
TRP   HB3  H N N 421 
TRP   HD1  H N N 422 
TRP   HE1  H N N 423 
TRP   HE3  H N N 424 
TRP   HZ2  H N N 425 
TRP   HZ3  H N N 426 
TRP   HH2  H N N 427 
TRP   HXT  H N N 428 
TYR   N    N N N 429 
TYR   CA   C N S 430 
TYR   C    C N N 431 
TYR   O    O N N 432 
TYR   CB   C N N 433 
TYR   CG   C Y N 434 
TYR   CD1  C Y N 435 
TYR   CD2  C Y N 436 
TYR   CE1  C Y N 437 
TYR   CE2  C Y N 438 
TYR   CZ   C Y N 439 
TYR   OH   O N N 440 
TYR   OXT  O N N 441 
TYR   H    H N N 442 
TYR   H2   H N N 443 
TYR   HA   H N N 444 
TYR   HB2  H N N 445 
TYR   HB3  H N N 446 
TYR   HD1  H N N 447 
TYR   HD2  H N N 448 
TYR   HE1  H N N 449 
TYR   HE2  H N N 450 
TYR   HH   H N N 451 
TYR   HXT  H N N 452 
VAL   N    N N N 453 
VAL   CA   C N S 454 
VAL   C    C N N 455 
VAL   O    O N N 456 
VAL   CB   C N N 457 
VAL   CG1  C N N 458 
VAL   CG2  C N N 459 
VAL   OXT  O N N 460 
VAL   H    H N N 461 
VAL   H2   H N N 462 
VAL   HA   H N N 463 
VAL   HB   H N N 464 
VAL   HG11 H N N 465 
VAL   HG12 H N N 466 
VAL   HG13 H N N 467 
VAL   HG21 H N N 468 
VAL   HG22 H N N 469 
VAL   HG23 H N N 470 
VAL   HXT  H N N 471 
# 
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 
A1AEM O9  C1   doub N N 1   
A1AEM C3  C4   doub Y N 2   
A1AEM C3  C2   sing Y N 3   
A1AEM C4  C5   sing Y N 4   
A1AEM C1  C2   sing N N 5   
A1AEM C1  O8   sing N N 6   
A1AEM C2  C7   doub Y N 7   
A1AEM O13 S10  doub N N 8   
A1AEM C5  S10  sing N N 9   
A1AEM C5  C6   doub Y N 10  
A1AEM C7  C6   sing Y N 11  
A1AEM S10 O11  doub N N 12  
A1AEM C4  H4   sing N N 13  
A1AEM C6  H6   sing N N 14  
A1AEM C7  H7   sing N N 15  
A1AEM C3  H3   sing N N 16  
A1AEM O8  H5   sing N N 17  
A1AEM S10 F1   sing N N 18  
ALA   N   CA   sing N N 19  
ALA   N   H    sing N N 20  
ALA   N   H2   sing N N 21  
ALA   CA  C    sing N N 22  
ALA   CA  CB   sing N N 23  
ALA   CA  HA   sing N N 24  
ALA   C   O    doub N N 25  
ALA   C   OXT  sing N N 26  
ALA   CB  HB1  sing N N 27  
ALA   CB  HB2  sing N N 28  
ALA   CB  HB3  sing N N 29  
ALA   OXT HXT  sing N N 30  
ARG   N   CA   sing N N 31  
ARG   N   H    sing N N 32  
ARG   N   H2   sing N N 33  
ARG   CA  C    sing N N 34  
ARG   CA  CB   sing N N 35  
ARG   CA  HA   sing N N 36  
ARG   C   O    doub N N 37  
ARG   C   OXT  sing N N 38  
ARG   CB  CG   sing N N 39  
ARG   CB  HB2  sing N N 40  
ARG   CB  HB3  sing N N 41  
ARG   CG  CD   sing N N 42  
ARG   CG  HG2  sing N N 43  
ARG   CG  HG3  sing N N 44  
ARG   CD  NE   sing N N 45  
ARG   CD  HD2  sing N N 46  
ARG   CD  HD3  sing N N 47  
ARG   NE  CZ   sing N N 48  
ARG   NE  HE   sing N N 49  
ARG   CZ  NH1  sing N N 50  
ARG   CZ  NH2  doub N N 51  
ARG   NH1 HH11 sing N N 52  
ARG   NH1 HH12 sing N N 53  
ARG   NH2 HH21 sing N N 54  
ARG   NH2 HH22 sing N N 55  
ARG   OXT HXT  sing N N 56  
ASN   N   CA   sing N N 57  
ASN   N   H    sing N N 58  
ASN   N   H2   sing N N 59  
ASN   CA  C    sing N N 60  
ASN   CA  CB   sing N N 61  
ASN   CA  HA   sing N N 62  
ASN   C   O    doub N N 63  
ASN   C   OXT  sing N N 64  
ASN   CB  CG   sing N N 65  
ASN   CB  HB2  sing N N 66  
ASN   CB  HB3  sing N N 67  
ASN   CG  OD1  doub N N 68  
ASN   CG  ND2  sing N N 69  
ASN   ND2 HD21 sing N N 70  
ASN   ND2 HD22 sing N N 71  
ASN   OXT HXT  sing N N 72  
ASP   N   CA   sing N N 73  
ASP   N   H    sing N N 74  
ASP   N   H2   sing N N 75  
ASP   CA  C    sing N N 76  
ASP   CA  CB   sing N N 77  
ASP   CA  HA   sing N N 78  
ASP   C   O    doub N N 79  
ASP   C   OXT  sing N N 80  
ASP   CB  CG   sing N N 81  
ASP   CB  HB2  sing N N 82  
ASP   CB  HB3  sing N N 83  
ASP   CG  OD1  doub N N 84  
ASP   CG  OD2  sing N N 85  
ASP   OD2 HD2  sing N N 86  
ASP   OXT HXT  sing N N 87  
CYS   N   CA   sing N N 88  
CYS   N   H    sing N N 89  
CYS   N   H2   sing N N 90  
CYS   CA  C    sing N N 91  
CYS   CA  CB   sing N N 92  
CYS   CA  HA   sing N N 93  
CYS   C   O    doub N N 94  
CYS   C   OXT  sing N N 95  
CYS   CB  SG   sing N N 96  
CYS   CB  HB2  sing N N 97  
CYS   CB  HB3  sing N N 98  
CYS   SG  HG   sing N N 99  
CYS   OXT HXT  sing N N 100 
GLN   N   CA   sing N N 101 
GLN   N   H    sing N N 102 
GLN   N   H2   sing N N 103 
GLN   CA  C    sing N N 104 
GLN   CA  CB   sing N N 105 
GLN   CA  HA   sing N N 106 
GLN   C   O    doub N N 107 
GLN   C   OXT  sing N N 108 
GLN   CB  CG   sing N N 109 
GLN   CB  HB2  sing N N 110 
GLN   CB  HB3  sing N N 111 
GLN   CG  CD   sing N N 112 
GLN   CG  HG2  sing N N 113 
GLN   CG  HG3  sing N N 114 
GLN   CD  OE1  doub N N 115 
GLN   CD  NE2  sing N N 116 
GLN   NE2 HE21 sing N N 117 
GLN   NE2 HE22 sing N N 118 
GLN   OXT HXT  sing N N 119 
GLU   N   CA   sing N N 120 
GLU   N   H    sing N N 121 
GLU   N   H2   sing N N 122 
GLU   CA  C    sing N N 123 
GLU   CA  CB   sing N N 124 
GLU   CA  HA   sing N N 125 
GLU   C   O    doub N N 126 
GLU   C   OXT  sing N N 127 
GLU   CB  CG   sing N N 128 
GLU   CB  HB2  sing N N 129 
GLU   CB  HB3  sing N N 130 
GLU   CG  CD   sing N N 131 
GLU   CG  HG2  sing N N 132 
GLU   CG  HG3  sing N N 133 
GLU   CD  OE1  doub N N 134 
GLU   CD  OE2  sing N N 135 
GLU   OE2 HE2  sing N N 136 
GLU   OXT HXT  sing N N 137 
GLY   N   CA   sing N N 138 
GLY   N   H    sing N N 139 
GLY   N   H2   sing N N 140 
GLY   CA  C    sing N N 141 
GLY   CA  HA2  sing N N 142 
GLY   CA  HA3  sing N N 143 
GLY   C   O    doub N N 144 
GLY   C   OXT  sing N N 145 
GLY   OXT HXT  sing N N 146 
HIS   N   CA   sing N N 147 
HIS   N   H    sing N N 148 
HIS   N   H2   sing N N 149 
HIS   CA  C    sing N N 150 
HIS   CA  CB   sing N N 151 
HIS   CA  HA   sing N N 152 
HIS   C   O    doub N N 153 
HIS   C   OXT  sing N N 154 
HIS   CB  CG   sing N N 155 
HIS   CB  HB2  sing N N 156 
HIS   CB  HB3  sing N N 157 
HIS   CG  ND1  sing Y N 158 
HIS   CG  CD2  doub Y N 159 
HIS   ND1 CE1  doub Y N 160 
HIS   ND1 HD1  sing N N 161 
HIS   CD2 NE2  sing Y N 162 
HIS   CD2 HD2  sing N N 163 
HIS   CE1 NE2  sing Y N 164 
HIS   CE1 HE1  sing N N 165 
HIS   NE2 HE2  sing N N 166 
HIS   OXT HXT  sing N N 167 
HOH   O   H1   sing N N 168 
HOH   O   H2   sing N N 169 
ILE   N   CA   sing N N 170 
ILE   N   H    sing N N 171 
ILE   N   H2   sing N N 172 
ILE   CA  C    sing N N 173 
ILE   CA  CB   sing N N 174 
ILE   CA  HA   sing N N 175 
ILE   C   O    doub N N 176 
ILE   C   OXT  sing N N 177 
ILE   CB  CG1  sing N N 178 
ILE   CB  CG2  sing N N 179 
ILE   CB  HB   sing N N 180 
ILE   CG1 CD1  sing N N 181 
ILE   CG1 HG12 sing N N 182 
ILE   CG1 HG13 sing N N 183 
ILE   CG2 HG21 sing N N 184 
ILE   CG2 HG22 sing N N 185 
ILE   CG2 HG23 sing N N 186 
ILE   CD1 HD11 sing N N 187 
ILE   CD1 HD12 sing N N 188 
ILE   CD1 HD13 sing N N 189 
ILE   OXT HXT  sing N N 190 
LEU   N   CA   sing N N 191 
LEU   N   H    sing N N 192 
LEU   N   H2   sing N N 193 
LEU   CA  C    sing N N 194 
LEU   CA  CB   sing N N 195 
LEU   CA  HA   sing N N 196 
LEU   C   O    doub N N 197 
LEU   C   OXT  sing N N 198 
LEU   CB  CG   sing N N 199 
LEU   CB  HB2  sing N N 200 
LEU   CB  HB3  sing N N 201 
LEU   CG  CD1  sing N N 202 
LEU   CG  CD2  sing N N 203 
LEU   CG  HG   sing N N 204 
LEU   CD1 HD11 sing N N 205 
LEU   CD1 HD12 sing N N 206 
LEU   CD1 HD13 sing N N 207 
LEU   CD2 HD21 sing N N 208 
LEU   CD2 HD22 sing N N 209 
LEU   CD2 HD23 sing N N 210 
LEU   OXT HXT  sing N N 211 
LYS   N   CA   sing N N 212 
LYS   N   H    sing N N 213 
LYS   N   H2   sing N N 214 
LYS   CA  C    sing N N 215 
LYS   CA  CB   sing N N 216 
LYS   CA  HA   sing N N 217 
LYS   C   O    doub N N 218 
LYS   C   OXT  sing N N 219 
LYS   CB  CG   sing N N 220 
LYS   CB  HB2  sing N N 221 
LYS   CB  HB3  sing N N 222 
LYS   CG  CD   sing N N 223 
LYS   CG  HG2  sing N N 224 
LYS   CG  HG3  sing N N 225 
LYS   CD  CE   sing N N 226 
LYS   CD  HD2  sing N N 227 
LYS   CD  HD3  sing N N 228 
LYS   CE  NZ   sing N N 229 
LYS   CE  HE2  sing N N 230 
LYS   CE  HE3  sing N N 231 
LYS   NZ  HZ1  sing N N 232 
LYS   NZ  HZ2  sing N N 233 
LYS   NZ  HZ3  sing N N 234 
LYS   OXT HXT  sing N N 235 
MET   N   CA   sing N N 236 
MET   N   H    sing N N 237 
MET   N   H2   sing N N 238 
MET   CA  C    sing N N 239 
MET   CA  CB   sing N N 240 
MET   CA  HA   sing N N 241 
MET   C   O    doub N N 242 
MET   C   OXT  sing N N 243 
MET   CB  CG   sing N N 244 
MET   CB  HB2  sing N N 245 
MET   CB  HB3  sing N N 246 
MET   CG  SD   sing N N 247 
MET   CG  HG2  sing N N 248 
MET   CG  HG3  sing N N 249 
MET   SD  CE   sing N N 250 
MET   CE  HE1  sing N N 251 
MET   CE  HE2  sing N N 252 
MET   CE  HE3  sing N N 253 
MET   OXT HXT  sing N N 254 
PE4   O1  C1   sing N N 255 
PE4   O1  HO1  sing N N 256 
PE4   C1  C2   sing N N 257 
PE4   C1  H11  sing N N 258 
PE4   C1  H12  sing N N 259 
PE4   C2  O2   sing N N 260 
PE4   C2  H21  sing N N 261 
PE4   C2  H22  sing N N 262 
PE4   O2  C3   sing N N 263 
PE4   C3  C4   sing N N 264 
PE4   C3  H31  sing N N 265 
PE4   C3  H32  sing N N 266 
PE4   C4  O3   sing N N 267 
PE4   C4  H41  sing N N 268 
PE4   C4  H42  sing N N 269 
PE4   O3  C5   sing N N 270 
PE4   C5  C6   sing N N 271 
PE4   C5  H51  sing N N 272 
PE4   C5  H52  sing N N 273 
PE4   C6  O4   sing N N 274 
PE4   C6  H61  sing N N 275 
PE4   C6  H62  sing N N 276 
PE4   O4  C7   sing N N 277 
PE4   C7  C8   sing N N 278 
PE4   C7  H71  sing N N 279 
PE4   C7  H72  sing N N 280 
PE4   C8  O5   sing N N 281 
PE4   C8  H81  sing N N 282 
PE4   C8  H82  sing N N 283 
PE4   O5  C9   sing N N 284 
PE4   C9  C10  sing N N 285 
PE4   C9  H91  sing N N 286 
PE4   C9  H92  sing N N 287 
PE4   C10 O6   sing N N 288 
PE4   C10 H101 sing N N 289 
PE4   C10 H102 sing N N 290 
PE4   O6  C11  sing N N 291 
PE4   C11 C12  sing N N 292 
PE4   C11 H111 sing N N 293 
PE4   C11 H112 sing N N 294 
PE4   C12 O7   sing N N 295 
PE4   C12 H121 sing N N 296 
PE4   C12 H122 sing N N 297 
PE4   O7  C13  sing N N 298 
PE4   C13 C14  sing N N 299 
PE4   C13 H131 sing N N 300 
PE4   C13 H132 sing N N 301 
PE4   C14 O8   sing N N 302 
PE4   C14 H141 sing N N 303 
PE4   C14 H142 sing N N 304 
PE4   O8  C15  sing N N 305 
PE4   C15 C16  sing N N 306 
PE4   C15 H151 sing N N 307 
PE4   C15 H152 sing N N 308 
PE4   C16 H161 sing N N 309 
PE4   C16 H162 sing N N 310 
PE4   C16 H163 sing N N 311 
PHE   N   CA   sing N N 312 
PHE   N   H    sing N N 313 
PHE   N   H2   sing N N 314 
PHE   CA  C    sing N N 315 
PHE   CA  CB   sing N N 316 
PHE   CA  HA   sing N N 317 
PHE   C   O    doub N N 318 
PHE   C   OXT  sing N N 319 
PHE   CB  CG   sing N N 320 
PHE   CB  HB2  sing N N 321 
PHE   CB  HB3  sing N N 322 
PHE   CG  CD1  doub Y N 323 
PHE   CG  CD2  sing Y N 324 
PHE   CD1 CE1  sing Y N 325 
PHE   CD1 HD1  sing N N 326 
PHE   CD2 CE2  doub Y N 327 
PHE   CD2 HD2  sing N N 328 
PHE   CE1 CZ   doub Y N 329 
PHE   CE1 HE1  sing N N 330 
PHE   CE2 CZ   sing Y N 331 
PHE   CE2 HE2  sing N N 332 
PHE   CZ  HZ   sing N N 333 
PHE   OXT HXT  sing N N 334 
PRO   N   CA   sing N N 335 
PRO   N   CD   sing N N 336 
PRO   N   H    sing N N 337 
PRO   CA  C    sing N N 338 
PRO   CA  CB   sing N N 339 
PRO   CA  HA   sing N N 340 
PRO   C   O    doub N N 341 
PRO   C   OXT  sing N N 342 
PRO   CB  CG   sing N N 343 
PRO   CB  HB2  sing N N 344 
PRO   CB  HB3  sing N N 345 
PRO   CG  CD   sing N N 346 
PRO   CG  HG2  sing N N 347 
PRO   CG  HG3  sing N N 348 
PRO   CD  HD2  sing N N 349 
PRO   CD  HD3  sing N N 350 
PRO   OXT HXT  sing N N 351 
SER   N   CA   sing N N 352 
SER   N   H    sing N N 353 
SER   N   H2   sing N N 354 
SER   CA  C    sing N N 355 
SER   CA  CB   sing N N 356 
SER   CA  HA   sing N N 357 
SER   C   O    doub N N 358 
SER   C   OXT  sing N N 359 
SER   CB  OG   sing N N 360 
SER   CB  HB2  sing N N 361 
SER   CB  HB3  sing N N 362 
SER   OG  HG   sing N N 363 
SER   OXT HXT  sing N N 364 
SO4   S   O1   doub N N 365 
SO4   S   O2   doub N N 366 
SO4   S   O3   sing N N 367 
SO4   S   O4   sing N N 368 
THR   N   CA   sing N N 369 
THR   N   H    sing N N 370 
THR   N   H2   sing N N 371 
THR   CA  C    sing N N 372 
THR   CA  CB   sing N N 373 
THR   CA  HA   sing N N 374 
THR   C   O    doub N N 375 
THR   C   OXT  sing N N 376 
THR   CB  OG1  sing N N 377 
THR   CB  CG2  sing N N 378 
THR   CB  HB   sing N N 379 
THR   OG1 HG1  sing N N 380 
THR   CG2 HG21 sing N N 381 
THR   CG2 HG22 sing N N 382 
THR   CG2 HG23 sing N N 383 
THR   OXT HXT  sing N N 384 
TRP   N   CA   sing N N 385 
TRP   N   H    sing N N 386 
TRP   N   H2   sing N N 387 
TRP   CA  C    sing N N 388 
TRP   CA  CB   sing N N 389 
TRP   CA  HA   sing N N 390 
TRP   C   O    doub N N 391 
TRP   C   OXT  sing N N 392 
TRP   CB  CG   sing N N 393 
TRP   CB  HB2  sing N N 394 
TRP   CB  HB3  sing N N 395 
TRP   CG  CD1  doub Y N 396 
TRP   CG  CD2  sing Y N 397 
TRP   CD1 NE1  sing Y N 398 
TRP   CD1 HD1  sing N N 399 
TRP   CD2 CE2  doub Y N 400 
TRP   CD2 CE3  sing Y N 401 
TRP   NE1 CE2  sing Y N 402 
TRP   NE1 HE1  sing N N 403 
TRP   CE2 CZ2  sing Y N 404 
TRP   CE3 CZ3  doub Y N 405 
TRP   CE3 HE3  sing N N 406 
TRP   CZ2 CH2  doub Y N 407 
TRP   CZ2 HZ2  sing N N 408 
TRP   CZ3 CH2  sing Y N 409 
TRP   CZ3 HZ3  sing N N 410 
TRP   CH2 HH2  sing N N 411 
TRP   OXT HXT  sing N N 412 
TYR   N   CA   sing N N 413 
TYR   N   H    sing N N 414 
TYR   N   H2   sing N N 415 
TYR   CA  C    sing N N 416 
TYR   CA  CB   sing N N 417 
TYR   CA  HA   sing N N 418 
TYR   C   O    doub N N 419 
TYR   C   OXT  sing N N 420 
TYR   CB  CG   sing N N 421 
TYR   CB  HB2  sing N N 422 
TYR   CB  HB3  sing N N 423 
TYR   CG  CD1  doub Y N 424 
TYR   CG  CD2  sing Y N 425 
TYR   CD1 CE1  sing Y N 426 
TYR   CD1 HD1  sing N N 427 
TYR   CD2 CE2  doub Y N 428 
TYR   CD2 HD2  sing N N 429 
TYR   CE1 CZ   doub Y N 430 
TYR   CE1 HE1  sing N N 431 
TYR   CE2 CZ   sing Y N 432 
TYR   CE2 HE2  sing N N 433 
TYR   CZ  OH   sing N N 434 
TYR   OH  HH   sing N N 435 
TYR   OXT HXT  sing N N 436 
VAL   N   CA   sing N N 437 
VAL   N   H    sing N N 438 
VAL   N   H2   sing N N 439 
VAL   CA  C    sing N N 440 
VAL   CA  CB   sing N N 441 
VAL   CA  HA   sing N N 442 
VAL   C   O    doub N N 443 
VAL   C   OXT  sing N N 444 
VAL   CB  CG1  sing N N 445 
VAL   CB  CG2  sing N N 446 
VAL   CB  HB   sing N N 447 
VAL   CG1 HG11 sing N N 448 
VAL   CG1 HG12 sing N N 449 
VAL   CG1 HG13 sing N N 450 
VAL   CG2 HG21 sing N N 451 
VAL   CG2 HG22 sing N N 452 
VAL   CG2 HG23 sing N N 453 
VAL   OXT HXT  sing N N 454 
# 
_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                    8VZ5 
_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]   0.014663 
_atom_sites.fract_transf_matrix[1][2]   0.008466 
_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]   0.016931 
_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]   0.012623 
_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  ? 53.232 4.089   36.487 1.00 50.43 ? 7    LEU   A N   1 
ATOM   2    C CA  . LEU   A 1 11  ? 52.045 4.291   35.674 1.00 51.46 ? 7    LEU   A CA  1 
ATOM   3    C C   . LEU   A 1 11  ? 52.076 5.689   35.041 1.00 53.03 ? 7    LEU   A C   1 
ATOM   4    O O   . LEU   A 1 11  ? 52.514 6.645   35.672 1.00 55.48 ? 7    LEU   A O   1 
ATOM   5    C CB  . LEU   A 1 11  ? 50.785 4.087   36.530 1.00 56.57 ? 7    LEU   A CB  1 
ATOM   6    C CG  . LEU   A 1 11  ? 50.567 2.719   37.216 1.00 55.19 ? 7    LEU   A CG  1 
ATOM   7    C CD1 . LEU   A 1 11  ? 49.505 2.782   38.311 1.00 47.31 ? 7    LEU   A CD1 1 
ATOM   8    C CD2 . LEU   A 1 11  ? 50.176 1.650   36.196 1.00 53.20 ? 7    LEU   A CD2 1 
ATOM   9    N N   . PRO   A 1 12  ? 51.633 5.808   33.793 1.00 53.42 ? 8    PRO   A N   1 
ATOM   10   C CA  . PRO   A 1 12  ? 51.682 7.114   33.089 1.00 55.75 ? 8    PRO   A CA  1 
ATOM   11   C C   . PRO   A 1 12  ? 51.016 8.225   33.887 1.00 56.43 ? 8    PRO   A C   1 
ATOM   12   O O   . PRO   A 1 12  ? 50.500 7.997   34.995 1.00 56.59 ? 8    PRO   A O   1 
ATOM   13   C CB  . PRO   A 1 12  ? 50.932 6.833   31.779 1.00 56.46 ? 8    PRO   A CB  1 
ATOM   14   C CG  . PRO   A 1 12  ? 51.179 5.374   31.532 1.00 58.37 ? 8    PRO   A CG  1 
ATOM   15   C CD  . PRO   A 1 12  ? 51.182 4.721   32.908 1.00 56.46 ? 8    PRO   A CD  1 
ATOM   16   N N   . PRO   A 1 13  ? 51.005 9.466   33.355 1.00 56.11 ? 9    PRO   A N   1 
ATOM   17   C CA  . PRO   A 1 13  ? 50.646 10.622  34.193 1.00 54.00 ? 9    PRO   A CA  1 
ATOM   18   C C   . PRO   A 1 13  ? 49.264 10.528  34.826 1.00 53.35 ? 9    PRO   A C   1 
ATOM   19   O O   . PRO   A 1 13  ? 48.244 10.640  34.129 1.00 49.35 ? 9    PRO   A O   1 
ATOM   20   C CB  . PRO   A 1 13  ? 50.722 11.811  33.217 1.00 52.82 ? 9    PRO   A CB  1 
ATOM   21   C CG  . PRO   A 1 13  ? 51.591 11.348  32.097 1.00 56.19 ? 9    PRO   A CG  1 
ATOM   22   C CD  . PRO   A 1 13  ? 51.325 9.866   31.971 1.00 56.57 ? 9    PRO   A CD  1 
ATOM   23   N N   . GLY   A 1 14  ? 49.224 10.333  36.146 1.00 48.74 ? 10   GLY   A N   1 
ATOM   24   C CA  . GLY   A 1 14  ? 47.988 10.471  36.884 1.00 43.70 ? 10   GLY   A CA  1 
ATOM   25   C C   . GLY   A 1 14  ? 47.105 9.245   36.964 1.00 40.29 ? 10   GLY   A C   1 
ATOM   26   O O   . GLY   A 1 14  ? 45.885 9.390   37.114 1.00 36.69 ? 10   GLY   A O   1 
ATOM   27   N N   . TRP   A 1 15  ? 47.677 8.046   36.883 1.00 40.70 ? 11   TRP   A N   1 
ATOM   28   C CA  . TRP   A 1 15  ? 46.932 6.800   36.997 1.00 40.34 ? 11   TRP   A CA  1 
ATOM   29   C C   . TRP   A 1 15  ? 47.097 6.219   38.393 1.00 41.75 ? 11   TRP   A C   1 
