data_9GW0
# 
_entry.id   9GW0 
# 
_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   9GW0         pdb_00009gw0 10.2210/pdb9gw0/pdb 
WWPDB D_1292139396 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-03-26 ? 
2 'Structure model' 1 1 2025-04-02 ? 
# 
_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_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    2 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            citation 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.pdbx_database_id_PubMed' 
2 2 'Structure model' '_citation.title'                   
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9GW0 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-26 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              pozzi4@unisi.it 
_pdbx_contact_author.name_first         Cecilia 
_pdbx_contact_author.name_last          Pozzi 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-2574-3911 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Tassone, G.' 1 0000-0002-2575-5528 
'Pozzi, C.'   2 0000-0003-2574-3911 
# 
_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                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Acs Med.Chem.Lett.' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1948-5875 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            16 
_citation.language                  ? 
_citation.page_first                397 
_citation.page_last                 405 
_citation.title                     
'Morita-Baylis-Hillman Adduct Chemistry as a Tool for the Design of Lysine-Targeted Covalent Ligands.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acsmedchemlett.4c00479 
_citation.pdbx_database_id_PubMed   40104796 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Paolino, M.'   1  ? 
primary 'Tassone, G.'   2  ? 
primary 'Governa, P.'   3  ? 
primary 'Saletti, M.'   4  ? 
primary 'Lami, M.'      5  ? 
primary 'Carletti, R.'  6  ? 
primary 'Sacchetta, F.' 7  ? 
primary 'Pozzi, C.'     8  ? 
primary 'Orlandini, M.' 9  ? 
primary 'Manetti, F.'   10 ? 
primary 'Olivucci, M.'  11 ? 
primary 'Cappelli, A.'  12 ? 
# 
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 'Cellular retinoic acid-binding protein 2'                   15992.265 1  ? 
'R111K, Y134F, T54V, R132Q, P39Y, R59Y' ? ? 
2 non-polymer syn 'methyl (~{Z})-3-(4-acetamidophenyl)-2-methyl-prop-2-enoate' 233.263   1  ? ? ? ? 
3 water       nat water                                                        18.015    15 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Cellular retinoic acid-binding protein II,CRABP-II' 
# 
_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       
;GSHMPNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKYAVEIKQEGDTFYIKVSTTVYTTEINFKVGEEFEEQTV
DGRPCKSLVKWESENKMVCEQKLLKGEGPKTSWTKELTNDGELILTMTADDVVCTQVFVRE
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GSHMPNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKYAVEIKQEGDTFYIKVSTTVYTTEINFKVGEEFEEQTV
DGRPCKSLVKWESENKMVCEQKLLKGEGPKTSWTKELTNDGELILTMTADDVVCTQVFVRE
;
_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 'methyl (~{Z})-3-(4-acetamidophenyl)-2-methyl-prop-2-enoate' A1IQ1 
3 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   MET n 
1 5   PRO n 
1 6   ASN n 
1 7   PHE n 
1 8   SER n 
1 9   GLY n 
1 10  ASN n 
1 11  TRP n 
1 12  LYS n 
1 13  ILE n 
1 14  ILE n 
1 15  ARG n 
1 16  SER n 
1 17  GLU n 
1 18  ASN n 
1 19  PHE n 
1 20  GLU n 
1 21  GLU n 
1 22  LEU n 
1 23  LEU n 
1 24  LYS n 
1 25  VAL n 
1 26  LEU n 
1 27  GLY n 
1 28  VAL n 
1 29  ASN n 
1 30  VAL n 
1 31  MET n 
1 32  LEU n 
1 33  ARG n 
1 34  LYS n 
1 35  ILE n 
1 36  ALA n 
1 37  VAL n 
1 38  ALA n 
1 39  ALA n 
1 40  ALA n 
1 41  SER n 
1 42  LYS n 
1 43  TYR n 
1 44  ALA n 
1 45  VAL n 
1 46  GLU n 
1 47  ILE n 
1 48  LYS n 
1 49  GLN n 
1 50  GLU n 
1 51  GLY n 
1 52  ASP n 
1 53  THR n 
1 54  PHE n 
1 55  TYR n 
1 56  ILE n 
1 57  LYS n 
1 58  VAL n 
1 59  SER n 
1 60  THR n 
1 61  THR n 
1 62  VAL n 
1 63  TYR n 
1 64  THR n 
1 65  THR n 
1 66  GLU n 
1 67  ILE n 
1 68  ASN n 
1 69  PHE n 
1 70  LYS n 
1 71  VAL n 
1 72  GLY n 
1 73  GLU n 
1 74  GLU n 
1 75  PHE n 
1 76  GLU n 
1 77  GLU n 
1 78  GLN n 
1 79  THR n 
1 80  VAL n 
1 81  ASP n 
1 82  GLY n 
1 83  ARG n 
1 84  PRO n 
1 85  CYS n 
1 86  LYS n 
1 87  SER n 
1 88  LEU n 
1 89  VAL n 
1 90  LYS n 
1 91  TRP n 
1 92  GLU n 
1 93  SER n 
1 94  GLU n 
1 95  ASN n 
1 96  LYS n 
1 97  MET n 
1 98  VAL n 
1 99  CYS n 
1 100 GLU n 
1 101 GLN n 
1 102 LYS n 
1 103 LEU n 
1 104 LEU n 
1 105 LYS n 
1 106 GLY n 
1 107 GLU n 
1 108 GLY n 
1 109 PRO n 
1 110 LYS n 
1 111 THR n 
1 112 SER n 
1 113 TRP n 
1 114 THR n 
1 115 LYS n 
1 116 GLU n 
1 117 LEU n 
1 118 THR n 
1 119 ASN n 
1 120 ASP n 
1 121 GLY n 
1 122 GLU n 
1 123 LEU n 
1 124 ILE n 
1 125 LEU n 
1 126 THR n 
1 127 MET n 
1 128 THR n 
1 129 ALA n 
1 130 ASP n 
1 131 ASP n 
1 132 VAL n 
1 133 VAL n 
1 134 CYS n 
1 135 THR n 
1 136 GLN n 
1 137 VAL n 
1 138 PHE n 
1 139 VAL n 
1 140 ARG n 
1 141 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                   141 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 CRABP2 
_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 BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_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          PLASMID 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       pET15b 
_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 
A1IQ1 non-polymer         . 'methyl (~{Z})-3-(4-acetamidophenyl)-2-methyl-prop-2-enoate' ? 'C13 H15 N O3'   233.263 
ALA   'L-peptide linking' y ALANINE                                                      ? 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE                                                     ? 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE                                                   ? 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID'                                              ? 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE                                                     ? 'C3 H7 N O2 S'   121.158 
GLN   'L-peptide linking' y GLUTAMINE                                                    ? 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                                              ? 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE                                                      ? 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE                                                    ? 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER                                                        ? 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE                                                   ? 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE                                                      ? 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE                                                       ? 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE                                                   ? 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE                                                ? 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE                                                      ? 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE                                                       ? 'C3 H7 N O3'     105.093 
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   MET 4   0   0   MET MET A . n 
A 1 5   PRO 5   1   1   PRO PRO A . n 
A 1 6   ASN 6   2   2   ASN ASN A . n 
A 1 7   PHE 7   3   3   PHE PHE A . n 
A 1 8   SER 8   4   4   SER SER A . n 
A 1 9   GLY 9   5   5   GLY GLY A . n 
A 1 10  ASN 10  6   6   ASN ASN A . n 
A 1 11  TRP 11  7   7   TRP TRP A . n 
A 1 12  LYS 12  8   8   LYS LYS A . n 
A 1 13  ILE 13  9   9   ILE ILE A . n 
A 1 14  ILE 14  10  10  ILE ILE A . n 
A 1 15  ARG 15  11  11  ARG ARG A . n 
A 1 16  SER 16  12  12  SER SER A . n 
A 1 17  GLU 17  13  13  GLU GLU A . n 
A 1 18  ASN 18  14  14  ASN ASN A . n 
A 1 19  PHE 19  15  15  PHE PHE A . n 
A 1 20  GLU 20  16  16  GLU GLU A . n 
A 1 21  GLU 21  17  17  GLU GLU A . n 
A 1 22  LEU 22  18  18  LEU LEU A . n 
A 1 23  LEU 23  19  19  LEU LEU A . n 
A 1 24  LYS 24  20  20  LYS LYS A . n 
A 1 25  VAL 25  21  21  VAL VAL A . n 
A 1 26  LEU 26  22  22  LEU LEU A . n 
A 1 27  GLY 27  23  23  GLY GLY A . n 
A 1 28  VAL 28  24  24  VAL VAL A . n 
A 1 29  ASN 29  25  25  ASN ASN A . n 
A 1 30  VAL 30  26  26  VAL VAL A . n 
A 1 31  MET 31  27  27  MET MET A . n 
A 1 32  LEU 32  28  28  LEU LEU A . n 
A 1 33  ARG 33  29  29  ARG ARG A . n 
A 1 34  LYS 34  30  30  LYS LYS A . n 
A 1 35  ILE 35  31  31  ILE ILE A . n 
A 1 36  ALA 36  32  32  ALA ALA A . n 
A 1 37  VAL 37  33  33  VAL VAL A . n 
A 1 38  ALA 38  34  34  ALA ALA A . n 
A 1 39  ALA 39  35  35  ALA ALA A . n 
A 1 40  ALA 40  36  36  ALA ALA A . n 
A 1 41  SER 41  37  37  SER SER A . n 
A 1 42  LYS 42  38  38  LYS LYS A . n 
A 1 43  TYR 43  39  39  TYR TYR A . n 
A 1 44  ALA 44  40  40  ALA ALA A . n 
A 1 45  VAL 45  41  41  VAL VAL A . n 
A 1 46  GLU 46  42  42  GLU GLU A . n 
A 1 47  ILE 47  43  43  ILE ILE A . n 
A 1 48  LYS 48  44  44  LYS LYS A . n 
A 1 49  GLN 49  45  45  GLN GLN A . n 
A 1 50  GLU 50  46  46  GLU GLU A . n 
A 1 51  GLY 51  47  47  GLY GLY A . n 
A 1 52  ASP 52  48  48  ASP ASP A . n 
A 1 53  THR 53  49  49  THR THR A . n 
A 1 54  PHE 54  50  50  PHE PHE A . n 
A 1 55  TYR 55  51  51  TYR TYR A . n 
A 1 56  ILE 56  52  52  ILE ILE A . n 
A 1 57  LYS 57  53  53  LYS LYS A . n 
A 1 58  VAL 58  54  54  VAL VAL A . n 
A 1 59  SER 59  55  55  SER SER A . n 
A 1 60  THR 60  56  56  THR THR A . n 
A 1 61  THR 61  57  57  THR THR A . n 
A 1 62  VAL 62  58  58  VAL VAL A . n 
A 1 63  TYR 63  59  59  TYR TYR A . n 
A 1 64  THR 64  60  60  THR THR A . n 
A 1 65  THR 65  61  61  THR THR A . n 
A 1 66  GLU 66  62  62  GLU GLU A . n 
A 1 67  ILE 67  63  63  ILE ILE A . n 
A 1 68  ASN 68  64  64  ASN ASN A . n 
A 1 69  PHE 69  65  65  PHE PHE A . n 
A 1 70  LYS 70  66  66  LYS LYS A . n 
A 1 71  VAL 71  67  67  VAL VAL A . n 
A 1 72  GLY 72  68  68  GLY GLY A . n 
A 1 73  GLU 73  69  69  GLU GLU A . n 
A 1 74  GLU 74  70  70  GLU GLU A . n 
A 1 75  PHE 75  71  71  PHE PHE A . n 
A 1 76  GLU 76  72  72  GLU GLU A . n 
A 1 77  GLU 77  73  73  GLU GLU A . n 
A 1 78  GLN 78  74  74  GLN GLN A . n 
A 1 79  THR 79  75  75  THR THR A . n 
A 1 80  VAL 80  76  76  VAL VAL A . n 
A 1 81  ASP 81  77  77  ASP ASP A . n 
A 1 82  GLY 82  78  78  GLY GLY A . n 
A 1 83  ARG 83  79  79  ARG ARG A . n 
A 1 84  PRO 84  80  80  PRO PRO A . n 
A 1 85  CYS 85  81  81  CYS CYS A . n 
A 1 86  LYS 86  82  82  LYS LYS A . n 
A 1 87  SER 87  83  83  SER SER A . n 
A 1 88  LEU 88  84  84  LEU LEU A . n 
A 1 89  VAL 89  85  85  VAL VAL A . n 
A 1 90  LYS 90  86  86  LYS LYS A . n 
A 1 91  TRP 91  87  87  TRP TRP A . n 
A 1 92  GLU 92  88  88  GLU GLU A . n 
A 1 93  SER 93  89  89  SER SER A . n 
A 1 94  GLU 94  90  90  GLU GLU A . n 
A 1 95  ASN 95  91  91  ASN ASN A . n 
A 1 96  LYS 96  92  92  LYS LYS A . n 
A 1 97  MET 97  93  93  MET MET A . n 
A 1 98  VAL 98  94  94  VAL VAL A . n 
A 1 99  CYS 99  95  95  CYS CYS A . n 
A 1 100 GLU 100 96  96  GLU GLU A . n 
A 1 101 GLN 101 97  97  GLN GLN A . n 
A 1 102 LYS 102 98  98  LYS LYS A . n 
A 1 103 LEU 103 99  99  LEU LEU A . n 
A 1 104 LEU 104 100 100 LEU LEU A . n 
A 1 105 LYS 105 101 101 LYS LYS A . n 
A 1 106 GLY 106 102 102 GLY GLY A . n 
A 1 107 GLU 107 103 103 GLU GLU A . n 
A 1 108 GLY 108 104 104 GLY GLY A . n 
A 1 109 PRO 109 105 105 PRO PRO A . n 
A 1 110 LYS 110 106 106 LYS LYS A . n 
A 1 111 THR 111 107 107 THR THR A . n 
A 1 112 SER 112 108 108 SER SER A . n 
A 1 113 TRP 113 109 109 TRP TRP A . n 
A 1 114 THR 114 110 110 THR THR A . n 
A 1 115 LYS 115 111 111 LYS LYS A . n 
A 1 116 GLU 116 112 112 GLU GLU A . n 
A 1 117 LEU 117 113 113 LEU LEU A . n 
A 1 118 THR 118 114 114 THR THR A . n 
A 1 119 ASN 119 115 115 ASN ASN A . n 
A 1 120 ASP 120 116 116 ASP ASP A . n 
A 1 121 GLY 121 117 117 GLY GLY A . n 
A 1 122 GLU 122 118 118 GLU GLU A . n 
A 1 123 LEU 123 119 119 LEU LEU A . n 
A 1 124 ILE 124 120 120 ILE ILE A . n 
A 1 125 LEU 125 121 121 LEU LEU A . n 
A 1 126 THR 126 122 122 THR THR A . n 
A 1 127 MET 127 123 123 MET MET A . n 
A 1 128 THR 128 124 124 THR THR A . n 
A 1 129 ALA 129 125 125 ALA ALA A . n 
A 1 130 ASP 130 126 126 ASP ASP A . n 
A 1 131 ASP 131 127 127 ASP ASP A . n 
A 1 132 VAL 132 128 128 VAL VAL A . n 
A 1 133 VAL 133 129 129 VAL VAL A . n 
A 1 134 CYS 134 130 130 CYS CYS A . n 
A 1 135 THR 135 131 131 THR THR A . n 
A 1 136 GLN 136 132 132 GLN GLN A . n 
A 1 137 VAL 137 133 133 VAL VAL A . n 
A 1 138 PHE 138 134 134 PHE PHE A . n 
A 1 139 VAL 139 135 135 VAL VAL A . n 
A 1 140 ARG 140 136 136 ARG ARG A . n 
A 1 141 GLU 141 137 137 GLU GLU A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IQ1 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IQ1 
_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 A1IQ1 1  201 201 A1IQ1 00Y A . 
C 3 HOH   1  301 2   HOH   HOH A . 
C 3 HOH   2  302 14  HOH   HOH A . 
C 3 HOH   3  303 3   HOH   HOH A . 
C 3 HOH   4  304 9   HOH   HOH A . 
C 3 HOH   5  305 10  HOH   HOH A . 
C 3 HOH   6  306 1   HOH   HOH A . 
C 3 HOH   7  307 6   HOH   HOH A . 
C 3 HOH   8  308 4   HOH   HOH A . 
C 3 HOH   9  309 5   HOH   HOH A . 
C 3 HOH   10 310 8   HOH   HOH A . 
C 3 HOH   11 311 15  HOH   HOH A . 
C 3 HOH   12 312 12  HOH   HOH A . 
C 3 HOH   13 313 13  HOH   HOH A . 
C 3 HOH   14 314 11  HOH   HOH A . 
C 3 HOH   15 315 7   HOH   HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A LYS   8   ? CG  ? A LYS   12  CG  
2  1 Y 1 A LYS   8   ? CD  ? A LYS   12  CD  
3  1 Y 1 A LYS   8   ? CE  ? A LYS   12  CE  
4  1 Y 1 A LYS   8   ? NZ  ? A LYS   12  NZ  
5  1 Y 1 A GLU   13  ? CD  ? A GLU   17  CD  
6  1 Y 1 A GLU   13  ? OE1 ? A GLU   17  OE1 
7  1 Y 1 A GLU   13  ? OE2 ? A GLU   17  OE2 
8  1 Y 1 A LYS   38  ? CD  ? A LYS   42  CD  
9  1 Y 1 A LYS   38  ? CE  ? A LYS   42  CE  
10 1 Y 1 A LYS   38  ? NZ  ? A LYS   42  NZ  
11 1 Y 1 A LYS   44  ? CG  ? A LYS   48  CG  
12 1 Y 1 A LYS   44  ? CD  ? A LYS   48  CD  
13 1 Y 1 A LYS   44  ? CE  ? A LYS   48  CE  
14 1 Y 1 A LYS   44  ? NZ  ? A LYS   48  NZ  
15 1 Y 1 A GLU   46  ? CG  ? A GLU   50  CG  
16 1 Y 1 A GLU   46  ? CD  ? A GLU   50  CD  
17 1 Y 1 A GLU   46  ? OE1 ? A GLU   50  OE1 
18 1 Y 1 A GLU   46  ? OE2 ? A GLU   50  OE2 
19 1 Y 1 A LYS   53  ? CE  ? A LYS   57  CE  
20 1 Y 1 A LYS   53  ? NZ  ? A LYS   57  NZ  
21 1 Y 1 A GLU   72  ? CG  ? A GLU   76  CG  
22 1 Y 1 A GLU   72  ? CD  ? A GLU   76  CD  
23 1 Y 1 A GLU   72  ? OE1 ? A GLU   76  OE1 
24 1 Y 1 A GLU   72  ? OE2 ? A GLU   76  OE2 
25 1 Y 1 A GLN   74  ? CD  ? A GLN   78  CD  
26 1 Y 1 A GLN   74  ? OE1 ? A GLN   78  OE1 
27 1 Y 1 A GLN   74  ? NE2 ? A GLN   78  NE2 
28 1 Y 1 A LYS   82  ? CG  ? A LYS   86  CG  
29 1 Y 1 A LYS   82  ? CD  ? A LYS   86  CD  
30 1 Y 1 A LYS   82  ? CE  ? A LYS   86  CE  
31 1 Y 1 A LYS   82  ? NZ  ? A LYS   86  NZ  
32 1 Y 1 A GLU   96  ? CG  ? A GLU   100 CG  
33 1 Y 1 A GLU   96  ? CD  ? A GLU   100 CD  
34 1 Y 1 A GLU   96  ? OE1 ? A GLU   100 OE1 
35 1 Y 1 A GLU   96  ? OE2 ? A GLU   100 OE2 
36 1 Y 1 A LYS   98  ? CG  ? A LYS   102 CG  
37 1 Y 1 A LYS   98  ? CD  ? A LYS   102 CD  
38 1 Y 1 A LYS   98  ? CE  ? A LYS   102 CE  
39 1 Y 1 A LYS   98  ? NZ  ? A LYS   102 NZ  
40 1 Y 1 A LYS   101 ? CG  ? A LYS   105 CG  
41 1 Y 1 A LYS   101 ? CD  ? A LYS   105 CD  
42 1 Y 1 A LYS   101 ? CE  ? A LYS   105 CE  
43 1 Y 1 A LYS   101 ? NZ  ? A LYS   105 NZ  
44 1 Y 1 A GLU   103 ? CG  ? A GLU   107 CG  
45 1 Y 1 A GLU   103 ? CD  ? A GLU   107 CD  
46 1 Y 1 A GLU   103 ? OE1 ? A GLU   107 OE1 
47 1 Y 1 A GLU   103 ? OE2 ? A GLU   107 OE2 
48 1 Y 1 A LYS   106 ? CD  ? A LYS   110 CD  
49 1 Y 1 A LYS   106 ? CE  ? A LYS   110 CE  
50 1 Y 1 A LYS   106 ? NZ  ? A LYS   110 NZ  
51 1 Y 1 A ASP   127 ? CG  ? A ASP   131 CG  
52 1 Y 1 A ASP   127 ? OD1 ? A ASP   131 OD1 
53 1 Y 1 A ASP   127 ? OD2 ? A ASP   131 OD2 
54 1 Y 1 A GLU   137 ? CG  ? A GLU   141 CG  
55 1 Y 1 A GLU   137 ? CD  ? A GLU   141 CD  
56 1 Y 1 A GLU   137 ? OE1 ? A GLU   141 OE1 
57 1 Y 1 A GLU   137 ? OE2 ? A GLU   141 OE2 
58 1 N 1 A A1IQ1 201 ? C1  ? B A1IQ1 1   C1  
59 1 N 1 A A1IQ1 201 ? O1  ? B A1IQ1 1   O1  
60 1 N 1 A A1IQ1 201 ? C3  ? B A1IQ1 1   C3  
# 
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       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? SCALA  ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? .        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                     9GW0 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     57.836 
_cell.length_a_esd                 ? 