ATOM   30   O O   . TRP   A 1 15  ? 48.175 6.289   38.987 1.00 45.29 ? 11   TRP   A O   1 
ATOM   31   C CB  . TRP   A 1 15  ? 47.403 5.765   35.971 1.00 41.16 ? 11   TRP   A CB  1 
ATOM   32   C CG  . TRP   A 1 15  ? 47.005 6.044   34.560 1.00 40.25 ? 11   TRP   A CG  1 
ATOM   33   C CD1 . TRP   A 1 15  ? 47.772 6.633   33.600 1.00 42.39 ? 11   TRP   A CD1 1 
ATOM   34   C CD2 . TRP   A 1 15  ? 45.749 5.730   33.932 1.00 37.10 ? 11   TRP   A CD2 1 
ATOM   35   N NE1 . TRP   A 1 15  ? 47.077 6.716   32.422 1.00 41.15 ? 11   TRP   A NE1 1 
ATOM   36   C CE2 . TRP   A 1 15  ? 45.833 6.169   32.595 1.00 36.49 ? 11   TRP   A CE2 1 
ATOM   37   C CE3 . TRP   A 1 15  ? 44.563 5.128   34.373 1.00 34.16 ? 11   TRP   A CE3 1 
ATOM   38   C CZ2 . TRP   A 1 15  ? 44.785 6.021   31.691 1.00 35.96 ? 11   TRP   A CZ2 1 
ATOM   39   C CZ3 . TRP   A 1 15  ? 43.519 4.983   33.473 1.00 33.99 ? 11   TRP   A CZ3 1 
ATOM   40   C CH2 . TRP   A 1 15  ? 43.641 5.425   32.143 1.00 35.75 ? 11   TRP   A CH2 1 
ATOM   41   N N   . GLU   A 1 16  ? 46.025 5.638   38.911 1.00 38.85 ? 12   GLU   A N   1 
ATOM   42   C CA  . GLU   A 1 16  ? 46.070 4.967   40.195 1.00 37.70 ? 12   GLU   A CA  1 
ATOM   43   C C   . GLU   A 1 16  ? 45.295 3.662   40.080 1.00 39.47 ? 12   GLU   A C   1 
ATOM   44   O O   . GLU   A 1 16  ? 44.440 3.496   39.204 1.00 35.28 ? 12   GLU   A O   1 
ATOM   45   C CB  . GLU   A 1 16  ? 45.495 5.849   41.314 1.00 39.48 ? 12   GLU   A CB  1 
ATOM   46   C CG  . GLU   A 1 16  ? 43.976 5.855   41.370 1.00 42.00 ? 12   GLU   A CG  1 
ATOM   47   C CD  . GLU   A 1 16  ? 43.407 6.947   42.262 1.00 39.76 ? 12   GLU   A CD  1 
ATOM   48   O OE1 . GLU   A 1 16  ? 43.689 8.135   42.013 1.00 40.54 ? 12   GLU   A OE1 1 
ATOM   49   O OE2 . GLU   A 1 16  ? 42.661 6.619   43.202 1.00 40.81 ? 12   GLU   A OE2 1 
ATOM   50   N N   . LYS   A 1 17  ? 45.613 2.730   40.972 1.00 40.82 ? 13   LYS   A N   1 
ATOM   51   C CA  . LYS   A 1 17  ? 44.935 1.445   41.024 1.00 40.77 ? 13   LYS   A CA  1 
ATOM   52   C C   . LYS   A 1 17  ? 43.764 1.537   41.991 1.00 43.25 ? 13   LYS   A C   1 
ATOM   53   O O   . LYS   A 1 17  ? 43.916 2.022   43.117 1.00 46.18 ? 13   LYS   A O   1 
ATOM   54   C CB  . LYS   A 1 17  ? 45.910 0.349   41.452 1.00 45.93 ? 13   LYS   A CB  1 
ATOM   55   C CG  . LYS   A 1 17  ? 45.270 -1.011  41.691 1.00 50.10 ? 13   LYS   A CG  1 
ATOM   56   C CD  . LYS   A 1 17  ? 46.310 -2.134  41.670 1.00 54.49 ? 13   LYS   A CD  1 
ATOM   57   C CE  . LYS   A 1 17  ? 46.928 -2.279  40.277 1.00 60.32 ? 13   LYS   A CE  1 
ATOM   58   N NZ  . LYS   A 1 17  ? 48.108 -3.199  40.269 1.00 67.57 ? 13   LYS   A NZ  1 
ATOM   59   N N   . ARG   A 1 18  ? 42.594 1.090   41.549 1.00 36.66 ? 14   ARG   A N   1 
ATOM   60   C CA  . ARG   A 1 18  ? 41.416 1.100   42.396 1.00 40.31 ? 14   ARG   A CA  1 
ATOM   61   C C   . ARG   A 1 18  ? 40.701 -0.237  42.264 1.00 39.72 ? 14   ARG   A C   1 
ATOM   62   O O   . ARG   A 1 18  ? 41.060 -1.087  41.443 1.00 37.68 ? 14   ARG   A O   1 
ATOM   63   C CB  . ARG   A 1 18  ? 40.475 2.263   42.052 1.00 38.44 ? 14   ARG   A CB  1 
ATOM   64   C CG  . ARG   A 1 18  ? 41.097 3.635   42.250 1.00 40.46 ? 14   ARG   A CG  1 
ATOM   65   C CD  . ARG   A 1 18  ? 40.415 4.428   43.365 1.00 44.88 ? 14   ARG   A CD  1 
ATOM   66   N NE  . ARG   A 1 18  ? 40.741 3.912   44.693 1.00 43.67 ? 14   ARG   A NE  1 
ATOM   67   C CZ  . ARG   A 1 18  ? 41.867 4.171   45.346 1.00 43.99 ? 14   ARG   A CZ  1 
ATOM   68   N NH1 . ARG   A 1 18  ? 42.822 4.913   44.811 1.00 44.60 ? 14   ARG   A NH1 1 
ATOM   69   N NH2 . ARG   A 1 18  ? 42.045 3.664   46.561 1.00 49.35 ? 14   ARG   A NH2 1 
ATOM   70   N N   . MET   A 1 19  ? 39.673 -0.410  43.087 1.00 39.03 ? 15   MET   A N   1 
ATOM   71   C CA  . MET   A 1 19  ? 38.889 -1.634  43.132 1.00 40.56 ? 15   MET   A CA  1 
ATOM   72   C C   . MET   A 1 19  ? 37.468 -1.336  42.684 1.00 39.65 ? 15   MET   A C   1 
ATOM   73   O O   . MET   A 1 19  ? 36.819 -0.438  43.232 1.00 38.79 ? 15   MET   A O   1 
ATOM   74   C CB  . MET   A 1 19  ? 38.880 -2.216  44.546 1.00 45.56 ? 15   MET   A CB  1 
ATOM   75   C CG  . MET   A 1 19  ? 38.415 -3.662  44.609 1.00 45.88 ? 15   MET   A CG  1 
ATOM   76   S SD  . MET   A 1 19  ? 39.825 -4.771  44.447 1.00 61.10 ? 15   MET   A SD  1 
ATOM   77   C CE  . MET   A 1 19  ? 41.202 -3.622  44.292 1.00 44.87 ? 15   MET   A CE  1 
ATOM   78   N N   . SER   A 1 20  ? 36.981 -2.091  41.699 1.00 37.12 ? 16   SER   A N   1 
ATOM   79   C CA  . SER   A 1 20  ? 35.588 -1.948  41.294 1.00 40.50 ? 16   SER   A CA  1 
ATOM   80   C C   . SER   A 1 20  ? 34.659 -2.195  42.481 1.00 37.57 ? 16   SER   A C   1 
ATOM   81   O O   . SER   A 1 20  ? 34.749 -3.220  43.160 1.00 36.18 ? 16   SER   A O   1 
ATOM   82   C CB  . SER   A 1 20  ? 35.252 -2.913  40.152 1.00 38.94 ? 16   SER   A CB  1 
ATOM   83   O OG  . SER   A 1 20  ? 33.886 -2.774  39.761 1.00 44.02 ? 16   SER   A OG  1 
ATOM   84   N N   . ARG   A 1 21  ? 33.761 -1.246  42.726 1.00 42.65 ? 17   ARG   A N   1 
ATOM   85   C CA  . ARG   A 1 21  ? 32.803 -1.408  43.814 1.00 41.18 ? 17   ARG   A CA  1 
ATOM   86   C C   . ARG   A 1 21  ? 31.806 -2.527  43.520 1.00 44.95 ? 17   ARG   A C   1 
ATOM   87   O O   . ARG   A 1 21  ? 31.400 -3.252  44.437 1.00 44.34 ? 17   ARG   A O   1 
ATOM   88   C CB  . ARG   A 1 21  ? 32.084 -0.079  44.064 1.00 43.20 ? 17   ARG   A CB  1 
ATOM   89   C CG  . ARG   A 1 21  ? 31.187 -0.027  45.295 1.00 42.04 ? 17   ARG   A CG  1 
ATOM   90   C CD  . ARG   A 1 21  ? 31.990 -0.143  46.566 1.00 42.11 ? 17   ARG   A CD  1 
ATOM   91   N NE  . ARG   A 1 21  ? 33.132 0.765   46.587 1.00 47.82 ? 17   ARG   A NE  1 
ATOM   92   C CZ  . ARG   A 1 21  ? 33.072 2.051   46.917 1.00 45.06 ? 17   ARG   A CZ  1 
ATOM   93   N NH1 . ARG   A 1 21  ? 31.922 2.635   47.229 1.00 39.79 ? 17   ARG   A NH1 1 
ATOM   94   N NH2 . ARG   A 1 21  ? 34.195 2.769   46.920 1.00 44.30 ? 17   ARG   A NH2 1 
ATOM   95   N N   . SER   A 1 22  ? 31.412 -2.705  42.257 1.00 42.32 ? 18   SER   A N   1 
ATOM   96   C CA  . SER   A 1 22  ? 30.415 -3.729  41.959 1.00 43.45 ? 18   SER   A CA  1 
ATOM   97   C C   . SER   A 1 22  ? 31.029 -5.125  41.821 1.00 43.46 ? 18   SER   A C   1 
ATOM   98   O O   . SER   A 1 22  ? 30.428 -6.104  42.276 1.00 46.92 ? 18   SER   A O   1 
ATOM   99   C CB  . SER   A 1 22  ? 29.619 -3.353  40.703 1.00 45.24 ? 18   SER   A CB  1 
ATOM   100  O OG  . SER   A 1 22  ? 30.454 -3.093  39.587 1.00 43.65 ? 18   SER   A OG  1 
ATOM   101  N N   . SER   A 1 23  ? 32.226 -5.255  41.235 1.00 42.36 ? 19   SER   A N   1 
ATOM   102  C CA  . SER   A 1 23  ? 32.762 -6.580  40.945 1.00 39.22 ? 19   SER   A CA  1 
ATOM   103  C C   . SER   A 1 23  ? 33.929 -7.005  41.821 1.00 40.95 ? 19   SER   A C   1 
ATOM   104  O O   . SER   A 1 23  ? 34.175 -8.208  41.937 1.00 40.59 ? 19   SER   A O   1 
ATOM   105  C CB  . SER   A 1 23  ? 33.198 -6.678  39.473 1.00 44.06 ? 19   SER   A CB  1 
ATOM   106  O OG  . SER   A 1 23  ? 34.184 -5.716  39.160 1.00 43.51 ? 19   SER   A OG  1 
ATOM   107  N N   . GLY   A 1 24  ? 34.646 -6.071  42.437 1.00 42.64 ? 20   GLY   A N   1 
ATOM   108  C CA  . GLY   A 1 24  ? 35.831 -6.418  43.196 1.00 43.12 ? 20   GLY   A CA  1 
ATOM   109  C C   . GLY   A 1 24  ? 37.100 -6.613  42.381 1.00 45.44 ? 20   GLY   A C   1 
ATOM   110  O O   . GLY   A 1 24  ? 38.165 -6.858  42.967 1.00 46.48 ? 20   GLY   A O   1 
ATOM   111  N N   . ARG   A 1 25  ? 37.031 -6.531  41.055 1.00 41.95 ? 21   ARG   A N   1 
ATOM   112  C CA  . ARG   A 1 25  ? 38.239 -6.615  40.242 1.00 39.53 ? 21   ARG   A CA  1 
ATOM   113  C C   . ARG   A 1 25  ? 38.940 -5.260  40.224 1.00 36.88 ? 21   ARG   A C   1 
ATOM   114  O O   . ARG   A 1 25  ? 38.294 -4.207  40.263 1.00 34.42 ? 21   ARG   A O   1 
ATOM   115  C CB  . ARG   A 1 25  ? 37.897 -7.061  38.818 1.00 42.26 ? 21   ARG   A CB  1 
ATOM   116  C CG  . ARG   A 1 25  ? 39.037 -7.766  38.063 1.00 41.94 ? 21   ARG   A CG  1 
ATOM   117  C CD  . ARG   A 1 25  ? 38.495 -8.446  36.805 1.00 43.88 ? 21   ARG   A CD  1 
ATOM   118  N NE  . ARG   A 1 25  ? 37.066 -8.195  36.708 1.00 45.23 ? 21   ARG   A NE  1 
ATOM   119  C CZ  . ARG   A 1 25  ? 36.472 -7.458  35.778 1.00 44.52 ? 21   ARG   A CZ  1 
ATOM   120  N NH1 . ARG   A 1 25  ? 37.137 -7.008  34.718 1.00 38.18 ? 21   ARG   A NH1 1 
ATOM   121  N NH2 . ARG   A 1 25  ? 35.172 -7.166  35.917 1.00 44.05 ? 21   ARG   A NH2 1 
ATOM   122  N N   . VAL   A 1 26  ? 40.270 -5.292  40.188 1.00 34.80 ? 22   VAL   A N   1 
ATOM   123  C CA  . VAL   A 1 26  ? 41.037 -4.055  40.164 1.00 37.26 ? 22   VAL   A CA  1 
ATOM   124  C C   . VAL   A 1 26  ? 40.857 -3.373  38.813 1.00 35.41 ? 22   VAL   A C   1 
ATOM   125  O O   . VAL   A 1 26  ? 40.582 -4.018  37.788 1.00 31.09 ? 22   VAL   A O   1 
ATOM   126  C CB  . VAL   A 1 26  ? 42.526 -4.321  40.454 1.00 37.60 ? 22   VAL   A CB  1 
ATOM   127  C CG1 . VAL   A 1 26  ? 42.677 -5.133  41.724 1.00 41.17 ? 22   VAL   A CG1 1 
ATOM   128  C CG2 . VAL   A 1 26  ? 43.185 -5.038  39.276 1.00 36.98 ? 22   VAL   A CG2 1 
ATOM   129  N N   . TYR   A 1 27  ? 41.000 -2.052  38.806 1.00 34.16 ? 23   TYR   A N   1 
ATOM   130  C CA  . TYR   A 1 27  ? 40.993 -1.315  37.553 1.00 32.35 ? 23   TYR   A CA  1 
ATOM   131  C C   . TYR   A 1 27  ? 41.879 -0.096  37.700 1.00 34.62 ? 23   TYR   A C   1 
ATOM   132  O O   . TYR   A 1 27  ? 42.501 0.126   38.744 1.00 36.90 ? 23   TYR   A O   1 
ATOM   133  C CB  . TYR   A 1 27  ? 39.586 -0.927  37.124 1.00 27.65 ? 23   TYR   A CB  1 
ATOM   134  C CG  . TYR   A 1 27  ? 38.868 0.120   37.948 1.00 32.86 ? 23   TYR   A CG  1 
ATOM   135  C CD1 . TYR   A 1 27  ? 38.349 -0.193  39.195 1.00 37.07 ? 23   TYR   A CD1 1 
ATOM   136  C CD2 . TYR   A 1 27  ? 38.638 1.402   37.448 1.00 32.76 ? 23   TYR   A CD2 1 
ATOM   137  C CE1 . TYR   A 1 27  ? 37.648 0.737   39.942 1.00 36.94 ? 23   TYR   A CE1 1 
ATOM   138  C CE2 . TYR   A 1 27  ? 37.932 2.361   38.200 1.00 33.74 ? 23   TYR   A CE2 1 
ATOM   139  C CZ  . TYR   A 1 27  ? 37.472 2.001   39.442 1.00 38.18 ? 23   TYR   A CZ  1 
ATOM   140  O OH  . TYR   A 1 27  ? 36.691 2.861   40.263 1.00 42.12 ? 23   TYR   A OH  1 
ATOM   141  N N   . TYR   A 1 28  ? 41.927 0.705   36.645 1.00 30.04 ? 24   TYR   A N   1 
ATOM   142  C CA  . TYR   A 1 28  ? 42.843 1.825   36.596 1.00 31.95 ? 24   TYR   A CA  1 
ATOM   143  C C   . TYR   A 1 28  ? 42.061 3.093   36.317 1.00 33.45 ? 24   TYR   A C   1 
ATOM   144  O O   . TYR   A 1 28  ? 41.196 3.125   35.434 1.00 30.13 ? 24   TYR   A O   1 
ATOM   145  C CB  . TYR   A 1 28  ? 43.949 1.569   35.567 1.00 36.13 ? 24   TYR   A CB  1 
ATOM   146  C CG  . TYR   A 1 28  ? 44.754 0.334   35.951 1.00 40.56 ? 24   TYR   A CG  1 
ATOM   147  C CD1 . TYR   A 1 28  ? 45.814 0.420   36.856 1.00 43.75 ? 24   TYR   A CD1 1 
ATOM   148  C CD2 . TYR   A 1 28  ? 44.403 -0.930  35.471 1.00 39.52 ? 24   TYR   A CD2 1 
ATOM   149  C CE1 . TYR   A 1 28  ? 46.531 -0.712  37.238 1.00 48.56 ? 24   TYR   A CE1 1 
ATOM   150  C CE2 . TYR   A 1 28  ? 45.113 -2.065  35.844 1.00 42.55 ? 24   TYR   A CE2 1 
ATOM   151  C CZ  . TYR   A 1 28  ? 46.177 -1.950  36.728 1.00 50.00 ? 24   TYR   A CZ  1 
ATOM   152  O OH  . TYR   A 1 28  ? 46.884 -3.072  37.107 1.00 55.12 ? 24   TYR   A OH  1 
ATOM   153  N N   . PHE   A 1 29  ? 42.355 4.123   37.093 1.00 30.26 ? 25   PHE   A N   1 
ATOM   154  C CA  . PHE   A 1 29  ? 41.621 5.369   37.043 1.00 30.91 ? 25   PHE   A CA  1 
ATOM   155  C C   . PHE   A 1 29  ? 42.604 6.514   36.893 1.00 30.56 ? 25   PHE   A C   1 
ATOM   156  O O   . PHE   A 1 29  ? 43.643 6.540   37.560 1.00 32.26 ? 25   PHE   A O   1 
ATOM   157  C CB  . PHE   A 1 29  ? 40.786 5.551   38.304 1.00 27.92 ? 25   PHE   A CB  1 
ATOM   158  C CG  . PHE   A 1 29  ? 40.191 6.906   38.424 1.00 27.19 ? 25   PHE   A CG  1 
ATOM   159  C CD1 . PHE   A 1 29  ? 39.159 7.293   37.593 1.00 27.71 ? 25   PHE   A CD1 1 
ATOM   160  C CD2 . PHE   A 1 29  ? 40.667 7.803   39.364 1.00 28.94 ? 25   PHE   A CD2 1 
ATOM   161  C CE1 . PHE   A 1 29  ? 38.603 8.557   37.709 1.00 29.17 ? 25   PHE   A CE1 1 
ATOM   162  C CE2 . PHE   A 1 29  ? 40.127 9.066   39.473 1.00 27.22 ? 25   PHE   A CE2 1 
ATOM   163  C CZ  . PHE   A 1 29  ? 39.097 9.446   38.651 1.00 28.59 ? 25   PHE   A CZ  1 
ATOM   164  N N   . ASN   A 1 30  ? 42.275 7.460   36.029 1.00 28.24 ? 26   ASN   A N   1 
ATOM   165  C CA  . ASN   A 1 30  ? 43.136 8.612   35.770 1.00 30.50 ? 26   ASN   A CA  1 
ATOM   166  C C   . ASN   A 1 30  ? 42.402 9.850   36.273 1.00 28.72 ? 26   ASN   A C   1 
ATOM   167  O O   . ASN   A 1 30  ? 41.358 10.217  35.726 1.00 27.39 ? 26   ASN   A O   1 
ATOM   168  C CB  . ASN   A 1 30  ? 43.484 8.714   34.280 1.00 31.01 ? 26   ASN   A CB  1 
ATOM   169  C CG  . ASN   A 1 30  ? 44.480 9.827   33.990 1.00 30.84 ? 26   ASN   A CG  1 
ATOM   170  O OD1 . ASN   A 1 30  ? 44.231 10.983  34.318 1.00 29.60 ? 26   ASN   A OD1 1 
ATOM   171  N ND2 . ASN   A 1 30  ? 45.618 9.478   33.400 1.00 30.13 ? 26   ASN   A ND2 1 
ATOM   172  N N   . HIS   A 1 31  ? 42.939 10.486  37.324 1.00 27.66 ? 27   HIS   A N   1 
ATOM   173  C CA  . HIS   A 1 31  ? 42.249 11.606  37.964 1.00 27.63 ? 27   HIS   A CA  1 
ATOM   174  C C   . HIS   A 1 31  ? 42.415 12.918  37.211 1.00 26.12 ? 27   HIS   A C   1 
ATOM   175  O O   . HIS   A 1 31  ? 41.869 13.935  37.647 1.00 27.04 ? 27   HIS   A O   1 
ATOM   176  C CB  . HIS   A 1 31  ? 42.730 11.787  39.410 1.00 26.63 ? 27   HIS   A CB  1 
ATOM   177  C CG  . HIS   A 1 31  ? 44.153 12.242  39.522 1.00 30.78 ? 27   HIS   A CG  1 
ATOM   178  N ND1 . HIS   A 1 31  ? 45.201 11.367  39.697 1.00 30.69 ? 27   HIS   A ND1 1 
ATOM   179  C CD2 . HIS   A 1 31  ? 44.702 13.482  39.475 1.00 31.93 ? 27   HIS   A CD2 1 
ATOM   180  C CE1 . HIS   A 1 31  ? 46.333 12.046  39.761 1.00 32.04 ? 27   HIS   A CE1 1 
ATOM   181  N NE2 . HIS   A 1 31  ? 46.057 13.330  39.634 1.00 33.09 ? 27   HIS   A NE2 1 
ATOM   182  N N   . ILE   A 1 32  ? 43.152 12.913  36.109 1.00 25.05 ? 28   ILE   A N   1 
ATOM   183  C CA  . ILE   A 1 32  ? 43.284 14.081  35.241 1.00 29.65 ? 28   ILE   A CA  1 
ATOM   184  C C   . ILE   A 1 32  ? 42.279 14.036  34.095 1.00 28.15 ? 28   ILE   A C   1 
ATOM   185  O O   . ILE   A 1 32  ? 41.647 15.046  33.781 1.00 30.83 ? 28   ILE   A O   1 
ATOM   186  C CB  . ILE   A 1 32  ? 44.731 14.175  34.714 1.00 29.47 ? 28   ILE   A CB  1 
ATOM   187  C CG1 . ILE   A 1 32  ? 45.722 14.351  35.878 1.00 27.81 ? 28   ILE   A CG1 1 
ATOM   188  C CG2 . ILE   A 1 32  ? 44.859 15.316  33.722 1.00 31.03 ? 28   ILE   A CG2 1 
ATOM   189  C CD1 . ILE   A 1 32  ? 47.144 14.011  35.520 1.00 34.86 ? 28   ILE   A CD1 1 
ATOM   190  N N   . THR   A 1 33  ? 42.113 12.871  33.463 1.00 30.01 ? 29   THR   A N   1 
ATOM   191  C CA  . THR   A 1 33  ? 41.143 12.673  32.387 1.00 27.29 ? 29   THR   A CA  1 
ATOM   192  C C   . THR   A 1 33  ? 39.820 12.106  32.867 1.00 27.37 ? 29   THR   A C   1 
ATOM   193  O O   . THR   A 1 33  ? 38.846 12.123  32.100 1.00 23.26 ? 29   THR   A O   1 
ATOM   194  C CB  . THR   A 1 33  ? 41.694 11.713  31.331 1.00 26.20 ? 29   THR   A CB  1 
ATOM   195  O OG1 . THR   A 1 33  ? 41.834 10.406  31.912 1.00 25.33 ? 29   THR   A OG1 1 
ATOM   196  C CG2 . THR   A 1 33  ? 43.042 12.192  30.851 1.00 28.52 ? 29   THR   A CG2 1 
ATOM   197  N N   . ASN   A 1 34  ? 39.772 11.569  34.091 1.00 25.57 ? 30   ASN   A N   1 
ATOM   198  C CA  . ASN   A 1 34  ? 38.618 10.837  34.607 1.00 24.98 ? 30   ASN   A CA  1 
ATOM   199  C C   . ASN   A 1 34  ? 38.306 9.592   33.774 1.00 25.12 ? 30   ASN   A C   1 
ATOM   200  O O   . ASN   A 1 34  ? 37.196 9.063   33.822 1.00 24.47 ? 30   ASN   A O   1 
ATOM   201  C CB  . ASN   A 1 34  ? 37.387 11.751  34.717 1.00 24.09 ? 30   ASN   A CB  1 
ATOM   202  C CG  . ASN   A 1 34  ? 37.481 12.713  35.925 1.00 27.97 ? 30   ASN   A CG  1 
ATOM   203  O OD1 . ASN   A 1 34  ? 38.178 12.419  36.901 1.00 26.27 ? 30   ASN   A OD1 1 
ATOM   204  N ND2 . ASN   A 1 34  ? 36.795 13.851  35.851 1.00 20.95 ? 30   ASN   A ND2 1 
ATOM   205  N N   . ALA   A 1 35  ? 39.268 9.094   33.010 1.00 24.27 ? 31   ALA   A N   1 
ATOM   206  C CA  . ALA   A 1 35  ? 39.093 7.793   32.377 1.00 27.59 ? 31   ALA   A CA  1 
ATOM   207  C C   . ALA   A 1 35  ? 39.256 6.670   33.397 1.00 28.46 ? 31   ALA   A C   1 
ATOM   208  O O   . ALA   A 1 35  ? 39.990 6.800   34.384 1.00 27.71 ? 31   ALA   A O   1 
ATOM   209  C CB  . ALA   A 1 35  ? 40.105 7.607   31.242 1.00 27.73 ? 31   ALA   A CB  1 
ATOM   210  N N   . SER   A 1 36  ? 38.549 5.562   33.158 1.00 29.04 ? 32   SER   A N   1 
ATOM   211  C CA  . SER   A 1 36  ? 38.832 4.312   33.853 1.00 28.56 ? 32   SER   A CA  1 
ATOM   212  C C   . SER   A 1 36  ? 38.746 3.136   32.888 1.00 32.62 ? 32   SER   A C   1 
ATOM   213  O O   . SER   A 1 36  ? 37.957 3.139   31.937 1.00 32.07 ? 32   SER   A O   1 
ATOM   214  C CB  . SER   A 1 36  ? 37.898 4.092   35.038 1.00 30.32 ? 32   SER   A CB  1 
ATOM   215  O OG  . SER   A 1 36  ? 36.610 4.517   34.722 1.00 33.18 ? 32   SER   A OG  1 
ATOM   216  N N   . GLN   A 1 37  ? 39.580 2.130   33.145 1.00 32.23 ? 33   GLN   A N   1 
ATOM   217  C CA  . GLN   A 1 37  ? 39.759 1.008   32.236 1.00 34.35 ? 33   GLN   A CA  1 
ATOM   218  C C   . GLN   A 1 37  ? 40.239 -0.196  33.034 1.00 31.61 ? 33   GLN   A C   1 
ATOM   219  O O   . GLN   A 1 37  ? 40.851 -0.046  34.093 1.00 33.03 ? 33   GLN   A O   1 
ATOM   220  C CB  . GLN   A 1 37  ? 40.761 1.351   31.127 1.00 30.38 ? 33   GLN   A CB  1 
ATOM   221  C CG  . GLN   A 1 37  ? 42.138 1.713   31.654 1.00 31.92 ? 33   GLN   A CG  1 
ATOM   222  C CD  . GLN   A 1 37  ? 43.137 1.975   30.550 1.00 39.13 ? 33   GLN   A CD  1 
ATOM   223  O OE1 . GLN   A 1 37  ? 42.901 2.786   29.652 1.00 34.73 ? 33   GLN   A OE1 1 
ATOM   224  N NE2 . GLN   A 1 37  ? 44.266 1.280   30.607 1.00 43.37 ? 33   GLN   A NE2 1 
ATOM   225  N N   . TRP   A 1 38  ? 39.964 -1.396  32.510 1.00 31.87 ? 34   TRP   A N   1 
ATOM   226  C CA  . TRP   A 1 38  ? 40.364 -2.605  33.214 1.00 33.52 ? 34   TRP   A CA  1 
ATOM   227  C C   . TRP   A 1 38  ? 41.846 -2.902  33.035 1.00 34.54 ? 34   TRP   A C   1 
ATOM   228  O O   . TRP   A 1 38  ? 42.469 -3.428  33.962 1.00 33.49 ? 34   TRP   A O   1 
ATOM   229  C CB  . TRP   A 1 38  ? 39.519 -3.804  32.761 1.00 32.49 ? 34   TRP   A CB  1 
ATOM   230  C CG  . TRP   A 1 38  ? 38.042 -3.712  33.110 1.00 32.32 ? 34   TRP   A CG  1 
ATOM   231  C CD1 . TRP   A 1 38  ? 36.999 -3.565  32.237 1.00 32.65 ? 34   TRP   A CD1 1 
ATOM   232  C CD2 . TRP   A 1 38  ? 37.460 -3.754  34.418 1.00 32.36 ? 34   TRP   A CD2 1 
ATOM   233  N NE1 . TRP   A 1 38  ? 35.805 -3.521  32.918 1.00 30.54 ? 34   TRP   A NE1 1 
ATOM   234  C CE2 . TRP   A 1 38  ? 36.059 -3.627  34.260 1.00 33.94 ? 34   TRP   A CE2 1 
ATOM   235  C CE3 . TRP   A 1 38  ? 37.982 -3.885  35.705 1.00 31.73 ? 34   TRP   A CE3 1 
ATOM   236  C CZ2 . TRP   A 1 38  ? 35.181 -3.628  35.343 1.00 35.67 ? 34   TRP   A CZ2 1 
ATOM   237  C CZ3 . TRP   A 1 38  ? 37.105 -3.883  36.780 1.00 32.78 ? 34   TRP   A CZ3 1 
ATOM   238  C CH2 . TRP   A 1 38  ? 35.723 -3.752  36.591 1.00 35.06 ? 34   TRP   A CH2 1 
ATOM   239  N N   . GLU   A 1 39  ? 42.429 -2.545  31.884 1.00 32.77 ? 35   GLU   A N   1 
ATOM   240  C CA  . GLU   A 1 39  ? 43.810 -2.883  31.553 1.00 37.49 ? 35   GLU   A CA  1 
ATOM   241  C C   . GLU   A 1 39  ? 44.813 -1.917  32.193 1.00 39.92 ? 35   GLU   A C   1 
ATOM   242  O O   . GLU   A 1 39  ? 44.507 -0.759  32.482 1.00 39.83 ? 35   GLU   A O   1 
ATOM   243  C CB  . GLU   A 1 39  ? 44.021 -2.871  30.038 1.00 39.78 ? 35   GLU   A CB  1 
ATOM   244  C CG  . GLU   A 1 39  ? 43.098 -3.771  29.242 1.00 42.84 ? 35   GLU   A CG  1 
ATOM   245  C CD  . GLU   A 1 39  ? 41.780 -3.094  28.831 1.00 45.47 ? 35   GLU   A CD  1 
ATOM   246  O OE1 . GLU   A 1 39  ? 41.386 -2.063  29.448 1.00 38.39 ? 35   GLU   A OE1 1 
ATOM   247  O OE2 . GLU   A 1 39  ? 41.139 -3.612  27.878 1.00 40.86 ? 35   GLU   A OE2 1 
ATOM   248  N N   . ARG   A 1 40  ? 46.040 -2.401  32.388 1.00 40.50 ? 36   ARG   A N   1 
ATOM   249  C CA  . ARG   A 1 40  ? 47.101 -1.516  32.858 1.00 48.33 ? 36   ARG   A CA  1 
ATOM   250  C C   . ARG   A 1 40  ? 47.414 -0.492  31.771 1.00 52.88 ? 36   ARG   A C   1 
ATOM   251  O O   . ARG   A 1 40  ? 47.663 -0.873  30.617 1.00 53.72 ? 36   ARG   A O   1 
ATOM   252  C CB  . ARG   A 1 40  ? 48.357 -2.290  33.235 1.00 50.51 ? 36   ARG   A CB  1 
ATOM   253  C CG  . ARG   A 1 40  ? 49.019 -1.741  34.488 1.00 52.63 ? 36   ARG   A CG  1 
ATOM   254  C CD  . ARG   A 1 40  ? 50.451 -2.251  34.682 1.00 57.92 ? 36   ARG   A CD  1 
ATOM   255  N NE  . ARG   A 1 40  ? 51.076 -1.641  35.853 1.00 57.30 ? 36   ARG   A NE  1 
ATOM   256  C CZ  . ARG   A 1 40  ? 50.878 -2.045  37.101 1.00 60.71 ? 36   ARG   A CZ  1 
ATOM   257  N NH1 . ARG   A 1 40  ? 50.116 -3.092  37.377 1.00 59.66 ? 36   ARG   A NH1 1 
ATOM   258  N NH2 . ARG   A 1 40  ? 51.450 -1.374  38.099 1.00 58.67 ? 36   ARG   A NH2 1 
ATOM   259  N N   . PRO   A 1 41  ? 47.399 0.804   32.088 1.00 54.08 ? 37   PRO   A N   1 
ATOM   260  C CA  . PRO   A 1 41  ? 47.492 1.836   31.043 1.00 53.74 ? 37   PRO   A CA  1 
ATOM   261  C C   . PRO   A 1 41  ? 48.740 1.678   30.177 1.00 60.40 ? 37   PRO   A C   1 
ATOM   262  O O   . PRO   A 1 41  ? 49.855 1.508   30.685 1.00 60.01 ? 37   PRO   A O   1 
ATOM   263  C CB  . PRO   A 1 41  ? 47.512 3.143   31.844 1.00 50.31 ? 37   PRO   A CB  1 
ATOM   264  C CG  . PRO   A 1 41  ? 47.869 2.740   33.253 1.00 47.59 ? 37   PRO   A CG  1 
ATOM   265  C CD  . PRO   A 1 41  ? 47.278 1.390   33.434 1.00 46.24 ? 37   PRO   A CD  1 
ATOM   266  N N   . SER   A 1 42  ? 48.537 1.757   28.856 1.00 62.83 ? 38   SER   A N   1 
ATOM   267  C CA  . SER   A 1 42  ? 49.570 1.464   27.838 1.00 69.31 ? 38   SER   A CA  1 
ATOM   268  C C   . SER   A 1 42  ? 50.989 1.913   28.220 1.00 68.93 ? 38   SER   A C   1 
ATOM   269  O O   . SER   A 1 42  ? 51.230 3.085   28.525 1.00 68.42 ? 38   SER   A O   1 
ATOM   270  C CB  . SER   A 1 42  ? 49.190 2.103   26.488 1.00 68.76 ? 38   SER   A CB  1 
ATOM   271  O OG  . SER   A 1 42  ? 48.140 1.402   25.827 1.00 70.48 ? 38   SER   A OG  1 
ATOM   272  N N   . GLU   A 1 55  ? 55.483 15.107  27.198 1.00 55.55 ? 51   GLU   A N   1 
ATOM   273  C CA  . GLU   A 1 55  ? 54.212 15.244  26.484 1.00 54.12 ? 51   GLU   A CA  1 
ATOM   274  C C   . GLU   A 1 55  ? 54.376 16.059  25.196 1.00 55.57 ? 51   GLU   A C   1 
ATOM   275  O O   . GLU   A 1 55  ? 55.335 16.831  25.061 1.00 52.01 ? 51   GLU   A O   1 
ATOM   276  C CB  . GLU   A 1 55  ? 53.169 15.911  27.377 1.00 50.50 ? 51   GLU   A CB  1 
ATOM   277  C CG  . GLU   A 1 55  ? 53.161 17.422  27.240 1.00 49.38 ? 51   GLU   A CG  1 
ATOM   278  C CD  . GLU   A 1 55  ? 52.271 18.099  28.265 1.00 46.72 ? 51   GLU   A CD  1 
ATOM   279  O OE1 . GLU   A 1 55  ? 51.670 17.383  29.099 1.00 42.57 ? 51   GLU   A OE1 1 
ATOM   280  O OE2 . GLU   A 1 55  ? 52.179 19.348  28.229 1.00 42.04 ? 51   GLU   A OE2 1 
ATOM   281  N N   . PRO   A 1 56  ? 53.432 15.907  24.263 1.00 58.62 ? 52   PRO   A N   1 
ATOM   282  C CA  . PRO   A 1 56  ? 53.550 16.598  22.969 1.00 50.54 ? 52   PRO   A CA  1 
ATOM   283  C C   . PRO   A 1 56  ? 53.284 18.091  23.102 1.00 49.24 ? 52   PRO   A C   1 
ATOM   284  O O   . PRO   A 1 56  ? 52.624 18.554  24.036 1.00 51.64 ? 52   PRO   A O   1 
ATOM   285  C CB  . PRO   A 1 56  ? 52.482 15.920  22.104 1.00 47.20 ? 52   PRO   A CB  1 
ATOM   286  C CG  . PRO   A 1 56  ? 51.436 15.474  23.096 1.00 48.24 ? 52   PRO   A CG  1 
ATOM   287  C CD  . PRO   A 1 56  ? 52.186 15.118  24.369 1.00 52.22 ? 52   PRO   A CD  1 
ATOM   288  N N   . ALA   A 1 57  ? 53.817 18.853  22.141 1.00 46.49 ? 53   ALA   A N   1 
ATOM   289  C CA  . ALA   A 1 57  ? 53.605 20.298  22.150 1.00 43.56 ? 53   ALA   A CA  1 
ATOM   290  C C   . ALA   A 1 57  ? 52.184 20.661  21.762 1.00 42.12 ? 53   ALA   A C   1 
ATOM   291  O O   . ALA   A 1 57  ? 51.671 21.706  22.187 1.00 43.03 ? 53   ALA   A O   1 
ATOM   292  C CB  . ALA   A 1 57  ? 54.580 20.992  21.203 1.00 41.19 ? 53   ALA   A CB  1 
ATOM   293  N N   . ARG   A 1 58  ? 51.542 19.830  20.943 1.00 41.51 ? 54   ARG   A N   1 
ATOM   294  C CA  . ARG   A 1 58  ? 50.190 20.096  20.480 1.00 38.22 ? 54   ARG   A CA  1 
ATOM   295  C C   . ARG   A 1 58  ? 49.413 18.793  20.434 1.00 36.41 ? 54   ARG   A C   1 
ATOM   296  O O   . ARG   A 1 58  ? 49.989 17.714  20.267 1.00 33.35 ? 54   ARG   A O   1 
ATOM   297  C CB  . ARG   A 1 58  ? 50.186 20.745  19.097 1.00 40.52 ? 54   ARG   A CB  1 
ATOM   298  C CG  . ARG   A 1 58  ? 51.026 22.005  19.020 1.00 46.25 ? 54   ARG   A CG  1 
ATOM   299  C CD  . ARG   A 1 58  ? 50.199 23.185  18.557 1.00 45.30 ? 54   ARG   A CD  1 
ATOM   300  N NE  . ARG   A 1 58  ? 49.730 23.019  17.189 1.00 43.65 ? 54   ARG   A NE  1 
ATOM   301  C CZ  . ARG   A 1 58  ? 48.925 23.874  16.574 1.00 48.33 ? 54   ARG   A CZ  1 
ATOM   302  N NH1 . ARG   A 1 58  ? 48.484 24.964  17.186 1.00 51.08 ? 54   ARG   A NH1 1 
ATOM   303  N NH2 . ARG   A 1 58  ? 48.558 23.633  15.313 1.00 48.23 ? 54   ARG   A NH2 1 
ATOM   304  N N   . VAL   A 1 59  ? 48.095 18.903  20.605 1.00 30.23 ? 55   VAL   A N   1 
ATOM   305  C CA  . VAL   A 1 59  ? 47.190 17.776  20.427 1.00 28.23 ? 55   VAL   A CA  1 
ATOM   306  C C   . VAL   A 1 59  ? 45.967 18.277  19.687 1.00 28.88 ? 55   VAL   A C   1 
ATOM   307  O O   . VAL   A 1 59  ? 45.694 19.477  19.623 1.00 31.30 ? 55   VAL   A O   1 
ATOM   308  C CB  . VAL   A 1 59  ? 46.754 17.120  21.754 1.00 27.38 ? 55   VAL   A CB  1 
ATOM   309  C CG1 . VAL   A 1 59  ? 47.967 16.634  22.521 1.00 31.28 ? 55   VAL   A CG1 1 
ATOM   310  C CG2 . VAL   A 1 59  ? 45.937 18.101  22.575 1.00 28.73 ? 55   VAL   A CG2 1 
ATOM   311  N N   . ARG   A 1 60  ? 45.219 17.338  19.132 1.00 27.31 ? 56   ARG   A N   1 
ATOM   312  C CA  . ARG   A 1 60  ? 43.952 17.647  18.499 1.00 27.70 ? 56   ARG   A CA  1 
ATOM   313  C C   . ARG   A 1 60  ? 42.868 16.816  19.164 1.00 26.98 ? 56   ARG   A C   1 
ATOM   314  O O   . ARG   A 1 60  ? 43.035 15.606  19.336 1.00 28.25 ? 56   ARG   A O   1 
ATOM   315  C CB  . ARG   A 1 60  ? 44.022 17.359  17.008 1.00 29.76 ? 56   ARG   A CB  1 
ATOM   316  C CG  . ARG   A 1 60  ? 42.700 17.523  16.297 1.00 30.50 ? 56   ARG   A CG  1 
ATOM   317  C CD  . ARG   A 1 60  ? 42.825 17.086  14.848 1.00 32.27 ? 56   ARG   A CD  1 
ATOM   318  N NE  . ARG   A 1 60  ? 41.671 17.488  14.057 1.00 35.27 ? 56   ARG   A NE  1 
ATOM   319  C CZ  . ARG   A 1 60  ? 41.532 17.237  12.765 1.00 39.53 ? 56   ARG   A CZ  1 
ATOM   320  N NH1 . ARG   A 1 60  ? 42.458 16.579  12.089 1.00 38.67 ? 56   ARG   A NH1 1 
ATOM   321  N NH2 . ARG   A 1 60  ? 40.435 17.656  12.138 1.00 36.85 ? 56   ARG   A NH2 1 
ATOM   322  N N   . CYS   A 1 61  ? 41.762 17.458  19.533 1.00 28.55 ? 57   CYS   A N   1 
ATOM   323  C CA  . CYS   A 1 61  ? 40.675 16.768  20.209 1.00 25.71 ? 57   CYS   A CA  1 
ATOM   324  C C   . CYS   A 1 61  ? 39.346 17.172  19.601 1.00 27.31 ? 57   CYS   A C   1 
ATOM   325  O O   . CYS   A 1 61  ? 39.202 18.258  19.025 1.00 26.82 ? 57   CYS   A O   1 
ATOM   326  C CB  . CYS   A 1 61  ? 40.649 17.079  21.706 1.00 25.04 ? 57   CYS   A CB  1 
ATOM   327  S SG  . CYS   A 1 61  ? 42.157 16.629  22.578 1.00 27.78 ? 57   CYS   A SG  1 
ATOM   328  N N   . SER   A 1 62  ? 38.372 16.279  19.725 1.00 23.38 ? 58   SER   A N   1 
ATOM   329  C CA  . SER   A 1 62  ? 36.971 16.655  19.638 1.00 23.10 ? 58   SER   A CA  1 
ATOM   330  C C   . SER   A 1 62  ? 36.379 16.575  21.036 1.00 23.02 ? 58   SER   A C   1 
ATOM   331  O O   . SER   A 1 62  ? 36.977 16.009  21.956 1.00 24.18 ? 58   SER   A O   1 
ATOM   332  C CB  . SER   A 1 62  ? 36.209 15.745  18.671 1.00 24.76 ? 58   SER   A CB  1 
ATOM   333  O OG  . SER   A 1 62  ? 36.877 15.671  17.418 1.00 29.75 ? 58   SER   A OG  1 
ATOM   334  N N   . HIS   A 1 63  ? 35.191 17.134  21.202 1.00 22.14 ? 59   HIS   A N   1 
ATOM   335  C CA  . HIS   A 1 63  ? 34.543 16.989  22.491 1.00 22.69 ? 59   HIS   A CA  1 
ATOM   336  C C   . HIS   A 1 63  ? 33.044 16.975  22.277 1.00 23.01 ? 59   HIS   A C   1 
ATOM   337  O O   . HIS   A 1 63  ? 32.545 17.323  21.205 1.00 23.76 ? 59   HIS   A O   1 
ATOM   338  C CB  . HIS   A 1 63  ? 34.978 18.095  23.478 1.00 22.25 ? 59   HIS   A CB  1 
ATOM   339  C CG  . HIS   A 1 63  ? 34.309 19.418  23.256 1.00 25.86 ? 59   HIS   A CG  1 
ATOM   340  N ND1 . HIS   A 1 63  ? 33.919 20.235  24.296 1.00 26.96 ? 59   HIS   A ND1 1 
ATOM   341  C CD2 . HIS   A 1 63  ? 33.967 20.069  22.117 1.00 26.00 ? 59   HIS   A CD2 1 
ATOM   342  C CE1 . HIS   A 1 63  ? 33.362 21.329  23.807 1.00 26.58 ? 59   HIS   A CE1 1 
ATOM   343  N NE2 . HIS   A 1 63  ? 33.374 21.251  22.488 1.00 26.56 ? 59   HIS   A NE2 1 
ATOM   344  N N   . LEU   A 1 64  ? 32.337 16.519  23.302 1.00 23.02 ? 60   LEU   A N   1 
ATOM   345  C CA  . LEU   A 1 64  ? 30.889 16.604  23.369 1.00 22.92 ? 60   LEU   A CA  1 
ATOM   346  C C   . LEU   A 1 64  ? 30.553 17.351  24.653 1.00 25.86 ? 60   LEU   A C   1 
ATOM   347  O O   . LEU   A 1 64  ? 30.895 16.894  25.749 1.00 22.58 ? 60   LEU   A O   1 
ATOM   348  C CB  . LEU   A 1 64  ? 30.253 15.217  23.341 1.00 21.73 ? 60   LEU   A CB  1 
ATOM   349  C CG  . LEU   A 1 64  ? 28.732 15.100  23.231 1.00 22.19 ? 60   LEU   A CG  1 
ATOM   350  C CD1 . LEU   A 1 64  ? 28.323 13.671  22.886 1.00 19.22 ? 60   LEU   A CD1 1 
ATOM   351  C CD2 . LEU   A 1 64  ? 28.054 15.524  24.508 1.00 21.94 ? 60   LEU   A CD2 1 
ATOM   352  N N   . LEU   A 1 65  ? 29.926 18.514  24.513 1.00 26.08 ? 61   LEU   A N   1 
ATOM   353  C CA  . LEU   A 1 65  ? 29.649 19.387  25.644 1.00 24.53 ? 61   LEU   A CA  1 
ATOM   354  C C   . LEU   A 1 65  ? 28.192 19.244  26.030 1.00 25.99 ? 61   LEU   A C   1 
ATOM   355  O O   . LEU   A 1 65  ? 27.314 19.289  25.166 1.00 26.88 ? 61   LEU   A O   1 
ATOM   356  C CB  . LEU   A 1 65  ? 29.956 20.847  25.304 1.00 26.94 ? 61   LEU   A CB  1 
ATOM   357  C CG  . LEU   A 1 65  ? 29.625 21.885  26.386 1.00 25.62 ? 61   LEU   A CG  1 
ATOM   358  C CD1 . LEU   A 1 65  ? 30.377 21.606  27.688 1.00 26.77 ? 61   LEU   A CD1 1 
ATOM   359  C CD2 . LEU   A 1 65  ? 29.949 23.294  25.879 1.00 28.28 ? 61   LEU   A CD2 1 
ATOM   360  N N   . VAL   A 1 66  ? 27.935 19.067  27.319 1.00 26.94 ? 62   VAL   A N   1 
ATOM   361  C CA  . VAL   A 1 66  ? 26.583 19.144  27.858 1.00 26.25 ? 62   VAL   A CA  1 
ATOM   362  C C   . VAL   A 1 66  ? 26.570 20.277  28.871 1.00 30.22 ? 62   VAL   A C   1 
ATOM   363  O O   . VAL   A 1 66  ? 27.305 20.236  29.870 1.00 26.72 ? 62   VAL   A O   1 
ATOM   364  C CB  . VAL   A 1 66  ? 26.125 17.822  28.483 1.00 25.73 ? 62   VAL   A CB  1 
ATOM   365  C CG1 . VAL   A 1 66  ? 24.760 18.000  29.124 1.00 29.43 ? 62   VAL   A CG1 1 
ATOM   366  C CG2 . VAL   A 1 66  ? 26.052 16.740  27.414 1.00 26.63 ? 62   VAL   A CG2 1 
ATOM   367  N N   . LYS   A 1 67  ? 25.781 21.309  28.583 1.00 28.68 ? 63   LYS   A N   1 
ATOM   368  C CA  . LYS   A 1 67  ? 25.667 22.486  29.429 1.00 30.88 ? 63   LYS   A CA  1 
ATOM   369  C C   . LYS   A 1 67  ? 24.578 22.283  30.479 1.00 30.13 ? 63   LYS   A C   1 
ATOM   370  O O   . LYS   A 1 67  ? 23.783 21.343  30.421 1.00 30.16 ? 63   LYS   A O   1 
ATOM   371  C CB  . LYS   A 1 67  ? 25.377 23.729  28.576 1.00 32.76 ? 63   LYS   A CB  1 
ATOM   372  C CG  . LYS   A 1 67  ? 26.594 24.225  27.776 1.00 31.97 ? 63   LYS   A CG  1 
ATOM   373  C CD  . LYS   A 1 67  ? 26.347 25.583  27.119 1.00 33.02 ? 63   LYS   A CD  1 
ATOM   374  C CE  . LYS   A 1 67  ? 27.664 26.195  26.638 1.00 37.38 ? 63   LYS   A CE  1 
ATOM   375  N NZ  . LYS   A 1 67  ? 27.528 27.556  26.014 1.00 38.90 ? 63   LYS   A NZ  1 
ATOM   376  N N   . HIS   A 1 68  ? 24.548 23.186  31.453 1.00 30.43 ? 64   HIS   A N   1 
ATOM   377  C CA  . HIS   A 1 68  ? 23.550 23.126  32.511 1.00 30.71 ? 64   HIS   A CA  1 
ATOM   378  C C   . HIS   A 1 68  ? 23.294 24.541  33.011 1.00 33.53 ? 64   HIS   A C   1 
ATOM   379  O O   . HIS   A 1 68  ? 23.957 25.495  32.597 1.00 31.05 ? 64   HIS   A O   1 
ATOM   380  C CB  . HIS   A 1 68  ? 24.018 22.203  33.633 1.00 30.59 ? 64   HIS   A CB  1 
ATOM   381  C CG  . HIS   A 1 68  ? 25.382 22.536  34.130 1.00 31.77 ? 64   HIS   A CG  1 
ATOM   382  N ND1 . HIS   A 1 68  ? 25.648 23.690  34.833 1.00 33.03 ? 64   HIS   A ND1 1 
ATOM   383  C CD2 . HIS   A 1 68  ? 26.563 21.888  34.006 1.00 32.47 ? 64   HIS   A CD2 1 
ATOM   384  C CE1 . HIS   A 1 68  ? 26.931 23.724  35.146 1.00 33.80 ? 64   HIS   A CE1 1 
ATOM   385  N NE2 . HIS   A 1 68  ? 27.511 22.648  34.649 1.00 31.02 ? 64   HIS   A NE2 1 
ATOM   386  N N   . SER   A 1 69  ? 22.326 24.676  33.923 1.00 33.03 ? 65   SER   A N   1 
ATOM   387  C CA  . SER   A 1 69  ? 21.901 26.011  34.337 1.00 34.70 ? 65   SER   A CA  1 
ATOM   388  C C   . SER   A 1 69  ? 23.036 26.839  34.937 1.00 34.51 ? 65   SER   A C   1 
ATOM   389  O O   . SER   A 1 69  ? 22.927 28.066  34.989 1.00 35.22 ? 65   SER   A O   1 
ATOM   390  C CB  . SER   A 1 69  ? 20.746 25.912  35.332 1.00 34.92 ? 65   SER   A CB  1 
ATOM   391  O OG  . SER   A 1 69  ? 21.144 25.199  36.489 1.00 35.49 ? 65   SER   A OG  1 
ATOM   392  N N   . GLN   A 1 70  ? 24.125 26.222  35.382 1.00 33.57 ? 66   GLN   A N   1 
ATOM   393  C CA  . GLN   A 1 70  ? 25.224 27.003  35.936 1.00 33.27 ? 66   GLN   A CA  1 
ATOM   394  C C   . GLN   A 1 70  ? 26.371 27.235  34.956 1.00 35.32 ? 66   GLN   A C   1 
ATOM   395  O O   . GLN   A 1 70  ? 27.377 27.839  35.347 1.00 34.38 ? 66   GLN   A O   1 
ATOM   396  C CB  . GLN   A 1 70  ? 25.747 26.350  37.222 1.00 36.81 ? 66   GLN   A CB  1 
ATOM   397  C CG  . GLN   A 1 70  ? 24.842 26.582  38.439 1.00 35.98 ? 66   GLN   A CG  1 
ATOM   398  C CD  . GLN   A 1 70  ? 25.460 26.092  39.752 1.00 44.55 ? 66   GLN   A CD  1 
ATOM   399  O OE1 . GLN   A 1 70  ? 26.305 26.767  40.348 1.00 41.48 ? 66   GLN   A OE1 1 
ATOM   400  N NE2 . GLN   A 1 70  ? 25.043 24.906  40.198 1.00 46.90 ? 66   GLN   A NE2 1 
ATOM   401  N N   . SER   A 1 71  ? 26.243 26.802  33.693 1.00 33.94 ? 67   SER   A N   1 
ATOM   402  C CA  . SER   A 1 71  ? 27.267 27.100  32.689 1.00 34.19 ? 67   SER   A CA  1 
ATOM   403  C C   . SER   A 1 71  ? 27.444 28.601  32.522 1.00 37.18 ? 67   SER   A C   1 
ATOM   404  O O   . SER   A 1 71  ? 26.489 29.375  32.620 1.00 39.49 ? 67   SER   A O   1 
ATOM   405  C CB  . SER   A 1 71  ? 26.904 26.493  31.327 1.00 32.88 ? 67   SER   A CB  1 
ATOM   406  O OG  . SER   A 1 71  ? 26.799 25.084  31.398 1.00 30.12 ? 67   SER   A OG  1 
ATOM   407  N N   . ARG   A 1 72  ? 28.680 29.008  32.224 1.00 39.63 ? 68   ARG   A N   1 
ATOM   408  C CA  . ARG   A 1 72  ? 28.961 30.425  32.016 1.00 39.38 ? 68   ARG   A CA  1 
ATOM   409  C C   . ARG   A 1 72  ? 27.936 31.066  31.092 1.00 43.60 ? 68   ARG   A C   1 