_cell.length_b                     57.836 
_cell.length_b_esd                 ? 
_cell.length_c                     101.900 
_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                         9GW0 
_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                   9GW0 
_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             3.17 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          61.21 
_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              7.0 
_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    '0.2 M sodium malonate pH 7 and 20% w/v polyethylene glycol 3.350' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            281 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER2 XE 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-11-29 
_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                    '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   0.953738 
_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                        'DIAMOND BEAMLINE I04' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.953738 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I04 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          58.9 
_reflns.entry_id                                       9GW0 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.40 
_reflns.d_resolution_low                               50.09 
_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                                     8156 
_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                                10.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          14.8 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_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                                0.083 
_reflns.pdbx_Rpim_I_all                                0.025 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.998 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.078 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.40 
_reflns_shell.d_res_low                                     2.53 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.5 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1158 
_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                               11.2 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               1.160 
_reflns_shell.pdbx_Rpim_I_all                               0.342 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.915 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100.0 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.107 
_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]                            0.04 
_refine.aniso_B[1][2]                            0.02 
_refine.aniso_B[1][3]                            -0.00 
_refine.aniso_B[2][2]                            0.04 
_refine.aniso_B[2][3]                            -0.00 
_refine.aniso_B[3][3]                            -0.15 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               67.938 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.963 
_refine.correlation_coeff_Fo_to_Fc_free          0.919 
_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                                 9GW0 
_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                            2.40 
_refine.ls_d_res_low                             44.99 
_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                     7684 
_refine.ls_number_reflns_R_free                  452 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.93 
_refine.ls_percent_reflns_R_free                 5.6 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.20595 
_refine.ls_R_factor_R_free                       0.28117 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.20123 
_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                    MASK 
_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                          ? 
_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       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.277 
_refine.pdbx_overall_ESU_R_Free                  0.257 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_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                 ? 
_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                             11.082 
_refine.overall_SU_ML                            0.235 
_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_analyze.entry_id                        9GW0 
_refine_analyze.pdbx_refine_id                  'X-RAY DIFFRACTION' 
_refine_analyze.Luzzati_coordinate_error_free   ? 
_refine_analyze.Luzzati_coordinate_error_obs    0.3821 
_refine_analyze.Luzzati_d_res_low_free          ? 
_refine_analyze.Luzzati_d_res_low_obs           ? 
_refine_analyze.Luzzati_sigma_a_free            ? 
_refine_analyze.Luzzati_sigma_a_free_details    ? 
_refine_analyze.Luzzati_sigma_a_obs             ? 
_refine_analyze.Luzzati_sigma_a_obs_details     ? 
_refine_analyze.number_disordered_residues      ? 
_refine_analyze.occupancy_sum_hydrogen          ? 
_refine_analyze.occupancy_sum_non_hydrogen      ? 
_refine_analyze.RG_d_res_high                   ? 
_refine_analyze.RG_d_res_low                    ? 
_refine_analyze.RG_free                         ? 
_refine_analyze.RG_work                         ? 
_refine_analyze.RG_free_work_ratio              ? 
_refine_analyze.pdbx_Luzzati_d_res_high_obs     ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.40 
_refine_hist.d_res_low                        44.99 
_refine_hist.number_atoms_solvent             15 
_refine_hist.number_atoms_total               1072 
_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        1043 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         14 
_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  0.012  1075 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.715  1.653  1460 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 8.064  5.000  137  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 33.402 23.778 45   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 17.768 15.000 176  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 19.224 15.000 4    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.127  0.200  149  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.007  0.020  799  ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 5.845  6.934  551  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 7.994  10.396 687  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 7.995  7.293  524  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 11.611 92.430 1543 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       2.401 
_refine_ls_shell.d_res_low                        2.463 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             29 
_refine_ls_shell.number_reflns_R_work             546 
_refine_ls_shell.percent_reflns_obs               99.65 
_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                  0.390 
_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   20 
_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                  0.441 
# 
_struct.entry_id                     9GW0 
_struct.title                        
'M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 1l conjugate' 
_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        9GW0 
_struct_keywords.text            
'human cellular retinoic acid binding protein II, hCRABPII, conjugate, chromophore, M2, TRANSPORT PROTEIN' 
_struct_keywords.pdbx_keywords   'TRANSPORT PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RABP2_HUMAN 
_struct_ref.pdbx_db_accession          P29373 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MPNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGR
PCKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE
;
_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              9GW0 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 4 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 141 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P29373 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  138 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       0 
_struct_ref_seq.pdbx_auth_seq_align_end       137 
# 
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 9GW0 GLY A 1   ? UNP P29373 ?   ?   'expression tag'      -3  1 
1 9GW0 SER A 2   ? UNP P29373 ?   ?   'expression tag'      -2  2 
1 9GW0 HIS A 3   ? UNP P29373 ?   ?   'expression tag'      -1  3 
1 9GW0 TYR A 43  ? UNP P29373 PRO 40  'engineered mutation' 39  4 
1 9GW0 VAL A 58  ? UNP P29373 THR 55  'engineered mutation' 54  5 
1 9GW0 TYR A 63  ? UNP P29373 ARG 60  'engineered mutation' 59  6 
1 9GW0 LYS A 115 ? UNP P29373 ARG 112 'engineered mutation' 111 7 
1 9GW0 GLN A 136 ? UNP P29373 ARG 133 'engineered mutation' 132 8 
1 9GW0 PHE A 138 ? UNP P29373 TYR 135 'engineered mutation' 134 9 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 0    ? 
1 MORE         0    ? 
1 'SSA (A^2)'  7530 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_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 ASN A 18 ? LEU A 26 ? ASN A 14 LEU A 22 1 ? 9  
HELX_P HELX_P2 AA2 ASN A 29 ? ALA A 40 ? ASN A 25 ALA A 36 1 ? 12 
# 
_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        none 
_struct_conn.pdbx_PDB_id                   ? 
_struct_conn.ptnr1_label_asym_id           A 
_struct_conn.ptnr1_label_comp_id           LYS 
_struct_conn.ptnr1_label_seq_id            115 
_struct_conn.ptnr1_label_atom_id           NZ 
_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           A1IQ1 
_struct_conn.ptnr2_label_seq_id            . 
_struct_conn.ptnr2_label_atom_id           CAN 
_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            LYS 
_struct_conn.ptnr1_auth_seq_id             111 
_struct_conn.ptnr2_auth_asym_id            A 
_struct_conn.ptnr2_auth_comp_id            A1IQ1 
_struct_conn.ptnr2_auth_seq_id             201 
_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               1.423 
_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                      A1IQ1 
_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     LYS 
_pdbx_modification_feature.modified_residue_label_asym_id     A 
_pdbx_modification_feature.modified_residue_label_seq_id      115 
_pdbx_modification_feature.modified_residue_label_alt_id      ? 
_pdbx_modification_feature.auth_comp_id                       A1IQ1 
_pdbx_modification_feature.auth_asym_id                       A 
_pdbx_modification_feature.auth_seq_id                        201 
_pdbx_modification_feature.PDB_ins_code                       ? 
_pdbx_modification_feature.symmetry                           1_555 
_pdbx_modification_feature.modified_residue_auth_comp_id      LYS 
_pdbx_modification_feature.modified_residue_auth_asym_id      A 
_pdbx_modification_feature.modified_residue_auth_seq_id       111 
_pdbx_modification_feature.modified_residue_PDB_ins_code      ? 
_pdbx_modification_feature.modified_residue_symmetry          1_555 
_pdbx_modification_feature.comp_id_linking_atom               CAN 
_pdbx_modification_feature.modified_residue_id_linking_atom   NZ 
_pdbx_modification_feature.modified_residue_id                LYS 
_pdbx_modification_feature.ref_pcm_id                         1 
_pdbx_modification_feature.ref_comp_id                        A1IQ1 
_pdbx_modification_feature.type                               None 
_pdbx_modification_feature.category                           'Covalent chemical modification' 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   10 
_struct_sheet.details          ? 
# 
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 
AA1 3 4  ? anti-parallel 
AA1 4 5  ? anti-parallel 
AA1 5 6  ? anti-parallel 
AA1 6 7  ? anti-parallel 
AA1 7 8  ? anti-parallel 
AA1 8 9  ? anti-parallel 
AA1 9 10 ? 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  THR A 64  ? LYS A 70  ? THR A 60  LYS A 66  
AA1 2  THR A 53  ? SER A 59  ? THR A 49  SER A 55  
AA1 3  ALA A 44  ? GLU A 50  ? ALA A 40  GLU A 46  
AA1 4  GLY A 9   ? GLU A 17  ? GLY A 5   GLU A 13  
AA1 5  VAL A 132 ? ARG A 140 ? VAL A 128 ARG A 136 
AA1 6  LEU A 123 ? ALA A 129 ? LEU A 119 ALA A 125 
AA1 7  THR A 111 ? LEU A 117 ? THR A 107 LEU A 113 
AA1 8  LYS A 96  ? LEU A 103 ? LYS A 92  LEU A 99  
AA1 9  PRO A 84  ? SER A 93  ? PRO A 80  SER A 89  
AA1 10 PHE A 75  ? GLN A 78  ? PHE A 71  GLN A 74  
# 
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  O PHE A 69  ? O PHE A 65  N PHE A 54  ? N PHE A 50  
AA1 2 3  O TYR A 55  ? O TYR A 51  N LYS A 48  ? N LYS A 44  
AA1 3 4  O VAL A 45  ? O VAL A 41  N TRP A 11  ? N TRP A 7   
AA1 4 5  N ILE A 14  ? N ILE A 10  O VAL A 137 ? O VAL A 133 
AA1 5 6  O GLN A 136 ? O GLN A 132 N LEU A 125 ? N LEU A 121 
AA1 6 7  O ILE A 124 ? O ILE A 120 N GLU A 116 ? N GLU A 112 
AA1 7 8  O TRP A 113 ? O TRP A 109 N CYS A 99  ? N CYS A 95  
AA1 8 9  O LYS A 102 ? O LYS A 98  N LYS A 86  ? N LYS A 82  
AA1 9 10 O SER A 87  ? O SER A 83  N PHE A 75  ? N PHE A 71  
# 
_pdbx_entry_details.entry_id                   9GW0 
_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_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 THR A 56  ? ? -114.61 -162.52 
2 1 SER A 89  ? ? -164.66 -159.36 
3 1 ASP A 126 ? ? 37.99   -112.83 
# 
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 
# 
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 
A1IQ1 NAG  N N N 1   
A1IQ1 CAB  C Y N 2   
A1IQ1 CAD  C Y N 3   
A1IQ1 CAC  C Y N 4   
A1IQ1 CAA  C Y N 5   
A1IQ1 CAF  C Y N 6   
A1IQ1 CAE  C Y N 7   
A1IQ1 CAL  C N N 8   
A1IQ1 CAM  C N N 9   
A1IQ1 CAN  C N N 10  
A1IQ1 CAO  C N N 11  
A1IQ1 OAP  O N N 12  
A1IQ1 OAQ  O N N 13  
A1IQ1 CAJ  C N N 14  
A1IQ1 H1   H N N 15  
A1IQ1 H3   H N N 16  
A1IQ1 H4   H N N 17  
A1IQ1 H5   H N N 18  
A1IQ1 H6   H N N 19  
A1IQ1 H7   H N N 20  
A1IQ1 H8   H N N 21  
A1IQ1 H9   H N N 22  
A1IQ1 H10  H N N 23  
A1IQ1 H11  H N N 24  
A1IQ1 H12  H N N 25  
A1IQ1 H13  H N N 26  
A1IQ1 C1   C N N 27  
A1IQ1 O1   O N N 28  
A1IQ1 C3   C N N 29  
A1IQ1 H2   H N N 30  
A1IQ1 H14  H N N 31  
A1IQ1 H15  H N N 32  
ALA   N    N N N 33  
ALA   CA   C N S 34  
ALA   C    C N N 35  
ALA   O    O N N 36  
ALA   CB   C N N 37  
ALA   OXT  O N N 38  
ALA   H    H N N 39  
ALA   H2   H N N 40  
ALA   HA   H N N 41  
ALA   HB1  H N N 42  
ALA   HB2  H N N 43  
ALA   HB3  H N N 44  
ALA   HXT  H N N 45  
ARG   N    N N N 46  
ARG   CA   C N S 47  
ARG   C    C N N 48  
ARG   O    O N N 49  
ARG   CB   C N N 50  
ARG   CG   C N N 51  
ARG   CD   C N N 52  
ARG   NE   N N N 53  
ARG   CZ   C N N 54  
ARG   NH1  N N N 55  
ARG   NH2  N N N 56  
ARG   OXT  O N N 57  
ARG   H    H N N 58  
ARG   H2   H N N 59  
ARG   HA   H N N 60  
ARG   HB2  H N N 61  
ARG   HB3  H N N 62  
ARG   HG2  H N N 63  
ARG   HG3  H N N 64  
ARG   HD2  H N N 65  
ARG   HD3  H N N 66  
ARG   HE   H N N 67  
ARG   HH11 H N N 68  
ARG   HH12 H N N 69  
ARG   HH21 H N N 70  
ARG   HH22 H N N 71  
ARG   HXT  H N N 72  
ASN   N    N N N 73  
ASN   CA   C N S 74  
ASN   C    C N N 75  
ASN   O    O N N 76  
ASN   CB   C N N 77  
ASN   CG   C N N 78  
ASN   OD1  O N N 79  
ASN   ND2  N N N 80  
ASN   OXT  O N N 81  
ASN   H    H N N 82  
ASN   H2   H N N 83  
ASN   HA   H N N 84  
ASN   HB2  H N N 85  
ASN   HB3  H N N 86  
ASN   HD21 H N N 87  
ASN   HD22 H N N 88  
ASN   HXT  H N N 89  
ASP   N    N N N 90  
ASP   CA   C N S 91  
ASP   C    C N N 92  
ASP   O    O N N 93  
ASP   CB   C N N 94  
ASP   CG   C N N 95  
ASP   OD1  O N N 96  
ASP   OD2  O N N 97  
ASP   OXT  O N N 98  
ASP   H    H N N 99  
ASP   H2   H N N 100 
ASP   HA   H N N 101 
ASP   HB2  H N N 102 
ASP   HB3  H N N 103 
ASP   HD2  H N N 104 
ASP   HXT  H N N 105 
CYS   N    N N N 106 
CYS   CA   C N R 107 
CYS   C    C N N 108 
CYS   O    O N N 109 
CYS   CB   C N N 110 
CYS   SG   S N N 111 
CYS   OXT  O N N 112 
CYS   H    H N N 113 
CYS   H2   H N N 114 
CYS   HA   H N N 115 
CYS   HB2  H N N 116 
CYS   HB3  H N N 117 
CYS   HG   H N N 118 
CYS   HXT  H N N 119 
GLN   N    N N N 120 
GLN   CA   C N S 121 
GLN   C    C N N 122 
GLN   O    O N N 123 
GLN   CB   C N N 124 
GLN   CG   C N N 125 
GLN   CD   C N N 126 
GLN   OE1  O N N 127 
GLN   NE2  N N N 128 
GLN   OXT  O N N 129 
GLN   H    H N N 130 
GLN   H2   H N N 131 
GLN   HA   H N N 132 
GLN   HB2  H N N 133 
GLN   HB3  H N N 134 
GLN   HG2  H N N 135 
GLN   HG3  H N N 136 
GLN   HE21 H N N 137 
GLN   HE22 H N N 138 
GLN   HXT  H N N 139 
GLU   N    N N N 140 
GLU   CA   C N S 141 
GLU   C    C N N 142 
GLU   O    O N N 143 
GLU   CB   C N N 144 
GLU   CG   C N N 145 
GLU   CD   C N N 146 
GLU   OE1  O N N 147 
GLU   OE2  O N N 148 
GLU   OXT  O N N 149 
GLU   H    H N N 150 
GLU   H2   H N N 151 
GLU   HA   H N N 152 
GLU   HB2  H N N 153 
GLU   HB3  H N N 154 
GLU   HG2  H N N 155 
GLU   HG3  H N N 156 
GLU   HE2  H N N 157 
GLU   HXT  H N N 158 
GLY   N    N N N 159 
GLY   CA   C N N 160 
GLY   C    C N N 161 
GLY   O    O N N 162 
GLY   OXT  O N N 163 
GLY   H    H N N 164 
GLY   H2   H N N 165 
GLY   HA2  H N N 166 
GLY   HA3  H N N 167 
GLY   HXT  H N N 168 
HIS   N    N N N 169 
HIS   CA   C N S 170 
HIS   C    C N N 171 
HIS   O    O N N 172 
HIS   CB   C N N 173 
HIS   CG   C Y N 174 
HIS   ND1  N Y N 175 
HIS   CD2  C Y N 176 
HIS   CE1  C Y N 177 
HIS   NE2  N Y N 178 
HIS   OXT  O N N 179 
HIS   H    H N N 180 
HIS   H2   H N N 181 
HIS   HA   H N N 182 
HIS   HB2  H N N 183 
HIS   HB3  H N N 184 
HIS   HD1  H N N 185 
HIS   HD2  H N N 186 
HIS   HE1  H N N 187 
HIS   HE2  H N N 188 
HIS   HXT  H N N 189 
HOH   O    O N N 190 
HOH   H1   H N N 191 
HOH   H2   H N N 192 
ILE   N    N N N 193 
ILE   CA   C N S 194 
ILE   C    C N N 195 
ILE   O    O N N 196 
ILE   CB   C N S 197 
ILE   CG1  C N N 198 
ILE   CG2  C N N 199 
ILE   CD1  C N N 200 
ILE   OXT  O N N 201 
ILE   H    H N N 202 
ILE   H2   H N N 203 
ILE   HA   H N N 204 
ILE   HB   H N N 205 
ILE   HG12 H N N 206 
ILE   HG13 H N N 207 
ILE   HG21 H N N 208 
ILE   HG22 H N N 209 
ILE   HG23 H N N 210 
ILE   HD11 H N N 211 
ILE   HD12 H N N 212 
ILE   HD13 H N N 213 
ILE   HXT  H N N 214 
LEU   N    N N N 215 
LEU   CA   C N S 216 
LEU   C    C N N 217 
LEU   O    O N N 218 
LEU   CB   C N N 219 
LEU   CG   C N N 220 
LEU   CD1  C N N 221 
LEU   CD2  C N N 222 
LEU   OXT  O N N 223 
LEU   H    H N N 224 
LEU   H2   H N N 225 
LEU   HA   H N N 226 
LEU   HB2  H N N 227 
LEU   HB3  H N N 228 
LEU   HG   H N N 229 
LEU   HD11 H N N 230 
LEU   HD12 H N N 231 
LEU   HD13 H N N 232 
LEU   HD21 H N N 233 
LEU   HD22 H N N 234 
LEU   HD23 H N N 235 
LEU   HXT  H N N 236 
LYS   N    N N N 237 
LYS   CA   C N S 238 
LYS   C    C N N 239 
LYS   O    O N N 240 
LYS   CB   C N N 241 
LYS   CG   C N N 242 
LYS   CD   C N N 243 
LYS   CE   C N N 244 
LYS   NZ   N N N 245 
LYS   OXT  O N N 246 
LYS   H    H N N 247 
LYS   H2   H N N 248 
LYS   HA   H N N 249 
LYS   HB2  H N N 250 
LYS   HB3  H N N 251 
LYS   HG2  H N N 252 
LYS   HG3  H N N 253 
LYS   HD2  H N N 254 
LYS   HD3  H N N 255 
LYS   HE2  H N N 256 
LYS   HE3  H N N 257 
LYS   HZ1  H N N 258 
LYS   HZ2  H N N 259 
LYS   HZ3  H N N 260 
LYS   HXT  H N N 261 
MET   N    N N N 262 
MET   CA   C N S 263 
MET   C    C N N 264 
MET   O    O N N 265 
MET   CB   C N N 266 
MET   CG   C N N 267 
MET   SD   S N N 268 
MET   CE   C N N 269 
MET   OXT  O N N 270 
MET   H    H N N 271 
MET   H2   H N N 272 
MET   HA   H N N 273 
MET   HB2  H N N 274 
MET   HB3  H N N 275 
MET   HG2  H N N 276 
MET   HG3  H N N 277 
MET   HE1  H N N 278 
MET   HE2  H N N 279 
MET   HE3  H N N 280 
MET   HXT  H N N 281 
PHE   N    N N N 282 
PHE   CA   C N S 283 
PHE   C    C N N 284 
PHE   O    O N N 285 
PHE   CB   C N N 286 
PHE   CG   C Y N 287 
PHE   CD1  C Y N 288 
PHE   CD2  C Y N 289 
PHE   CE1  C Y N 290 
PHE   CE2  C Y N 291 
PHE   CZ   C Y N 292 
PHE   OXT  O N N 293 
PHE   H    H N N 294 
PHE   H2   H N N 295 
PHE   HA   H N N 296 
PHE   HB2  H N N 297 
PHE   HB3  H N N 298 
PHE   HD1  H N N 299 
PHE   HD2  H N N 300 
PHE   HE1  H N N 301 
PHE   HE2  H N N 302 
PHE   HZ   H N N 303 
PHE   HXT  H N N 304 
PRO   N    N N N 305 
PRO   CA   C N S 306 
PRO   C    C N N 307 
PRO   O    O N N 308 
PRO   CB   C N N 309 
PRO   CG   C N N 310 
PRO   CD   C N N 311 
PRO   OXT  O N N 312 
PRO   H    H N N 313 
PRO   HA   H N N 314 
PRO   HB2  H N N 315 
PRO   HB3  H N N 316 
PRO   HG2  H N N 317 
PRO   HG3  H N N 318 
PRO   HD2  H N N 319 
PRO   HD3  H N N 320 
PRO   HXT  H N N 321 
SER   N    N N N 322 
SER   CA   C N S 323 
SER   C    C N N 324 
SER   O    O N N 325 
SER   CB   C N N 326 
SER   OG   O N N 327 
SER   OXT  O N N 328 
SER   H    H N N 329 
SER   H2   H N N 330 
SER   HA   H N N 331 
SER   HB2  H N N 332 
SER   HB3  H N N 333 
SER   HG   H N N 334 
SER   HXT  H N N 335 
THR   N    N N N 336 
THR   CA   C N S 337 
THR   C    C N N 338 
THR   O    O N N 339 
THR   CB   C N R 340 
THR   OG1  O N N 341 
THR   CG2  C N N 342 
THR   OXT  O N N 343 
THR   H    H N N 344 
THR   H2   H N N 345 
THR   HA   H N N 346 
THR   HB   H N N 347 
THR   HG1  H N N 348 
THR   HG21 H N N 349 
THR   HG22 H N N 350 
THR   HG23 H N N 351 
THR   HXT  H N N 352 
TRP   N    N N N 353 
TRP   CA   C N S 354 
TRP   C    C N N 355 
TRP   O    O N N 356 
TRP   CB   C N N 357 
TRP   CG   C Y N 358 
TRP   CD1  C Y N 359 
TRP   CD2  C Y N 360 
TRP   NE1  N Y N 361 
TRP   CE2  C Y N 362 
TRP   CE3  C Y N 363 
TRP   CZ2  C Y N 364 
TRP   CZ3  C Y N 365 
TRP   CH2  C Y N 366 
TRP   OXT  O N N 367 
TRP   H    H N N 368 
TRP   H2   H N N 369 
TRP   HA   H N N 370 
TRP   HB2  H N N 371 
TRP   HB3  H N N 372 
TRP   HD1  H N N 373 
TRP   HE1  H N N 374 
TRP   HE3  H N N 375 
TRP   HZ2  H N N 376 
TRP   HZ3  H N N 377 
TRP   HH2  H N N 378 
TRP   HXT  H N N 379 
TYR   N    N N N 380 
TYR   CA   C N S 381 
TYR   C    C N N 382 
TYR   O    O N N 383 
TYR   CB   C N N 384 
TYR   CG   C Y N 385 
TYR   CD1  C Y N 386 
TYR   CD2  C Y N 387 
TYR   CE1  C Y N 388 
TYR   CE2  C Y N 389 
TYR   CZ   C Y N 390 
TYR   OH   O N N 391 
TYR   OXT  O N N 392 
TYR   H    H N N 393 
TYR   H2   H N N 394 
TYR   HA   H N N 395 
TYR   HB2  H N N 396 
TYR   HB3  H N N 397 
TYR   HD1  H N N 398 
TYR   HD2  H N N 399 
TYR   HE1  H N N 400 
TYR   HE2  H N N 401 
TYR   HH   H N N 402 
TYR   HXT  H N N 403 
VAL   N    N N N 404 
VAL   CA   C N S 405 
VAL   C    C N N 406 
VAL   O    O N N 407 
VAL   CB   C N N 408 
VAL   CG1  C N N 409 
VAL   CG2  C N N 410 
VAL   OXT  O N N 411 
VAL   H    H N N 412 
VAL   H2   H N N 413 
VAL   HA   H N N 414 
VAL   HB   H N N 415 
VAL   HG11 H N N 416 
VAL   HG12 H N N 417 
VAL   HG13 H N N 418 
VAL   HG21 H N N 419 
VAL   HG22 H N N 420 
VAL   HG23 H N N 421 
VAL   HXT  H N N 422 
# 
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 
A1IQ1 OAP CAO  doub N N 1   
A1IQ1 CAN CAM  sing N N 2   
A1IQ1 CAO CAM  sing N N 3   
A1IQ1 CAO OAQ  sing N N 4   
A1IQ1 CAM CAL  doub N Z 5   
A1IQ1 OAQ CAJ  sing N N 6   
A1IQ1 CAL CAE  sing N N 7   
A1IQ1 CAC CAE  doub Y N 8   
A1IQ1 CAC CAD  sing Y N 9   
A1IQ1 CAE CAF  sing Y N 10  
A1IQ1 CAD CAB  doub Y N 11  
A1IQ1 CAF CAA  doub Y N 12  
A1IQ1 CAB CAA  sing Y N 13  
A1IQ1 CAB NAG  sing N N 14  
A1IQ1 NAG H1   sing N N 15  
A1IQ1 CAD H3   sing N N 16  
A1IQ1 CAC H4   sing N N 17  
A1IQ1 CAA H5   sing N N 18  
A1IQ1 CAF H6   sing N N 19  
A1IQ1 CAL H7   sing N N 20  
A1IQ1 CAN H8   sing N N 21  
A1IQ1 CAN H9   sing N N 22  
A1IQ1 CAN H10  sing N N 23  
A1IQ1 CAJ H11  sing N N 24  
A1IQ1 CAJ H12  sing N N 25  
A1IQ1 CAJ H13  sing N N 26  
A1IQ1 NAG C1   sing N N 27  
A1IQ1 C1  O1   doub N N 28  
A1IQ1 C1  C3   sing N N 29  
A1IQ1 C3  H2   sing N N 30  
A1IQ1 C3  H14  sing N N 31  
A1IQ1 C3  H15  sing N N 32  
ALA   N   CA   sing N N 33  
ALA   N   H    sing N N 34  
ALA   N   H2   sing N N 35  
ALA   CA  C    sing N N 36  
ALA   CA  CB   sing N N 37  
ALA   CA  HA   sing N N 38  
ALA   C   O    doub N N 39  
ALA   C   OXT  sing N N 40  
ALA   CB  HB1  sing N N 41  
ALA   CB  HB2  sing N N 42  
ALA   CB  HB3  sing N N 43  
ALA   OXT HXT  sing N N 44  
ARG   N   CA   sing N N 45  
ARG   N   H    sing N N 46  
ARG   N   H2   sing N N 47  
ARG   CA  C    sing N N 48  
ARG   CA  CB   sing N N 49  
ARG   CA  HA   sing N N 50  
ARG   C   O    doub N N 51  
ARG   C   OXT  sing N N 52  
ARG   CB  CG   sing N N 53  
ARG   CB  HB2  sing N N 54  
ARG   CB  HB3  sing N N 55  
ARG   CG  CD   sing N N 56  
ARG   CG  HG2  sing N N 57  
ARG   CG  HG3  sing N N 58  
ARG   CD  NE   sing N N 59  
ARG   CD  HD2  sing N N 60  
ARG   CD  HD3  sing N N 61  
ARG   NE  CZ   sing N N 62  
ARG   NE  HE   sing N N 63  
ARG   CZ  NH1  sing N N 64  
ARG   CZ  NH2  doub N N 65  
ARG   NH1 HH11 sing N N 66  
ARG   NH1 HH12 sing N N 67  
ARG   NH2 HH21 sing N N 68  
ARG   NH2 HH22 sing N N 69  
ARG   OXT HXT  sing N N 70  
ASN   N   CA   sing N N 71  
ASN   N   H    sing N N 72  
ASN   N   H2   sing N N 73  
ASN   CA  C    sing N N 74  
ASN   CA  CB   sing N N 75  
ASN   CA  HA   sing N N 76  
ASN   C   O    doub N N 77  
ASN   C   OXT  sing N N 78  
ASN   CB  CG   sing N N 79  
ASN   CB  HB2  sing N N 80  
ASN   CB  HB3  sing N N 81  
ASN   CG  OD1  doub N N 82  
ASN   CG  ND2  sing N N 83  
ASN   ND2 HD21 sing N N 84  
ASN   ND2 HD22 sing N N 85  
ASN   OXT HXT  sing N N 86  
ASP   N   CA   sing N N 87  
ASP   N   H    sing N N 88  
ASP   N   H2   sing N N 89  
ASP   CA  C    sing N N 90  
ASP   CA  CB   sing N N 91  
ASP   CA  HA   sing N N 92  
ASP   C   O    doub N N 93  
ASP   C   OXT  sing N N 94  
ASP   CB  CG   sing N N 95  
ASP   CB  HB2  sing N N 96  
ASP   CB  HB3  sing N N 97  
ASP   CG  OD1  doub N N 98  
ASP   CG  OD2  sing N N 99  
ASP   OD2 HD2  sing N N 100 
ASP   OXT HXT  sing N N 101 
CYS   N   CA   sing N N 102 
CYS   N   H    sing N N 103 
CYS   N   H2   sing N N 104 
CYS   CA  C    sing N N 105 
CYS   CA  CB   sing N N 106 
CYS   CA  HA   sing N N 107 
CYS   C   O    doub N N 108 
CYS   C   OXT  sing N N 109 
CYS   CB  SG   sing N N 110 
CYS   CB  HB2  sing N N 111 
CYS   CB  HB3  sing N N 112 