ATOM   410  O O   . ARG   A 1 72  ? 27.475 32.182  31.348 1.00 43.06 ? 68   ARG   A O   1 
ATOM   411  C CB  . ARG   A 1 72  ? 30.367 30.611  31.457 1.00 46.44 ? 68   ARG   A CB  1 
ATOM   412  C CG  . ARG   A 1 72  ? 30.769 32.069  31.325 1.00 52.89 ? 68   ARG   A CG  1 
ATOM   413  C CD  . ARG   A 1 72  ? 32.257 32.186  31.053 1.00 60.19 ? 68   ARG   A CD  1 
ATOM   414  N NE  . ARG   A 1 72  ? 32.664 31.288  29.979 1.00 60.86 ? 68   ARG   A NE  1 
ATOM   415  C CZ  . ARG   A 1 72  ? 33.908 30.874  29.776 1.00 62.09 ? 68   ARG   A CZ  1 
ATOM   416  N NH1 . ARG   A 1 72  ? 34.899 31.241  30.574 1.00 66.88 ? 68   ARG   A NH1 1 
ATOM   417  N NH2 . ARG   A 1 72  ? 34.164 30.069  28.748 1.00 61.65 ? 68   ARG   A NH2 1 
ATOM   418  N N   . ARG   A 1 73  ? 27.566 30.381  30.011 1.00 41.99 ? 69   ARG   A N   1 
ATOM   419  C CA  . ARG   A 1 73  ? 26.514 30.846  29.108 1.00 40.84 ? 69   ARG   A CA  1 
ATOM   420  C C   . ARG   A 1 73  ? 25.509 29.714  28.963 1.00 39.98 ? 69   ARG   A C   1 
ATOM   421  O O   . ARG   A 1 73  ? 25.717 28.787  28.163 1.00 39.66 ? 69   ARG   A O   1 
ATOM   422  C CB  . ARG   A 1 73  ? 27.074 31.262  27.750 1.00 43.45 ? 69   ARG   A CB  1 
ATOM   423  C CG  . ARG   A 1 73  ? 28.179 32.315  27.797 1.00 46.73 ? 69   ARG   A CG  1 
ATOM   424  C CD  . ARG   A 1 73  ? 28.672 32.631  26.396 1.00 51.11 ? 69   ARG   A CD  1 
ATOM   425  N NE  . ARG   A 1 73  ? 28.818 31.406  25.616 1.00 59.54 ? 69   ARG   A NE  1 
ATOM   426  C CZ  . ARG   A 1 73  ? 29.140 31.354  24.329 1.00 63.35 ? 69   ARG   A CZ  1 
ATOM   427  N NH1 . ARG   A 1 73  ? 29.385 32.454  23.632 1.00 63.77 ? 69   ARG   A NH1 1 
ATOM   428  N NH2 . ARG   A 1 73  ? 29.215 30.167  23.725 1.00 61.22 ? 69   ARG   A NH2 1 
ATOM   429  N N   . PRO   A 1 74  ? 24.399 29.751  29.726 1.00 37.28 ? 70   PRO   A N   1 
ATOM   430  C CA  . PRO   A 1 74  ? 23.424 28.651  29.686 1.00 36.16 ? 70   PRO   A CA  1 
ATOM   431  C C   . PRO   A 1 74  ? 22.537 28.685  28.447 1.00 36.69 ? 70   PRO   A C   1 
ATOM   432  O O   . PRO   A 1 74  ? 21.304 28.658  28.547 1.00 32.05 ? 70   PRO   A O   1 
ATOM   433  C CB  . PRO   A 1 74  ? 22.614 28.860  30.972 1.00 38.29 ? 70   PRO   A CB  1 
ATOM   434  C CG  . PRO   A 1 74  ? 22.683 30.332  31.219 1.00 35.67 ? 70   PRO   A CG  1 
ATOM   435  C CD  . PRO   A 1 74  ? 24.029 30.792  30.705 1.00 39.03 ? 70   PRO   A CD  1 
ATOM   436  N N   . SER   A 1 75  ? 23.171 28.717  27.274 1.00 35.61 ? 71   SER   A N   1 
ATOM   437  C CA  . SER   A 1 75  ? 22.487 28.779  25.991 1.00 30.94 ? 71   SER   A CA  1 
ATOM   438  C C   . SER   A 1 75  ? 23.332 28.037  24.970 1.00 34.41 ? 71   SER   A C   1 
ATOM   439  O O   . SER   A 1 75  ? 24.560 28.031  25.070 1.00 33.90 ? 71   SER   A O   1 
ATOM   440  C CB  . SER   A 1 75  ? 22.288 30.230  25.544 1.00 34.76 ? 71   SER   A CB  1 
ATOM   441  O OG  . SER   A 1 75  ? 21.320 30.333  24.514 1.00 39.12 ? 71   SER   A OG  1 
ATOM   442  N N   . SER   A 1 76  ? 22.675 27.416  23.985 1.00 34.47 ? 72   SER   A N   1 
ATOM   443  C CA  . SER   A 1 76  ? 23.382 26.705  22.923 1.00 35.25 ? 72   SER   A CA  1 
ATOM   444  C C   . SER   A 1 76  ? 22.570 26.753  21.634 1.00 34.25 ? 72   SER   A C   1 
ATOM   445  O O   . SER   A 1 76  ? 21.376 27.061  21.639 1.00 34.99 ? 72   SER   A O   1 
ATOM   446  C CB  . SER   A 1 76  ? 23.648 25.242  23.293 1.00 31.28 ? 72   SER   A CB  1 
ATOM   447  O OG  . SER   A 1 76  ? 22.489 24.452  23.056 1.00 30.76 ? 72   SER   A OG  1 
ATOM   448  N N   . TRP   A 1 77  ? 23.235 26.402  20.523 1.00 35.20 ? 73   TRP   A N   1 
ATOM   449  C CA  . TRP   A 1 77  ? 22.544 26.293  19.238 1.00 34.12 ? 73   TRP   A CA  1 
ATOM   450  C C   . TRP   A 1 77  ? 21.322 25.390  19.336 1.00 33.48 ? 73   TRP   A C   1 
ATOM   451  O O   . TRP   A 1 77  ? 20.336 25.605  18.627 1.00 37.52 ? 73   TRP   A O   1 
ATOM   452  C CB  . TRP   A 1 77  ? 23.505 25.777  18.151 1.00 37.02 ? 73   TRP   A CB  1 
ATOM   453  C CG  . TRP   A 1 77  ? 23.879 24.316  18.281 1.00 34.03 ? 73   TRP   A CG  1 
ATOM   454  C CD1 . TRP   A 1 77  ? 24.933 23.802  18.979 1.00 36.15 ? 73   TRP   A CD1 1 
ATOM   455  C CD2 . TRP   A 1 77  ? 23.195 23.189  17.704 1.00 38.52 ? 73   TRP   A CD2 1 
ATOM   456  N NE1 . TRP   A 1 77  ? 24.946 22.431  18.874 1.00 33.43 ? 73   TRP   A NE1 1 
ATOM   457  C CE2 . TRP   A 1 77  ? 23.892 22.029  18.098 1.00 33.53 ? 73   TRP   A CE2 1 
ATOM   458  C CE3 . TRP   A 1 77  ? 22.061 23.049  16.888 1.00 38.92 ? 73   TRP   A CE3 1 
ATOM   459  C CZ2 . TRP   A 1 77  ? 23.495 20.746  17.707 1.00 33.77 ? 73   TRP   A CZ2 1 
ATOM   460  C CZ3 . TRP   A 1 77  ? 21.666 21.770  16.502 1.00 36.44 ? 73   TRP   A CZ3 1 
ATOM   461  C CH2 . TRP   A 1 77  ? 22.380 20.639  16.917 1.00 34.87 ? 73   TRP   A CH2 1 
ATOM   462  N N   . ARG   A 1 78  ? 21.358 24.392  20.225 1.00 34.06 ? 74   ARG   A N   1 
ATOM   463  C CA  . ARG   A 1 78  ? 20.256 23.448  20.380 1.00 35.69 ? 74   ARG   A CA  1 
ATOM   464  C C   . ARG   A 1 78  ? 19.116 24.001  21.219 1.00 38.12 ? 74   ARG   A C   1 
ATOM   465  O O   . ARG   A 1 78  ? 17.967 23.578  21.047 1.00 35.66 ? 74   ARG   A O   1 
ATOM   466  C CB  . ARG   A 1 78  ? 20.716 22.155  21.071 1.00 37.30 ? 74   ARG   A CB  1 
ATOM   467  C CG  . ARG   A 1 78  ? 21.999 21.528  20.594 1.00 37.88 ? 74   ARG   A CG  1 
ATOM   468  C CD  . ARG   A 1 78  ? 22.210 20.188  21.299 1.00 34.54 ? 74   ARG   A CD  1 
ATOM   469  N NE  . ARG   A 1 78  ? 21.179 19.225  20.931 1.00 36.88 ? 74   ARG   A NE  1 
ATOM   470  C CZ  . ARG   A 1 78  ? 20.258 18.744  21.755 1.00 40.87 ? 74   ARG   A CZ  1 
ATOM   471  N NH1 . ARG   A 1 78  ? 20.238 19.071  23.045 1.00 42.85 ? 74   ARG   A NH1 1 
ATOM   472  N NH2 . ARG   A 1 78  ? 19.337 17.906  21.278 1.00 41.27 ? 74   ARG   A NH2 1 
ATOM   473  N N   . GLN   A 1 79  ? 19.408 24.888  22.166 1.00 34.36 ? 75   GLN   A N   1 
ATOM   474  C CA  . GLN   A 1 79  ? 18.409 25.246  23.169 1.00 34.34 ? 75   GLN   A CA  1 
ATOM   475  C C   . GLN   A 1 79  ? 18.715 26.645  23.663 1.00 39.54 ? 75   GLN   A C   1 
ATOM   476  O O   . GLN   A 1 79  ? 19.798 26.874  24.219 1.00 39.24 ? 75   GLN   A O   1 
ATOM   477  C CB  . GLN   A 1 79  ? 18.437 24.255  24.320 1.00 33.64 ? 75   GLN   A CB  1 
ATOM   478  C CG  . GLN   A 1 79  ? 17.277 24.347  25.265 1.00 37.53 ? 75   GLN   A CG  1 
ATOM   479  C CD  . GLN   A 1 79  ? 17.384 23.314  26.376 1.00 42.29 ? 75   GLN   A CD  1 
ATOM   480  O OE1 . GLN   A 1 79  ? 18.489 22.930  26.779 1.00 40.81 ? 75   GLN   A OE1 1 
ATOM   481  N NE2 . GLN   A 1 79  ? 16.240 22.846  26.865 1.00 43.85 ? 75   GLN   A NE2 1 
ATOM   482  N N   . GLU   A 1 80  ? 17.767 27.568  23.471 1.00 40.50 ? 76   GLU   A N   1 
ATOM   483  C CA  . GLU   A 1 80  ? 17.996 28.964  23.836 1.00 37.95 ? 76   GLU   A CA  1 
ATOM   484  C C   . GLU   A 1 80  ? 18.227 29.118  25.336 1.00 37.10 ? 76   GLU   A C   1 
ATOM   485  O O   . GLU   A 1 80  ? 19.180 29.780  25.758 1.00 36.77 ? 76   GLU   A O   1 
ATOM   486  C CB  . GLU   A 1 80  ? 16.823 29.830  23.384 1.00 37.28 ? 76   GLU   A CB  1 
ATOM   487  C CG  . GLU   A 1 80  ? 17.122 31.310  23.547 1.00 39.48 ? 76   GLU   A CG  1 
ATOM   488  C CD  . GLU   A 1 80  ? 16.299 32.199  22.632 1.00 38.45 ? 76   GLU   A CD  1 
ATOM   489  O OE1 . GLU   A 1 80  ? 15.208 31.773  22.193 1.00 36.23 ? 76   GLU   A OE1 1 
ATOM   490  O OE2 . GLU   A 1 80  ? 16.762 33.331  22.354 1.00 39.44 ? 76   GLU   A OE2 1 
ATOM   491  N N   . LYS   A 1 81  ? 17.361 28.517  26.156 1.00 34.75 ? 77   LYS   A N   1 
ATOM   492  C CA  . LYS   A 1 81  ? 17.443 28.586  27.616 1.00 39.09 ? 77   LYS   A CA  1 
ATOM   493  C C   . LYS   A 1 81  ? 17.735 27.181  28.142 1.00 39.79 ? 77   LYS   A C   1 
ATOM   494  O O   . LYS   A 1 81  ? 16.842 26.328  28.197 1.00 41.75 ? 77   LYS   A O   1 
ATOM   495  C CB  . LYS   A 1 81  ? 16.145 29.143  28.208 1.00 40.50 ? 77   LYS   A CB  1 
ATOM   496  C CG  . LYS   A 1 81  ? 16.118 29.228  29.738 1.00 45.98 ? 77   LYS   A CG  1 
ATOM   497  C CD  . LYS   A 1 81  ? 14.743 29.667  30.255 1.00 43.86 ? 77   LYS   A CD  1 
ATOM   498  C CE  . LYS   A 1 81  ? 14.724 29.755  31.789 1.00 46.12 ? 77   LYS   A CE  1 
ATOM   499  N NZ  . LYS   A 1 81  ? 15.839 30.577  32.348 1.00 41.98 ? 77   LYS   A NZ  1 
ATOM   500  N N   . ILE   A 1 82  ? 18.979 26.942  28.536 1.00 37.83 ? 78   ILE   A N   1 
ATOM   501  C CA  . ILE   A 1 82  ? 19.353 25.642  29.081 1.00 36.55 ? 78   ILE   A CA  1 
ATOM   502  C C   . ILE   A 1 82  ? 18.986 25.608  30.556 1.00 35.63 ? 78   ILE   A C   1 
ATOM   503  O O   . ILE   A 1 82  ? 19.476 26.414  31.354 1.00 36.24 ? 78   ILE   A O   1 
ATOM   504  C CB  . ILE   A 1 82  ? 20.843 25.358  28.871 1.00 35.43 ? 78   ILE   A CB  1 
ATOM   505  C CG1 . ILE   A 1 82  ? 21.143 25.356  27.366 1.00 35.99 ? 78   ILE   A CG1 1 
ATOM   506  C CG2 . ILE   A 1 82  ? 21.226 24.033  29.534 1.00 33.55 ? 78   ILE   A CG2 1 
ATOM   507  C CD1 . ILE   A 1 82  ? 22.359 24.613  26.982 1.00 33.10 ? 78   ILE   A CD1 1 
ATOM   508  N N   . THR   A 1 83  ? 18.134 24.666  30.925 1.00 35.03 ? 79   THR   A N   1 
ATOM   509  C CA  . THR   A 1 83  ? 17.589 24.619  32.267 1.00 37.71 ? 79   THR   A CA  1 
ATOM   510  C C   . THR   A 1 83  ? 18.036 23.403  33.072 1.00 40.46 ? 79   THR   A C   1 
ATOM   511  O O   . THR   A 1 83  ? 17.901 23.414  34.301 1.00 36.26 ? 79   THR   A O   1 
ATOM   512  C CB  . THR   A 1 83  ? 16.058 24.658  32.186 1.00 36.88 ? 79   THR   A CB  1 
ATOM   513  O OG1 . THR   A 1 83  ? 15.598 23.589  31.348 1.00 39.59 ? 79   THR   A OG1 1 
ATOM   514  C CG2 . THR   A 1 83  ? 15.615 25.969  31.560 1.00 39.59 ? 79   THR   A CG2 1 
ATOM   515  N N   . ARG   A 1 84  ? 18.586 22.375  32.421 1.00 35.76 ? 80   ARG   A N   1 
ATOM   516  C CA  . ARG   A 1 84  ? 18.928 21.150  33.129 1.00 33.94 ? 80   ARG   A CA  1 
ATOM   517  C C   . ARG   A 1 84  ? 19.943 21.425  34.237 1.00 32.69 ? 80   ARG   A C   1 
ATOM   518  O O   . ARG   A 1 84  ? 20.830 22.275  34.104 1.00 31.97 ? 80   ARG   A O   1 
ATOM   519  C CB  . ARG   A 1 84  ? 19.478 20.103  32.157 1.00 33.76 ? 80   ARG   A CB  1 
ATOM   520  C CG  . ARG   A 1 84  ? 20.885 20.372  31.642 1.00 31.37 ? 80   ARG   A CG  1 
ATOM   521  C CD  . ARG   A 1 84  ? 21.359 19.214  30.756 1.00 30.07 ? 80   ARG   A CD  1 
ATOM   522  N NE  . ARG   A 1 84  ? 20.635 19.144  29.491 1.00 26.86 ? 80   ARG   A NE  1 
ATOM   523  C CZ  . ARG   A 1 84  ? 21.010 19.779  28.388 1.00 31.91 ? 80   ARG   A CZ  1 
ATOM   524  N NH1 . ARG   A 1 84  ? 22.084 20.557  28.370 1.00 28.52 ? 80   ARG   A NH1 1 
ATOM   525  N NH2 . ARG   A 1 84  ? 20.296 19.624  27.270 1.00 31.35 ? 80   ARG   A NH2 1 
ATOM   526  N N   . THR   A 1 85  ? 19.805 20.689  35.341 1.00 31.95 ? 81   THR   A N   1 
ATOM   527  C CA  . THR   A 1 85  ? 20.737 20.820  36.449 1.00 31.41 ? 81   THR   A CA  1 
ATOM   528  C C   . THR   A 1 85  ? 22.086 20.205  36.088 1.00 33.09 ? 81   THR   A C   1 
ATOM   529  O O   . THR   A 1 85  ? 22.200 19.355  35.202 1.00 28.08 ? 81   THR   A O   1 
ATOM   530  C CB  . THR   A 1 85  ? 20.193 20.141  37.715 1.00 32.24 ? 81   THR   A CB  1 
ATOM   531  O OG1 . THR   A 1 85  ? 20.010 18.734  37.488 1.00 31.01 ? 81   THR   A OG1 1 
ATOM   532  C CG2 . THR   A 1 85  ? 18.866 20.759  38.138 1.00 36.04 ? 81   THR   A CG2 1 
ATOM   533  N N   . LYS   A 1 86  ? 23.119 20.633  36.810 1.00 31.12 ? 82   LYS   A N   1 
ATOM   534  C CA  . LYS   A 1 86  ? 24.419 19.991  36.670 1.00 33.98 ? 82   LYS   A CA  1 
ATOM   535  C C   . LYS   A 1 86  ? 24.316 18.474  36.854 1.00 32.26 ? 82   LYS   A C   1 
ATOM   536  O O   . LYS   A 1 86  ? 25.016 17.709  36.178 1.00 32.69 ? 82   LYS   A O   1 
ATOM   537  C CB  . LYS   A 1 86  ? 25.408 20.595  37.671 1.00 35.63 ? 82   LYS   A CB  1 
ATOM   538  C CG  . LYS   A 1 86  ? 26.861 20.245  37.376 1.00 41.26 ? 82   LYS   A CG  1 
ATOM   539  C CD  . LYS   A 1 86  ? 27.796 20.464  38.583 1.00 44.92 ? 82   LYS   A CD  1 
ATOM   540  C CE  . LYS   A 1 86  ? 27.772 21.898  39.106 1.00 41.38 ? 82   LYS   A CE  1 
ATOM   541  N NZ  . LYS   A 1 86  ? 29.087 22.184  39.731 1.00 39.88 ? 82   LYS   A NZ  1 
ATOM   542  N N   . GLU   A 1 87  ? 23.447 18.015  37.763 1.00 30.42 ? 83   GLU   A N   1 
ATOM   543  C CA  . GLU   A 1 87  ? 23.336 16.573  37.984 1.00 30.96 ? 83   GLU   A CA  1 
ATOM   544  C C   . GLU   A 1 87  ? 22.671 15.896  36.795 1.00 30.93 ? 83   GLU   A C   1 
ATOM   545  O O   . GLU   A 1 87  ? 23.037 14.776  36.427 1.00 27.24 ? 83   GLU   A O   1 
ATOM   546  C CB  . GLU   A 1 87  ? 22.555 16.269  39.268 1.00 29.36 ? 83   GLU   A CB  1 
ATOM   547  C CG  . GLU   A 1 87  ? 23.232 16.726  40.569 1.00 37.12 ? 83   GLU   A CG  1 
ATOM   548  C CD  . GLU   A 1 87  ? 23.316 18.258  40.725 1.00 44.33 ? 83   GLU   A CD  1 
ATOM   549  O OE1 . GLU   A 1 87  ? 22.465 18.989  40.156 1.00 39.80 ? 83   GLU   A OE1 1 
ATOM   550  O OE2 . GLU   A 1 87  ? 24.255 18.730  41.412 1.00 47.65 ? 83   GLU   A OE2 1 
ATOM   551  N N   . GLU   A 1 88  ? 21.675 16.558  36.197 1.00 30.18 ? 84   GLU   A N   1 
ATOM   552  C CA  . GLU   A 1 88  ? 21.051 16.026  34.987 1.00 32.96 ? 84   GLU   A CA  1 
ATOM   553  C C   . GLU   A 1 88  ? 22.031 16.026  33.820 1.00 31.07 ? 84   GLU   A C   1 
ATOM   554  O O   . GLU   A 1 88  ? 22.047 15.090  33.010 1.00 31.94 ? 84   GLU   A O   1 
ATOM   555  C CB  . GLU   A 1 88  ? 19.804 16.840  34.640 1.00 31.95 ? 84   GLU   A CB  1 
ATOM   556  C CG  . GLU   A 1 88  ? 18.633 16.584  35.575 1.00 34.04 ? 84   GLU   A CG  1 
ATOM   557  C CD  . GLU   A 1 88  ? 17.524 17.602  35.425 1.00 36.32 ? 84   GLU   A CD  1 
ATOM   558  O OE1 . GLU   A 1 88  ? 17.780 18.715  34.920 1.00 33.55 ? 84   GLU   A OE1 1 
ATOM   559  O OE2 . GLU   A 1 88  ? 16.387 17.287  35.821 1.00 41.24 ? 84   GLU   A OE2 1 
ATOM   560  N N   . ALA   A 1 89  ? 22.857 17.066  33.719 1.00 29.09 ? 85   ALA   A N   1 
ATOM   561  C CA  . ALA   A 1 89  ? 23.881 17.090  32.681 1.00 27.55 ? 85   ALA   A CA  1 
ATOM   562  C C   . ALA   A 1 89  ? 24.870 15.941  32.860 1.00 29.05 ? 85   ALA   A C   1 
ATOM   563  O O   . ALA   A 1 89  ? 25.227 15.257  31.888 1.00 27.70 ? 85   ALA   A O   1 
ATOM   564  C CB  . ALA   A 1 89  ? 24.601 18.437  32.694 1.00 27.15 ? 85   ALA   A CB  1 
ATOM   565  N N   . LEU   A 1 90  ? 25.317 15.703  34.098 1.00 28.21 ? 86   LEU   A N   1 
ATOM   566  C CA  . LEU   A 1 90  ? 26.248 14.605  34.330 1.00 25.94 ? 86   LEU   A CA  1 
ATOM   567  C C   . LEU   A 1 90  ? 25.617 13.266  33.971 1.00 28.46 ? 86   LEU   A C   1 
ATOM   568  O O   . LEU   A 1 90  ? 26.299 12.378  33.455 1.00 26.99 ? 86   LEU   A O   1 
ATOM   569  C CB  . LEU   A 1 90  ? 26.734 14.604  35.777 1.00 25.44 ? 86   LEU   A CB  1 
ATOM   570  C CG  . LEU   A 1 90  ? 27.671 13.457  36.196 1.00 27.63 ? 86   LEU   A CG  1 
ATOM   571  C CD1 . LEU   A 1 90  ? 28.892 13.331  35.272 1.00 23.46 ? 86   LEU   A CD1 1 
ATOM   572  C CD2 . LEU   A 1 90  ? 28.120 13.644  37.647 1.00 27.26 ? 86   LEU   A CD2 1 
ATOM   573  N N   . GLU   A 1 91  ? 24.317 13.091  34.236 1.00 27.79 ? 87   GLU   A N   1 
ATOM   574  C CA  . GLU   A 1 91  ? 23.676 11.830  33.864 1.00 29.19 ? 87   GLU   A CA  1 
ATOM   575  C C   . GLU   A 1 91  ? 23.596 11.659  32.347 1.00 28.11 ? 87   GLU   A C   1 
ATOM   576  O O   . GLU   A 1 91  ? 23.756 10.542  31.836 1.00 24.94 ? 87   GLU   A O   1 
ATOM   577  C CB  . GLU   A 1 91  ? 22.294 11.726  34.506 1.00 36.42 ? 87   GLU   A CB  1 
ATOM   578  C CG  . GLU   A 1 91  ? 22.389 11.324  35.995 1.00 46.35 ? 87   GLU   A CG  1 
ATOM   579  C CD  . GLU   A 1 91  ? 21.137 11.653  36.810 1.00 56.02 ? 87   GLU   A CD  1 
ATOM   580  O OE1 . GLU   A 1 91  ? 20.212 12.314  36.266 1.00 53.90 ? 87   GLU   A OE1 1 
ATOM   581  O OE2 . GLU   A 1 91  ? 21.087 11.253  38.002 1.00 57.15 ? 87   GLU   A OE2 1 
ATOM   582  N N   . LEU   A 1 92  ? 23.352 12.745  31.608 1.00 22.98 ? 88   LEU   A N   1 
ATOM   583  C CA  . LEU   A 1 92  ? 23.366 12.651  30.154 1.00 24.82 ? 88   LEU   A CA  1 
ATOM   584  C C   . LEU   A 1 92  ? 24.752 12.273  29.649 1.00 24.91 ? 88   LEU   A C   1 
ATOM   585  O O   . LEU   A 1 92  ? 24.898 11.403  28.781 1.00 22.93 ? 88   LEU   A O   1 
ATOM   586  C CB  . LEU   A 1 92  ? 22.909 13.973  29.534 1.00 24.27 ? 88   LEU   A CB  1 
ATOM   587  C CG  . LEU   A 1 92  ? 21.410 14.282  29.644 1.00 29.54 ? 88   LEU   A CG  1 
ATOM   588  C CD1 . LEU   A 1 92  ? 21.107 15.782  29.473 1.00 28.57 ? 88   LEU   A CD1 1 
ATOM   589  C CD2 . LEU   A 1 92  ? 20.614 13.478  28.627 1.00 26.30 ? 88   LEU   A CD2 1 
ATOM   590  N N   . ILE   A 1 93  ? 25.783 12.934  30.175 1.00 23.12 ? 89   ILE   A N   1 
ATOM   591  C CA  . ILE   A 1 93  ? 27.154 12.609  29.799 1.00 23.99 ? 89   ILE   A CA  1 
ATOM   592  C C   . ILE   A 1 93  ? 27.444 11.133  30.070 1.00 25.50 ? 89   ILE   A C   1 
ATOM   593  O O   . ILE   A 1 93  ? 28.006 10.424  29.223 1.00 22.27 ? 89   ILE   A O   1 
ATOM   594  C CB  . ILE   A 1 93  ? 28.129 13.542  30.543 1.00 22.99 ? 89   ILE   A CB  1 
ATOM   595  C CG1 . ILE   A 1 93  ? 28.119 14.942  29.905 1.00 24.29 ? 89   ILE   A CG1 1 
ATOM   596  C CG2 . ILE   A 1 93  ? 29.542 12.942  30.604 1.00 22.38 ? 89   ILE   A CG2 1 
ATOM   597  C CD1 . ILE   A 1 93  ? 28.988 15.082  28.641 1.00 22.67 ? 89   ILE   A CD1 1 
ATOM   598  N N   . ASN   A 1 94  ? 27.037 10.641  31.243 1.00 23.20 ? 90   ASN   A N   1 
ATOM   599  C CA  . ASN   A 1 94  ? 27.297 9.249   31.589 1.00 23.30 ? 90   ASN   A CA  1 
ATOM   600  C C   . ASN   A 1 94  ? 26.618 8.295   30.617 1.00 24.77 ? 90   ASN   A C   1 
ATOM   601  O O   . ASN   A 1 94  ? 27.204 7.280   30.228 1.00 24.51 ? 90   ASN   A O   1 
ATOM   602  C CB  . ASN   A 1 94  ? 26.847 8.985   33.021 1.00 22.83 ? 90   ASN   A CB  1 
ATOM   603  C CG  . ASN   A 1 94  ? 27.814 9.545   34.035 1.00 28.15 ? 90   ASN   A CG  1 
ATOM   604  O OD1 . ASN   A 1 94  ? 29.015 9.631   33.780 1.00 32.15 ? 90   ASN   A OD1 1 
ATOM   605  N ND2 . ASN   A 1 94  ? 27.306 9.906   35.198 1.00 31.28 ? 90   ASN   A ND2 1 
ATOM   606  N N   . GLY   A 1 95  ? 25.390 8.612   30.197 1.00 24.07 ? 91   GLY   A N   1 
ATOM   607  C CA  . GLY   A 1 95  ? 24.728 7.780   29.203 1.00 23.69 ? 91   GLY   A CA  1 
ATOM   608  C C   . GLY   A 1 95  ? 25.459 7.769   27.874 1.00 28.35 ? 91   GLY   A C   1 
ATOM   609  O O   . GLY   A 1 95  ? 25.605 6.717   27.239 1.00 25.25 ? 91   GLY   A O   1 
ATOM   610  N N   . TYR   A 1 96  ? 25.929 8.940   27.426 1.00 25.07 ? 92   TYR   A N   1 
ATOM   611  C CA  . TYR   A 1 96  ? 26.638 9.013   26.154 1.00 26.07 ? 92   TYR   A CA  1 
ATOM   612  C C   . TYR   A 1 96  ? 27.924 8.206   26.210 1.00 24.14 ? 92   TYR   A C   1 
ATOM   613  O O   . TYR   A 1 96  ? 28.245 7.454   25.282 1.00 24.92 ? 92   TYR   A O   1 
ATOM   614  C CB  . TYR   A 1 96  ? 26.958 10.467  25.796 1.00 23.49 ? 92   TYR   A CB  1 
ATOM   615  C CG  . TYR   A 1 96  ? 25.759 11.366  25.565 1.00 26.62 ? 92   TYR   A CG  1 
ATOM   616  C CD1 . TYR   A 1 96  ? 24.584 10.880  24.992 1.00 27.52 ? 92   TYR   A CD1 1 
ATOM   617  C CD2 . TYR   A 1 96  ? 25.812 12.711  25.918 1.00 24.91 ? 92   TYR   A CD2 1 
ATOM   618  C CE1 . TYR   A 1 96  ? 23.495 11.715  24.787 1.00 29.45 ? 92   TYR   A CE1 1 
ATOM   619  C CE2 . TYR   A 1 96  ? 24.742 13.545  25.711 1.00 26.42 ? 92   TYR   A CE2 1 
ATOM   620  C CZ  . TYR   A 1 96  ? 23.587 13.048  25.151 1.00 29.00 ? 92   TYR   A CZ  1 
ATOM   621  O OH  . TYR   A 1 96  ? 22.522 13.895  24.971 1.00 27.50 ? 92   TYR   A OH  1 
ATOM   622  N N   . ILE   A 1 97  ? 28.696 8.377   27.286 1.00 24.19 ? 93   ILE   A N   1 
ATOM   623  C CA  . ILE   A 1 97  ? 29.909 7.585   27.458 1.00 21.54 ? 93   ILE   A CA  1 
ATOM   624  C C   . ILE   A 1 97  ? 29.570 6.100   27.380 1.00 25.17 ? 93   ILE   A C   1 
ATOM   625  O O   . ILE   A 1 97  ? 30.243 5.328   26.687 1.00 22.92 ? 93   ILE   A O   1 
ATOM   626  C CB  . ILE   A 1 97  ? 30.609 7.954   28.779 1.00 22.24 ? 93   ILE   A CB  1 
ATOM   627  C CG1 . ILE   A 1 97  ? 31.182 9.372   28.680 1.00 21.98 ? 93   ILE   A CG1 1 
ATOM   628  C CG2 . ILE   A 1 97  ? 31.692 6.932   29.139 1.00 21.96 ? 93   ILE   A CG2 1 
ATOM   629  C CD1 . ILE   A 1 97  ? 31.785 9.879   29.990 1.00 25.30 ? 93   ILE   A CD1 1 
ATOM   630  N N   . GLN   A 1 98  ? 28.490 5.685   28.052 1.00 21.86 ? 94   GLN   A N   1 
ATOM   631  C CA  . GLN   A 1 98  ? 28.100 4.279   27.981 1.00 26.34 ? 94   GLN   A CA  1 
ATOM   632  C C   . GLN   A 1 98  ? 27.901 3.838   26.536 1.00 26.92 ? 94   GLN   A C   1 
ATOM   633  O O   . GLN   A 1 98  ? 28.450 2.818   26.106 1.00 26.74 ? 94   GLN   A O   1 
ATOM   634  C CB  . GLN   A 1 98  ? 26.819 4.027   28.780 1.00 27.36 ? 94   GLN   A CB  1 
ATOM   635  C CG  . GLN   A 1 98  ? 26.968 4.073   30.283 1.00 29.91 ? 94   GLN   A CG  1 
ATOM   636  C CD  . GLN   A 1 98  ? 25.733 3.493   30.983 1.00 35.34 ? 94   GLN   A CD  1 
ATOM   637  O OE1 . GLN   A 1 98  ? 24.612 3.570   30.469 1.00 38.39 ? 94   GLN   A OE1 1 
ATOM   638  N NE2 . GLN   A 1 98  ? 25.945 2.879   32.139 1.00 36.52 ? 94   GLN   A NE2 1 
ATOM   639  N N   . LYS   A 1 99  ? 27.082 4.570   25.777 1.00 26.91 ? 95   LYS   A N   1 
ATOM   640  C CA  . LYS   A 1 99  ? 26.776 4.127   24.422 1.00 27.59 ? 95   LYS   A CA  1 
ATOM   641  C C   . LYS   A 1 99  ? 27.997 4.211   23.522 1.00 27.97 ? 95   LYS   A C   1 
ATOM   642  O O   . LYS   A 1 99  ? 28.122 3.426   22.571 1.00 28.05 ? 95   LYS   A O   1 
ATOM   643  C CB  . LYS   A 1 99  ? 25.623 4.944   23.831 1.00 32.01 ? 95   LYS   A CB  1 
ATOM   644  C CG  . LYS   A 1 99  ? 24.297 4.778   24.583 1.00 37.24 ? 95   LYS   A CG  1 
ATOM   645  C CD  . LYS   A 1 99  ? 23.139 5.506   23.886 1.00 43.83 ? 95   LYS   A CD  1 
ATOM   646  C CE  . LYS   A 1 99  ? 22.115 6.053   24.920 1.00 51.81 ? 95   LYS   A CE  1 
ATOM   647  N NZ  . LYS   A 1 99  ? 22.536 7.329   25.658 1.00 43.71 ? 95   LYS   A NZ  1 
ATOM   648  N N   . ILE   A 1 100 ? 28.901 5.153   23.794 1.00 23.33 ? 96   ILE   A N   1 
ATOM   649  C CA  . ILE   A 1 100 ? 30.130 5.223   23.011 1.00 25.78 ? 96   ILE   A CA  1 
ATOM   650  C C   . ILE   A 1 100 ? 31.011 4.027   23.328 1.00 25.69 ? 96   ILE   A C   1 
ATOM   651  O O   . ILE   A 1 100 ? 31.592 3.405   22.431 1.00 23.91 ? 96   ILE   A O   1 
ATOM   652  C CB  . ILE   A 1 100 ? 30.868 6.549   23.279 1.00 26.36 ? 96   ILE   A CB  1 
ATOM   653  C CG1 . ILE   A 1 100 ? 30.078 7.733   22.697 1.00 24.45 ? 96   ILE   A CG1 1 
ATOM   654  C CG2 . ILE   A 1 100 ? 32.317 6.500   22.741 1.00 21.35 ? 96   ILE   A CG2 1 
ATOM   655  C CD1 . ILE   A 1 100 ? 30.570 9.090   23.199 1.00 24.34 ? 96   ILE   A CD1 1 
ATOM   656  N N   . LYS   A 1 101 ? 31.122 3.681   24.611 1.00 21.89 ? 97   LYS   A N   1 
ATOM   657  C CA  . LYS   A 1 101 ? 32.002 2.577   24.981 1.00 24.98 ? 97   LYS   A CA  1 
ATOM   658  C C   . LYS   A 1 101 ? 31.451 1.243   24.487 1.00 26.66 ? 97   LYS   A C   1 
ATOM   659  O O   . LYS   A 1 101 ? 32.220 0.353   24.103 1.00 24.98 ? 97   LYS   A O   1 
ATOM   660  C CB  . LYS   A 1 101 ? 32.223 2.552   26.492 1.00 24.33 ? 97   LYS   A CB  1 
ATOM   661  C CG  . LYS   A 1 101 ? 33.180 3.617   27.018 1.00 25.26 ? 97   LYS   A CG  1 
ATOM   662  C CD  . LYS   A 1 101 ? 33.816 3.148   28.320 1.00 29.83 ? 97   LYS   A CD  1 
ATOM   663  C CE  . LYS   A 1 101 ? 34.657 4.239   28.967 1.00 29.83 ? 97   LYS   A CE  1 
ATOM   664  N NZ  . LYS   A 1 101 ? 35.215 3.803   30.278 1.00 31.10 ? 97   LYS   A NZ  1 
ATOM   665  N N   . SER   A 1 102 ? 30.125 1.083   24.494 1.00 24.09 ? 98   SER   A N   1 
ATOM   666  C CA  . SER   A 1 102 ? 29.513 -0.160  24.036 1.00 24.14 ? 98   SER   A CA  1 
ATOM   667  C C   . SER   A 1 102 ? 29.536 -0.292  22.522 1.00 30.71 ? 98   SER   A C   1 
ATOM   668  O O   . SER   A 1 102 ? 29.345 -1.399  22.006 1.00 27.56 ? 98   SER   A O   1 
ATOM   669  C CB  . SER   A 1 102 ? 28.069 -0.249  24.502 1.00 26.20 ? 98   SER   A CB  1 
ATOM   670  O OG  . SER   A 1 102 ? 27.281 0.675   23.782 1.00 25.83 ? 98   SER   A OG  1 
ATOM   671  N N   . GLY   A 1 103 ? 29.764 0.804   21.798 1.00 28.67 ? 99   GLY   A N   1 
ATOM   672  C CA  . GLY   A 1 103 ? 29.665 0.776   20.366 1.00 29.20 ? 99   GLY   A CA  1 
ATOM   673  C C   . GLY   A 1 103 ? 28.261 0.931   19.822 1.00 30.69 ? 99   GLY   A C   1 
ATOM   674  O O   . GLY   A 1 103 ? 28.089 0.915   18.602 1.00 30.98 ? 99   GLY   A O   1 
ATOM   675  N N   . GLU   A 1 104 ? 27.247 1.074   20.674 1.00 27.73 ? 100  GLU   A N   1 
ATOM   676  C CA  . GLU   A 1 104 ? 25.919 1.365   20.149 1.00 32.56 ? 100  GLU   A CA  1 
ATOM   677  C C   . GLU   A 1 104 ? 25.914 2.674   19.371 1.00 33.17 ? 100  GLU   A C   1 
ATOM   678  O O   . GLU   A 1 104 ? 25.170 2.820   18.397 1.00 35.50 ? 100  GLU   A O   1 
ATOM   679  C CB  . GLU   A 1 104 ? 24.890 1.442   21.276 1.00 30.57 ? 100  GLU   A CB  1 
ATOM   680  C CG  . GLU   A 1 104 ? 24.877 0.278   22.243 1.00 38.91 ? 100  GLU   A CG  1 
ATOM   681  C CD  . GLU   A 1 104 ? 24.023 0.592   23.484 1.00 45.07 ? 100  GLU   A CD  1 
ATOM   682  O OE1 . GLU   A 1 104 ? 22.847 0.994   23.301 1.00 46.72 ? 100  GLU   A OE1 1 
ATOM   683  O OE2 . GLU   A 1 104 ? 24.530 0.477   24.627 1.00 41.54 ? 100  GLU   A OE2 1 
ATOM   684  N N   . GLU   A 1 105 ? 26.720 3.640   19.791 1.00 31.98 ? 101  GLU   A N   1 
ATOM   685  C CA  . GLU   A 1 105 ? 26.783 4.940   19.144 1.00 34.31 ? 101  GLU   A CA  1 
ATOM   686  C C   . GLU   A 1 105 ? 28.237 5.308   18.905 1.00 32.81 ? 101  GLU   A C   1 
ATOM   687  O O   . GLU   A 1 105 ? 29.132 4.826   19.602 1.00 32.00 ? 101  GLU   A O   1 
ATOM   688  C CB  . GLU   A 1 105 ? 26.112 6.028   19.988 1.00 33.83 ? 101  GLU   A CB  1 
ATOM   689  C CG  . GLU   A 1 105 ? 24.628 5.852   20.157 1.00 38.66 ? 101  GLU   A CG  1 
ATOM   690  C CD  . GLU   A 1 105 ? 23.874 6.085   18.861 1.00 41.58 ? 101  GLU   A CD  1 
ATOM   691  O OE1 . GLU   A 1 105 ? 24.511 6.449   17.840 1.00 41.95 ? 101  GLU   A OE1 1 
ATOM   692  O OE2 . GLU   A 1 105 ? 22.641 5.907   18.873 1.00 47.05 ? 101  GLU   A OE2 1 
ATOM   693  N N   . ASP   A 1 106 ? 28.461 6.158   17.904 1.00 28.41 ? 102  ASP   A N   1 
ATOM   694  C CA  . ASP   A 1 106 ? 29.764 6.754   17.654 1.00 29.02 ? 102  ASP   A CA  1 
ATOM   695  C C   . ASP   A 1 106 ? 29.873 8.065   18.413 1.00 27.78 ? 102  ASP   A C   1 
ATOM   696  O O   . ASP   A 1 106 ? 28.904 8.825   18.504 1.00 28.29 ? 102  ASP   A O   1 
ATOM   697  C CB  . ASP   A 1 106 ? 29.983 7.033   16.162 1.00 32.27 ? 102  ASP   A CB  1 
ATOM   698  C CG  . ASP   A 1 106 ? 30.237 5.785   15.364 1.00 44.45 ? 102  ASP   A CG  1 
ATOM   699  O OD1 . ASP   A 1 106 ? 30.790 4.810   15.943 1.00 43.19 ? 102  ASP   A OD1 1 
ATOM   700  O OD2 . ASP   A 1 106 ? 29.894 5.794   14.152 1.00 47.22 ? 102  ASP   A OD2 1 
ATOM   701  N N   . PHE   A 1 107 ? 31.066 8.334   18.938 1.00 27.28 ? 103  PHE   A N   1 
ATOM   702  C CA  . PHE   A 1 107 ? 31.330 9.644   19.519 1.00 27.16 ? 103  PHE   A CA  1 
ATOM   703  C C   . PHE   A 1 107 ? 30.908 10.756  18.561 1.00 25.44 ? 103  PHE   A C   1 
ATOM   704  O O   . PHE   A 1 107 ? 30.216 11.700  18.953 1.00 24.17 ? 103  PHE   A O   1 
ATOM   705  C CB  . PHE   A 1 107 ? 32.815 9.773   19.864 1.00 27.52 ? 103  PHE   A CB  1 
ATOM   706  C CG  . PHE   A 1 107 ? 33.193 11.141  20.335 1.00 29.09 ? 103  PHE   A CG  1 
ATOM   707  C CD1 . PHE   A 1 107 ? 33.509 12.140  19.417 1.00 28.66 ? 103  PHE   A CD1 1 
ATOM   708  C CD2 . PHE   A 1 107 ? 33.190 11.447  21.689 1.00 27.20 ? 103  PHE   A CD2 1 
ATOM   709  C CE1 . PHE   A 1 107 ? 33.832 13.415  19.848 1.00 29.34 ? 103  PHE   A CE1 1 
ATOM   710  C CE2 . PHE   A 1 107 ? 33.515 12.719  22.129 1.00 25.16 ? 103  PHE   A CE2 1 
ATOM   711  C CZ  . PHE   A 1 107 ? 33.840 13.701  21.210 1.00 23.35 ? 103  PHE   A CZ  1 
ATOM   712  N N   . GLU   A 1 108 ? 31.316 10.653  17.289 1.00 25.39 ? 104  GLU   A N   1 
ATOM   713  C CA  . GLU   A 1 108 ? 31.035 11.723  16.329 1.00 28.31 ? 104  GLU   A CA  1 
ATOM   714  C C   . GLU   A 1 108 ? 29.541 11.933  16.156 1.00 27.66 ? 104  GLU   A C   1 
ATOM   715  O O   . GLU   A 1 108 ? 29.077 13.067  15.977 1.00 28.57 ? 104  GLU   A O   1 
ATOM   716  C CB  . GLU   A 1 108 ? 31.666 11.409  14.968 1.00 28.88 ? 104  GLU   A CB  1 
ATOM   717  C CG  . GLU   A 1 108 ? 33.175 11.421  14.956 1.00 30.71 ? 104  GLU   A CG  1 
ATOM   718  C CD  . GLU   A 1 108 ? 33.791 10.084  15.321 1.00 33.74 ? 104  GLU   A CD  1 
ATOM   719  O OE1 . GLU   A 1 108 ? 33.112 9.233   15.941 1.00 28.50 ? 104  GLU   A OE1 1 
ATOM   720  O OE2 . GLU   A 1 108 ? 34.972 9.886   14.977 1.00 36.23 ? 104  GLU   A OE2 1 
ATOM   721  N N   . SER   A 1 109 ? 28.777 10.844  16.162 1.00 28.17 ? 105  SER   A N   1 
ATOM   722  C CA  . SER   A 1 109 ? 27.343 10.949  15.946 1.00 31.27 ? 105  SER   A CA  1 
ATOM   723  C C   . SER   A 1 109 ? 26.659 11.634  17.129 1.00 27.62 ? 105  SER   A C   1 
ATOM   724  O O   . SER   A 1 109 ? 25.779 12.485  16.938 1.00 28.05 ? 105  SER   A O   1 
ATOM   725  C CB  . SER   A 1 109 ? 26.763 9.561   15.690 1.00 29.71 ? 105  SER   A CB  1 
ATOM   726  O OG  . SER   A 1 109 ? 25.350 9.587   15.716 1.00 36.07 ? 105  SER   A OG  1 
ATOM   727  N N   . LEU   A 1 110 ? 27.071 11.295  18.355 1.00 28.25 ? 106  LEU   A N   1 
ATOM   728  C CA  . LEU   A 1 110 ? 26.492 11.918  19.542 1.00 25.03 ? 106  LEU   A CA  1 
ATOM   729  C C   . LEU   A 1 110 ? 26.911 13.375  19.666 1.00 24.13 ? 106  LEU   A C   1 
ATOM   730  O O   . LEU   A 1 110 ? 26.099 14.224  20.045 1.00 25.02 ? 106  LEU   A O   1 
ATOM   731  C CB  . LEU   A 1 110 ? 26.894 11.142  20.791 1.00 23.53 ? 106  LEU   A CB  1 
ATOM   732  C CG  . LEU   A 1 110 ? 26.390 9.694   20.860 1.00 25.45 ? 106  LEU   A CG  1 
ATOM   733  C CD1 . LEU   A 1 110 ? 26.651 9.121   22.235 1.00 23.65 ? 106  LEU   A CD1 1 
ATOM   734  C CD2 . LEU   A 1 110 ? 24.916 9.597   20.528 1.00 25.07 ? 106  LEU   A CD2 1 
ATOM   735  N N   . ALA   A 1 111 ? 28.181 13.687  19.387 1.00 22.02 ? 107  ALA   A N   1 
ATOM   736  C CA  . ALA   A 1 111 ? 28.587 15.092  19.371 1.00 23.53 ? 107  ALA   A CA  1 
ATOM   737  C C   . ALA   A 1 111 ? 27.745 15.881  18.379 1.00 26.59 ? 107  ALA   A C   1 
ATOM   738  O O   . ALA   A 1 111 ? 27.286 16.988  18.682 1.00 24.92 ? 107  ALA   A O   1 
ATOM   739  C CB  . ALA   A 1 111 ? 30.072 15.225  19.028 1.00 23.86 ? 107  ALA   A CB  1 
ATOM   740  N N   . SER   A 1 112 ? 27.530 15.322  17.187 1.00 26.82 ? 108  SER   A N   1 
ATOM   741  C CA  . SER   A 1 112 ? 26.781 16.036  16.159 1.00 24.85 ? 108  SER   A CA  1 
ATOM   742  C C   . SER   A 1 112 ? 25.353 16.297  16.607 1.00 27.66 ? 108  SER   A C   1 
ATOM   743  O O   . SER   A 1 112 ? 24.828 17.398  16.424 1.00 27.66 ? 108  SER   A O   1 
ATOM   744  C CB  . SER   A 1 112 ? 26.795 15.234  14.856 1.00 27.60 ? 108  SER   A CB  1 
ATOM   745  O OG  . SER   A 1 112 ? 28.108 15.165  14.327 1.00 28.61 ? 108  SER   A OG  1 
ATOM   746  N N   . GLN   A 1 113 ? 24.715 15.307  17.214 1.00 24.34 ? 109  GLN   A N   1 
ATOM   747  C CA  . GLN   A 1 113 ? 23.318 15.462  17.580 1.00 28.98 ? 109  GLN   A CA  1 
ATOM   748  C C   . GLN   A 1 113 ? 23.122 16.258  18.856 1.00 28.73 ? 109  GLN   A C   1 
ATOM   749  O O   . GLN   A 1 113 ? 22.121 16.965  18.984 1.00 34.21 ? 109  GLN   A O   1 
ATOM   750  C CB  . GLN   A 1 113 ? 22.667 14.099  17.762 1.00 30.23 ? 109  GLN   A CB  1 
ATOM   751  C CG  . GLN   A 1 113 ? 22.612 13.251  16.516 1.00 28.84 ? 109  GLN   A CG  1 
ATOM   752  C CD  . GLN   A 1 113 ? 22.110 11.873  16.837 1.00 37.00 ? 109  GLN   A CD  1 
ATOM   753  O OE1 . GLN   A 1 113 ? 20.927 11.689  17.141 1.00 40.48 ? 109  GLN   A OE1 1 
ATOM   754  N NE2 . GLN   A 1 113 ? 23.013 10.895  16.823 1.00 32.75 ? 109  GLN   A NE2 1 
ATOM   755  N N   . PHE   A 1 114 ? 24.027 16.141  19.821 1.00 29.92 ? 110  PHE   A N   1 
ATOM   756  C CA  . PHE   A 1 114 ? 23.693 16.542  21.176 1.00 28.25 ? 110  PHE   A CA  1 
ATOM   757  C C   . PHE   A 1 114 ? 24.679 17.488  21.839 1.00 26.76 ? 110  PHE   A C   1 
ATOM   758  O O   . PHE   A 1 114 ? 24.385 17.952  22.941 1.00 27.05 ? 110  PHE   A O   1 
ATOM   759  C CB  . PHE   A 1 114 ? 23.530 15.305  22.074 1.00 29.08 ? 110  PHE   A CB  1 
ATOM   760  C CG  . PHE   A 1 114 ? 22.457 14.362  21.612 1.00 30.21 ? 110  PHE   A CG  1 
ATOM   761  C CD1 . PHE   A 1 114 ? 21.157 14.809  21.419 1.00 34.31 ? 110  PHE   A CD1 1 
ATOM   762  C CD2 . PHE   A 1 114 ? 22.742 13.029  21.373 1.00 28.93 ? 110  PHE   A CD2 1 
ATOM   763  C CE1 . PHE   A 1 114 ? 20.160 13.941  20.983 1.00 31.67 ? 110  PHE   A CE1 1 
ATOM   764  C CE2 . PHE   A 1 114 ? 21.753 12.152  20.945 1.00 29.61 ? 110  PHE   A CE2 1 
ATOM   765  C CZ  . PHE   A 1 114 ? 20.458 12.611  20.752 1.00 31.96 ? 110  PHE   A CZ  1 
ATOM   766  N N   . SER   A 1 115 ? 25.821 17.793  21.234 1.00 26.10 ? 111  SER   A N   1 
ATOM   767  C CA  . SER   A 1 115 ? 26.781 18.665  21.902 1.00 23.75 ? 111  SER   A CA  1 
ATOM   768  C C   . SER   A 1 115 ? 26.255 20.097  21.925 1.00 29.37 ? 111  SER   A C   1 
ATOM   769  O O   . SER   A 1 115 ? 25.806 20.612  20.897 1.00 29.45 ? 111  SER   A O   1 
ATOM   770  C CB  . SER   A 1 115 ? 28.135 18.619  21.198 1.00 25.87 ? 111  SER   A CB  1 
ATOM   771  O OG  . SER   A 1 115 ? 29.088 19.464  21.843 1.00 23.01 ? 111  SER   A OG  1 
ATOM   772  N N   . ASP   A 1 116 ? 26.326 20.746  23.100 1.00 27.93 ? 112  ASP   A N   1 
ATOM   773  C CA  . ASP   A 1 116 ? 25.868 22.126  23.273 1.00 28.53 ? 112  ASP   A CA  1 
ATOM   774  C C   . ASP   A 1 116 ? 26.914 23.140  22.827 1.00 32.50 ? 112  ASP   A C   1 
ATOM   775  O O   . ASP   A 1 116 ? 26.996 24.244  23.373 1.00 35.25 ? 112  ASP   A O   1 
ATOM   776  C CB  . ASP   A 1 116 ? 25.490 22.381  24.732 1.00 27.73 ? 112  ASP   A CB  1 
ATOM   777  C CG  . ASP   A 1 116 ? 24.125 21.851  25.066 1.00 28.20 ? 112  ASP   A CG  1 
ATOM   778  O OD1 . ASP   A 1 116 ? 23.177 22.169  24.314 1.00 29.91 ? 112  ASP   A OD1 1 
ATOM   779  O OD2 . ASP   A 1 116 ? 23.995 21.104  26.064 1.00 28.37 ? 112  ASP   A OD2 1 
ATOM   780  N N   . CYS   A 1 117 ? 27.709 22.777  21.830 1.00 30.26 ? 113  CYS   A N   1 
ATOM   781  C CA  . CYS   A 1 117 ? 28.823 23.583  21.371 1.00 28.01 ? 113  CYS   A CA  1 
ATOM   782  C C   . CYS   A 1 117 ? 28.714 23.731  19.865 1.00 30.68 ? 113  CYS   A C   1 
ATOM   783  O O   . CYS   A 1 117 ? 28.179 22.856  19.179 1.00 30.21 ? 113  CYS   A O   1 
ATOM   784  C CB  . CYS   A 1 117 ? 30.149 22.935  21.765 1.00 25.70 ? 113  CYS   A CB  1 
ATOM   785  S SG  . CYS   A 1 117 ? 31.642 23.744  21.195 1.00 30.93 ? 113  CYS   A SG  1 
ATOM   786  N N   . SER   A 1 118 ? 29.184 24.867  19.355 1.00 32.06 ? 114  SER   A N   1 
ATOM   787  C CA  . SER   A 1 118 ? 29.111 25.085  17.918 1.00 34.18 ? 114  SER   A CA  1 
ATOM   788  C C   . SER   A 1 118 ? 29.977 24.091  17.151 1.00 32.90 ? 114  SER   A C   1 
ATOM   789  O O   . SER   A 1 118 ? 29.755 23.892  15.953 1.00 33.55 ? 114  SER   A O   1 