CYS   SG  HG   sing N N 113 
CYS   OXT HXT  sing N N 114 
GLN   N   CA   sing N N 115 
GLN   N   H    sing N N 116 
GLN   N   H2   sing N N 117 
GLN   CA  C    sing N N 118 
GLN   CA  CB   sing N N 119 
GLN   CA  HA   sing N N 120 
GLN   C   O    doub N N 121 
GLN   C   OXT  sing N N 122 
GLN   CB  CG   sing N N 123 
GLN   CB  HB2  sing N N 124 
GLN   CB  HB3  sing N N 125 
GLN   CG  CD   sing N N 126 
GLN   CG  HG2  sing N N 127 
GLN   CG  HG3  sing N N 128 
GLN   CD  OE1  doub N N 129 
GLN   CD  NE2  sing N N 130 
GLN   NE2 HE21 sing N N 131 
GLN   NE2 HE22 sing N N 132 
GLN   OXT HXT  sing N N 133 
GLU   N   CA   sing N N 134 
GLU   N   H    sing N N 135 
GLU   N   H2   sing N N 136 
GLU   CA  C    sing N N 137 
GLU   CA  CB   sing N N 138 
GLU   CA  HA   sing N N 139 
GLU   C   O    doub N N 140 
GLU   C   OXT  sing N N 141 
GLU   CB  CG   sing N N 142 
GLU   CB  HB2  sing N N 143 
GLU   CB  HB3  sing N N 144 
GLU   CG  CD   sing N N 145 
GLU   CG  HG2  sing N N 146 
GLU   CG  HG3  sing N N 147 
GLU   CD  OE1  doub N N 148 
GLU   CD  OE2  sing N N 149 
GLU   OE2 HE2  sing N N 150 
GLU   OXT HXT  sing N N 151 
GLY   N   CA   sing N N 152 
GLY   N   H    sing N N 153 
GLY   N   H2   sing N N 154 
GLY   CA  C    sing N N 155 
GLY   CA  HA2  sing N N 156 
GLY   CA  HA3  sing N N 157 
GLY   C   O    doub N N 158 
GLY   C   OXT  sing N N 159 
GLY   OXT HXT  sing N N 160 
HIS   N   CA   sing N N 161 
HIS   N   H    sing N N 162 
HIS   N   H2   sing N N 163 
HIS   CA  C    sing N N 164 
HIS   CA  CB   sing N N 165 
HIS   CA  HA   sing N N 166 
HIS   C   O    doub N N 167 
HIS   C   OXT  sing N N 168 
HIS   CB  CG   sing N N 169 
HIS   CB  HB2  sing N N 170 
HIS   CB  HB3  sing N N 171 
HIS   CG  ND1  sing Y N 172 
HIS   CG  CD2  doub Y N 173 
HIS   ND1 CE1  doub Y N 174 
HIS   ND1 HD1  sing N N 175 
HIS   CD2 NE2  sing Y N 176 
HIS   CD2 HD2  sing N N 177 
HIS   CE1 NE2  sing Y N 178 
HIS   CE1 HE1  sing N N 179 
HIS   NE2 HE2  sing N N 180 
HIS   OXT HXT  sing N N 181 
HOH   O   H1   sing N N 182 
HOH   O   H2   sing N N 183 
ILE   N   CA   sing N N 184 
ILE   N   H    sing N N 185 
ILE   N   H2   sing N N 186 
ILE   CA  C    sing N N 187 
ILE   CA  CB   sing N N 188 
ILE   CA  HA   sing N N 189 
ILE   C   O    doub N N 190 
ILE   C   OXT  sing N N 191 
ILE   CB  CG1  sing N N 192 
ILE   CB  CG2  sing N N 193 
ILE   CB  HB   sing N N 194 
ILE   CG1 CD1  sing N N 195 
ILE   CG1 HG12 sing N N 196 
ILE   CG1 HG13 sing N N 197 
ILE   CG2 HG21 sing N N 198 
ILE   CG2 HG22 sing N N 199 
ILE   CG2 HG23 sing N N 200 
ILE   CD1 HD11 sing N N 201 
ILE   CD1 HD12 sing N N 202 
ILE   CD1 HD13 sing N N 203 
ILE   OXT HXT  sing N N 204 
LEU   N   CA   sing N N 205 
LEU   N   H    sing N N 206 
LEU   N   H2   sing N N 207 
LEU   CA  C    sing N N 208 
LEU   CA  CB   sing N N 209 
LEU   CA  HA   sing N N 210 
LEU   C   O    doub N N 211 
LEU   C   OXT  sing N N 212 
LEU   CB  CG   sing N N 213 
LEU   CB  HB2  sing N N 214 
LEU   CB  HB3  sing N N 215 
LEU   CG  CD1  sing N N 216 
LEU   CG  CD2  sing N N 217 
LEU   CG  HG   sing N N 218 
LEU   CD1 HD11 sing N N 219 
LEU   CD1 HD12 sing N N 220 
LEU   CD1 HD13 sing N N 221 
LEU   CD2 HD21 sing N N 222 
LEU   CD2 HD22 sing N N 223 
LEU   CD2 HD23 sing N N 224 
LEU   OXT HXT  sing N N 225 
LYS   N   CA   sing N N 226 
LYS   N   H    sing N N 227 
LYS   N   H2   sing N N 228 
LYS   CA  C    sing N N 229 
LYS   CA  CB   sing N N 230 
LYS   CA  HA   sing N N 231 
LYS   C   O    doub N N 232 
LYS   C   OXT  sing N N 233 
LYS   CB  CG   sing N N 234 
LYS   CB  HB2  sing N N 235 
LYS   CB  HB3  sing N N 236 
LYS   CG  CD   sing N N 237 
LYS   CG  HG2  sing N N 238 
LYS   CG  HG3  sing N N 239 
LYS   CD  CE   sing N N 240 
LYS   CD  HD2  sing N N 241 
LYS   CD  HD3  sing N N 242 
LYS   CE  NZ   sing N N 243 
LYS   CE  HE2  sing N N 244 
LYS   CE  HE3  sing N N 245 
LYS   NZ  HZ1  sing N N 246 
LYS   NZ  HZ2  sing N N 247 
LYS   NZ  HZ3  sing N N 248 
LYS   OXT HXT  sing N N 249 
MET   N   CA   sing N N 250 
MET   N   H    sing N N 251 
MET   N   H2   sing N N 252 
MET   CA  C    sing N N 253 
MET   CA  CB   sing N N 254 
MET   CA  HA   sing N N 255 
MET   C   O    doub N N 256 
MET   C   OXT  sing N N 257 
MET   CB  CG   sing N N 258 
MET   CB  HB2  sing N N 259 
MET   CB  HB3  sing N N 260 
MET   CG  SD   sing N N 261 
MET   CG  HG2  sing N N 262 
MET   CG  HG3  sing N N 263 
MET   SD  CE   sing N N 264 
MET   CE  HE1  sing N N 265 
MET   CE  HE2  sing N N 266 
MET   CE  HE3  sing N N 267 
MET   OXT HXT  sing N N 268 
PHE   N   CA   sing N N 269 
PHE   N   H    sing N N 270 
PHE   N   H2   sing N N 271 
PHE   CA  C    sing N N 272 
PHE   CA  CB   sing N N 273 
PHE   CA  HA   sing N N 274 
PHE   C   O    doub N N 275 
PHE   C   OXT  sing N N 276 
PHE   CB  CG   sing N N 277 
PHE   CB  HB2  sing N N 278 
PHE   CB  HB3  sing N N 279 
PHE   CG  CD1  doub Y N 280 
PHE   CG  CD2  sing Y N 281 
PHE   CD1 CE1  sing Y N 282 
PHE   CD1 HD1  sing N N 283 
PHE   CD2 CE2  doub Y N 284 
PHE   CD2 HD2  sing N N 285 
PHE   CE1 CZ   doub Y N 286 
PHE   CE1 HE1  sing N N 287 
PHE   CE2 CZ   sing Y N 288 
PHE   CE2 HE2  sing N N 289 
PHE   CZ  HZ   sing N N 290 
PHE   OXT HXT  sing N N 291 
PRO   N   CA   sing N N 292 
PRO   N   CD   sing N N 293 
PRO   N   H    sing N N 294 
PRO   CA  C    sing N N 295 
PRO   CA  CB   sing N N 296 
PRO   CA  HA   sing N N 297 
PRO   C   O    doub N N 298 
PRO   C   OXT  sing N N 299 
PRO   CB  CG   sing N N 300 
PRO   CB  HB2  sing N N 301 
PRO   CB  HB3  sing N N 302 
PRO   CG  CD   sing N N 303 
PRO   CG  HG2  sing N N 304 
PRO   CG  HG3  sing N N 305 
PRO   CD  HD2  sing N N 306 
PRO   CD  HD3  sing N N 307 
PRO   OXT HXT  sing N N 308 
SER   N   CA   sing N N 309 
SER   N   H    sing N N 310 
SER   N   H2   sing N N 311 
SER   CA  C    sing N N 312 
SER   CA  CB   sing N N 313 
SER   CA  HA   sing N N 314 
SER   C   O    doub N N 315 
SER   C   OXT  sing N N 316 
SER   CB  OG   sing N N 317 
SER   CB  HB2  sing N N 318 
SER   CB  HB3  sing N N 319 
SER   OG  HG   sing N N 320 
SER   OXT HXT  sing N N 321 
THR   N   CA   sing N N 322 
THR   N   H    sing N N 323 
THR   N   H2   sing N N 324 
THR   CA  C    sing N N 325 
THR   CA  CB   sing N N 326 
THR   CA  HA   sing N N 327 
THR   C   O    doub N N 328 
THR   C   OXT  sing N N 329 
THR   CB  OG1  sing N N 330 
THR   CB  CG2  sing N N 331 
THR   CB  HB   sing N N 332 
THR   OG1 HG1  sing N N 333 
THR   CG2 HG21 sing N N 334 
THR   CG2 HG22 sing N N 335 
THR   CG2 HG23 sing N N 336 
THR   OXT HXT  sing N N 337 
TRP   N   CA   sing N N 338 
TRP   N   H    sing N N 339 
TRP   N   H2   sing N N 340 
TRP   CA  C    sing N N 341 
TRP   CA  CB   sing N N 342 
TRP   CA  HA   sing N N 343 
TRP   C   O    doub N N 344 
TRP   C   OXT  sing N N 345 
TRP   CB  CG   sing N N 346 
TRP   CB  HB2  sing N N 347 
TRP   CB  HB3  sing N N 348 
TRP   CG  CD1  doub Y N 349 
TRP   CG  CD2  sing Y N 350 
TRP   CD1 NE1  sing Y N 351 
TRP   CD1 HD1  sing N N 352 
TRP   CD2 CE2  doub Y N 353 
TRP   CD2 CE3  sing Y N 354 
TRP   NE1 CE2  sing Y N 355 
TRP   NE1 HE1  sing N N 356 
TRP   CE2 CZ2  sing Y N 357 
TRP   CE3 CZ3  doub Y N 358 
TRP   CE3 HE3  sing N N 359 
TRP   CZ2 CH2  doub Y N 360 
TRP   CZ2 HZ2  sing N N 361 
TRP   CZ3 CH2  sing Y N 362 
TRP   CZ3 HZ3  sing N N 363 
TRP   CH2 HH2  sing N N 364 
TRP   OXT HXT  sing N N 365 
TYR   N   CA   sing N N 366 
TYR   N   H    sing N N 367 
TYR   N   H2   sing N N 368 
TYR   CA  C    sing N N 369 
TYR   CA  CB   sing N N 370 
TYR   CA  HA   sing N N 371 
TYR   C   O    doub N N 372 
TYR   C   OXT  sing N N 373 
TYR   CB  CG   sing N N 374 
TYR   CB  HB2  sing N N 375 
TYR   CB  HB3  sing N N 376 
TYR   CG  CD1  doub Y N 377 
TYR   CG  CD2  sing Y N 378 
TYR   CD1 CE1  sing Y N 379 
TYR   CD1 HD1  sing N N 380 
TYR   CD2 CE2  doub Y N 381 
TYR   CD2 HD2  sing N N 382 
TYR   CE1 CZ   doub Y N 383 
TYR   CE1 HE1  sing N N 384 
TYR   CE2 CZ   sing Y N 385 
TYR   CE2 HE2  sing N N 386 
TYR   CZ  OH   sing N N 387 
TYR   OH  HH   sing N N 388 
TYR   OXT HXT  sing N N 389 
VAL   N   CA   sing N N 390 
VAL   N   H    sing N N 391 
VAL   N   H2   sing N N 392 
VAL   CA  C    sing N N 393 
VAL   CA  CB   sing N N 394 
VAL   CA  HA   sing N N 395 
VAL   C   O    doub N N 396 
VAL   C   OXT  sing N N 397 
VAL   CB  CG1  sing N N 398 
VAL   CB  CG2  sing N N 399 
VAL   CB  HB   sing N N 400 
VAL   CG1 HG11 sing N N 401 
VAL   CG1 HG12 sing N N 402 
VAL   CG1 HG13 sing N N 403 
VAL   CG2 HG21 sing N N 404 
VAL   CG2 HG22 sing N N 405 
VAL   CG2 HG23 sing N N 406 
VAL   OXT HXT  sing N N 407 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                Italy 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   6Z2U 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9GW0 
_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]   0.017290 
_atom_sites.fract_transf_matrix[1][2]   0.009983 
_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]   0.019965 
_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]   0.009814 
_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 
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   . MET   A 1 4   ? 29.203 -8.071  -28.791 1.00 91.18  ? 0   MET   A N   1 
ATOM   2    C CA  . MET   A 1 4   ? 28.145 -7.410  -27.978 1.00 113.63 ? 0   MET   A CA  1 
ATOM   3    C C   . MET   A 1 4   ? 28.094 -8.031  -26.584 1.00 123.89 ? 0   MET   A C   1 
ATOM   4    O O   . MET   A 1 4   ? 28.325 -9.234  -26.451 1.00 118.61 ? 0   MET   A O   1 
ATOM   5    C CB  . MET   A 1 4   ? 26.777 -7.588  -28.641 1.00 117.90 ? 0   MET   A CB  1 
ATOM   6    C CG  . MET   A 1 4   ? 26.479 -6.533  -29.679 1.00 127.91 ? 0   MET   A CG  1 
ATOM   7    S SD  . MET   A 1 4   ? 24.719 -6.492  -30.104 1.00 140.15 ? 0   MET   A SD  1 
ATOM   8    C CE  . MET   A 1 4   ? 24.479 -4.729  -30.340 1.00 144.51 ? 0   MET   A CE  1 
ATOM   9    N N   . PRO   A 1 5   ? 27.776 -7.235  -25.524 1.00 129.29 ? 1   PRO   A N   1 
ATOM   10   C CA  . PRO   A 1 5   ? 27.630 -7.735  -24.145 1.00 122.32 ? 1   PRO   A CA  1 
ATOM   11   C C   . PRO   A 1 5   ? 26.775 -9.000  -23.997 1.00 109.06 ? 1   PRO   A C   1 
ATOM   12   O O   . PRO   A 1 5   ? 25.555 -8.980  -24.165 1.00 111.54 ? 1   PRO   A O   1 
ATOM   13   C CB  . PRO   A 1 5   ? 27.060 -6.533  -23.365 1.00 122.68 ? 1   PRO   A CB  1 
ATOM   14   C CG  . PRO   A 1 5   ? 26.599 -5.564  -24.444 1.00 130.01 ? 1   PRO   A CG  1 
ATOM   15   C CD  . PRO   A 1 5   ? 27.561 -5.779  -25.595 1.00 124.04 ? 1   PRO   A CD  1 
ATOM   16   N N   . ASN   A 1 6   ? 27.446 -10.099 -23.637 1.00 95.24  ? 2   ASN   A N   1 
ATOM   17   C CA  . ASN   A 1 6   ? 26.823 -11.387 -23.374 1.00 81.54  ? 2   ASN   A CA  1 
ATOM   18   C C   . ASN   A 1 6   ? 27.602 -12.010 -22.216 1.00 74.63  ? 2   ASN   A C   1 
ATOM   19   O O   . ASN   A 1 6   ? 28.319 -11.308 -21.505 1.00 78.57  ? 2   ASN   A O   1 
ATOM   20   C CB  . ASN   A 1 6   ? 26.709 -12.272 -24.625 1.00 75.46  ? 2   ASN   A CB  1 
ATOM   21   C CG  . ASN   A 1 6   ? 28.035 -12.667 -25.257 1.00 83.03  ? 2   ASN   A CG  1 
ATOM   22   O OD1 . ASN   A 1 6   ? 29.105 -12.534 -24.654 1.00 84.16  ? 2   ASN   A OD1 1 
ATOM   23   N ND2 . ASN   A 1 6   ? 27.977 -13.200 -26.468 1.00 64.82  ? 2   ASN   A ND2 1 
ATOM   24   N N   . PHE   A 1 7   ? 27.496 -13.332 -22.055 1.00 70.21  ? 3   PHE   A N   1 
ATOM   25   C CA  . PHE   A 1 7   ? 28.236 -14.046 -21.025 1.00 66.99  ? 3   PHE   A CA  1 
ATOM   26   C C   . PHE   A 1 7   ? 29.749 -13.912 -21.178 1.00 61.71  ? 3   PHE   A C   1 
ATOM   27   O O   . PHE   A 1 7   ? 30.475 -14.188 -20.237 1.00 74.80  ? 3   PHE   A O   1 
ATOM   28   C CB  . PHE   A 1 7   ? 27.916 -15.537 -21.050 1.00 62.19  ? 3   PHE   A CB  1 
ATOM   29   C CG  . PHE   A 1 7   ? 26.607 -15.900 -20.394 1.00 69.01  ? 3   PHE   A CG  1 
ATOM   30   C CD1 . PHE   A 1 7   ? 25.427 -15.895 -21.124 1.00 66.92  ? 3   PHE   A CD1 1 
ATOM   31   C CD2 . PHE   A 1 7   ? 26.560 -16.272 -19.058 1.00 55.85  ? 3   PHE   A CD2 1 
ATOM   32   C CE1 . PHE   A 1 7   ? 24.228 -16.251 -20.531 1.00 68.48  ? 3   PHE   A CE1 1 
ATOM   33   C CE2 . PHE   A 1 7   ? 25.356 -16.614 -18.468 1.00 57.12  ? 3   PHE   A CE2 1 
ATOM   34   C CZ  . PHE   A 1 7   ? 24.200 -16.623 -19.207 1.00 60.90  ? 3   PHE   A CZ  1 
ATOM   35   N N   . SER   A 1 8   ? 30.236 -13.521 -22.350 1.00 61.05  ? 4   SER   A N   1 
ATOM   36   C CA  . SER   A 1 8   ? 31.672 -13.535 -22.578 1.00 64.06  ? 4   SER   A CA  1 
ATOM   37   C C   . SER   A 1 8   ? 32.372 -12.619 -21.588 1.00 63.90  ? 4   SER   A C   1 
ATOM   38   O O   . SER   A 1 8   ? 31.845 -11.572 -21.238 1.00 76.96  ? 4   SER   A O   1 
ATOM   39   C CB  . SER   A 1 8   ? 32.016 -13.148 -23.990 1.00 59.47  ? 4   SER   A CB  1 
ATOM   40   O OG  . SER   A 1 8   ? 31.707 -14.212 -24.871 1.00 82.70  ? 4   SER   A OG  1 
ATOM   41   N N   . GLY   A 1 9   ? 33.559 -13.034 -21.138 1.00 73.05  ? 5   GLY   A N   1 
ATOM   42   C CA  . GLY   A 1 9   ? 34.446 -12.136 -20.417 1.00 70.77  ? 5   GLY   A CA  1 
ATOM   43   C C   . GLY   A 1 9   ? 35.264 -12.804 -19.310 1.00 71.17  ? 5   GLY   A C   1 