ATOM   790  C CB  . SER   A 1 118 ? 29.518 26.519  17.586 1.00 33.94 ? 114  SER   A CB  1 
ATOM   791  O OG  . SER   A 1 118 ? 30.843 26.763  18.015 1.00 37.43 ? 114  SER   A OG  1 
ATOM   792  N N   . SER   A 1 119 ? 30.946 23.451  17.821 1.00 28.84 ? 115  SER   A N   1 
ATOM   793  C CA  . SER   A 1 119 ? 31.737 22.394  17.199 1.00 29.13 ? 115  SER   A CA  1 
ATOM   794  C C   . SER   A 1 119 ? 30.914 21.147  16.901 1.00 28.43 ? 115  SER   A C   1 
ATOM   795  O O   . SER   A 1 119 ? 31.426 20.229  16.255 1.00 27.30 ? 115  SER   A O   1 
ATOM   796  C CB  . SER   A 1 119 ? 32.924 22.025  18.102 1.00 29.99 ? 115  SER   A CB  1 
ATOM   797  O OG  . SER   A 1 119 ? 32.472 21.606  19.391 1.00 25.91 ? 115  SER   A OG  1 
ATOM   798  N N   . ALA   A 1 120 ? 29.664 21.083  17.366 1.00 26.57 ? 116  ALA   A N   1 
ATOM   799  C CA  . ALA   A 1 120 ? 28.807 19.958  17.021 1.00 25.04 ? 116  ALA   A CA  1 
ATOM   800  C C   . ALA   A 1 120 ? 28.731 19.769  15.512 1.00 29.69 ? 116  ALA   A C   1 
ATOM   801  O O   . ALA   A 1 120 ? 28.648 18.633  15.026 1.00 26.53 ? 116  ALA   A O   1 
ATOM   802  C CB  . ALA   A 1 120 ? 27.406 20.152  17.607 1.00 27.09 ? 116  ALA   A CB  1 
ATOM   803  N N   . LYS   A 1 121 ? 28.764 20.876  14.750 1.00 26.77 ? 117  LYS   A N   1 
ATOM   804  C CA  . LYS   A 1 121 ? 28.639 20.791  13.295 1.00 30.93 ? 117  LYS   A CA  1 
ATOM   805  C C   . LYS   A 1 121 ? 29.873 20.175  12.652 1.00 30.15 ? 117  LYS   A C   1 
ATOM   806  O O   . LYS   A 1 121 ? 29.798 19.711  11.506 1.00 27.77 ? 117  LYS   A O   1 
ATOM   807  C CB  . LYS   A 1 121 ? 28.393 22.178  12.677 1.00 29.43 ? 117  LYS   A CB  1 
ATOM   808  C CG  . LYS   A 1 121 ? 27.217 22.949  13.271 1.00 35.74 ? 117  LYS   A CG  1 
ATOM   809  C CD  . LYS   A 1 121 ? 25.869 22.564  12.657 1.00 33.69 ? 117  LYS   A CD  1 
ATOM   810  C CE  . LYS   A 1 121 ? 24.715 22.877  13.621 1.00 41.35 ? 117  LYS   A CE  1 
ATOM   811  N NZ  . LYS   A 1 121 ? 24.687 22.026  14.863 1.00 32.54 ? 117  LYS   A NZ  1 
ATOM   812  N N   . ALA   A 1 122 ? 31.000 20.176  13.360 1.00 26.35 ? 118  ALA   A N   1 
ATOM   813  C CA  . ALA   A 1 122 ? 32.228 19.540  12.915 1.00 25.67 ? 118  ALA   A CA  1 
ATOM   814  C C   . ALA   A 1 122 ? 32.482 18.233  13.664 1.00 26.29 ? 118  ALA   A C   1 
ATOM   815  O O   . ALA   A 1 122 ? 33.635 17.842  13.874 1.00 27.29 ? 118  ALA   A O   1 
ATOM   816  C CB  . ALA   A 1 122 ? 33.414 20.494  13.078 1.00 26.98 ? 118  ALA   A CB  1 
ATOM   817  N N   . ARG   A 1 123 ? 31.412 17.552  14.070 1.00 24.09 ? 119  ARG   A N   1 
ATOM   818  C CA  . ARG   A 1 123 ? 31.513 16.291  14.811 1.00 27.87 ? 119  ARG   A CA  1 
ATOM   819  C C   . ARG   A 1 123 ? 32.316 16.460  16.091 1.00 25.32 ? 119  ARG   A C   1 
ATOM   820  O O   . ARG   A 1 123 ? 32.987 15.524  16.533 1.00 25.89 ? 119  ARG   A O   1 
ATOM   821  C CB  . ARG   A 1 123 ? 32.141 15.183  13.957 1.00 28.22 ? 119  ARG   A CB  1 
ATOM   822  C CG  . ARG   A 1 123 ? 31.338 14.794  12.721 1.00 32.00 ? 119  ARG   A CG  1 
ATOM   823  C CD  . ARG   A 1 123 ? 32.217 13.979  11.768 1.00 34.42 ? 119  ARG   A CD  1 
ATOM   824  N NE  . ARG   A 1 123 ? 31.519 12.806  11.261 1.00 42.91 ? 119  ARG   A NE  1 
ATOM   825  C CZ  . ARG   A 1 123 ? 32.079 11.612  11.068 1.00 49.09 ? 119  ARG   A CZ  1 
ATOM   826  N NH1 . ARG   A 1 123 ? 33.366 11.392  11.329 1.00 44.68 ? 119  ARG   A NH1 1 
ATOM   827  N NH2 . ARG   A 1 123 ? 31.327 10.609  10.611 1.00 44.33 ? 119  ARG   A NH2 1 
ATOM   828  N N   . GLY   A 1 124 ? 32.263 17.658  16.678 1.00 26.78 ? 120  GLY   A N   1 
ATOM   829  C CA  . GLY   A 1 124 ? 32.965 17.972  17.908 1.00 27.06 ? 120  GLY   A CA  1 
ATOM   830  C C   . GLY   A 1 124 ? 34.425 18.342  17.741 1.00 27.94 ? 120  GLY   A C   1 
ATOM   831  O O   . GLY   A 1 124 ? 35.080 18.690  18.735 1.00 27.97 ? 120  GLY   A O   1 
ATOM   832  N N   . ASP   A 1 125 ? 34.953 18.293  16.522 1.00 27.87 ? 121  ASP   A N   1 
ATOM   833  C CA  . ASP   A 1 125 ? 36.364 18.573  16.290 1.00 27.75 ? 121  ASP   A CA  1 
ATOM   834  C C   . ASP   A 1 125 ? 36.699 20.019  16.638 1.00 28.95 ? 121  ASP   A C   1 
ATOM   835  O O   . ASP   A 1 125 ? 36.013 20.952  16.205 1.00 28.32 ? 121  ASP   A O   1 
ATOM   836  C CB  . ASP   A 1 125 ? 36.723 18.286  14.830 1.00 28.21 ? 121  ASP   A CB  1 
ATOM   837  C CG  . ASP   A 1 125 ? 38.154 18.634  14.520 1.00 31.87 ? 121  ASP   A CG  1 
ATOM   838  O OD1 . ASP   A 1 125 ? 39.018 18.336  15.374 1.00 31.04 ? 121  ASP   A OD1 1 
ATOM   839  O OD2 . ASP   A 1 125 ? 38.417 19.212  13.442 1.00 29.60 ? 121  ASP   A OD2 1 
ATOM   840  N N   . LEU   A 1 126 ? 37.758 20.199  17.426 1.00 27.85 ? 122  LEU   A N   1 
ATOM   841  C CA  . LEU   A 1 126 ? 38.225 21.517  17.831 1.00 27.64 ? 122  LEU   A CA  1 
ATOM   842  C C   . LEU   A 1 126 ? 39.519 21.926  17.143 1.00 31.47 ? 122  LEU   A C   1 
ATOM   843  O O   . LEU   A 1 126 ? 40.031 23.014  17.425 1.00 32.20 ? 122  LEU   A O   1 
ATOM   844  C CB  . LEU   A 1 126 ? 38.429 21.571  19.352 1.00 30.12 ? 122  LEU   A CB  1 
ATOM   845  C CG  . LEU   A 1 126 ? 37.201 21.377  20.251 1.00 26.74 ? 122  LEU   A CG  1 
ATOM   846  C CD1 . LEU   A 1 126 ? 37.617 21.339  21.740 1.00 26.63 ? 122  LEU   A CD1 1 
ATOM   847  C CD2 . LEU   A 1 126 ? 36.187 22.474  20.005 1.00 21.91 ? 122  LEU   A CD2 1 
ATOM   848  N N   . GLY   A 1 127 ? 40.061 21.093  16.256 1.00 31.80 ? 123  GLY   A N   1 
ATOM   849  C CA  . GLY   A 1 127 ? 41.362 21.347  15.679 1.00 29.22 ? 123  GLY   A CA  1 
ATOM   850  C C   . GLY   A 1 127 ? 42.455 21.119  16.702 1.00 32.59 ? 123  GLY   A C   1 
ATOM   851  O O   . GLY   A 1 127 ? 42.221 20.687  17.830 1.00 33.82 ? 123  GLY   A O   1 
ATOM   852  N N   . ALA   A 1 128 ? 43.678 21.407  16.291 1.00 29.05 ? 124  ALA   A N   1 
ATOM   853  C CA  . ALA   A 1 128 ? 44.801 21.226  17.191 1.00 33.51 ? 124  ALA   A CA  1 
ATOM   854  C C   . ALA   A 1 128 ? 44.991 22.485  18.026 1.00 34.14 ? 124  ALA   A C   1 
ATOM   855  O O   . ALA   A 1 128 ? 44.496 23.563  17.693 1.00 35.29 ? 124  ALA   A O   1 
ATOM   856  C CB  . ALA   A 1 128 ? 46.076 20.887  16.424 1.00 35.27 ? 124  ALA   A CB  1 
ATOM   857  N N   . PHE   A 1 129 ? 45.692 22.325  19.142 1.00 36.28 ? 125  PHE   A N   1 
ATOM   858  C CA  . PHE   A 1 129 ? 45.948 23.431  20.053 1.00 35.19 ? 125  PHE   A CA  1 
ATOM   859  C C   . PHE   A 1 129 ? 47.099 23.045  20.964 1.00 35.04 ? 125  PHE   A C   1 
ATOM   860  O O   . PHE   A 1 129 ? 47.479 21.874  21.056 1.00 37.04 ? 125  PHE   A O   1 
ATOM   861  C CB  . PHE   A 1 129 ? 44.699 23.792  20.868 1.00 37.71 ? 125  PHE   A CB  1 
ATOM   862  C CG  . PHE   A 1 129 ? 44.111 22.633  21.630 1.00 36.58 ? 125  PHE   A CG  1 
ATOM   863  C CD1 . PHE   A 1 129 ? 44.637 22.260  22.865 1.00 36.01 ? 125  PHE   A CD1 1 
ATOM   864  C CD2 . PHE   A 1 129 ? 43.033 21.919  21.115 1.00 33.46 ? 125  PHE   A CD2 1 
ATOM   865  C CE1 . PHE   A 1 129 ? 44.107 21.194  23.581 1.00 32.67 ? 125  PHE   A CE1 1 
ATOM   866  C CE2 . PHE   A 1 129 ? 42.498 20.850  21.817 1.00 37.70 ? 125  PHE   A CE2 1 
ATOM   867  C CZ  . PHE   A 1 129 ? 43.038 20.489  23.066 1.00 33.15 ? 125  PHE   A CZ  1 
ATOM   868  N N   . SER   A 1 130 ? 47.670 24.047  21.617 1.00 38.94 ? 126  SER   A N   1 
ATOM   869  C CA  . SER   A 1 130 ? 48.713 23.830  22.609 1.00 40.20 ? 126  SER   A CA  1 
ATOM   870  C C   . SER   A 1 130 ? 48.212 24.323  23.963 1.00 37.27 ? 126  SER   A C   1 
ATOM   871  O O   . SER   A 1 130 ? 47.103 24.860  24.087 1.00 35.31 ? 126  SER   A O   1 
ATOM   872  C CB  . SER   A 1 130 ? 50.011 24.527  22.197 1.00 42.24 ? 126  SER   A CB  1 
ATOM   873  O OG  . SER   A 1 130 ? 49.779 25.906  21.990 1.00 44.60 ? 126  SER   A OG  1 
ATOM   874  N N   . ARG   A 1 131 ? 49.029 24.134  24.992 1.00 36.04 ? 127  ARG   A N   1 
ATOM   875  C CA  . ARG   A 1 131 ? 48.628 24.644  26.292 1.00 35.70 ? 127  ARG   A CA  1 
ATOM   876  C C   . ARG   A 1 131 ? 48.534 26.165  26.240 1.00 38.50 ? 127  ARG   A C   1 
ATOM   877  O O   . ARG   A 1 131 ? 49.123 26.823  25.379 1.00 41.39 ? 127  ARG   A O   1 
ATOM   878  C CB  . ARG   A 1 131 ? 49.608 24.202  27.371 1.00 35.70 ? 127  ARG   A CB  1 
ATOM   879  C CG  . ARG   A 1 131 ? 49.568 22.715  27.665 1.00 36.06 ? 127  ARG   A CG  1 
ATOM   880  C CD  . ARG   A 1 131 ? 50.230 22.417  28.986 1.00 33.17 ? 127  ARG   A CD  1 
ATOM   881  N NE  . ARG   A 1 131 ? 50.269 20.989  29.275 1.00 36.18 ? 127  ARG   A NE  1 
ATOM   882  C CZ  . ARG   A 1 131 ? 49.451 20.378  30.121 1.00 33.02 ? 127  ARG   A CZ  1 
ATOM   883  N NH1 . ARG   A 1 131 ? 48.506 21.038  30.762 1.00 32.20 ? 127  ARG   A NH1 1 
ATOM   884  N NH2 . ARG   A 1 131 ? 49.591 19.074  30.331 1.00 33.13 ? 127  ARG   A NH2 1 
ATOM   885  N N   . GLY   A 1 132 ? 47.763 26.723  27.159 1.00 38.55 ? 128  GLY   A N   1 
ATOM   886  C CA  . GLY   A 1 132 ? 47.551 28.153  27.189 1.00 36.67 ? 128  GLY   A CA  1 
ATOM   887  C C   . GLY   A 1 132 ? 46.359 28.657  26.407 1.00 38.94 ? 128  GLY   A C   1 
ATOM   888  O O   . GLY   A 1 132 ? 46.155 29.875  26.344 1.00 41.03 ? 128  GLY   A O   1 
ATOM   889  N N   . GLN   A 1 133 ? 45.559 27.776  25.808 1.00 40.28 ? 129  GLN   A N   1 
ATOM   890  C CA  . GLN   A 1 133 ? 44.424 28.209  24.995 1.00 37.66 ? 129  GLN   A CA  1 
ATOM   891  C C   . GLN   A 1 133 ? 43.078 27.809  25.564 1.00 40.48 ? 129  GLN   A C   1 
ATOM   892  O O   . GLN   A 1 133 ? 42.134 28.600  25.512 1.00 37.16 ? 129  GLN   A O   1 
ATOM   893  C CB  . GLN   A 1 133 ? 44.526 27.638  23.579 1.00 39.68 ? 129  GLN   A CB  1 
ATOM   894  C CG  . GLN   A 1 133 ? 45.853 27.855  22.902 1.00 43.99 ? 129  GLN   A CG  1 
ATOM   895  C CD  . GLN   A 1 133 ? 45.826 27.404  21.458 1.00 46.80 ? 129  GLN   A CD  1 
ATOM   896  O OE1 . GLN   A 1 133 ? 46.657 26.602  21.031 1.00 46.34 ? 129  GLN   A OE1 1 
ATOM   897  N NE2 . GLN   A 1 133 ? 44.861 27.913  20.695 1.00 47.92 ? 129  GLN   A NE2 1 
ATOM   898  N N   . MET   A 1 134 ? 42.957 26.590  26.073 1.00 38.94 ? 130  MET   A N   1 
ATOM   899  C CA  . MET   A 1 134 ? 41.687 26.057  26.539 1.00 39.57 ? 130  MET   A CA  1 
ATOM   900  C C   . MET   A 1 134 ? 41.546 26.253  28.046 1.00 37.15 ? 130  MET   A C   1 
ATOM   901  O O   . MET   A 1 134 ? 42.498 26.604  28.748 1.00 38.13 ? 130  MET   A O   1 
ATOM   902  C CB  . MET   A 1 134 ? 41.570 24.573  26.172 1.00 37.96 ? 130  MET   A CB  1 
ATOM   903  C CG  . MET   A 1 134 ? 41.745 24.285  24.676 1.00 39.17 ? 130  MET   A CG  1 
ATOM   904  S SD  . MET   A 1 134 ? 40.386 24.902  23.658 1.00 45.15 ? 130  MET   A SD  1 
ATOM   905  C CE  . MET   A 1 134 ? 40.915 24.317  22.045 1.00 41.74 ? 130  MET   A CE  1 
ATOM   906  N N   . GLN   A 1 135 ? 40.333 26.036  28.541 1.00 36.53 ? 131  GLN   A N   1 
ATOM   907  C CA  . GLN   A 1 135 ? 40.135 26.061  29.982 1.00 35.99 ? 131  GLN   A CA  1 
ATOM   908  C C   . GLN   A 1 135 ? 40.960 24.954  30.628 1.00 34.63 ? 131  GLN   A C   1 
ATOM   909  O O   . GLN   A 1 135 ? 41.131 23.867  30.070 1.00 34.24 ? 131  GLN   A O   1 
ATOM   910  C CB  . GLN   A 1 135 ? 38.653 25.924  30.313 1.00 36.84 ? 131  GLN   A CB  1 
ATOM   911  C CG  . GLN   A 1 135 ? 37.812 27.007  29.647 1.00 38.72 ? 131  GLN   A CG  1 
ATOM   912  C CD  . GLN   A 1 135 ? 36.329 26.890  29.958 1.00 41.23 ? 131  GLN   A CD  1 
ATOM   913  O OE1 . GLN   A 1 135 ? 35.891 27.186  31.071 1.00 44.94 ? 131  GLN   A OE1 1 
ATOM   914  N NE2 . GLN   A 1 135 ? 35.548 26.461  28.974 1.00 40.34 ? 131  GLN   A NE2 1 
ATOM   915  N N   . LYS   A 1 136 ? 41.495 25.247  31.804 1.00 38.14 ? 132  LYS   A N   1 
ATOM   916  C CA  . LYS   A 1 136 ? 42.549 24.411  32.375 1.00 35.21 ? 132  LYS   A CA  1 
ATOM   917  C C   . LYS   A 1 136 ? 42.155 22.947  32.542 1.00 31.39 ? 132  LYS   A C   1 
ATOM   918  O O   . LYS   A 1 136 ? 42.948 22.071  32.155 1.00 30.16 ? 132  LYS   A O   1 
ATOM   919  C CB  . LYS   A 1 136 ? 42.994 25.023  33.703 1.00 38.32 ? 132  LYS   A CB  1 
ATOM   920  C CG  . LYS   A 1 136 ? 44.180 24.325  34.310 1.00 39.71 ? 132  LYS   A CG  1 
ATOM   921  C CD  . LYS   A 1 136 ? 45.399 24.426  33.427 1.00 37.40 ? 132  LYS   A CD  1 
ATOM   922  C CE  . LYS   A 1 136 ? 46.516 23.625  34.053 1.00 43.05 ? 132  LYS   A CE  1 
ATOM   923  N NZ  . LYS   A 1 136 ? 47.733 23.563  33.212 1.00 43.68 ? 132  LYS   A NZ  1 
ATOM   924  N N   . PRO   A 1 137 ? 41.005 22.602  33.128 1.00 31.98 ? 133  PRO   A N   1 
ATOM   925  C CA  . PRO   A 1 137 ? 40.680 21.171  33.248 1.00 29.66 ? 133  PRO   A CA  1 
ATOM   926  C C   . PRO   A 1 137 ? 40.592 20.487  31.895 1.00 29.57 ? 133  PRO   A C   1 
ATOM   927  O O   . PRO   A 1 137 ? 41.019 19.335  31.755 1.00 27.14 ? 133  PRO   A O   1 
ATOM   928  C CB  . PRO   A 1 137 ? 39.329 21.168  33.976 1.00 31.42 ? 133  PRO   A CB  1 
ATOM   929  C CG  . PRO   A 1 137 ? 39.156 22.561  34.513 1.00 36.31 ? 133  PRO   A CG  1 
ATOM   930  C CD  . PRO   A 1 137 ? 39.905 23.460  33.589 1.00 30.88 ? 133  PRO   A CD  1 
ATOM   931  N N   . PHE   A 1 138 ? 40.046 21.181  30.893 1.00 29.46 ? 134  PHE   A N   1 
ATOM   932  C CA  . PHE   A 1 138 ? 39.995 20.646  29.536 1.00 26.54 ? 134  PHE   A CA  1 
ATOM   933  C C   . PHE   A 1 138 ? 41.396 20.436  28.983 1.00 28.76 ? 134  PHE   A C   1 
ATOM   934  O O   . PHE   A 1 138 ? 41.690 19.405  28.366 1.00 27.20 ? 134  PHE   A O   1 
ATOM   935  C CB  . PHE   A 1 138 ? 39.212 21.600  28.641 1.00 25.58 ? 134  PHE   A CB  1 
ATOM   936  C CG  . PHE   A 1 138 ? 38.850 21.028  27.297 1.00 27.55 ? 134  PHE   A CG  1 
ATOM   937  C CD1 . PHE   A 1 138 ? 39.799 20.910  26.296 1.00 26.36 ? 134  PHE   A CD1 1 
ATOM   938  C CD2 . PHE   A 1 138 ? 37.547 20.623  27.033 1.00 27.32 ? 134  PHE   A CD2 1 
ATOM   939  C CE1 . PHE   A 1 138 ? 39.459 20.381  25.053 1.00 28.32 ? 134  PHE   A CE1 1 
ATOM   940  C CE2 . PHE   A 1 138 ? 37.196 20.091  25.781 1.00 29.11 ? 134  PHE   A CE2 1 
ATOM   941  C CZ  . PHE   A 1 138 ? 38.155 19.975  24.798 1.00 25.07 ? 134  PHE   A CZ  1 
ATOM   942  N N   . GLU   A 1 139 ? 42.271 21.422  29.177 1.00 26.73 ? 135  GLU   A N   1 
ATOM   943  C CA  . GLU   A 1 139 ? 43.632 21.322  28.671 1.00 28.01 ? 135  GLU   A CA  1 
ATOM   944  C C   . GLU   A 1 139 ? 44.356 20.142  29.300 1.00 32.20 ? 135  GLU   A C   1 
ATOM   945  O O   . GLU   A 1 139 ? 44.970 19.317  28.600 1.00 27.27 ? 135  GLU   A O   1 
ATOM   946  C CB  . GLU   A 1 139 ? 44.363 22.634  28.951 1.00 30.98 ? 135  GLU   A CB  1 
ATOM   947  C CG  . GLU   A 1 139 ? 45.830 22.631  28.637 1.00 34.24 ? 135  GLU   A CG  1 
ATOM   948  C CD  . GLU   A 1 139 ? 46.498 23.950  29.029 1.00 36.77 ? 135  GLU   A CD  1 
ATOM   949  O OE1 . GLU   A 1 139 ? 45.990 25.024  28.631 1.00 35.87 ? 135  GLU   A OE1 1 
ATOM   950  O OE2 . GLU   A 1 139 ? 47.519 23.900  29.752 1.00 37.27 ? 135  GLU   A OE2 1 
ATOM   951  N N   . ASP   A 1 140 ? 44.285 20.039  30.632 1.00 29.19 ? 136  ASP   A N   1 
ATOM   952  C CA  . ASP   A 1 140 ? 44.979 18.964  31.330 1.00 27.36 ? 136  ASP   A CA  1 
ATOM   953  C C   . ASP   A 1 140 ? 44.508 17.602  30.851 1.00 25.98 ? 136  ASP   A C   1 
ATOM   954  O O   . ASP   A 1 140 ? 45.319 16.690  30.646 1.00 26.92 ? 136  ASP   A O   1 
ATOM   955  C CB  . ASP   A 1 140 ? 44.775 19.097  32.845 1.00 30.11 ? 136  ASP   A CB  1 
ATOM   956  C CG  . ASP   A 1 140 ? 45.655 20.182  33.461 1.00 37.12 ? 136  ASP   A CG  1 
ATOM   957  O OD1 . ASP   A 1 140 ? 46.717 20.491  32.867 1.00 34.46 ? 136  ASP   A OD1 1 
ATOM   958  O OD2 . ASP   A 1 140 ? 45.285 20.727  34.526 1.00 34.73 ? 136  ASP   A OD2 1 
ATOM   959  N N   . ALA   A 1 141 ? 43.199 17.434  30.689 1.00 25.59 ? 137  ALA   A N   1 
ATOM   960  C CA  . ALA   A 1 141 ? 42.690 16.152  30.205 1.00 25.46 ? 137  ALA   A CA  1 
ATOM   961  C C   . ALA   A 1 141 ? 43.191 15.872  28.787 1.00 26.37 ? 137  ALA   A C   1 
ATOM   962  O O   . ALA   A 1 141 ? 43.760 14.807  28.507 1.00 24.23 ? 137  ALA   A O   1 
ATOM   963  C CB  . ALA   A 1 141 ? 41.161 16.154  30.263 1.00 22.42 ? 137  ALA   A CB  1 
ATOM   964  N N   . SER   A 1 142 ? 43.009 16.841  27.887 1.00 25.62 ? 138  SER   A N   1 
ATOM   965  C CA  . SER   A 1 142 ? 43.477 16.692  26.515 1.00 25.06 ? 138  SER   A CA  1 
ATOM   966  C C   . SER   A 1 142 ? 44.927 16.225  26.460 1.00 28.57 ? 138  SER   A C   1 
ATOM   967  O O   . SER   A 1 142 ? 45.258 15.280  25.733 1.00 30.07 ? 138  SER   A O   1 
ATOM   968  C CB  . SER   A 1 142 ? 43.306 18.017  25.781 1.00 24.07 ? 138  SER   A CB  1 
ATOM   969  O OG  . SER   A 1 142 ? 41.939 18.364  25.706 1.00 24.64 ? 138  SER   A OG  1 
ATOM   970  N N   . PHE   A 1 143 ? 45.812 16.863  27.231 1.00 28.19 ? 139  PHE   A N   1 
ATOM   971  C CA  . PHE   A 1 143 ? 47.225 16.521  27.132 1.00 27.63 ? 139  PHE   A CA  1 
ATOM   972  C C   . PHE   A 1 143 ? 47.595 15.251  27.882 1.00 29.62 ? 139  PHE   A C   1 
ATOM   973  O O   . PHE   A 1 143 ? 48.653 14.675  27.606 1.00 30.54 ? 139  PHE   A O   1 
ATOM   974  C CB  . PHE   A 1 143 ? 48.085 17.702  27.594 1.00 30.56 ? 139  PHE   A CB  1 
ATOM   975  C CG  . PHE   A 1 143 ? 48.248 18.750  26.533 1.00 29.17 ? 139  PHE   A CG  1 
ATOM   976  C CD1 . PHE   A 1 143 ? 47.294 19.735  26.374 1.00 28.86 ? 139  PHE   A CD1 1 
ATOM   977  C CD2 . PHE   A 1 143 ? 49.313 18.700  25.645 1.00 33.04 ? 139  PHE   A CD2 1 
ATOM   978  C CE1 . PHE   A 1 143 ? 47.409 20.686  25.368 1.00 35.20 ? 139  PHE   A CE1 1 
ATOM   979  C CE2 . PHE   A 1 143 ? 49.431 19.643  24.634 1.00 34.96 ? 139  PHE   A CE2 1 
ATOM   980  C CZ  . PHE   A 1 143 ? 48.478 20.639  24.496 1.00 32.43 ? 139  PHE   A CZ  1 