ATOM   44   O O   . GLY   A 1 9   ? 35.477 -14.025 -19.283 1.00 67.40  ? 5   GLY   A O   1 
ATOM   45   N N   . ASN   A 1 10  ? 35.748 -11.947 -18.410 1.00 61.63  ? 6   ASN   A N   1 
ATOM   46   C CA  . ASN   A 1 10  ? 36.608 -12.366 -17.333 1.00 61.26  ? 6   ASN   A CA  1 
ATOM   47   C C   . ASN   A 1 10  ? 35.910 -11.938 -16.063 1.00 65.77  ? 6   ASN   A C   1 
ATOM   48   O O   . ASN   A 1 10  ? 35.696 -10.742 -15.866 1.00 73.36  ? 6   ASN   A O   1 
ATOM   49   C CB  . ASN   A 1 10  ? 37.999 -11.713 -17.399 1.00 67.63  ? 6   ASN   A CB  1 
ATOM   50   C CG  . ASN   A 1 10  ? 38.768 -12.070 -18.656 1.00 72.70  ? 6   ASN   A CG  1 
ATOM   51   O OD1 . ASN   A 1 10  ? 39.236 -13.194 -18.830 1.00 65.34  ? 6   ASN   A OD1 1 
ATOM   52   N ND2 . ASN   A 1 10  ? 38.874 -11.115 -19.563 1.00 81.96  ? 6   ASN   A ND2 1 
ATOM   53   N N   . TRP   A 1 11  ? 35.591 -12.933 -15.226 1.00 59.11  ? 7   TRP   A N   1 
ATOM   54   C CA  . TRP   A 1 11  ? 34.829 -12.727 -14.008 1.00 60.16  ? 7   TRP   A CA  1 
ATOM   55   C C   . TRP   A 1 11  ? 35.673 -13.088 -12.796 1.00 60.08  ? 7   TRP   A C   1 
ATOM   56   O O   . TRP   A 1 11  ? 36.460 -14.034 -12.861 1.00 66.05  ? 7   TRP   A O   1 
ATOM   57   C CB  . TRP   A 1 11  ? 33.574 -13.604 -14.054 1.00 59.34  ? 7   TRP   A CB  1 
ATOM   58   C CG  . TRP   A 1 11  ? 32.739 -13.359 -15.267 1.00 60.70  ? 7   TRP   A CG  1 
ATOM   59   C CD1 . TRP   A 1 11  ? 32.847 -13.964 -16.488 1.00 62.55  ? 7   TRP   A CD1 1 
ATOM   60   C CD2 . TRP   A 1 11  ? 31.686 -12.392 -15.384 1.00 59.51  ? 7   TRP   A CD2 1 
ATOM   61   N NE1 . TRP   A 1 11  ? 31.917 -13.450 -17.352 1.00 62.42  ? 7   TRP   A NE1 1 
ATOM   62   C CE2 . TRP   A 1 11  ? 31.190 -12.486 -16.702 1.00 60.19  ? 7   TRP   A CE2 1 
ATOM   63   C CE3 . TRP   A 1 11  ? 31.107 -11.473 -14.502 1.00 57.84  ? 7   TRP   A CE3 1 
ATOM   64   C CZ2 . TRP   A 1 11  ? 30.132 -11.694 -17.151 1.00 59.42  ? 7   TRP   A CZ2 1 
ATOM   65   C CZ3 . TRP   A 1 11  ? 30.061 -10.693 -14.946 1.00 56.91  ? 7   TRP   A CZ3 1 
ATOM   66   C CH2 . TRP   A 1 11  ? 29.564 -10.821 -16.246 1.00 57.12  ? 7   TRP   A CH2 1 
ATOM   67   N N   . LYS   A 1 12  ? 35.431 -12.368 -11.690 1.00 64.50  ? 8   LYS   A N   1 
ATOM   68   C CA  . LYS   A 1 12  ? 36.074 -12.540 -10.393 1.00 55.30  ? 8   LYS   A CA  1 
ATOM   69   C C   . LYS   A 1 12  ? 34.973 -12.576 -9.334  1.00 62.13  ? 8   LYS   A C   1 
ATOM   70   O O   . LYS   A 1 12  ? 34.130 -11.667 -9.280  1.00 70.48  ? 8   LYS   A O   1 
ATOM   71   C CB  . LYS   A 1 12  ? 37.010 -11.353 -10.133 1.00 51.59  ? 8   LYS   A CB  1 
ATOM   72   N N   . ILE   A 1 13  ? 34.981 -13.634 -8.506  1.00 58.96  ? 9   ILE   A N   1 
ATOM   73   C CA  . ILE   A 1 13  ? 33.933 -13.883 -7.523  1.00 56.79  ? 9   ILE   A CA  1 
ATOM   74   C C   . ILE   A 1 13  ? 33.862 -12.719 -6.539  1.00 60.77  ? 9   ILE   A C   1 
ATOM   75   O O   . ILE   A 1 13  ? 34.890 -12.175 -6.162  1.00 61.89  ? 9   ILE   A O   1 
ATOM   76   C CB  . ILE   A 1 13  ? 34.192 -15.217 -6.798  1.00 54.81  ? 9   ILE   A CB  1 
ATOM   77   C CG1 . ILE   A 1 13  ? 33.019 -15.641 -5.918  1.00 48.02  ? 9   ILE   A CG1 1 
ATOM   78   C CG2 . ILE   A 1 13  ? 35.488 -15.207 -5.993  1.00 49.59  ? 9   ILE   A CG2 1 
ATOM   79   C CD1 . ILE   A 1 13  ? 33.004 -17.153 -5.679  1.00 49.02  ? 9   ILE   A CD1 1 
ATOM   80   N N   . ILE   A 1 14  ? 32.657 -12.354 -6.093  1.00 64.58  ? 10  ILE   A N   1 
ATOM   81   C CA  . ILE   A 1 14  ? 32.590 -11.388 -5.007  1.00 59.25  ? 10  ILE   A CA  1 
ATOM   82   C C   . ILE   A 1 14  ? 31.853 -11.937 -3.782  1.00 66.70  ? 10  ILE   A C   1 
ATOM   83   O O   . ILE   A 1 14  ? 31.896 -11.327 -2.719  1.00 64.33  ? 10  ILE   A O   1 
ATOM   84   C CB  . ILE   A 1 14  ? 32.032 -10.025 -5.459  1.00 59.79  ? 10  ILE   A CB  1 
ATOM   85   C CG1 . ILE   A 1 14  ? 30.610 -10.105 -6.003  1.00 58.25  ? 10  ILE   A CG1 1 
ATOM   86   C CG2 . ILE   A 1 14  ? 32.978 -9.309  -6.414  1.00 53.88  ? 10  ILE   A CG2 1 
ATOM   87   C CD1 . ILE   A 1 14  ? 29.876 -8.788  -5.822  1.00 65.15  ? 10  ILE   A CD1 1 
ATOM   88   N N   . ARG   A 1 15  ? 31.200 -13.093 -3.912  1.00 67.73  ? 11  ARG   A N   1 
ATOM   89   C CA  . ARG   A 1 15  ? 30.401 -13.640 -2.832  1.00 68.11  ? 11  ARG   A CA  1 
ATOM   90   C C   . ARG   A 1 15  ? 30.189 -15.126 -3.095  1.00 71.72  ? 11  ARG   A C   1 
ATOM   91   O O   . ARG   A 1 15  ? 30.064 -15.548 -4.244  1.00 79.51  ? 11  ARG   A O   1 
ATOM   92   C CB  . ARG   A 1 15  ? 29.039 -12.947 -2.795  1.00 62.41  ? 11  ARG   A CB  1 
ATOM   93   C CG  . ARG   A 1 15  ? 28.223 -13.250 -1.548  1.00 84.65  ? 11  ARG   A CG  1 
ATOM   94   C CD  . ARG   A 1 15  ? 26.843 -12.610 -1.666  1.00 89.38  ? 11  ARG   A CD  1 
ATOM   95   N NE  . ARG   A 1 15  ? 27.014 -11.308 -2.299  1.00 88.56  ? 11  ARG   A NE  1 
ATOM   96   C CZ  . ARG   A 1 15  ? 26.154 -10.746 -3.142  1.00 93.58  ? 11  ARG   A CZ  1 
ATOM   97   N NH1 . ARG   A 1 15  ? 25.027 -11.376 -3.453  1.00 88.12  ? 11  ARG   A NH1 1 
ATOM   98   N NH2 . ARG   A 1 15  ? 26.439 -9.563  -3.674  1.00 84.93  ? 11  ARG   A NH2 1 
ATOM   99   N N   . SER   A 1 16  ? 30.116 -15.907 -2.016  1.00 70.23  ? 12  SER   A N   1 
ATOM   100  C CA  . SER   A 1 16  ? 30.040 -17.348 -2.133  1.00 62.39  ? 12  SER   A CA  1 
ATOM   101  C C   . SER   A 1 16  ? 29.285 -17.885 -0.936  1.00 62.69  ? 12  SER   A C   1 
ATOM   102  O O   . SER   A 1 16  ? 29.884 -18.052 0.119   1.00 72.13  ? 12  SER   A O   1 
ATOM   103  C CB  . SER   A 1 16  ? 31.423 -17.967 -2.249  1.00 63.67  ? 12  SER   A CB  1 
ATOM   104  O OG  . SER   A 1 16  ? 31.354 -19.390 -2.245  1.00 63.48  ? 12  SER   A OG  1 
ATOM   105  N N   . GLU   A 1 17  ? 27.986 -18.152 -1.126  1.00 61.06  ? 13  GLU   A N   1 
ATOM   106  C CA  . GLU   A 1 17  ? 27.092 -18.614 -0.070  1.00 61.50  ? 13  GLU   A CA  1 
ATOM   107  C C   . GLU   A 1 17  ? 26.822 -20.119 -0.220  1.00 58.87  ? 13  GLU   A C   1 
ATOM   108  O O   . GLU   A 1 17  ? 26.583 -20.603 -1.316  1.00 72.92  ? 13  GLU   A O   1 
ATOM   109  C CB  . GLU   A 1 17  ? 25.854 -17.714 -0.083  1.00 67.56  ? 13  GLU   A CB  1 
ATOM   110  C CG  . GLU   A 1 17  ? 24.523 -18.459 0.001   1.00 76.64  ? 13  GLU   A CG  1 
ATOM   111  N N   . ASN   A 1 18  ? 26.925 -20.874 0.874   1.00 53.89  ? 14  ASN   A N   1 
ATOM   112  C CA  . ASN   A 1 18  ? 26.587 -22.296 0.970   1.00 56.81  ? 14  ASN   A CA  1 
ATOM   113  C C   . ASN   A 1 18  ? 27.628 -23.267 0.403   1.00 55.35  ? 14  ASN   A C   1 
ATOM   114  O O   . ASN   A 1 18  ? 27.330 -24.459 0.259   1.00 55.28  ? 14  ASN   A O   1 
ATOM   115  C CB  . ASN   A 1 18  ? 25.164 -22.648 0.524   1.00 64.05  ? 14  ASN   A CB  1 
ATOM   116  C CG  . ASN   A 1 18  ? 24.127 -22.093 1.475   1.00 83.11  ? 14  ASN   A CG  1 
ATOM   117  O OD1 . ASN   A 1 18  ? 24.280 -22.217 2.690   1.00 89.44  ? 14  ASN   A OD1 1 
ATOM   118  N ND2 . ASN   A 1 18  ? 23.098 -21.450 0.938   1.00 80.09  ? 14  ASN   A ND2 1 
ATOM   119  N N   . PHE   A 1 19  ? 28.853 -22.797 0.133   1.00 51.56  ? 15  PHE   A N   1 
ATOM   120  C CA  . PHE   A 1 19  ? 29.827 -23.680 -0.488  1.00 52.44  ? 15  PHE   A CA  1 
ATOM   121  C C   . PHE   A 1 19  ? 30.117 -24.907 0.387   1.00 57.56  ? 15  PHE   A C   1 
ATOM   122  O O   . PHE   A 1 19  ? 30.120 -26.055 -0.083  1.00 59.31  ? 15  PHE   A O   1 
ATOM   123  C CB  . PHE   A 1 19  ? 31.049 -22.890 -0.960  1.00 57.94  ? 15  PHE   A CB  1 
ATOM   124  C CG  . PHE   A 1 19  ? 31.975 -23.701 -1.822  1.00 67.82  ? 15  PHE   A CG  1 
ATOM   125  C CD1 . PHE   A 1 19  ? 31.511 -24.323 -2.972  1.00 64.26  ? 15  PHE   A CD1 1 
ATOM   126  C CD2 . PHE   A 1 19  ? 33.301 -23.886 -1.463  1.00 72.03  ? 15  PHE   A CD2 1 
ATOM   127  C CE1 . PHE   A 1 19  ? 32.364 -25.091 -3.753  1.00 73.45  ? 15  PHE   A CE1 1 
ATOM   128  C CE2 . PHE   A 1 19  ? 34.157 -24.643 -2.256  1.00 70.76  ? 15  PHE   A CE2 1 
ATOM   129  C CZ  . PHE   A 1 19  ? 33.687 -25.250 -3.400  1.00 71.83  ? 15  PHE   A CZ  1 
ATOM   130  N N   . GLU   A 1 20  ? 30.337 -24.648 1.679   1.00 53.26  ? 16  GLU   A N   1 
ATOM   131  C CA  . GLU   A 1 20  ? 30.756 -25.647 2.643   1.00 57.96  ? 16  GLU   A CA  1 
ATOM   132  C C   . GLU   A 1 20  ? 29.686 -26.730 2.778   1.00 61.93  ? 16  GLU   A C   1 
ATOM   133  O O   . GLU   A 1 20  ? 30.000 -27.920 2.909   1.00 65.02  ? 16  GLU   A O   1 
ATOM   134  C CB  . GLU   A 1 20  ? 31.018 -24.899 3.949   1.00 62.72  ? 16  GLU   A CB  1 
ATOM   135  C CG  . GLU   A 1 20  ? 31.628 -25.743 5.051   1.00 74.07  ? 16  GLU   A CG  1 
ATOM   136  C CD  . GLU   A 1 20  ? 31.765 -25.034 6.392   1.00 77.79  ? 16  GLU   A CD  1 
ATOM   137  O OE1 . GLU   A 1 20  ? 31.531 -23.785 6.448   1.00 90.78  ? 16  GLU   A OE1 1 
ATOM   138  O OE2 . GLU   A 1 20  ? 32.123 -25.729 7.376   1.00 78.13  ? 16  GLU   A OE2 1 
ATOM   139  N N   . GLU   A 1 21  ? 28.419 -26.294 2.739   1.00 59.41  ? 17  GLU   A N   1 
ATOM   140  C CA  . GLU   A 1 21  ? 27.288 -27.169 2.976   1.00 59.17  ? 17  GLU   A CA  1 
ATOM   141  C C   . GLU   A 1 21  ? 27.157 -28.137 1.800   1.00 68.05  ? 17  GLU   A C   1 
ATOM   142  O O   . GLU   A 1 21  ? 26.899 -29.327 2.012   1.00 65.31  ? 17  GLU   A O   1 
ATOM   143  C CB  . GLU   A 1 21  ? 26.020 -26.344 3.199   1.00 68.99  ? 17  GLU   A CB  1 
ATOM   144  C CG  . GLU   A 1 21  ? 26.017 -25.513 4.479   1.00 73.99  ? 17  GLU   A CG  1 
ATOM   145  C CD  . GLU   A 1 21  ? 26.787 -24.191 4.486   1.00 90.50  ? 17  GLU   A CD  1 
ATOM   146  O OE1 . GLU   A 1 21  ? 27.468 -23.854 3.460   1.00 77.83  ? 17  GLU   A OE1 1 
ATOM   147  O OE2 . GLU   A 1 21  ? 26.729 -23.495 5.533   1.00 90.15  ? 17  GLU   A OE2 1 
ATOM   148  N N   . LEU   A 1 22  ? 27.375 -27.612 0.577   1.00 63.94  ? 18  LEU   A N   1 
ATOM   149  C CA  . LEU   A 1 22  ? 27.406 -28.389 -0.658  1.00 60.12  ? 18  LEU   A CA  1 
ATOM   150  C C   . LEU   A 1 22  ? 28.477 -29.483 -0.573  1.00 60.98  ? 18  LEU   A C   1 
ATOM   151  O O   . LEU   A 1 22  ? 28.159 -30.657 -0.727  1.00 67.13  ? 18  LEU   A O   1 
ATOM   152  C CB  . LEU   A 1 22  ? 27.634 -27.448 -1.849  1.00 57.92  ? 18  LEU   A CB  1 
ATOM   153  C CG  . LEU   A 1 22  ? 27.561 -28.078 -3.249  1.00 67.95  ? 18  LEU   A CG  1 
ATOM   154  C CD1 . LEU   A 1 22  ? 26.135 -28.149 -3.770  1.00 65.47  ? 18  LEU   A CD1 1 
ATOM   155  C CD2 . LEU   A 1 22  ? 28.402 -27.293 -4.240  1.00 57.88  ? 18  LEU   A CD2 1 
ATOM   156  N N   . LEU   A 1 23  ? 29.733 -29.110 -0.294  1.00 58.80  ? 19  LEU   A N   1 
ATOM   157  C CA  . LEU   A 1 23  ? 30.810 -30.087 -0.206  1.00 63.67  ? 19  LEU   A CA  1 
ATOM   158  C C   . LEU   A 1 23  ? 30.484 -31.135 0.847   1.00 68.34  ? 19  LEU   A C   1 
ATOM   159  O O   . LEU   A 1 23  ? 30.926 -32.285 0.750   1.00 65.37  ? 19  LEU   A O   1 
ATOM   160  C CB  . LEU   A 1 23  ? 32.128 -29.394 0.146   1.00 63.94  ? 19  LEU   A CB  1 
ATOM   161  C CG  . LEU   A 1 23  ? 32.587 -28.360 -0.878  1.00 73.40  ? 19  LEU   A CG  1 
ATOM   162  C CD1 . LEU   A 1 23  ? 33.800 -27.618 -0.370  1.00 84.08  ? 19  LEU   A CD1 1 
ATOM   163  C CD2 . LEU   A 1 23  ? 32.895 -29.000 -2.223  1.00 72.72  ? 19  LEU   A CD2 1 
ATOM   164  N N   . LYS   A 1 24  ? 29.734 -30.714 1.870   1.00 70.03  ? 20  LYS   A N   1 
ATOM   165  C CA  . LYS   A 1 24  ? 29.364 -31.641 2.929   1.00 74.44  ? 20  LYS   A CA  1 
ATOM   166  C C   . LYS   A 1 24  ? 28.432 -32.733 2.391   1.00 76.51  ? 20  LYS   A C   1 
ATOM   167  O O   . LYS   A 1 24  ? 28.605 -33.905 2.715   1.00 70.39  ? 20  LYS   A O   1 
ATOM   168  C CB  . LYS   A 1 24  ? 28.774 -30.896 4.128   1.00 70.93  ? 20  LYS   A CB  1 
ATOM   169  C CG  . LYS   A 1 24  ? 28.656 -31.728 5.396   1.00 64.81  ? 20  LYS   A CG  1 
ATOM   170  C CD  . LYS   A 1 24  ? 27.907 -30.959 6.447   1.00 73.31  ? 20  LYS   A CD  1 
ATOM   171  C CE  . LYS   A 1 24  ? 27.636 -31.718 7.728   1.00 77.58  ? 20  LYS   A CE  1 
ATOM   172  N NZ  . LYS   A 1 24  ? 26.664 -30.973 8.564   1.00 80.11  ? 20  LYS   A NZ  1 
ATOM   173  N N   . VAL   A 1 25  ? 27.455 -32.343 1.557   1.00 73.84  ? 21  VAL   A N   1 
ATOM   174  C CA  . VAL   A 1 25  ? 26.523 -33.293 0.977   1.00 69.08  ? 21  VAL   A CA  1 
ATOM   175  C C   . VAL   A 1 25  ? 27.297 -34.293 0.124   1.00 71.71  ? 21  VAL   A C   1 
ATOM   176  O O   . VAL   A 1 25  ? 26.871 -35.434 -0.023  1.00 80.21  ? 21  VAL   A O   1 
ATOM   177  C CB  . VAL   A 1 25  ? 25.427 -32.594 0.151   1.00 70.80  ? 21  VAL   A CB  1 
ATOM   178  C CG1 . VAL   A 1 25  ? 24.530 -33.619 -0.516  1.00 78.43  ? 21  VAL   A CG1 1 
ATOM   179  C CG2 . VAL   A 1 25  ? 24.588 -31.646 0.989   1.00 68.70  ? 21  VAL   A CG2 1 
ATOM   180  N N   . LEU   A 1 26  ? 28.439 -33.845 -0.411  1.00 66.49  ? 22  LEU   A N   1 
ATOM   181  C CA  . LEU   A 1 26  ? 29.285 -34.639 -1.285  1.00 71.91  ? 22  LEU   A CA  1 
ATOM   182  C C   . LEU   A 1 26  ? 30.328 -35.396 -0.456  1.00 76.80  ? 22  LEU   A C   1 
ATOM   183  O O   . LEU   A 1 26  ? 31.216 -36.051 -0.996  1.00 91.57  ? 22  LEU   A O   1 
ATOM   184  C CB  . LEU   A 1 26  ? 29.940 -33.705 -2.316  1.00 78.25  ? 22  LEU   A CB  1 
ATOM   185  C CG  . LEU   A 1 26  ? 29.060 -32.597 -2.911  1.00 81.66  ? 22  LEU   A CG  1 