ATOM   981  N N   . ALA   A 1 144 ? 46.750 14.777  28.798 1.00 29.11 ? 140  ALA   A N   1 
ATOM   982  C CA  . ALA   A 1 144 ? 47.030 13.515  29.470 1.00 26.41 ? 140  ALA   A CA  1 
ATOM   983  C C   . ALA   A 1 144 ? 46.436 12.317  28.739 1.00 29.35 ? 140  ALA   A C   1 
ATOM   984  O O   . ALA   A 1 144 ? 46.790 11.177  29.056 1.00 28.07 ? 140  ALA   A O   1 
ATOM   985  C CB  . ALA   A 1 144 ? 46.505 13.553  30.911 1.00 25.56 ? 140  ALA   A CB  1 
ATOM   986  N N   . LEU   A 1 145 ? 45.550 12.539  27.772 1.00 27.43 ? 141  LEU   A N   1 
ATOM   987  C CA  . LEU   A 1 145 ? 45.035 11.426  26.987 1.00 29.35 ? 141  LEU   A CA  1 
ATOM   988  C C   . LEU   A 1 145 ? 46.098 10.914  26.030 1.00 31.82 ? 141  LEU   A C   1 
ATOM   989  O O   . LEU   A 1 145 ? 47.003 11.648  25.613 1.00 31.75 ? 141  LEU   A O   1 
ATOM   990  C CB  . LEU   A 1 145 ? 43.805 11.844  26.184 1.00 25.88 ? 141  LEU   A CB  1 
ATOM   991  C CG  . LEU   A 1 145 ? 42.543 12.129  26.979 1.00 25.51 ? 141  LEU   A CG  1 
ATOM   992  C CD1 . LEU   A 1 145 ? 41.538 12.891  26.118 1.00 22.33 ? 141  LEU   A CD1 1 
ATOM   993  C CD2 . LEU   A 1 145 ? 41.949 10.823  27.489 1.00 25.74 ? 141  LEU   A CD2 1 
ATOM   994  N N   . ARG   A 1 146 ? 45.980 9.643   25.678 1.00 29.57 ? 142  ARG   A N   1 
ATOM   995  C CA  . ARG   A 1 146 ? 46.750 9.119   24.565 1.00 35.17 ? 142  ARG   A CA  1 
ATOM   996  C C   . ARG   A 1 146 ? 45.948 9.236   23.271 1.00 33.97 ? 142  ARG   A C   1 
ATOM   997  O O   . ARG   A 1 146 ? 44.731 9.424   23.286 1.00 29.17 ? 142  ARG   A O   1 
ATOM   998  C CB  . ARG   A 1 146 ? 47.155 7.681   24.843 1.00 37.98 ? 142  ARG   A CB  1 
ATOM   999  C CG  . ARG   A 1 146 ? 48.422 7.640   25.675 1.00 46.98 ? 142  ARG   A CG  1 
ATOM   1000 C CD  . ARG   A 1 146 ? 48.715 6.267   26.181 1.00 54.83 ? 142  ARG   A CD  1 
ATOM   1001 N NE  . ARG   A 1 146 ? 47.677 5.825   27.103 1.00 59.41 ? 142  ARG   A NE  1 
ATOM   1002 C CZ  . ARG   A 1 146 ? 47.881 4.963   28.090 1.00 61.32 ? 142  ARG   A CZ  1 
ATOM   1003 N NH1 . ARG   A 1 146 ? 49.081 4.449   28.323 1.00 61.09 ? 142  ARG   A NH1 1 
ATOM   1004 N NH2 . ARG   A 1 146 ? 46.857 4.613   28.868 1.00 55.50 ? 142  ARG   A NH2 1 
ATOM   1005 N N   . THR   A 1 147 ? 46.649 9.160   22.141 1.00 35.01 ? 143  THR   A N   1 
ATOM   1006 C CA  . THR   A 1 147 ? 45.968 9.295   20.865 1.00 34.17 ? 143  THR   A CA  1 
ATOM   1007 C C   . THR   A 1 147 ? 44.902 8.223   20.740 1.00 30.58 ? 143  THR   A C   1 
ATOM   1008 O O   . THR   A 1 147 ? 45.157 7.047   21.005 1.00 32.50 ? 143  THR   A O   1 
ATOM   1009 C CB  . THR   A 1 147 ? 46.949 9.192   19.708 1.00 35.91 ? 143  THR   A CB  1 
ATOM   1010 O OG1 . THR   A 1 147 ? 47.920 10.230  19.833 1.00 40.25 ? 143  THR   A OG1 1 
ATOM   1011 C CG2 . THR   A 1 147 ? 46.199 9.365   18.395 1.00 36.38 ? 143  THR   A CG2 1 
ATOM   1012 N N   . GLY   A 1 148 ? 43.697 8.640   20.350 1.00 30.61 ? 144  GLY   A N   1 
ATOM   1013 C CA  . GLY   A 1 148 ? 42.564 7.744   20.243 1.00 30.59 ? 144  GLY   A CA  1 
ATOM   1014 C C   . GLY   A 1 148 ? 41.792 7.538   21.526 1.00 30.03 ? 144  GLY   A C   1 
ATOM   1015 O O   . GLY   A 1 148 ? 40.692 6.985   21.481 1.00 31.50 ? 144  GLY   A O   1 
ATOM   1016 N N   . GLU   A 1 149 ? 42.314 7.991   22.659 1.00 28.86 ? 145  GLU   A N   1 
ATOM   1017 C CA  . GLU   A 1 149 ? 41.710 7.717   23.953 1.00 29.46 ? 145  GLU   A CA  1 
ATOM   1018 C C   . GLU   A 1 149 ? 40.661 8.768   24.309 1.00 24.47 ? 145  GLU   A C   1 
ATOM   1019 O O   . GLU   A 1 149 ? 40.719 9.916   23.863 1.00 28.03 ? 145  GLU   A O   1 
ATOM   1020 C CB  . GLU   A 1 149 ? 42.789 7.657   25.029 1.00 26.96 ? 145  GLU   A CB  1 
ATOM   1021 C CG  . GLU   A 1 149 ? 42.274 7.183   26.367 1.00 30.35 ? 145  GLU   A CG  1 
ATOM   1022 C CD  . GLU   A 1 149 ? 43.321 7.309   27.460 1.00 35.31 ? 145  GLU   A CD  1 
ATOM   1023 O OE1 . GLU   A 1 149 ? 44.434 7.831   27.168 1.00 32.22 ? 145  GLU   A OE1 1 
ATOM   1024 O OE2 . GLU   A 1 149 ? 43.021 6.886   28.607 1.00 34.84 ? 145  GLU   A OE2 1 
ATOM   1025 N N   . MET   A 1 150 ? 39.694 8.366   25.119 1.00 24.71 ? 146  MET   A N   1 
ATOM   1026 C CA  . MET   A 1 150 ? 38.566 9.217   25.462 1.00 24.39 ? 146  MET   A CA  1 
ATOM   1027 C C   . MET   A 1 150 ? 38.546 9.494   26.959 1.00 23.90 ? 146  MET   A C   1 
ATOM   1028 O O   . MET   A 1 150 ? 38.836 8.607   27.769 1.00 23.49 ? 146  MET   A O   1 
ATOM   1029 C CB  . MET   A 1 150 ? 37.248 8.567   25.034 1.00 25.29 ? 146  MET   A CB  1 
ATOM   1030 C CG  . MET   A 1 150 ? 36.021 9.414   25.280 1.00 24.99 ? 146  MET   A CG  1 
ATOM   1031 S SD  . MET   A 1 150 ? 34.551 8.604   24.643 1.00 27.15 ? 146  MET   A SD  1 
ATOM   1032 C CE  . MET   A 1 150 ? 34.344 7.297   25.844 1.00 23.77 ? 146  MET   A CE  1 
ATOM   1033 N N   . SER   A 1 151 ? 38.178 10.721  27.320 1.00 23.09 ? 147  SER   A N   1 
ATOM   1034 C CA  . SER   A 1 151 ? 38.133 11.128  28.718 1.00 23.82 ? 147  SER   A CA  1 
ATOM   1035 C C   . SER   A 1 151 ? 36.871 10.590  29.387 1.00 23.33 ? 147  SER   A C   1 
ATOM   1036 O O   . SER   A 1 151 ? 35.952 10.112  28.728 1.00 23.15 ? 147  SER   A O   1 
ATOM   1037 C CB  . SER   A 1 151 ? 38.163 12.649  28.830 1.00 19.25 ? 147  SER   A CB  1 
ATOM   1038 O OG  . SER   A 1 151 ? 36.892 13.180  28.477 1.00 21.57 ? 147  SER   A OG  1 
ATOM   1039 N N   . GLY   A 1 152 ? 36.841 10.654  30.716 1.00 24.96 ? 148  GLY   A N   1 
ATOM   1040 C CA  . GLY   A 1 152 ? 35.593 10.561  31.441 1.00 26.20 ? 148  GLY   A CA  1 
ATOM   1041 C C   . GLY   A 1 152 ? 34.969 11.943  31.468 1.00 23.61 ? 148  GLY   A C   1 
ATOM   1042 O O   . GLY   A 1 152 ? 35.429 12.847  30.769 1.00 23.35 ? 148  GLY   A O   1 
ATOM   1043 N N   . PRO   A 1 153 ? 33.930 12.150  32.270 1.00 23.75 ? 149  PRO   A N   1 
ATOM   1044 C CA  . PRO   A 1 153 ? 33.351 13.496  32.367 1.00 20.59 ? 149  PRO   A CA  1 
ATOM   1045 C C   . PRO   A 1 153 ? 34.397 14.486  32.859 1.00 25.22 ? 149  PRO   A C   1 
ATOM   1046 O O   . PRO   A 1 153 ? 35.062 14.252  33.870 1.00 28.15 ? 149  PRO   A O   1 
ATOM   1047 C CB  . PRO   A 1 153 ? 32.214 13.329  33.389 1.00 26.59 ? 149  PRO   A CB  1 
ATOM   1048 C CG  . PRO   A 1 153 ? 31.901 11.869  33.399 1.00 28.81 ? 149  PRO   A CG  1 
ATOM   1049 C CD  . PRO   A 1 153 ? 33.220 11.173  33.113 1.00 27.08 ? 149  PRO   A CD  1 
ATOM   1050 N N   . VAL   A 1 154 ? 34.539 15.605  32.147 1.00 24.02 ? 150  VAL   A N   1 
ATOM   1051 C CA  . VAL   A 1 154 ? 35.492 16.656  32.507 1.00 25.09 ? 150  VAL   A CA  1 
ATOM   1052 C C   . VAL   A 1 154 ? 34.724 17.956  32.699 1.00 25.64 ? 150  VAL   A C   1 
ATOM   1053 O O   . VAL   A 1 154 ? 33.990 18.385  31.800 1.00 24.99 ? 150  VAL   A O   1 
ATOM   1054 C CB  . VAL   A 1 154 ? 36.590 16.830  31.442 1.00 23.67 ? 150  VAL   A CB  1 
ATOM   1055 C CG1 . VAL   A 1 154 ? 37.422 18.093  31.716 1.00 24.82 ? 150  VAL   A CG1 1 
ATOM   1056 C CG2 . VAL   A 1 154 ? 37.483 15.610  31.413 1.00 25.54 ? 150  VAL   A CG2 1 
ATOM   1057 N N   . PHE   A 1 155 ? 34.910 18.594  33.855 1.00 24.58 ? 151  PHE   A N   1 
ATOM   1058 C CA  . PHE   A 1 155 ? 34.108 19.746  34.246 1.00 24.08 ? 151  PHE   A CA  1 
ATOM   1059 C C   . PHE   A 1 155 ? 34.856 21.049  33.982 1.00 28.75 ? 151  PHE   A C   1 
ATOM   1060 O O   . PHE   A 1 155 ? 36.032 21.186  34.348 1.00 28.38 ? 151  PHE   A O   1 
ATOM   1061 C CB  . PHE   A 1 155 ? 33.736 19.658  35.725 1.00 25.27 ? 151  PHE   A CB  1 
ATOM   1062 C CG  . PHE   A 1 155 ? 32.951 18.436  36.073 1.00 27.20 ? 151  PHE   A CG  1 
ATOM   1063 C CD1 . PHE   A 1 155 ? 33.582 17.201  36.202 1.00 24.65 ? 151  PHE   A CD1 1 
ATOM   1064 C CD2 . PHE   A 1 155 ? 31.579 18.520  36.279 1.00 24.52 ? 151  PHE   A CD2 1 
ATOM   1065 C CE1 . PHE   A 1 155 ? 32.838 16.063  36.524 1.00 28.52 ? 151  PHE   A CE1 1 
ATOM   1066 C CE2 . PHE   A 1 155 ? 30.839 17.400  36.601 1.00 24.03 ? 151  PHE   A CE2 1 
ATOM   1067 C CZ  . PHE   A 1 155 ? 31.464 16.172  36.724 1.00 25.15 ? 151  PHE   A CZ  1 
ATOM   1068 N N   . THR   A 1 156 ? 34.166 22.009  33.370 1.00 27.31 ? 152  THR   A N   1 
ATOM   1069 C CA  . THR   A 1 156 ? 34.684 23.361  33.193 1.00 30.24 ? 152  THR   A CA  1 
ATOM   1070 C C   . THR   A 1 156 ? 33.564 24.361  33.447 1.00 32.32 ? 152  THR   A C   1 
ATOM   1071 O O   . THR   A 1 156 ? 32.398 23.992  33.617 1.00 28.32 ? 152  THR   A O   1 
ATOM   1072 C CB  . THR   A 1 156 ? 35.211 23.589  31.782 1.00 29.88 ? 152  THR   A CB  1 
ATOM   1073 O OG1 . THR   A 1 156 ? 34.086 23.639  30.899 1.00 29.03 ? 152  THR   A OG1 1 
ATOM   1074 C CG2 . THR   A 1 156 ? 36.134 22.465  31.367 1.00 28.02 ? 152  THR   A CG2 1 
ATOM   1075 N N   . ASP   A 1 157 ? 33.912 25.649  33.395 1.00 31.60 ? 153  ASP   A N   1 
ATOM   1076 C CA  . ASP   A 1 157 ? 32.875 26.669  33.474 1.00 31.41 ? 153  ASP   A CA  1 
ATOM   1077 C C   . ASP   A 1 157 ? 31.880 26.572  32.327 1.00 35.05 ? 153  ASP   A C   1 
ATOM   1078 O O   . ASP   A 1 157 ? 30.794 27.148  32.425 1.00 35.27 ? 153  ASP   A O   1 
ATOM   1079 C CB  . ASP   A 1 157 ? 33.490 28.065  33.491 1.00 38.65 ? 153  ASP   A CB  1 
ATOM   1080 C CG  . ASP   A 1 157 ? 34.038 28.440  34.848 1.00 42.89 ? 153  ASP   A CG  1 
ATOM   1081 O OD1 . ASP   A 1 157 ? 33.937 27.621  35.795 1.00 40.89 ? 153  ASP   A OD1 1 
ATOM   1082 O OD2 . ASP   A 1 157 ? 34.562 29.565  34.965 1.00 48.69 ? 153  ASP   A OD2 1 
ATOM   1083 N N   . SER   A 1 158 ? 32.222 25.877  31.237 1.00 31.99 ? 154  SER   A N   1 
ATOM   1084 C CA  . SER   A 1 158 ? 31.275 25.749  30.133 1.00 31.72 ? 154  SER   A CA  1 
ATOM   1085 C C   . SER   A 1 158 ? 30.207 24.706  30.422 1.00 28.92 ? 154  SER   A C   1 
ATOM   1086 O O   . SER   A 1 158 ? 29.074 24.839  29.954 1.00 28.89 ? 154  SER   A O   1 
ATOM   1087 C CB  . SER   A 1 158 ? 31.990 25.375  28.831 1.00 29.58 ? 154  SER   A CB  1 
ATOM   1088 O OG  . SER   A 1 158 ? 33.032 26.271  28.531 1.00 35.90 ? 154  SER   A OG  1 
ATOM   1089 N N   . GLY   A 1 159 ? 30.546 23.676  31.171 1.00 27.66 ? 155  GLY   A N   1 
ATOM   1090 C CA  . GLY   A 1 159 ? 29.653 22.567  31.385 1.00 28.62 ? 155  GLY   A CA  1 
ATOM   1091 C C   . GLY   A 1 159 ? 30.471 21.307  31.621 1.00 27.91 ? 155  GLY   A C   1 
ATOM   1092 O O   . GLY   A 1 159 ? 31.504 21.361  32.284 1.00 29.18 ? 155  GLY   A O   1 
ATOM   1093 N N   . ILE   A 1 160 ? 29.999 20.194  31.060 1.00 27.42 ? 156  ILE   A N   1 
ATOM   1094 C CA  . ILE   A 1 160 ? 30.643 18.894  31.223 1.00 24.15 ? 156  ILE   A CA  1 
ATOM   1095 C C   . ILE   A 1 160 ? 31.007 18.365  29.843 1.00 25.70 ? 156  ILE   A C   1 
ATOM   1096 O O   . ILE   A 1 160 ? 30.165 18.359  28.936 1.00 24.23 ? 156  ILE   A O   1 
ATOM   1097 C CB  . ILE   A 1 160 ? 29.730 17.902  31.961 1.00 24.73 ? 156  ILE   A CB  1 
ATOM   1098 C CG1 . ILE   A 1 160 ? 29.023 18.585  33.130 1.00 26.31 ? 156  ILE   A CG1 1 
ATOM   1099 C CG2 . ILE   A 1 160 ? 30.528 16.733  32.482 1.00 26.05 ? 156  ILE   A CG2 1 
ATOM   1100 C CD1 . ILE   A 1 160 ? 28.100 17.667  33.907 1.00 25.31 ? 156  ILE   A CD1 1 
ATOM   1101 N N   . HIS   A 1 161 ? 32.249 17.916  29.690 1.00 23.42 ? 157  HIS   A N   1 
ATOM   1102 C CA  . HIS   A 1 161 ? 32.778 17.486  28.402 1.00 27.88 ? 157  HIS   A CA  1 
ATOM   1103 C C   . HIS   A 1 161 ? 33.091 15.995  28.414 1.00 24.65 ? 157  HIS   A C   1 
ATOM   1104 O O   . HIS   A 1 161 ? 33.472 15.433  29.445 1.00 22.60 ? 157  HIS   A O   1 
ATOM   1105 C CB  . HIS   A 1 161 ? 34.085 18.219  28.034 1.00 24.82 ? 157  HIS   A CB  1 
ATOM   1106 C CG  . HIS   A 1 161 ? 34.036 19.707  28.198 1.00 27.11 ? 157  HIS   A CG  1 
ATOM   1107 N ND1 . HIS   A 1 161 ? 33.926 20.568  27.127 1.00 24.96 ? 157  HIS   A ND1 1 
ATOM   1108 C CD2 . HIS   A 1 161 ? 34.119 20.487  29.302 1.00 28.44 ? 157  HIS   A CD2 1 
ATOM   1109 C CE1 . HIS   A 1 161 ? 33.921 21.813  27.565 1.00 29.08 ? 157  HIS   A CE1 1 
ATOM   1110 N NE2 . HIS   A 1 161 ? 34.040 21.791  28.882 1.00 29.87 ? 157  HIS   A NE2 1 
ATOM   1111 N N   . ILE   A 1 162 ? 32.945 15.373  27.245 1.00 22.47 ? 158  ILE   A N   1 
ATOM   1112 C CA  . ILE   A 1 162 ? 33.652 14.150  26.892 1.00 21.89 ? 158  ILE   A CA  1 
ATOM   1113 C C   . ILE   A 1 162 ? 34.685 14.546  25.847 1.00 24.32 ? 158  ILE   A C   1 
ATOM   1114 O O   . ILE   A 1 162 ? 34.336 15.186  24.848 1.00 23.15 ? 158  ILE   A O   1 
ATOM   1115 C CB  . ILE   A 1 162 ? 32.704 13.075  26.335 1.00 22.93 ? 158  ILE   A CB  1 
ATOM   1116 C CG1 . ILE   A 1 162 ? 31.561 12.789  27.305 1.00 25.51 ? 158  ILE   A CG1 1 
ATOM   1117 C CG2 . ILE   A 1 162 ? 33.472 11.793  26.054 1.00 22.37 ? 158  ILE   A CG2 1 
ATOM   1118 C CD1 . ILE   A 1 162 ? 30.384 12.096  26.630 1.00 26.18 ? 158  ILE   A CD1 1 
ATOM   1119 N N   . ILE   A 1 163 ? 35.948 14.191  26.077 1.00 22.42 ? 159  ILE   A N   1 
ATOM   1120 C CA  . ILE   A 1 163 ? 37.042 14.605  25.199 1.00 21.93 ? 159  ILE   A CA  1 
ATOM   1121 C C   . ILE   A 1 163 ? 37.616 13.379  24.499 1.00 22.87 ? 159  ILE   A C   1 
ATOM   1122 O O   . ILE   A 1 163 ? 37.952 12.380  25.149 1.00 23.06 ? 159  ILE   A O   1 
ATOM   1123 C CB  . ILE   A 1 163 ? 38.149 15.350  25.966 1.00 18.03 ? 159  ILE   A CB  1 
ATOM   1124 C CG1 . ILE   A 1 163 ? 37.565 16.506  26.797 1.00 21.20 ? 159  ILE   A CG1 1 
ATOM   1125 C CG2 . ILE   A 1 163 ? 39.168 15.875  24.992 1.00 18.67 ? 159  ILE   A CG2 1 
ATOM   1126 C CD1 . ILE   A 1 163 ? 38.597 17.236  27.673 1.00 22.53 ? 159  ILE   A CD1 1 
ATOM   1127 N N   . LEU   A 1 164 ? 37.737 13.459  23.177 1.00 22.36 ? 160  LEU   A N   1 
ATOM   1128 C CA  . LEU   A 1 164 ? 38.389 12.421  22.383 1.00 21.15 ? 160  LEU   A CA  1 
ATOM   1129 C C   . LEU   A 1 164 ? 39.642 13.012  21.759 1.00 21.50 ? 160  LEU   A C   1 
ATOM   1130 O O   . LEU   A 1 164 ? 39.552 13.941  20.958 1.00 24.68 ? 160  LEU   A O   1 
ATOM   1131 C CB  . LEU   A 1 164 ? 37.470 11.888  21.286 1.00 22.77 ? 160  LEU   A CB  1 
ATOM   1132 C CG  . LEU   A 1 164 ? 38.085 10.803  20.391 1.00 24.78 ? 160  LEU   A CG  1 
ATOM   1133 C CD1 . LEU   A 1 164 ? 38.407 9.524   21.182 1.00 25.43 ? 160  LEU   A CD1 1 
ATOM   1134 C CD2 . LEU   A 1 164 ? 37.135 10.492  19.241 1.00 28.03 ? 160  LEU   A CD2 1 
ATOM   1135 N N   . ARG   A 1 165 ? 40.804 12.483  22.128 1.00 24.22 ? 161  ARG   A N   1 
ATOM   1136 C CA  . ARG   A 1 165 ? 42.050 12.939  21.530 1.00 27.32 ? 161  ARG   A CA  1 
ATOM   1137 C C   . ARG   A 1 165 ? 42.255 12.220  20.203 1.00 27.04 ? 161  ARG   A C   1 
ATOM   1138 O O   . ARG   A 1 165 ? 42.369 10.993  20.165 1.00 25.53 ? 161  ARG   A O   1 
ATOM   1139 C CB  . ARG   A 1 165 ? 43.240 12.704  22.460 1.00 27.74 ? 161  ARG   A CB  1 
ATOM   1140 C CG  . ARG   A 1 165 ? 44.501 13.273  21.852 1.00 30.16 ? 161  ARG   A CG  1 
ATOM   1141 C CD  . ARG   A 1 165 ? 45.739 13.053  22.669 1.00 28.53 ? 161  ARG   A CD  1 
ATOM   1142 N NE  . ARG   A 1 165 ? 46.910 13.299  21.833 1.00 33.78 ? 161  ARG   A NE  1 
ATOM   1143 C CZ  . ARG   A 1 165 ? 48.131 12.850  22.098 1.00 37.69 ? 161  ARG   A CZ  1 
ATOM   1144 N NH1 . ARG   A 1 165 ? 48.389 12.161  23.198 1.00 37.61 ? 161  ARG   A NH1 1 
ATOM   1145 N NH2 . ARG   A 1 165 ? 49.112 13.082  21.228 1.00 35.26 ? 161  ARG   A NH2 1 
ATOM   1146 N N   . THR   A 1 166 ? 42.306 12.987  19.119 1.00 24.82 ? 162  THR   A N   1 
ATOM   1147 C CA  . THR   A 1 166 ? 42.441 12.430  17.782 1.00 27.37 ? 162  THR   A CA  1 
ATOM   1148 C C   . THR   A 1 166 ? 43.855 12.520  17.217 1.00 30.40 ? 162  THR   A C   1 
ATOM   1149 O O   . THR   A 1 166 ? 44.187 11.757  16.307 1.00 30.41 ? 162  THR   A O   1 
ATOM   1150 C CB  . THR   A 1 166 ? 41.471 13.138  16.841 1.00 27.22 ? 162  THR   A CB  1 
ATOM   1151 O OG1 . THR   A 1 166 ? 41.747 14.544  16.852 1.00 27.25 ? 162  THR   A OG1 1 
ATOM   1152 C CG2 . THR   A 1 166 ? 40.053 12.917  17.314 1.00 28.39 ? 162  THR   A CG2 1 
ATOM   1153 N N   . GLU   A 1 167 ? 44.685 13.429  17.718 1.00 30.60 ? 163  GLU   A N   1 
ATOM   1154 C CA  . GLU   A 1 167 ? 46.067 13.549  17.259 1.00 31.19 ? 163  GLU   A CA  1 
ATOM   1155 C C   . GLU   A 1 167 ? 46.949 13.991  18.406 1.00 31.22 ? 163  GLU   A C   1 
ATOM   1156 O O   . GLU   A 1 167 ? 48.151 13.742  18.426 1.00 30.47 ? 163  GLU   A O   1 
ATOM   1157 C CB  . GLU   A 1 167 ? 46.188 14.551  16.105 1.00 32.42 ? 163  GLU   A CB  1 
ATOM   1158 C CG  . GLU   A 1 167 ? 45.521 14.139  14.801 1.00 37.25 ? 163  GLU   A CG  1 
ATOM   1159 C CD  . GLU   A 1 167 ? 45.665 15.214  13.713 1.00 40.48 ? 163  GLU   A CD  1 
ATOM   1160 O OE1 . GLU   A 1 167 ? 46.564 16.084  13.849 1.00 39.47 ? 163  GLU   A OE1 1 
ATOM   1161 O OE2 . GLU   A 1 167 ? 44.875 15.195  12.738 1.00 40.23 ? 163  GLU   A OE2 1 
ATOM   1162 O OXT . GLU   A 1 167 ? 46.465 14.624  19.344 1.00 30.60 ? 163  GLU   A OXT 1 
HETATM 1163 C C4  . A1AEM B 2 .   ? 36.017 6.053   39.254 1.00 43.10 ? 901  A1AEM A C4  1 
HETATM 1164 C C5  . A1AEM B 2 .   ? 35.921 5.318   40.424 1.00 41.24 ? 901  A1AEM A C5  1 
HETATM 1165 C C6  . A1AEM B 2 .   ? 34.785 5.401   41.214 1.00 40.77 ? 901  A1AEM A C6  1 
HETATM 1166 C C7  . A1AEM B 2 .   ? 33.756 6.241   40.838 1.00 43.33 ? 901  A1AEM A C7  1 
HETATM 1167 C C1  . A1AEM B 2 .   ? 32.733 7.891   39.255 1.00 50.53 ? 901  A1AEM A C1  1 
HETATM 1168 C C2  . A1AEM B 2 .   ? 33.845 6.991   39.673 1.00 45.07 ? 901  A1AEM A C2  1 
HETATM 1169 C C3  . A1AEM B 2 .   ? 34.979 6.882   38.882 1.00 47.14 ? 901  A1AEM A C3  1 
HETATM 1170 O O11 . A1AEM B 2 .   ? 37.233 4.058   42.285 1.00 43.24 ? 901  A1AEM A O11 1 