ATOM   186  C CD1 . LEU   A 1 26  ? 29.864 -31.652 -3.783  1.00 90.78  ? 22  LEU   A CD1 1 
ATOM   187  C CD2 . LEU   A 1 26  ? 27.917 -33.150 -3.740  1.00 84.30  ? 22  LEU   A CD2 1 
ATOM   188  N N   . GLY   A 1 27  ? 30.234 -35.312 0.871   1.00 72.42  ? 23  GLY   A N   1 
ATOM   189  C CA  . GLY   A 1 27  ? 31.069 -36.161 1.707   1.00 66.71  ? 23  GLY   A CA  1 
ATOM   190  C C   . GLY   A 1 27  ? 32.535 -35.733 1.773   1.00 68.02  ? 23  GLY   A C   1 
ATOM   191  O O   . GLY   A 1 27  ? 33.375 -36.528 2.182   1.00 82.25  ? 23  GLY   A O   1 
ATOM   192  N N   . VAL   A 1 28  ? 32.841 -34.482 1.404   1.00 64.25  ? 24  VAL   A N   1 
ATOM   193  C CA  . VAL   A 1 28  ? 34.131 -33.879 1.700   1.00 61.14  ? 24  VAL   A CA  1 
ATOM   194  C C   . VAL   A 1 28  ? 34.246 -33.679 3.210   1.00 62.18  ? 24  VAL   A C   1 
ATOM   195  O O   . VAL   A 1 28  ? 33.393 -33.027 3.813   1.00 74.62  ? 24  VAL   A O   1 
ATOM   196  C CB  . VAL   A 1 28  ? 34.248 -32.514 1.008   1.00 63.68  ? 24  VAL   A CB  1 
ATOM   197  C CG1 . VAL   A 1 28  ? 35.571 -31.830 1.307   1.00 65.33  ? 24  VAL   A CG1 1 
ATOM   198  C CG2 . VAL   A 1 28  ? 34.010 -32.618 -0.477  1.00 66.52  ? 24  VAL   A CG2 1 
ATOM   199  N N   . ASN   A 1 29  ? 35.326 -34.186 3.817   1.00 67.53  ? 25  ASN   A N   1 
ATOM   200  C CA  . ASN   A 1 29  ? 35.572 -33.992 5.244   1.00 66.33  ? 25  ASN   A CA  1 
ATOM   201  C C   . ASN   A 1 29  ? 35.835 -32.513 5.560   1.00 69.45  ? 25  ASN   A C   1 
ATOM   202  O O   . ASN   A 1 29  ? 36.127 -31.684 4.677   1.00 66.65  ? 25  ASN   A O   1 
ATOM   203  C CB  . ASN   A 1 29  ? 36.659 -34.934 5.781   1.00 72.62  ? 25  ASN   A CB  1 
ATOM   204  C CG  . ASN   A 1 29  ? 38.080 -34.464 5.497   1.00 91.43  ? 25  ASN   A CG  1 
ATOM   205  O OD1 . ASN   A 1 29  ? 38.455 -33.316 5.737   1.00 89.21  ? 25  ASN   A OD1 1 
ATOM   206  N ND2 . ASN   A 1 29  ? 38.913 -35.358 4.996   1.00 106.27 ? 25  ASN   A ND2 1 
ATOM   207  N N   . VAL   A 1 30  ? 35.779 -32.215 6.863   1.00 66.63  ? 26  VAL   A N   1 
ATOM   208  C CA  . VAL   A 1 30  ? 35.771 -30.868 7.409   1.00 66.04  ? 26  VAL   A CA  1 
ATOM   209  C C   . VAL   A 1 30  ? 37.029 -30.075 7.058   1.00 71.35  ? 26  VAL   A C   1 
ATOM   210  O O   . VAL   A 1 30  ? 36.926 -28.918 6.634   1.00 69.16  ? 26  VAL   A O   1 
ATOM   211  C CB  . VAL   A 1 30  ? 35.589 -30.892 8.927   1.00 65.80  ? 26  VAL   A CB  1 
ATOM   212  C CG1 . VAL   A 1 30  ? 35.154 -29.511 9.382   1.00 62.74  ? 26  VAL   A CG1 1 
ATOM   213  C CG2 . VAL   A 1 30  ? 34.585 -31.962 9.339   1.00 77.56  ? 26  VAL   A CG2 1 
ATOM   214  N N   . MET   A 1 31  ? 38.209 -30.656 7.316   1.00 63.66  ? 27  MET   A N   1 
ATOM   215  C CA  . MET   A 1 31  ? 39.441 -29.932 7.044   1.00 68.48  ? 27  MET   A CA  1 
ATOM   216  C C   . MET   A 1 31  ? 39.504 -29.546 5.553   1.00 70.48  ? 27  MET   A C   1 
ATOM   217  O O   . MET   A 1 31  ? 39.760 -28.383 5.210   1.00 61.73  ? 27  MET   A O   1 
ATOM   218  C CB  . MET   A 1 31  ? 40.691 -30.692 7.517   1.00 70.48  ? 27  MET   A CB  1 
ATOM   219  C CG  . MET   A 1 31  ? 41.983 -29.899 7.304   1.00 87.76  ? 27  MET   A CG  1 
ATOM   220  S SD  . MET   A 1 31  ? 43.390 -30.679 6.407   1.00 114.57 ? 27  MET   A SD  1 
ATOM   221  C CE  . MET   A 1 31  ? 42.714 -31.027 4.788   1.00 76.89  ? 27  MET   A CE  1 
ATOM   222  N N   . LEU   A 1 32  ? 39.195 -30.494 4.658   1.00 61.76  ? 28  LEU   A N   1 
ATOM   223  C CA  . LEU   A 1 32  ? 39.221 -30.153 3.244   1.00 64.32  ? 28  LEU   A CA  1 
ATOM   224  C C   . LEU   A 1 32  ? 38.131 -29.145 2.910   1.00 64.82  ? 28  LEU   A C   1 
ATOM   225  O O   . LEU   A 1 32  ? 38.384 -28.219 2.135   1.00 67.20  ? 28  LEU   A O   1 
ATOM   226  C CB  . LEU   A 1 32  ? 39.087 -31.387 2.352   1.00 65.16  ? 28  LEU   A CB  1 
ATOM   227  C CG  . LEU   A 1 32  ? 40.158 -32.469 2.497   1.00 72.32  ? 28  LEU   A CG  1 
ATOM   228  C CD1 . LEU   A 1 32  ? 39.693 -33.755 1.817   1.00 78.20  ? 28  LEU   A CD1 1 
ATOM   229  C CD2 . LEU   A 1 32  ? 41.462 -32.014 1.885   1.00 64.51  ? 28  LEU   A CD2 1 
ATOM   230  N N   . ARG   A 1 33  ? 36.927 -29.319 3.478   1.00 62.02  ? 29  ARG   A N   1 
ATOM   231  C CA  . ARG   A 1 33  ? 35.877 -28.359 3.161   1.00 56.06  ? 29  ARG   A CA  1 
ATOM   232  C C   . ARG   A 1 33  ? 36.377 -26.963 3.500   1.00 55.63  ? 29  ARG   A C   1 
ATOM   233  O O   . ARG   A 1 33  ? 36.142 -26.032 2.730   1.00 59.14  ? 29  ARG   A O   1 
ATOM   234  C CB  . ARG   A 1 33  ? 34.568 -28.559 3.924   1.00 56.50  ? 29  ARG   A CB  1 
ATOM   235  C CG  . ARG   A 1 33  ? 33.997 -29.967 3.908   1.00 61.94  ? 29  ARG   A CG  1 
ATOM   236  C CD  . ARG   A 1 33  ? 32.526 -29.834 4.278   1.00 72.33  ? 29  ARG   A CD  1 
ATOM   237  N NE  . ARG   A 1 33  ? 32.158 -29.638 5.683   1.00 72.09  ? 29  ARG   A NE  1 
ATOM   238  C CZ  . ARG   A 1 33  ? 32.051 -30.626 6.573   1.00 74.78  ? 29  ARG   A CZ  1 
ATOM   239  N NH1 . ARG   A 1 33  ? 32.326 -31.868 6.220   1.00 64.19  ? 29  ARG   A NH1 1 
ATOM   240  N NH2 . ARG   A 1 33  ? 31.709 -30.369 7.822   1.00 77.25  ? 29  ARG   A NH2 1 
ATOM   241  N N   . LYS   A 1 34  ? 37.085 -26.841 4.639   1.00 59.57  ? 30  LYS   A N   1 
ATOM   242  C CA  . LYS   A 1 34  ? 37.549 -25.538 5.130   1.00 70.23  ? 30  LYS   A CA  1 
ATOM   243  C C   . LYS   A 1 34  ? 38.577 -24.923 4.171   1.00 66.39  ? 30  LYS   A C   1 
ATOM   244  O O   . LYS   A 1 34  ? 38.638 -23.704 3.984   1.00 66.53  ? 30  LYS   A O   1 
ATOM   245  C CB  . LYS   A 1 34  ? 38.057 -25.603 6.580   1.00 58.17  ? 30  LYS   A CB  1 
ATOM   246  C CG  . LYS   A 1 34  ? 37.013 -25.853 7.669   1.00 59.76  ? 30  LYS   A CG  1 
ATOM   247  C CD  . LYS   A 1 34  ? 35.811 -24.918 7.637   1.00 55.31  ? 30  LYS   A CD  1 
ATOM   248  C CE  . LYS   A 1 34  ? 35.032 -24.967 8.922   1.00 54.06  ? 30  LYS   A CE  1 
ATOM   249  N NZ  . LYS   A 1 34  ? 33.816 -24.129 8.838   1.00 59.04  ? 30  LYS   A NZ  1 
ATOM   250  N N   . ILE   A 1 35  ? 39.356 -25.801 3.533   1.00 62.72  ? 31  ILE   A N   1 
ATOM   251  C CA  . ILE   A 1 35  ? 40.409 -25.381 2.632   1.00 59.62  ? 31  ILE   A CA  1 
ATOM   252  C C   . ILE   A 1 35  ? 39.785 -24.990 1.292   1.00 60.09  ? 31  ILE   A C   1 
ATOM   253  O O   . ILE   A 1 35  ? 40.214 -24.030 0.644   1.00 53.43  ? 31  ILE   A O   1 
ATOM   254  C CB  . ILE   A 1 35  ? 41.454 -26.510 2.575   1.00 63.26  ? 31  ILE   A CB  1 
ATOM   255  C CG1 . ILE   A 1 35  ? 42.346 -26.463 3.817   1.00 62.35  ? 31  ILE   A CG1 1 
ATOM   256  C CG2 . ILE   A 1 35  ? 42.286 -26.437 1.325   1.00 69.58  ? 31  ILE   A CG2 1 
ATOM   257  C CD1 . ILE   A 1 35  ? 43.240 -27.669 4.001   1.00 73.77  ? 31  ILE   A CD1 1 
ATOM   258  N N   . ALA   A 1 36  ? 38.735 -25.724 0.906   1.00 54.87  ? 32  ALA   A N   1 
ATOM   259  C CA  . ALA   A 1 36  ? 38.003 -25.418 -0.310  1.00 52.39  ? 32  ALA   A CA  1 
ATOM   260  C C   . ALA   A 1 36  ? 37.286 -24.074 -0.181  1.00 55.30  ? 32  ALA   A C   1 
ATOM   261  O O   . ALA   A 1 36  ? 37.223 -23.285 -1.128  1.00 56.68  ? 32  ALA   A O   1 
ATOM   262  C CB  . ALA   A 1 36  ? 37.039 -26.525 -0.615  1.00 51.78  ? 32  ALA   A CB  1 
ATOM   263  N N   . VAL   A 1 37  ? 36.757 -23.799 1.006   1.00 54.87  ? 33  VAL   A N   1 
ATOM   264  C CA  . VAL   A 1 37  ? 36.159 -22.494 1.179   1.00 58.76  ? 33  VAL   A CA  1 
ATOM   265  C C   . VAL   A 1 37  ? 37.235 -21.420 1.006   1.00 64.64  ? 33  VAL   A C   1 
ATOM   266  O O   . VAL   A 1 37  ? 36.956 -20.374 0.427   1.00 71.30  ? 33  VAL   A O   1 
ATOM   267  C CB  . VAL   A 1 37  ? 35.354 -22.334 2.486   1.00 59.45  ? 33  VAL   A CB  1 
ATOM   268  C CG1 . VAL   A 1 37  ? 35.060 -20.856 2.748   1.00 49.96  ? 33  VAL   A CG1 1 
ATOM   269  C CG2 . VAL   A 1 37  ? 34.046 -23.133 2.457   1.00 53.08  ? 33  VAL   A CG2 1 
ATOM   270  N N   . ALA   A 1 38  ? 38.451 -21.665 1.504   1.00 59.36  ? 34  ALA   A N   1 
ATOM   271  C CA  . ALA   A 1 38  ? 39.488 -20.643 1.416   1.00 57.21  ? 34  ALA   A CA  1 
ATOM   272  C C   . ALA   A 1 38  ? 39.860 -20.449 -0.048  1.00 58.63  ? 34  ALA   A C   1 
ATOM   273  O O   . ALA   A 1 38  ? 39.934 -19.324 -0.537  1.00 69.79  ? 34  ALA   A O   1 
ATOM   274  C CB  . ALA   A 1 38  ? 40.704 -21.037 2.222   1.00 52.33  ? 34  ALA   A CB  1 
ATOM   275  N N   . ALA   A 1 39  ? 40.022 -21.563 -0.765  1.00 56.66  ? 35  ALA   A N   1 
ATOM   276  C CA  . ALA   A 1 39  ? 40.440 -21.489 -2.155  1.00 58.62  ? 35  ALA   A CA  1 
ATOM   277  C C   . ALA   A 1 39  ? 39.391 -20.778 -3.022  1.00 64.18  ? 35  ALA   A C   1 
ATOM   278  O O   . ALA   A 1 39  ? 39.751 -20.078 -3.969  1.00 71.80  ? 35  ALA   A O   1 
ATOM   279  C CB  . ALA   A 1 39  ? 40.757 -22.873 -2.654  1.00 50.39  ? 35  ALA   A CB  1 
ATOM   280  N N   . ALA   A 1 40  ? 38.105 -20.924 -2.662  1.00 62.90  ? 36  ALA   A N   1 
ATOM   281  C CA  . ALA   A 1 40  ? 36.977 -20.412 -3.428  1.00 63.47  ? 36  ALA   A CA  1 
ATOM   282  C C   . ALA   A 1 40  ? 36.929 -18.883 -3.504  1.00 62.30  ? 36  ALA   A C   1 
ATOM   283  O O   . ALA   A 1 40  ? 36.158 -18.334 -4.275  1.00 72.69  ? 36  ALA   A O   1 
ATOM   284  C CB  . ALA   A 1 40  ? 35.680 -20.948 -2.875  1.00 63.27  ? 36  ALA   A CB  1 
ATOM   285  N N   . SER   A 1 41  ? 37.726 -18.167 -2.720  1.00 66.25  ? 37  SER   A N   1 
ATOM   286  C CA  . SER   A 1 41  ? 37.602 -16.718 -2.791  1.00 68.64  ? 37  SER   A CA  1 
ATOM   287  C C   . SER   A 1 41  ? 38.517 -16.157 -3.875  1.00 63.01  ? 37  SER   A C   1 
ATOM   288  O O   . SER   A 1 41  ? 38.514 -14.956 -4.127  1.00 62.14  ? 37  SER   A O   1 
ATOM   289  C CB  . SER   A 1 41  ? 37.846 -16.067 -1.460  1.00 85.81  ? 37  SER   A CB  1 
ATOM   290  O OG  . SER   A 1 41  ? 39.233 -16.050 -1.173  1.00 80.02  ? 37  SER   A OG  1 
ATOM   291  N N   . LYS   A 1 42  ? 39.254 -17.051 -4.543  1.00 61.55  ? 38  LYS   A N   1 
ATOM   292  C CA  . LYS   A 1 42  ? 40.046 -16.680 -5.708  1.00 70.66  ? 38  LYS   A CA  1 
ATOM   293  C C   . LYS   A 1 42  ? 39.480 -17.319 -6.994  1.00 69.35  ? 38  LYS   A C   1 
ATOM   294  O O   . LYS   A 1 42  ? 40.159 -17.342 -8.022  1.00 71.01  ? 38  LYS   A O   1 
ATOM   295  C CB  . LYS   A 1 42  ? 41.532 -16.983 -5.442  1.00 78.58  ? 38  LYS   A CB  1 
ATOM   296  C CG  . LYS   A 1 42  ? 42.149 -16.342 -4.197  1.00 70.12  ? 38  LYS   A CG  1 
ATOM   297  N N   . TYR   A 1 43  ? 38.233 -17.820 -6.958  1.00 56.02  ? 39  TYR   A N   1 
ATOM   298  C CA  . TYR   A 1 43  ? 37.557 -18.263 -8.167  1.00 60.12  ? 39  TYR   A CA  1 
ATOM   299  C C   . TYR   A 1 43  ? 37.472 -17.126 -9.168  1.00 60.78  ? 39  TYR   A C   1 
ATOM   300  O O   . TYR   A 1 43  ? 36.895 -16.087 -8.871  1.00 65.38  ? 39  TYR   A O   1 
ATOM   301  C CB  . TYR   A 1 43  ? 36.106 -18.689 -7.936  1.00 53.96  ? 39  TYR   A CB  1 
ATOM   302  C CG  . TYR   A 1 43  ? 35.988 -20.151 -7.618  1.00 57.22  ? 39  TYR   A CG  1 
ATOM   303  C CD1 . TYR   A 1 43  ? 36.662 -21.090 -8.367  1.00 68.11  ? 39  TYR   A CD1 1 
ATOM   304  C CD2 . TYR   A 1 43  ? 35.233 -20.595 -6.556  1.00 67.86  ? 39  TYR   A CD2 1 
ATOM   305  C CE1 . TYR   A 1 43  ? 36.573 -22.439 -8.085  1.00 68.61  ? 39  TYR   A CE1 1 
ATOM   306  C CE2 . TYR   A 1 43  ? 35.141 -21.940 -6.248  1.00 69.67  ? 39  TYR   A CE2 1 
ATOM   307  C CZ  . TYR   A 1 43  ? 35.811 -22.863 -7.019  1.00 64.49  ? 39  TYR   A CZ  1 
ATOM   308  O OH  . TYR   A 1 43  ? 35.711 -24.186 -6.730  1.00 68.91  ? 39  TYR   A OH  1 
ATOM   309  N N   . ALA   A 1 44  ? 38.056 -17.379 -10.340 1.00 55.77  ? 40  ALA   A N   1 
ATOM   310  C CA  . ALA   A 1 44  ? 37.936 -16.565 -11.531 1.00 61.44  ? 40  ALA   A CA  1 
ATOM   311  C C   . ALA   A 1 44  ? 37.308 -17.428 -12.627 1.00 59.20  ? 40  ALA   A C   1 
ATOM   312  O O   . ALA   A 1 44  ? 37.496 -18.641 -12.646 1.00 65.60  ? 40  ALA   A O   1 
ATOM   313  C CB  . ALA   A 1 44  ? 39.300 -16.020 -11.934 1.00 48.05  ? 40  ALA   A CB  1 
ATOM   314  N N   . VAL   A 1 45  ? 36.563 -16.794 -13.542 1.00 55.93  ? 41  VAL   A N   1 
ATOM   315  C CA  . VAL   A 1 45  ? 35.942 -17.511 -14.642 1.00 58.25  ? 41  VAL   A CA  1 
ATOM   316  C C   . VAL   A 1 45  ? 36.186 -16.706 -15.906 1.00 56.50  ? 41  VAL   A C   1 
ATOM   317  O O   . VAL   A 1 45  ? 36.006 -15.486 -15.937 1.00 65.03  ? 41  VAL   A O   1 
ATOM   318  C CB  . VAL   A 1 45  ? 34.430 -17.706 -14.430 1.00 59.62  ? 41  VAL   A CB  1 
ATOM   319  C CG1 . VAL   A 1 45  ? 33.828 -18.475 -15.587 1.00 65.00  ? 41  VAL   A CG1 1 
ATOM   320  C CG2 . VAL   A 1 45  ? 34.129 -18.428 -13.124 1.00 63.14  ? 41  VAL   A CG2 1 
ATOM   321  N N   . GLU   A 1 46  ? 36.593 -17.410 -16.953 1.00 61.52  ? 42  GLU   A N   1 
ATOM   322  C CA  . GLU   A 1 46  ? 36.769 -16.784 -18.254 1.00 71.41  ? 42  GLU   A CA  1 
ATOM   323  C C   . GLU   A 1 46  ? 35.751 -17.443 -19.184 1.00 65.17  ? 42  GLU   A C   1 
ATOM   324  O O   . GLU   A 1 46  ? 35.691 -18.675 -19.264 1.00 61.10  ? 42  GLU   A O   1 
ATOM   325  C CB  . GLU   A 1 46  ? 38.252 -16.817 -18.684 1.00 61.70  ? 42  GLU   A CB  1 
ATOM   326  C CG  . GLU   A 1 46  ? 38.520 -16.241 -20.071 1.00 81.21  ? 42  GLU   A CG  1 
ATOM   327  C CD  . GLU   A 1 46  ? 39.810 -16.644 -20.779 1.00 100.84 ? 42  GLU   A CD  1 
ATOM   328  O OE1 . GLU   A 1 46  ? 40.252 -17.812 -20.630 1.00 118.25 ? 42  GLU   A OE1 1 
ATOM   329  O OE2 . GLU   A 1 46  ? 40.377 -15.790 -21.491 1.00 99.92  ? 42  GLU   A OE2 1 
ATOM   330  N N   . ILE   A 1 47  ? 34.924 -16.623 -19.847 1.00 64.79  ? 43  ILE   A N   1 
ATOM   331  C CA  . ILE   A 1 47  ? 33.914 -17.195 -20.728 1.00 64.11  ? 43  ILE   A CA  1 
ATOM   332  C C   . ILE   A 1 47  ? 34.098 -16.636 -22.132 1.00 64.15  ? 43  ILE   A C   1 
ATOM   333  O O   . ILE   A 1 47  ? 34.086 -15.416 -22.301 1.00 71.10  ? 43  ILE   A O   1 
ATOM   334  C CB  . ILE   A 1 47  ? 32.509 -16.881 -20.191 1.00 55.76  ? 43  ILE   A CB  1 
ATOM   335  C CG1 . ILE   A 1 47  ? 32.305 -17.519 -18.820 1.00 53.73  ? 43  ILE   A CG1 1 
ATOM   336  C CG2 . ILE   A 1 47  ? 31.429 -17.321 -21.173 1.00 56.14  ? 43  ILE   A CG2 1 
ATOM   337  C CD1 . ILE   A 1 47  ? 30.859 -17.473 -18.351 1.00 50.22  ? 43  ILE   A CD1 1 
ATOM   338  N N   . LYS   A 1 48  ? 34.243 -17.526 -23.127 1.00 58.94  ? 44  LYS   A N   1 
ATOM   339  C CA  . LYS   A 1 48  ? 34.043 -17.114 -24.517 1.00 64.17  ? 44  LYS   A CA  1 
ATOM   340  C C   . LYS   A 1 48  ? 32.750 -17.734 -25.070 1.00 63.32  ? 44  LYS   A C   1 
ATOM   341  O O   . LYS   A 1 48  ? 32.586 -18.961 -25.076 1.00 64.19  ? 44  LYS   A O   1 
ATOM   342  C CB  . LYS   A 1 48  ? 35.318 -17.278 -25.363 1.00 55.01  ? 44  LYS   A CB  1 
ATOM   343  N N   . GLN   A 1 49  ? 31.813 -16.870 -25.499 1.00 59.51  ? 45  GLN   A N   1 
ATOM   344  C CA  . GLN   A 1 49  ? 30.498 -17.298 -25.957 1.00 61.04  ? 45  GLN   A CA  1 
ATOM   345  C C   . GLN   A 1 49  ? 30.245 -16.851 -27.403 1.00 67.61  ? 45  GLN   A C   1 
ATOM   346  O O   . GLN   A 1 49  ? 30.257 -15.655 -27.695 1.00 65.59  ? 45  GLN   A O   1 
ATOM   347  C CB  . GLN   A 1 49  ? 29.388 -16.717 -25.068 1.00 54.20  ? 45  GLN   A CB  1 
ATOM   348  C CG  . GLN   A 1 49  ? 28.006 -16.994 -25.656 1.00 58.27  ? 45  GLN   A CG  1 
ATOM   349  C CD  . GLN   A 1 49  ? 26.831 -16.319 -24.987 1.00 65.50  ? 45  GLN   A CD  1 
ATOM   350  O OE1 . GLN   A 1 49  ? 26.972 -15.434 -24.150 1.00 71.93  ? 45  GLN   A OE1 1 
ATOM   351  N NE2 . GLN   A 1 49  ? 25.634 -16.741 -25.355 1.00 59.45  ? 45  GLN   A NE2 1 
ATOM   352  N N   . GLU   A 1 50  ? 29.964 -17.803 -28.305 1.00 64.30  ? 46  GLU   A N   1 
ATOM   353  C CA  . GLU   A 1 50  ? 29.514 -17.467 -29.653 1.00 69.19  ? 46  GLU   A CA  1 
ATOM   354  C C   . GLU   A 1 50  ? 28.248 -18.274 -29.951 1.00 63.80  ? 46  GLU   A C   1 
ATOM   355  O O   . GLU   A 1 50  ? 28.302 -19.497 -30.091 1.00 60.84  ? 46  GLU   A O   1 
ATOM   356  C CB  . GLU   A 1 50  ? 30.633 -17.612 -30.704 1.00 61.36  ? 46  GLU   A CB  1 
ATOM   357  N N   . GLY   A 1 51  ? 27.097 -17.589 -29.969 1.00 65.05  ? 47  GLY   A N   1 
ATOM   358  C CA  . GLY   A 1 51  ? 25.820 -18.249 -30.226 1.00 71.01  ? 47  GLY   A CA  1 
ATOM   359  C C   . GLY   A 1 51  ? 25.460 -19.265 -29.143 1.00 76.05  ? 47  GLY   A C   1 
ATOM   360  O O   . GLY   A 1 51  ? 25.315 -18.880 -27.988 1.00 85.61  ? 47  GLY   A O   1 
ATOM   361  N N   . ASP   A 1 52  ? 25.365 -20.550 -29.519 1.00 78.95  ? 48  ASP   A N   1 
ATOM   362  C CA  . ASP   A 1 52  ? 24.929 -21.647 -28.663 1.00 73.24  ? 48  ASP   A CA  1 
ATOM   363  C C   . ASP   A 1 52  ? 26.139 -22.234 -27.930 1.00 69.13  ? 48  ASP   A C   1 
ATOM   364  O O   . ASP   A 1 52  ? 26.012 -23.196 -27.172 1.00 74.15  ? 48  ASP   A O   1 
ATOM   365  C CB  . ASP   A 1 52  ? 24.399 -22.782 -29.555 1.00 80.75  ? 48  ASP   A CB  1 
ATOM   366  C CG  . ASP   A 1 52  ? 22.919 -23.110 -29.413 1.00 104.28 ? 48  ASP   A CG  1 
ATOM   367  O OD1 . ASP   A 1 52  ? 22.164 -22.242 -28.908 1.00 118.62 ? 48  ASP   A OD1 1 
ATOM   368  O OD2 . ASP   A 1 52  ? 22.522 -24.249 -29.802 1.00 100.95 ? 48  ASP   A OD2 1 
ATOM   369  N N   . THR   A 1 53  ? 27.329 -21.701 -28.230 1.00 61.87  ? 49  THR   A N   1 
ATOM   370  C CA  . THR   A 1 53  ? 28.601 -22.389 -28.021 1.00 66.24  ? 49  THR   A CA  1 
ATOM   371  C C   . THR   A 1 53  ? 29.458 -21.659 -26.980 1.00 65.45  ? 49  THR   A C   1 
ATOM   372  O O   . THR   A 1 53  ? 29.694 -20.448 -27.063 1.00 63.88  ? 49  THR   A O   1 
ATOM   373  C CB  . THR   A 1 53  ? 29.383 -22.550 -29.339 1.00 71.07  ? 49  THR   A CB  1 
ATOM   374  O OG1 . THR   A 1 53  ? 28.688 -23.473 -30.174 1.00 79.88  ? 49  THR   A OG1 1 
ATOM   375  C CG2 . THR   A 1 53  ? 30.780 -23.097 -29.144 1.00 66.65  ? 49  THR   A CG2 1 
ATOM   376  N N   . PHE   A 1 54  ? 29.971 -22.446 -26.029 1.00 56.28  ? 50  PHE   A N   1 
ATOM   377  C CA  . PHE   A 1 54  ? 30.528 -21.920 -24.804 1.00 56.88  ? 50  PHE   A CA  1 
ATOM   378  C C   . PHE   A 1 54  ? 31.904 -22.522 -24.539 1.00 56.79  ? 50  PHE   A C   1 
ATOM   379  O O   . PHE   A 1 54  ? 32.058 -23.759 -24.488 1.00 55.28  ? 50  PHE   A O   1 
ATOM   380  C CB  . PHE   A 1 54  ? 29.550 -22.209 -23.661 1.00 55.28  ? 50  PHE   A CB  1 
ATOM   381  C CG  . PHE   A 1 54  ? 28.455 -21.176 -23.533 1.00 58.68  ? 50  PHE   A CG  1 
ATOM   382  C CD1 . PHE   A 1 54  ? 28.683 -19.977 -22.876 1.00 54.73  ? 50  PHE   A CD1 1 
ATOM   383  C CD2 . PHE   A 1 54  ? 27.194 -21.395 -24.071 1.00 55.55  ? 50  PHE   A CD2 1 
ATOM   384  C CE1 . PHE   A 1 54  ? 27.678 -19.031 -22.738 1.00 61.02  ? 50  PHE   A CE1 1 
ATOM   385  C CE2 . PHE   A 1 54  ? 26.207 -20.422 -23.981 1.00 54.57  ? 50  PHE   A CE2 1 
ATOM   386  C CZ  . PHE   A 1 54  ? 26.442 -19.243 -23.316 1.00 57.89  ? 50  PHE   A CZ  1 
ATOM   387  N N   . TYR   A 1 55  ? 32.877 -21.612 -24.331 1.00 55.28  ? 51  TYR   A N   1 
ATOM   388  C CA  . TYR   A 1 55  ? 34.153 -21.966 -23.711 1.00 65.86  ? 51  TYR   A CA  1 
ATOM   389  C C   . TYR   A 1 55  ? 34.319 -21.320 -22.333 1.00 58.34  ? 51  TYR   A C   1 
ATOM   390  O O   . TYR   A 1 55  ? 34.256 -20.095 -22.171 1.00 70.32  ? 51  TYR   A O   1 
ATOM   391  C CB  . TYR   A 1 55  ? 35.353 -21.520 -24.550 1.00 71.14  ? 51  TYR   A CB  1 
ATOM   392  C CG  . TYR   A 1 55  ? 36.669 -21.516 -23.798 1.00 82.14  ? 51  TYR   A CG  1 
ATOM   393  C CD1 . TYR   A 1 55  ? 37.380 -22.697 -23.577 1.00 81.06  ? 51  TYR   A CD1 1 
ATOM   394  C CD2 . TYR   A 1 55  ? 37.199 -20.332 -23.285 1.00 77.79  ? 51  TYR   A CD2 1 
ATOM   395  C CE1 . TYR   A 1 55  ? 38.590 -22.691 -22.899 1.00 81.65  ? 51  TYR   A CE1 1 
ATOM   396  C CE2 . TYR   A 1 55  ? 38.403 -20.310 -22.597 1.00 70.73  ? 51  TYR   A CE2 1 
ATOM   397  C CZ  . TYR   A 1 55  ? 39.109 -21.492 -22.420 1.00 85.44  ? 51  TYR   A CZ  1 
ATOM   398  O OH  . TYR   A 1 55  ? 40.310 -21.473 -21.760 1.00 88.95  ? 51  TYR   A OH  1 
ATOM   399  N N   . ILE   A 1 56  ? 34.630 -22.159 -21.343 1.00 58.28  ? 52  ILE   A N   1 
ATOM   400  C CA  . ILE   A 1 56  ? 34.636 -21.710 -19.969 1.00 57.22  ? 52  ILE   A CA  1 
ATOM   401  C C   . ILE   A 1 56  ? 35.834 -22.310 -19.255 1.00 63.53  ? 52  ILE   A C   1 
ATOM   402  O O   . ILE   A 1 56  ? 35.931 -23.540 -19.173 1.00 65.04  ? 52  ILE   A O   1 
ATOM   403  C CB  . ILE   A 1 56  ? 33.323 -22.103 -19.276 1.00 61.41  ? 52  ILE   A CB  1 
ATOM   404  C CG1 . ILE   A 1 56  ? 32.149 -21.310 -19.860 1.00 61.93  ? 52  ILE   A CG1 1 
ATOM   405  C CG2 . ILE   A 1 56  ? 33.462 -21.857 -17.787 1.00 60.25  ? 52  ILE   A CG2 1 
ATOM   406  C CD1 . ILE   A 1 56  ? 30.802 -21.736 -19.347 1.00 65.44  ? 52  ILE   A CD1 1 
ATOM   407  N N   . LYS   A 1 57  ? 36.684 -21.404 -18.727 1.00 60.83  ? 53  LYS   A N   1 
ATOM   408  C CA  . LYS   A 1 57  ? 37.823 -21.691 -17.870 1.00 58.81  ? 53  LYS   A CA  1 
ATOM   409  C C   . LYS   A 1 57  ? 37.510 -21.190 -16.465 1.00 60.98  ? 53  LYS   A C   1 
ATOM   410  O O   . LYS   A 1 57  ? 37.357 -19.987 -16.254 1.00 67.10  ? 53  LYS   A O   1 
ATOM   411  C CB  . LYS   A 1 57  ? 39.064 -20.968 -18.399 1.00 63.56  ? 53  LYS   A CB  1 
ATOM   412  C CG  . LYS   A 1 57  ? 40.401 -21.376 -17.787 1.00 71.00  ? 53  LYS   A CG  1 
ATOM   413  C CD  . LYS   A 1 57  ? 41.588 -20.583 -18.366 1.00 79.19  ? 53  LYS   A CD  1 
ATOM   414  N N   . VAL   A 1 58  ? 37.427 -22.131 -15.516 1.00 55.67  ? 54  VAL   A N   1 
ATOM   415  C CA  . VAL   A 1 58  ? 37.274 -21.844 -14.100 1.00 55.99  ? 54  VAL   A CA  1 
ATOM   416  C C   . VAL   A 1 58  ? 38.579 -22.165 -13.395 1.00 58.37  ? 54  VAL   A C   1 
ATOM   417  O O   . VAL   A 1 58  ? 39.094 -23.276 -13.521 1.00 73.90  ? 54  VAL   A O   1 
ATOM   418  C CB  . VAL   A 1 58  ? 36.161 -22.710 -13.483 1.00 53.60  ? 54  VAL   A CB  1 
ATOM   419  C CG1 . VAL   A 1 58  ? 35.999 -22.374 -12.018 1.00 54.66  ? 54  VAL   A CG1 1 
ATOM   420  C CG2 . VAL   A 1 58  ? 34.856 -22.472 -14.209 1.00 60.96  ? 54  VAL   A CG2 1 
ATOM   421  N N   . SER   A 1 59  ? 39.066 -21.226 -12.588 1.00 59.62  ? 55  SER   A N   1 
ATOM   422  C CA  . SER   A 1 59  ? 40.308 -21.488 -11.878 1.00 64.57  ? 55  SER   A CA  1 
ATOM   423  C C   . SER   A 1 59  ? 40.341 -20.800 -10.519 1.00 68.97  ? 55  SER   A C   1 
ATOM   424  O O   . SER   A 1 59  ? 39.625 -19.827 -10.282 1.00 69.50  ? 55  SER   A O   1 
ATOM   425  C CB  . SER   A 1 59  ? 41.494 -21.092 -12.692 1.00 67.98  ? 55  SER   A CB  1 
ATOM   426  O OG  . SER   A 1 59  ? 41.355 -19.764 -13.109 1.00 65.86  ? 55  SER   A OG  1 
ATOM   427  N N   . THR   A 1 60  ? 41.172 -21.372 -9.641  1.00 59.74  ? 56  THR   A N   1 
ATOM   428  C CA  . THR   A 1 60  ? 41.623 -20.755 -8.412  1.00 60.89  ? 56  THR   A CA  1 
ATOM   429  C C   . THR   A 1 60  ? 43.136 -20.522 -8.512  1.00 58.80  ? 56  THR   A C   1 
ATOM   430  O O   . THR   A 1 60  ? 43.713 -20.554 -9.590  1.00 63.75  ? 56  THR   A O   1 
ATOM   431  C CB  . THR   A 1 60  ? 41.242 -21.651 -7.229  1.00 63.23  ? 56  THR   A CB  1 
ATOM   432  O OG1 . THR   A 1 60  ? 41.869 -22.886 -7.555  1.00 68.12  ? 56  THR   A OG1 1 
ATOM   433  C CG2 . THR   A 1 60  ? 39.751 -21.887 -7.112  1.00 75.92  ? 56  THR   A CG2 1 
ATOM   434  N N   . THR   A 1 61  ? 43.776 -20.303 -7.369  1.00 56.54  ? 57  THR   A N   1 
ATOM   435  C CA  . THR   A 1 61  ? 45.215 -20.151 -7.284  1.00 68.80  ? 57  THR   A CA  1 
ATOM   436  C C   . THR   A 1 61  ? 45.971 -21.372 -7.822  1.00 63.11  ? 57  THR   A C   1 
ATOM   437  O O   . THR   A 1 61  ? 46.918 -21.188 -8.582  1.00 61.78  ? 57  THR   A O   1 
ATOM   438  C CB  . THR   A 1 61  ? 45.616 -19.653 -5.888  1.00 77.10  ? 57  THR   A CB  1 
ATOM   439  O OG1 . THR   A 1 61  ? 44.924 -18.409 -5.759  1.00 78.91  ? 57  THR   A OG1 1 
ATOM   440  C CG2 . THR   A 1 61  ? 47.105 -19.415 -5.732  1.00 72.39  ? 57  THR   A CG2 1 
ATOM   441  N N   . VAL   A 1 62  ? 45.599 -22.600 -7.445  1.00 53.47  ? 58  VAL   A N   1 
ATOM   442  C CA  . VAL   A 1 62  ? 46.422 -23.722 -7.883  1.00 53.52  ? 58  VAL   A CA  1 
ATOM   443  C C   . VAL   A 1 62  ? 45.760 -24.629 -8.923  1.00 64.56  ? 58  VAL   A C   1 
ATOM   444  O O   . VAL   A 1 62  ? 46.401 -25.554 -9.436  1.00 65.11  ? 58  VAL   A O   1 
ATOM   445  C CB  . VAL   A 1 62  ? 47.005 -24.525 -6.713  1.00 55.85  ? 58  VAL   A CB  1 
ATOM   446  C CG1 . VAL   A 1 62  ? 47.774 -23.604 -5.770  1.00 52.70  ? 58  VAL   A CG1 1 
ATOM   447  C CG2 . VAL   A 1 62  ? 45.956 -25.363 -5.990  1.00 42.45  ? 58  VAL   A CG2 1 
ATOM   448  N N   . TYR   A 1 63  ? 44.518 -24.334 -9.319  1.00 67.26  ? 59  TYR   A N   1 
ATOM   449  C CA  . TYR   A 1 63  ? 43.823 -25.306 -10.152 1.00 58.63  ? 59  TYR   A CA  1 
ATOM   450  C C   . TYR   A 1 63  ? 43.056 -24.609 -11.269 1.00 64.23  ? 59  TYR   A C   1 
ATOM   451  O O   . TYR   A 1 63  ? 42.591 -23.482 -11.112 1.00 70.78  ? 59  TYR   A O   1 
ATOM   452  C CB  . TYR   A 1 63  ? 42.898 -26.141 -9.270  1.00 55.76  ? 59  TYR   A CB  1 
ATOM   453  C CG  . TYR   A 1 63  ? 42.618 -27.486 -9.860  1.00 62.12  ? 59  TYR   A CG  1 
ATOM   454  C CD1 . TYR   A 1 63  ? 43.496 -28.540 -9.672  1.00 57.98  ? 59  TYR   A CD1 1 
ATOM   455  C CD2 . TYR   A 1 63  ? 41.497 -27.688 -10.645 1.00 63.14  ? 59  TYR   A CD2 1 
ATOM   456  C CE1 . TYR   A 1 63  ? 43.249 -29.785 -10.232 1.00 62.36  ? 59  TYR   A CE1 1 
ATOM   457  C CE2 . TYR   A 1 63  ? 41.239 -28.921 -11.220 1.00 62.02  ? 59  TYR   A CE2 1 
ATOM   458  C CZ  . TYR   A 1 63  ? 42.122 -29.971 -11.018 1.00 68.63  ? 59  TYR   A CZ  1 
ATOM   459  O OH  . TYR   A 1 63  ? 41.866 -31.185 -11.591 1.00 80.12  ? 59  TYR   A OH  1 
ATOM   460  N N   . THR   A 1 64  ? 42.928 -25.282 -12.409 1.00 62.08  ? 60  THR   A N   1 
ATOM   461  C CA  . THR   A 1 64  ? 42.178 -24.685 -13.500 1.00 59.78  ? 60  THR   A CA  1 
ATOM   462  C C   . THR   A 1 64  ? 41.490 -25.776 -14.307 1.00 61.18  ? 60  THR   A C   1 
ATOM   463  O O   . THR   A 1 64  ? 42.072 -26.845 -14.481 1.00 64.23  ? 60  THR   A O   1 
ATOM   464  C CB  . THR   A 1 64  ? 43.070 -23.797 -14.364 1.00 57.91  ? 60  THR   A CB  1 
ATOM   465  O OG1 . THR   A 1 64  ? 42.147 -23.171 -15.247 1.00 79.24  ? 60  THR   A OG1 1 
ATOM   466  C CG2 . THR   A 1 64  ? 44.118 -24.553 -15.149 1.00 54.75  ? 60  THR   A CG2 1 
ATOM   467  N N   . THR   A 1 65  ? 40.239 -25.524 -14.726 1.00 59.39  ? 61  THR   A N   1 
ATOM   468  C CA  . THR   A 1 65  ? 39.551 -26.414 -15.660 1.00 68.74  ? 61  THR   A CA  1 
ATOM   469  C C   . THR   A 1 65  ? 38.804 -25.642 -16.736 1.00 70.39  ? 61  THR   A C   1 