HETATM 1171 O O13 . A1AEM B 2 .   ? 38.416 4.607   40.184 1.00 42.93 ? 901  A1AEM A O13 1 
HETATM 1172 O O8  . A1AEM B 2 .   ? 31.764 8.024   40.033 1.00 52.91 ? 901  A1AEM A O8  1 
HETATM 1173 O O9  . A1AEM B 2 .   ? 32.835 8.447   38.141 1.00 54.13 ? 901  A1AEM A O9  1 
HETATM 1174 S S10 . A1AEM B 2 .   ? 37.225 4.249   40.874 1.00 45.82 ? 901  A1AEM A S10 1 
HETATM 1175 H H4  . A1AEM B 2 .   ? 36.783 5.987   38.719 1.00 51.70 ? 901  A1AEM A H4  1 
HETATM 1176 H H6  . A1AEM B 2 .   ? 34.718 4.891   41.997 1.00 48.90 ? 901  A1AEM A H6  1 
HETATM 1177 H H7  . A1AEM B 2 .   ? 32.988 6.303   41.379 1.00 51.98 ? 901  A1AEM A H7  1 
HETATM 1178 H H3  . A1AEM B 2 .   ? 35.043 7.376   38.083 1.00 56.55 ? 901  A1AEM A H3  1 
HETATM 1179 S S   . SO4   C 3 .   ? 30.490 28.987  27.415 1.00 62.12 ? 902  SO4   A S   1 
HETATM 1180 O O1  . SO4   C 3 .   ? 30.440 30.441  27.617 1.00 57.04 ? 902  SO4   A O1  1 
HETATM 1181 O O2  . SO4   C 3 .   ? 30.088 28.660  26.033 1.00 46.18 ? 902  SO4   A O2  1 
HETATM 1182 O O3  . SO4   C 3 .   ? 29.617 28.357  28.435 1.00 46.97 ? 902  SO4   A O3  1 
HETATM 1183 O O4  . SO4   C 3 .   ? 31.871 28.546  27.618 1.00 53.92 ? 902  SO4   A O4  1 
HETATM 1184 S S   . SO4   D 3 .   ? 50.533 9.064   22.252 1.00 66.37 ? 903  SO4   A S   1 
HETATM 1185 O O1  . SO4   D 3 .   ? 51.507 9.068   21.144 1.00 62.72 ? 903  SO4   A O1  1 
HETATM 1186 O O2  . SO4   D 3 .   ? 49.176 9.195   21.713 1.00 52.59 ? 903  SO4   A O2  1 
HETATM 1187 O O3  . SO4   D 3 .   ? 50.616 7.793   22.990 1.00 59.68 ? 903  SO4   A O3  1 
HETATM 1188 O O4  . SO4   D 3 .   ? 50.837 10.194  23.155 1.00 58.86 ? 903  SO4   A O4  1 
HETATM 1189 O O1  . PE4   E 4 .   ? 30.792 5.183   36.176 1.00 48.03 ? 904  PE4   A O1  1 
HETATM 1190 C C1  . PE4   E 4 .   ? 32.172 4.994   35.954 1.00 44.38 ? 904  PE4   A C1  1 
HETATM 1191 C C2  . PE4   E 4 .   ? 32.861 4.581   37.230 1.00 47.33 ? 904  PE4   A C2  1 
HETATM 1192 O O2  . PE4   E 4 .   ? 33.242 3.231   37.137 1.00 44.71 ? 904  PE4   A O2  1 
HETATM 1193 C C3  . PE4   E 4 .   ? 34.076 2.798   38.183 1.00 42.31 ? 904  PE4   A C3  1 
HETATM 1194 C C4  . PE4   E 4 .   ? 34.351 1.317   38.055 1.00 43.09 ? 904  PE4   A C4  1 
HETATM 1195 O O3  . PE4   E 4 .   ? 34.834 1.012   36.762 1.00 40.46 ? 904  PE4   A O3  1 
HETATM 1196 C C5  . PE4   E 4 .   ? 35.608 -0.169  36.727 1.00 36.82 ? 904  PE4   A C5  1 
HETATM 1197 C C6  . PE4   E 4 .   ? 36.412 -0.241  35.454 1.00 34.11 ? 904  PE4   A C6  1 
HETATM 1198 O O4  . PE4   E 4 .   ? 35.490 -0.291  34.407 1.00 31.52 ? 904  PE4   A O4  1 
HETATM 1199 C C7  . PE4   E 4 .   ? 36.119 -0.118  33.156 1.00 35.39 ? 904  PE4   A C7  1 
HETATM 1200 C C8  . PE4   E 4 .   ? 35.091 -0.280  32.058 1.00 36.20 ? 904  PE4   A C8  1 
HETATM 1201 O O5  . PE4   E 4 .   ? 34.011 0.584   32.304 1.00 40.96 ? 904  PE4   A O5  1 
HETATM 1202 C C9  . PE4   E 4 .   ? 33.217 0.899   31.183 1.00 35.58 ? 904  PE4   A C9  1 
HETATM 1203 C C10 . PE4   E 4 .   ? 32.320 2.072   31.524 1.00 35.12 ? 904  PE4   A C10 1 
HETATM 1204 O O6  . PE4   E 4 .   ? 33.063 3.271   31.713 1.00 34.57 ? 904  PE4   A O6  1 
HETATM 1205 C C11 . PE4   E 4 .   ? 32.238 4.313   32.155 1.00 38.37 ? 904  PE4   A C11 1 
HETATM 1206 C C12 . PE4   E 4 .   ? 33.080 5.482   32.586 1.00 39.69 ? 904  PE4   A C12 1 
HETATM 1207 O O7  . PE4   E 4 .   ? 34.010 5.742   31.584 1.00 39.27 ? 904  PE4   A O7  1 
HETATM 1208 C C13 . PE4   E 4 .   ? 34.778 6.867   31.912 1.00 34.87 ? 904  PE4   A C13 1 
HETATM 1209 C C14 . PE4   E 4 .   ? 35.694 7.206   30.756 1.00 33.52 ? 904  PE4   A C14 1 
HETATM 1210 O O8  . PE4   E 4 .   ? 36.610 6.175   30.428 1.00 34.97 ? 904  PE4   A O8  1 
HETATM 1211 C C15 . PE4   E 4 .   ? 37.069 6.333   29.074 1.00 39.43 ? 904  PE4   A C15 1 
HETATM 1212 C C16 . PE4   E 4 .   ? 38.381 5.622   28.755 1.00 34.57 ? 904  PE4   A C16 1 
HETATM 1213 O O   . HOH   F 5 .   ? 18.407 12.828  35.323 1.00 50.08 ? 1001 HOH   A O   1 
HETATM 1214 O O   . HOH   F 5 .   ? 47.709 25.431  32.192 1.00 40.36 ? 1002 HOH   A O   1 
HETATM 1215 O O   . HOH   F 5 .   ? 50.690 7.433   37.054 1.00 50.33 ? 1003 HOH   A O   1 
HETATM 1216 O O   . HOH   F 5 .   ? 51.207 9.795   36.823 1.00 63.29 ? 1004 HOH   A O   1 
HETATM 1217 O O   . HOH   F 5 .   ? 54.784 2.590   36.255 1.00 53.64 ? 1005 HOH   A O   1 
HETATM 1218 O O   . HOH   F 5 .   ? 51.083 5.351   28.649 1.00 64.77 ? 1006 HOH   A O   1 
HETATM 1219 O O   . HOH   F 5 .   ? 44.784 4.417   27.924 1.00 41.13 ? 1007 HOH   A O   1 
HETATM 1220 O O   . HOH   F 5 .   ? 19.729 18.691  19.155 1.00 41.49 ? 1008 HOH   A O   1 
HETATM 1221 O O   . HOH   F 5 .   ? 53.097 2.547   38.186 1.00 51.82 ? 1009 HOH   A O   1 
HETATM 1222 O O   . HOH   F 5 .   ? 39.334 -5.229  27.451 1.00 36.10 ? 1010 HOH   A O   1 
HETATM 1223 O O   . HOH   F 5 .   ? 44.506 9.168   44.101 1.00 43.29 ? 1011 HOH   A O   1 
HETATM 1224 O O   . HOH   F 5 .   ? 30.887 19.457  20.115 1.00 21.67 ? 1012 HOH   A O   1 
HETATM 1225 O O   . HOH   F 5 .   ? 31.061 8.302   33.228 1.00 32.73 ? 1013 HOH   A O   1 
HETATM 1226 O O   . HOH   F 5 .   ? 39.278 13.738  38.726 1.00 27.08 ? 1014 HOH   A O   1 
HETATM 1227 O O   . HOH   F 5 .   ? 35.087 14.336  15.851 1.00 28.13 ? 1015 HOH   A O   1 
HETATM 1228 O O   . HOH   F 5 .   ? 44.634 26.991  30.015 1.00 41.32 ? 1016 HOH   A O   1 
HETATM 1229 O O   . HOH   F 5 .   ? 19.199 13.500  16.865 1.00 36.79 ? 1017 HOH   A O   1 
HETATM 1230 O O   . HOH   F 5 .   ? 29.631 12.123  9.509  1.00 38.79 ? 1018 HOH   A O   1 
HETATM 1231 O O   . HOH   F 5 .   ? 53.335 9.051   35.474 1.00 48.18 ? 1019 HOH   A O   1 
HETATM 1232 O O   . HOH   F 5 .   ? 45.960 8.779   29.369 1.00 33.65 ? 1020 HOH   A O   1 
HETATM 1233 O O   . HOH   F 5 .   ? 49.948 15.830  18.518 1.00 37.54 ? 1021 HOH   A O   1 
HETATM 1234 O O   . HOH   F 5 .   ? 43.382 8.879   30.502 1.00 30.38 ? 1022 HOH   A O   1 
HETATM 1235 O O   . HOH   F 5 .   ? 45.970 21.253  36.982 1.00 42.90 ? 1023 HOH   A O   1 
HETATM 1236 O O   . HOH   F 5 .   ? 22.009 8.202   17.804 1.00 49.76 ? 1024 HOH   A O   1 
HETATM 1237 O O   . HOH   F 5 .   ? 22.139 16.316  25.886 1.00 34.45 ? 1025 HOH   A O   1 
HETATM 1238 O O   . HOH   F 5 .   ? 17.698 17.121  23.161 1.00 49.58 ? 1026 HOH   A O   1 
HETATM 1239 O O   . HOH   F 5 .   ? 41.378 4.834   29.056 1.00 33.40 ? 1027 HOH   A O   1 
HETATM 1240 O O   . HOH   F 5 .   ? 46.861 5.340   19.972 1.00 49.82 ? 1028 HOH   A O   1 
HETATM 1241 O O   . HOH   F 5 .   ? 41.659 -5.363  35.801 1.00 35.39 ? 1029 HOH   A O   1 
HETATM 1242 O O   . HOH   F 5 .   ? 34.696 0.128   24.962 1.00 26.91 ? 1030 HOH   A O   1 
HETATM 1243 O O   . HOH   F 5 .   ? 20.592 21.303  25.251 1.00 33.15 ? 1031 HOH   A O   1 
HETATM 1244 O O   . HOH   F 5 .   ? 36.435 29.647  36.830 1.00 44.56 ? 1032 HOH   A O   1 
HETATM 1245 O O   . HOH   F 5 .   ? 28.720 16.836  12.362 1.00 25.78 ? 1033 HOH   A O   1 
HETATM 1246 O O   . HOH   F 5 .   ? 50.461 10.311  19.019 1.00 50.86 ? 1034 HOH   A O   1 
HETATM 1247 O O   . HOH   F 5 .   ? 39.401 15.944  16.498 1.00 28.00 ? 1035 HOH   A O   1 
HETATM 1248 O O   . HOH   F 5 .   ? 36.365 -9.546  42.699 1.00 55.73 ? 1036 HOH   A O   1 
HETATM 1249 O O   . HOH   F 5 .   ? 48.357 6.900   30.076 1.00 46.50 ? 1037 HOH   A O   1 
HETATM 1250 O O   . HOH   F 5 .   ? 27.681 6.644   12.901 1.00 45.59 ? 1038 HOH   A O   1 
HETATM 1251 O O   . HOH   F 5 .   ? 45.041 24.891  26.027 1.00 37.63 ? 1039 HOH   A O   1 
HETATM 1252 O O   . HOH   F 5 .   ? 15.866 27.481  21.566 1.00 48.26 ? 1040 HOH   A O   1 
HETATM 1253 O O   . HOH   F 5 .   ? 25.304 19.384  14.647 1.00 25.72 ? 1041 HOH   A O   1 
HETATM 1254 O O   . HOH   F 5 .   ? 34.233 2.437   34.537 1.00 40.25 ? 1042 HOH   A O   1 
HETATM 1255 O O   . HOH   F 5 .   ? 47.364 3.235   42.981 1.00 46.02 ? 1043 HOH   A O   1 
HETATM 1256 O O   . HOH   F 5 .   ? 34.705 -4.175  45.702 1.00 47.70 ? 1044 HOH   A O   1 
HETATM 1257 O O   . HOH   F 5 .   ? 48.882 21.409  34.407 1.00 41.91 ? 1045 HOH   A O   1 
HETATM 1258 O O   . HOH   F 5 .   ? 25.241 10.286  36.936 1.00 43.78 ? 1046 HOH   A O   1 
HETATM 1259 O O   . HOH   F 5 .   ? 41.416 17.741  34.123 1.00 28.39 ? 1047 HOH   A O   1 
HETATM 1260 O O   . HOH   F 5 .   ? 23.056 18.676  25.246 1.00 29.54 ? 1048 HOH   A O   1 
HETATM 1261 O O   . HOH   F 5 .   ? 24.605 30.328  34.366 1.00 48.03 ? 1049 HOH   A O   1 
HETATM 1262 O O   . HOH   F 5 .   ? 37.435 20.427  36.582 1.00 29.02 ? 1050 HOH   A O   1 
HETATM 1263 O O   . HOH   F 5 .   ? 18.833 17.313  39.525 1.00 32.63 ? 1051 HOH   A O   1 
HETATM 1264 O O   . HOH   F 5 .   ? 38.629 -1.116  30.115 1.00 33.62 ? 1052 HOH   A O   1 
HETATM 1265 O O   . HOH   F 5 .   ? 18.999 28.659  32.882 1.00 36.52 ? 1053 HOH   A O   1 
HETATM 1266 O O   . HOH   F 5 .   ? 32.160 3.688   19.745 1.00 31.40 ? 1054 HOH   A O   1 
HETATM 1267 O O   . HOH   F 5 .   ? 49.431 11.720  17.036 1.00 41.54 ? 1055 HOH   A O   1 
HETATM 1268 O O   . HOH   F 5 .   ? 16.585 17.939  32.541 1.00 51.13 ? 1056 HOH   A O   1 
HETATM 1269 O O   . HOH   F 5 .   ? 26.490 23.511  16.361 1.00 46.30 ? 1057 HOH   A O   1 
HETATM 1270 O O   . HOH   F 5 .   ? 22.625 5.568   27.802 1.00 45.09 ? 1058 HOH   A O   1 
HETATM 1271 O O   . HOH   F 5 .   ? 45.816 18.534  12.773 1.00 52.67 ? 1059 HOH   A O   1 
HETATM 1272 O O   . HOH   F 5 .   ? 26.272 6.107   15.718 1.00 40.17 ? 1060 HOH   A O   1 
HETATM 1273 O O   . HOH   F 5 .   ? 35.572 7.170   35.070 1.00 34.76 ? 1061 HOH   A O   1 
HETATM 1274 O O   . HOH   F 5 .   ? 53.136 20.574  25.904 1.00 45.33 ? 1062 HOH   A O   1 
HETATM 1275 O O   . HOH   F 5 .   ? 42.824 9.391   15.686 1.00 63.13 ? 1063 HOH   A O   1 
HETATM 1276 O O   . HOH   F 5 .   ? 33.917 1.258   41.471 1.00 39.03 ? 1064 HOH   A O   1 
HETATM 1277 O O   . HOH   F 5 .   ? 19.620 13.686  32.832 1.00 33.25 ? 1065 HOH   A O   1 
HETATM 1278 O O   . HOH   F 5 .   ? 30.245 22.087  34.982 1.00 30.16 ? 1066 HOH   A O   1 
HETATM 1279 O O   . HOH   F 5 .   ? 47.055 15.952  39.399 1.00 45.46 ? 1067 HOH   A O   1 
HETATM 1280 O O   . HOH   F 5 .   ? 34.569 -3.881  30.406 1.00 40.59 ? 1068 HOH   A O   1 
HETATM 1281 O O   . HOH   F 5 .   ? 22.563 10.152  27.795 1.00 27.22 ? 1069 HOH   A O   1 
HETATM 1282 O O   . HOH   F 5 .   ? 47.996 17.106  31.597 1.00 30.73 ? 1070 HOH   A O   1 
HETATM 1283 O O   . HOH   F 5 .   ? 39.900 -6.839  34.116 1.00 38.13 ? 1071 HOH   A O   1 
HETATM 1284 O O   . HOH   F 5 .   ? 14.835 27.488  25.388 1.00 38.01 ? 1072 HOH   A O   1 
HETATM 1285 O O   . HOH   F 5 .   ? 49.570 11.818  26.820 1.00 36.54 ? 1073 HOH   A O   1 
HETATM 1286 O O   . HOH   F 5 .   ? 21.376 8.857   23.557 1.00 57.81 ? 1074 HOH   A O   1 
HETATM 1287 O O   . HOH   F 5 .   ? 51.859 22.591  24.889 1.00 37.99 ? 1075 HOH   A O   1 
HETATM 1288 O O   . HOH   F 5 .   ? 18.164 22.058  29.484 1.00 35.52 ? 1076 HOH   A O   1 
HETATM 1289 O O   . HOH   F 5 .   ? 50.536 23.461  32.646 1.00 47.27 ? 1077 HOH   A O   1 
HETATM 1290 O O   . HOH   F 5 .   ? 20.625 29.763  34.852 1.00 45.68 ? 1078 HOH   A O   1 
HETATM 1291 O O   . HOH   F 5 .   ? 24.166 12.901  38.277 1.00 45.02 ? 1079 HOH   A O   1 
HETATM 1292 O O   . HOH   F 5 .   ? 30.903 18.160  9.347  1.00 24.78 ? 1080 HOH   A O   1 
HETATM 1293 O O   . HOH   F 5 .   ? 36.695 12.070  14.224 1.00 45.72 ? 1081 HOH   A O   1 
HETATM 1294 O O   . HOH   F 5 .   ? 27.137 27.136  23.134 1.00 46.20 ? 1082 HOH   A O   1 
HETATM 1295 O O   . HOH   F 5 .   ? 38.465 5.779   22.908 1.00 31.30 ? 1083 HOH   A O   1 
HETATM 1296 O O   . HOH   F 5 .   ? 36.446 1.947   44.853 1.00 43.05 ? 1084 HOH   A O   1 
HETATM 1297 O O   . HOH   F 5 .   ? 45.743 3.696   44.667 1.00 59.64 ? 1085 HOH   A O   1 
HETATM 1298 O O   . HOH   F 5 .   ? 26.115 26.924  20.428 1.00 36.62 ? 1086 HOH   A O   1 
HETATM 1299 O O   . HOH   F 5 .   ? 27.073 34.765  30.011 1.00 49.05 ? 1087 HOH   A O   1 
HETATM 1300 O O   . HOH   F 5 .   ? 37.056 26.004  33.497 1.00 36.76 ? 1088 HOH   A O   1 
HETATM 1301 O O   . HOH   F 5 .   ? 28.591 2.798   33.448 1.00 43.84 ? 1089 HOH   A O   1 
HETATM 1302 O O   . HOH   F 5 .   ? 19.908 12.687  24.307 1.00 37.38 ? 1090 HOH   A O   1 
HETATM 1303 O O   . HOH   F 5 .   ? 22.897 23.170  38.311 1.00 47.23 ? 1091 HOH   A O   1 
HETATM 1304 O O   . HOH   F 5 .   ? 29.310 6.069   31.922 1.00 28.54 ? 1092 HOH   A O   1 
HETATM 1305 O O   . HOH   F 5 .   ? 41.417 -8.020  40.395 1.00 44.96 ? 1093 HOH   A O   1 
HETATM 1306 O O   . HOH   F 5 .   ? 30.336 27.747  35.561 1.00 39.28 ? 1094 HOH   A O   1 
HETATM 1307 O O   . HOH   F 5 .   ? 35.147 16.648  11.609 1.00 43.01 ? 1095 HOH   A O   1 
HETATM 1308 O O   . HOH   F 5 .   ? 38.832 1.568   45.155 1.00 45.44 ? 1096 HOH   A O   1 
HETATM 1309 O O   . HOH   F 5 .   ? 42.839 16.757  37.884 1.00 42.47 ? 1097 HOH   A O   1 
HETATM 1310 O O   . HOH   F 5 .   ? 34.849 -7.006  32.779 1.00 39.96 ? 1098 HOH   A O   1 
HETATM 1311 O O   . HOH   F 5 .   ? 33.291 -6.288  33.752 1.00 30.16 ? 1099 HOH   A O   1 
HETATM 1312 O O   . HOH   F 5 .   ? 29.053 25.632  13.601 1.00 37.16 ? 1100 HOH   A O   1 
HETATM 1313 O O   . HOH   F 5 .   ? 21.562 4.112   21.034 1.00 45.31 ? 1101 HOH   A O   1 
HETATM 1314 O O   . HOH   F 5 .   ? 17.956 17.768  29.314 1.00 40.53 ? 1102 HOH   A O   1 
HETATM 1315 O O   . HOH   F 5 .   ? 29.066 27.227  39.139 1.00 42.91 ? 1103 HOH   A O   1 
HETATM 1316 O O   . HOH   F 5 .   ? 28.580 12.443  12.973 1.00 38.83 ? 1104 HOH   A O   1 
HETATM 1317 O O   . HOH   F 5 .   ? 41.792 27.532  20.578 1.00 49.90 ? 1105 HOH   A O   1 
HETATM 1318 O O   . HOH   F 5 .   ? 20.191 9.172   18.892 1.00 50.32 ? 1106 HOH   A O   1 
HETATM 1319 O O   . HOH   F 5 .   ? 30.327 9.968   36.638 1.00 37.56 ? 1107 HOH   A O   1 
HETATM 1320 O O   . HOH   F 5 .   ? 37.718 25.200  26.943 1.00 36.55 ? 1108 HOH   A O   1 
HETATM 1321 O O   . HOH   F 5 .   ? 32.359 -1.033  34.651 1.00 43.79 ? 1109 HOH   A O   1 
HETATM 1322 O O   . HOH   F 5 .   ? 17.232 16.145  19.577 1.00 47.34 ? 1110 HOH   A O   1 
HETATM 1323 O O   . HOH   F 5 .   ? 33.623 24.803  25.715 1.00 33.55 ? 1111 HOH   A O   1 
HETATM 1324 O O   . HOH   F 5 .   ? 27.545 9.949   38.469 1.00 39.80 ? 1112 HOH   A O   1 
HETATM 1325 O O   . HOH   F 5 .   ? 36.858 1.099   29.384 1.00 38.49 ? 1113 HOH   A O   1 
HETATM 1326 O O   . HOH   F 5 .   ? 15.873 31.046  35.627 1.00 55.07 ? 1114 HOH   A O   1 
HETATM 1327 O O   . HOH   F 5 .   ? 24.310 8.538   35.768 1.00 40.59 ? 1115 HOH   A O   1 
HETATM 1328 O O   . HOH   F 5 .   ? 47.465 28.147  17.043 1.00 55.79 ? 1116 HOH   A O   1 
HETATM 1329 O O   . HOH   F 5 .   ? 47.858 9.295   40.446 1.00 47.32 ? 1117 HOH   A O   1 
HETATM 1330 O O   . HOH   F 5 .   ? 28.894 9.695   12.798 1.00 38.55 ? 1118 HOH   A O   1 
HETATM 1331 O O   . HOH   F 5 .   ? 35.613 13.655  12.581 1.00 54.08 ? 1119 HOH   A O   1 
HETATM 1332 O O   . HOH   F 5 .   ? 26.203 3.251   15.134 1.00 45.62 ? 1120 HOH   A O   1 
HETATM 1333 O O   . HOH   F 5 .   ? 49.742 10.478  39.580 1.00 49.57 ? 1121 HOH   A O   1 
HETATM 1334 O O   . HOH   F 5 .   ? 48.304 17.744  34.349 1.00 37.96 ? 1122 HOH   A O   1 
HETATM 1335 O O   . HOH   F 5 .   ? 15.933 17.691  22.075 1.00 48.74 ? 1123 HOH   A O   1 
HETATM 1336 O O   . HOH   F 5 .   ? 20.869 9.599   29.908 1.00 31.87 ? 1124 HOH   A O   1 
HETATM 1337 O O   . HOH   F 5 .   ? 19.077 16.520  25.857 1.00 35.85 ? 1125 HOH   A O   1 
HETATM 1338 O O   . HOH   F 5 .   ? 39.411 14.584  13.881 1.00 33.38 ? 1126 HOH   A O   1 
HETATM 1339 O O   . HOH   F 5 .   ? 35.795 -6.406  30.553 1.00 27.59 ? 1127 HOH   A O   1 
HETATM 1340 O O   . HOH   F 5 .   ? 15.817 20.172  29.470 1.00 50.51 ? 1128 HOH   A O   1 
HETATM 1341 O O   . HOH   F 5 .   ? 41.156 30.451  28.659 1.00 47.24 ? 1129 HOH   A O   1 
HETATM 1342 O O   . HOH   F 5 .   ? 29.754 15.895  9.690  1.00 27.30 ? 1130 HOH   A O   1 
HETATM 1343 O O   . HOH   F 5 .   ? 14.391 26.121  22.139 1.00 38.76 ? 1131 HOH   A O   1 
HETATM 1344 O O   . HOH   F 5 .   ? 32.179 12.327  37.642 1.00 38.62 ? 1132 HOH   A O   1 
HETATM 1345 O O   . HOH   F 5 .   ? 41.188 8.417   17.275 1.00 55.52 ? 1133 HOH   A O   1 
HETATM 1346 O O   . HOH   F 5 .   ? 20.118 10.771  26.175 1.00 42.19 ? 1134 HOH   A O   1 
HETATM 1347 O O   . HOH   F 5 .   ? 19.483 11.222  31.465 1.00 37.17 ? 1135 HOH   A O   1 
HETATM 1348 O O   . HOH   F 5 .   ? 36.625 -5.827  46.736 1.00 49.88 ? 1136 HOH   A O   1 
HETATM 1349 O O   . HOH   F 5 .   ? 43.960 6.764   16.540 1.00 47.63 ? 1137 HOH   A O   1 
HETATM 1350 O O   . HOH   F 5 .   ? 36.346 -2.381  28.799 1.00 37.15 ? 1138 HOH   A O   1 
HETATM 1351 O O   . HOH   F 5 .   ? 39.163 -11.330 38.816 1.00 43.87 ? 1139 HOH   A O   1 
HETATM 1352 O O   . HOH   F 5 .   ? 36.959 -4.130  26.825 1.00 37.33 ? 1140 HOH   A O   1 
HETATM 1353 O O   . HOH   F 5 .   ? 38.439 30.225  27.975 1.00 53.05 ? 1141 HOH   A O   1 
HETATM 1354 O O   . HOH   F 5 .   ? 37.777 25.553  36.010 1.00 43.61 ? 1142 HOH   A O   1 
HETATM 1355 O O   . HOH   F 5 .   ? 32.094 25.338  23.745 1.00 49.88 ? 1143 HOH   A O   1 
HETATM 1356 O O   . HOH   F 5 .   ? 17.688 14.383  23.514 1.00 46.51 ? 1144 HOH   A O   1 
HETATM 1357 O O   . HOH   F 5 .   ? 25.632 14.432  40.532 1.00 40.45 ? 1145 HOH   A O   1 
HETATM 1358 O O   . HOH   F 5 .   ? 19.783 10.016  22.879 1.00 52.20 ? 1146 HOH   A O   1 
HETATM 1359 O O   . HOH   F 5 .   ? 36.516 24.301  24.810 1.00 38.59 ? 1147 HOH   A O   1 
HETATM 1360 O O   . HOH   F 5 .   ? 36.287 26.331  22.478 1.00 43.80 ? 1148 HOH   A O   1 
# 