ATOM   470  O O   . THR   A 1 65  ? 38.366 -24.508 -16.523 1.00 70.93  ? 61  THR   A O   1 
ATOM   471  C CB  . THR   A 1 65  ? 38.738 -27.537 -15.009 1.00 71.11  ? 61  THR   A CB  1 
ATOM   472  O OG1 . THR   A 1 65  ? 38.123 -26.938 -13.883 1.00 65.10  ? 61  THR   A OG1 1 
ATOM   473  C CG2 . THR   A 1 65  ? 39.605 -28.709 -14.564 1.00 80.63  ? 61  THR   A CG2 1 
ATOM   474  N N   . GLU   A 1 66  ? 38.743 -26.281 -17.909 1.00 66.83  ? 62  GLU   A N   1 
ATOM   475  C CA  . GLU   A 1 66  ? 38.103 -25.743 -19.092 1.00 65.34  ? 62  GLU   A CA  1 
ATOM   476  C C   . GLU   A 1 66  ? 36.944 -26.652 -19.469 1.00 68.38  ? 62  GLU   A C   1 
ATOM   477  O O   . GLU   A 1 66  ? 37.068 -27.869 -19.403 1.00 62.17  ? 62  GLU   A O   1 
ATOM   478  C CB  . GLU   A 1 66  ? 39.078 -25.767 -20.255 1.00 64.59  ? 62  GLU   A CB  1 
ATOM   479  C CG  . GLU   A 1 66  ? 40.260 -24.841 -20.056 1.00 88.87  ? 62  GLU   A CG  1 
ATOM   480  C CD  . GLU   A 1 66  ? 41.263 -24.877 -21.200 1.00 99.45  ? 62  GLU   A CD  1 
ATOM   481  O OE1 . GLU   A 1 66  ? 41.679 -25.993 -21.593 1.00 100.48 ? 62  GLU   A OE1 1 
ATOM   482  O OE2 . GLU   A 1 66  ? 41.616 -23.786 -21.704 1.00 100.32 ? 62  GLU   A OE2 1 
ATOM   483  N N   . ILE   A 1 67  ? 35.817 -26.051 -19.853 1.00 72.49  ? 63  ILE   A N   1 
ATOM   484  C CA  . ILE   A 1 67  ? 34.795 -26.828 -20.527 1.00 69.94  ? 63  ILE   A CA  1 
ATOM   485  C C   . ILE   A 1 67  ? 34.409 -26.120 -21.811 1.00 72.73  ? 63  ILE   A C   1 
ATOM   486  O O   . ILE   A 1 67  ? 34.506 -24.899 -21.934 1.00 83.27  ? 63  ILE   A O   1 
ATOM   487  C CB  . ILE   A 1 67  ? 33.567 -27.121 -19.652 1.00 70.76  ? 63  ILE   A CB  1 
ATOM   488  C CG1 . ILE   A 1 67  ? 32.940 -25.839 -19.109 1.00 75.62  ? 63  ILE   A CG1 1 
ATOM   489  C CG2 . ILE   A 1 67  ? 33.931 -28.100 -18.547 1.00 82.95  ? 63  ILE   A CG2 1 
ATOM   490  C CD1 . ILE   A 1 67  ? 31.878 -26.080 -18.073 1.00 89.24  ? 63  ILE   A CD1 1 
ATOM   491  N N   . ASN   A 1 68  ? 34.003 -26.950 -22.764 1.00 73.34  ? 64  ASN   A N   1 
ATOM   492  C CA  . ASN   A 1 68  ? 33.473 -26.519 -24.036 1.00 67.14  ? 64  ASN   A CA  1 
ATOM   493  C C   . ASN   A 1 68  ? 32.125 -27.207 -24.153 1.00 64.19  ? 64  ASN   A C   1 
ATOM   494  O O   . ASN   A 1 68  ? 32.042 -28.407 -23.907 1.00 61.13  ? 64  ASN   A O   1 
ATOM   495  C CB  . ASN   A 1 68  ? 34.440 -26.895 -25.165 1.00 71.37  ? 64  ASN   A CB  1 
ATOM   496  C CG  . ASN   A 1 68  ? 35.694 -26.043 -25.172 1.00 81.27  ? 64  ASN   A CG  1 
ATOM   497  O OD1 . ASN   A 1 68  ? 35.768 -25.022 -25.867 1.00 71.77  ? 64  ASN   A OD1 1 
ATOM   498  N ND2 . ASN   A 1 68  ? 36.668 -26.433 -24.364 1.00 75.88  ? 64  ASN   A ND2 1 
ATOM   499  N N   . PHE   A 1 69  ? 31.065 -26.440 -24.418 1.00 61.79  ? 65  PHE   A N   1 
ATOM   500  C CA  . PHE   A 1 69  ? 29.801 -27.105 -24.690 1.00 58.41  ? 65  PHE   A CA  1 
ATOM   501  C C   . PHE   A 1 69  ? 28.997 -26.276 -25.677 1.00 58.77  ? 65  PHE   A C   1 
ATOM   502  O O   . PHE   A 1 69  ? 29.304 -25.112 -25.942 1.00 62.25  ? 65  PHE   A O   1 
ATOM   503  C CB  . PHE   A 1 69  ? 29.024 -27.431 -23.411 1.00 62.87  ? 65  PHE   A CB  1 
ATOM   504  C CG  . PHE   A 1 69  ? 28.587 -26.206 -22.642 1.00 75.42  ? 65  PHE   A CG  1 
ATOM   505  C CD1 . PHE   A 1 69  ? 27.398 -25.554 -22.953 1.00 62.96  ? 65  PHE   A CD1 1 
ATOM   506  C CD2 . PHE   A 1 69  ? 29.372 -25.690 -21.619 1.00 63.30  ? 65  PHE   A CD2 1 
ATOM   507  C CE1 . PHE   A 1 69  ? 27.003 -24.417 -22.264 1.00 64.02  ? 65  PHE   A CE1 1 
ATOM   508  C CE2 . PHE   A 1 69  ? 28.978 -24.547 -20.936 1.00 69.25  ? 65  PHE   A CE2 1 
ATOM   509  C CZ  . PHE   A 1 69  ? 27.798 -23.906 -21.266 1.00 68.70  ? 65  PHE   A CZ  1 
ATOM   510  N N   . LYS   A 1 70  ? 28.019 -26.946 -26.273 1.00 60.04  ? 66  LYS   A N   1 
ATOM   511  C CA  . LYS   A 1 70  ? 26.973 -26.296 -27.027 1.00 62.50  ? 66  LYS   A CA  1 
ATOM   512  C C   . LYS   A 1 70  ? 25.698 -26.607 -26.270 1.00 65.77  ? 66  LYS   A C   1 
ATOM   513  O O   . LYS   A 1 70  ? 25.490 -27.765 -25.840 1.00 55.70  ? 66  LYS   A O   1 
ATOM   514  C CB  . LYS   A 1 70  ? 26.892 -26.930 -28.418 1.00 74.23  ? 66  LYS   A CB  1 
ATOM   515  C CG  . LYS   A 1 70  ? 26.402 -26.041 -29.555 1.00 80.76  ? 66  LYS   A CG  1 
ATOM   516  C CD  . LYS   A 1 70  ? 26.533 -26.714 -30.917 1.00 86.77  ? 66  LYS   A CD  1 
ATOM   517  C CE  . LYS   A 1 70  ? 25.651 -26.109 -31.989 1.00 84.20  ? 66  LYS   A CE  1 
ATOM   518  N NZ  . LYS   A 1 70  ? 24.256 -25.960 -31.514 1.00 91.00  ? 66  LYS   A NZ  1 
ATOM   519  N N   . VAL   A 1 71  ? 24.879 -25.553 -26.101 1.00 58.81  ? 67  VAL   A N   1 
ATOM   520  C CA  . VAL   A 1 71  ? 23.577 -25.733 -25.472 1.00 54.92  ? 67  VAL   A CA  1 
ATOM   521  C C   . VAL   A 1 71  ? 22.845 -26.817 -26.257 1.00 59.84  ? 67  VAL   A C   1 
ATOM   522  O O   . VAL   A 1 71  ? 22.903 -26.839 -27.481 1.00 64.28  ? 67  VAL   A O   1 
ATOM   523  C CB  . VAL   A 1 71  ? 22.774 -24.425 -25.473 1.00 64.21  ? 67  VAL   A CB  1 
ATOM   524  C CG1 . VAL   A 1 71  ? 21.313 -24.650 -25.041 1.00 47.97  ? 67  VAL   A CG1 1 
ATOM   525  C CG2 . VAL   A 1 71  ? 23.498 -23.313 -24.689 1.00 55.32  ? 67  VAL   A CG2 1 
ATOM   526  N N   . GLY   A 1 72  ? 22.157 -27.723 -25.572 1.00 55.55  ? 68  GLY   A N   1 
ATOM   527  C CA  . GLY   A 1 72  ? 21.441 -28.726 -26.339 1.00 56.21  ? 68  GLY   A CA  1 
ATOM   528  C C   . GLY   A 1 72  ? 22.269 -29.998 -26.508 1.00 64.75  ? 68  GLY   A C   1 
ATOM   529  O O   . GLY   A 1 72  ? 21.699 -31.077 -26.638 1.00 65.23  ? 68  GLY   A O   1 
ATOM   530  N N   . GLU   A 1 73  ? 23.608 -29.890 -26.503 1.00 71.64  ? 69  GLU   A N   1 
ATOM   531  C CA  . GLU   A 1 73  ? 24.397 -31.085 -26.792 1.00 72.21  ? 69  GLU   A CA  1 
ATOM   532  C C   . GLU   A 1 73  ? 25.064 -31.639 -25.540 1.00 74.88  ? 69  GLU   A C   1 
ATOM   533  O O   . GLU   A 1 73  ? 25.666 -30.893 -24.763 1.00 88.75  ? 69  GLU   A O   1 
ATOM   534  C CB  . GLU   A 1 73  ? 25.420 -30.868 -27.897 1.00 76.08  ? 69  GLU   A CB  1 
ATOM   535  C CG  . GLU   A 1 73  ? 24.808 -30.708 -29.276 1.00 96.08  ? 69  GLU   A CG  1 
ATOM   536  C CD  . GLU   A 1 73  ? 25.861 -30.433 -30.336 1.00 110.41 ? 69  GLU   A CD  1 
ATOM   537  O OE1 . GLU   A 1 73  ? 27.071 -30.731 -30.063 1.00 104.06 ? 69  GLU   A OE1 1 
ATOM   538  O OE2 . GLU   A 1 73  ? 25.480 -29.895 -31.411 1.00 102.65 ? 69  GLU   A OE2 1 
ATOM   539  N N   . GLU   A 1 74  ? 24.937 -32.963 -25.384 1.00 68.84  ? 70  GLU   A N   1 
ATOM   540  C CA  . GLU   A 1 74  ? 25.508 -33.708 -24.278 1.00 68.53  ? 70  GLU   A CA  1 
ATOM   541  C C   . GLU   A 1 74  ? 27.027 -33.605 -24.335 1.00 66.80  ? 70  GLU   A C   1 
ATOM   542  O O   . GLU   A 1 74  ? 27.608 -33.576 -25.412 1.00 69.13  ? 70  GLU   A O   1 
ATOM   543  C CB  . GLU   A 1 74  ? 24.992 -35.145 -24.315 1.00 77.12  ? 70  GLU   A CB  1 
ATOM   544  C CG  . GLU   A 1 74  ? 25.730 -36.080 -23.378 1.00 94.47  ? 70  GLU   A CG  1 
ATOM   545  C CD  . GLU   A 1 74  ? 24.836 -36.996 -22.559 1.00 109.12 ? 70  GLU   A CD  1 
ATOM   546  O OE1 . GLU   A 1 74  ? 25.325 -38.066 -22.124 1.00 110.83 ? 70  GLU   A OE1 1 
ATOM   547  O OE2 . GLU   A 1 74  ? 23.660 -36.621 -22.323 1.00 108.52 ? 70  GLU   A OE2 1 
ATOM   548  N N   . PHE   A 1 75  ? 27.655 -33.484 -23.162 1.00 68.12  ? 71  PHE   A N   1 
ATOM   549  C CA  . PHE   A 1 75  ? 29.102 -33.368 -23.044 1.00 70.47  ? 71  PHE   A CA  1 
ATOM   550  C C   . PHE   A 1 75  ? 29.499 -33.958 -21.694 1.00 71.35  ? 71  PHE   A C   1 
ATOM   551  O O   . PHE   A 1 75  ? 28.644 -34.086 -20.820 1.00 73.13  ? 71  PHE   A O   1 
ATOM   552  C CB  . PHE   A 1 75  ? 29.552 -31.913 -23.240 1.00 65.00  ? 71  PHE   A CB  1 
ATOM   553  C CG  . PHE   A 1 75  ? 29.239 -30.997 -22.085 1.00 67.13  ? 71  PHE   A CG  1 
ATOM   554  C CD1 . PHE   A 1 75  ? 27.977 -30.410 -21.960 1.00 64.42  ? 71  PHE   A CD1 1 
ATOM   555  C CD2 . PHE   A 1 75  ? 30.195 -30.733 -21.109 1.00 60.36  ? 71  PHE   A CD2 1 
ATOM   556  C CE1 . PHE   A 1 75  ? 27.668 -29.574 -20.891 1.00 61.02  ? 71  PHE   A CE1 1 
ATOM   557  C CE2 . PHE   A 1 75  ? 29.894 -29.885 -20.046 1.00 68.86  ? 71  PHE   A CE2 1 
ATOM   558  C CZ  . PHE   A 1 75  ? 28.632 -29.307 -19.937 1.00 66.32  ? 71  PHE   A CZ  1 
ATOM   559  N N   . GLU   A 1 76  ? 30.770 -34.357 -21.547 1.00 76.57  ? 72  GLU   A N   1 
ATOM   560  C CA  . GLU   A 1 76  ? 31.248 -34.929 -20.291 1.00 81.44  ? 72  GLU   A CA  1 
ATOM   561  C C   . GLU   A 1 76  ? 32.034 -33.875 -19.499 1.00 79.32  ? 72  GLU   A C   1 
ATOM   562  O O   . GLU   A 1 76  ? 32.748 -33.042 -20.066 1.00 74.29  ? 72  GLU   A O   1 
ATOM   563  C CB  . GLU   A 1 76  ? 31.993 -36.254 -20.515 1.00 66.62  ? 72  GLU   A CB  1 
ATOM   564  N N   . GLU   A 1 77  ? 31.855 -33.898 -18.174 1.00 76.16  ? 73  GLU   A N   1 
ATOM   565  C CA  . GLU   A 1 77  ? 32.553 -32.993 -17.274 1.00 81.51  ? 73  GLU   A CA  1 
ATOM   566  C C   . GLU   A 1 77  ? 32.682 -33.690 -15.917 1.00 82.42  ? 73  GLU   A C   1 
ATOM   567  O O   . GLU   A 1 77  ? 32.355 -34.865 -15.790 1.00 77.37  ? 73  GLU   A O   1 
ATOM   568  C CB  . GLU   A 1 77  ? 31.858 -31.619 -17.232 1.00 75.95  ? 73  GLU   A CB  1 
ATOM   569  C CG  . GLU   A 1 77  ? 30.494 -31.596 -16.525 1.00 77.28  ? 73  GLU   A CG  1 
ATOM   570  C CD  . GLU   A 1 77  ? 29.843 -30.243 -16.223 1.00 78.61  ? 73  GLU   A CD  1 
ATOM   571  O OE1 . GLU   A 1 77  ? 30.558 -29.218 -16.204 1.00 81.92  ? 73  GLU   A OE1 1 
ATOM   572  O OE2 . GLU   A 1 77  ? 28.607 -30.202 -15.990 1.00 73.65  ? 73  GLU   A OE2 1 
ATOM   573  N N   . GLN   A 1 78  ? 33.150 -32.957 -14.903 1.00 87.28  ? 74  GLN   A N   1 
ATOM   574  C CA  . GLN   A 1 78  ? 33.218 -33.472 -13.544 1.00 89.41  ? 74  GLN   A CA  1 
ATOM   575  C C   . GLN   A 1 78  ? 32.150 -32.772 -12.697 1.00 88.59  ? 74  GLN   A C   1 
ATOM   576  O O   . GLN   A 1 78  ? 31.709 -31.678 -13.055 1.00 86.94  ? 74  GLN   A O   1 
ATOM   577  C CB  . GLN   A 1 78  ? 34.649 -33.327 -13.006 1.00 93.78  ? 74  GLN   A CB  1 
ATOM   578  C CG  . GLN   A 1 78  ? 35.428 -32.142 -13.579 1.00 90.72  ? 74  GLN   A CG  1 
ATOM   579  N N   . THR   A 1 79  ? 31.706 -33.419 -11.604 1.00 78.89  ? 75  THR   A N   1 
ATOM   580  C CA  . THR   A 1 79  ? 30.889 -32.751 -10.601 1.00 76.59  ? 75  THR   A CA  1 
ATOM   581  C C   . THR   A 1 79  ? 31.810 -31.900 -9.737  1.00 88.37  ? 75  THR   A C   1 
ATOM   582  O O   . THR   A 1 79  ? 33.028 -31.987 -9.892  1.00 89.65  ? 75  THR   A O   1 
ATOM   583  C CB  . THR   A 1 79  ? 30.212 -33.727 -9.632  1.00 80.79  ? 75  THR   A CB  1 
ATOM   584  O OG1 . THR   A 1 79  ? 31.229 -34.449 -8.934  1.00 80.77  ? 75  THR   A OG1 1 
ATOM   585  C CG2 . THR   A 1 79  ? 29.219 -34.657 -10.293 1.00 83.85  ? 75  THR   A CG2 1 
ATOM   586  N N   . VAL   A 1 80  ? 31.232 -31.131 -8.801  1.00 80.85  ? 76  VAL   A N   1 
ATOM   587  C CA  . VAL   A 1 80  ? 32.036 -30.260 -7.953  1.00 87.43  ? 76  VAL   A CA  1 
ATOM   588  C C   . VAL   A 1 80  ? 33.058 -31.074 -7.148  1.00 92.42  ? 76  VAL   A C   1 
ATOM   589  O O   . VAL   A 1 80  ? 34.169 -30.599 -6.888  1.00 84.95  ? 76  VAL   A O   1 
ATOM   590  C CB  . VAL   A 1 80  ? 31.184 -29.353 -7.041  1.00 85.00  ? 76  VAL   A CB  1 
ATOM   591  C CG1 . VAL   A 1 80  ? 32.072 -28.379 -6.279  1.00 77.10  ? 76  VAL   A CG1 1 
ATOM   592  C CG2 . VAL   A 1 80  ? 30.092 -28.605 -7.803  1.00 73.22  ? 76  VAL   A CG2 1 
ATOM   593  N N   . ASP   A 1 81  ? 32.670 -32.297 -6.758  1.00 90.93  ? 77  ASP   A N   1 
ATOM   594  C CA  . ASP   A 1 81  ? 33.528 -33.180 -5.983  1.00 102.18 ? 77  ASP   A CA  1 
ATOM   595  C C   . ASP   A 1 81  ? 34.325 -34.081 -6.933  1.00 106.53 ? 77  ASP   A C   1 
ATOM   596  O O   . ASP   A 1 81  ? 34.932 -35.069 -6.518  1.00 110.21 ? 77  ASP   A O   1 
ATOM   597  C CB  . ASP   A 1 81  ? 32.740 -33.919 -4.891  1.00 102.66 ? 77  ASP   A CB  1 
ATOM   598  C CG  . ASP   A 1 81  ? 31.925 -35.096 -5.407  1.00 111.86 ? 77  ASP   A CG  1 
ATOM   599  O OD1 . ASP   A 1 81  ? 31.124 -34.891 -6.342  1.00 112.03 ? 77  ASP   A OD1 1 
ATOM   600  O OD2 . ASP   A 1 81  ? 32.117 -36.218 -4.890  1.00 110.25 ? 77  ASP   A OD2 1 
ATOM   601  N N   . GLY   A 1 82  ? 34.305 -33.740 -8.225  1.00 93.77  ? 78  GLY   A N   1 
ATOM   602  C CA  . GLY   A 1 82  ? 35.306 -34.240 -9.151  1.00 88.34  ? 78  GLY   A CA  1 
ATOM   603  C C   . GLY   A 1 82  ? 35.041 -35.660 -9.648  1.00 91.11  ? 78  GLY   A C   1 
ATOM   604  O O   . GLY   A 1 82  ? 35.974 -36.345 -10.047 1.00 85.04  ? 78  GLY   A O   1 
ATOM   605  N N   . ARG   A 1 83  ? 33.769 -36.074 -9.667  1.00 96.05  ? 79  ARG   A N   1 
ATOM   606  C CA  . ARG   A 1 83  ? 33.357 -37.341 -10.262 1.00 93.65  ? 79  ARG   A CA  1 
ATOM   607  C C   . ARG   A 1 83  ? 32.916 -37.110 -11.716 1.00 99.87  ? 79  ARG   A C   1 
ATOM   608  O O   . ARG   A 1 83  ? 32.183 -36.155 -11.988 1.00 100.88 ? 79  ARG   A O   1 
ATOM   609  C CB  . ARG   A 1 83  ? 32.249 -37.953 -9.395  1.00 92.61  ? 79  ARG   A CB  1 
ATOM   610  C CG  . ARG   A 1 83  ? 32.596 -38.110 -7.918  0.70 86.67  ? 79  ARG   A CG  1 
ATOM   611  C CD  . ARG   A 1 83  ? 31.614 -38.970 -7.141  0.70 85.35  ? 79  ARG   A CD  1 
ATOM   612  N NE  . ARG   A 1 83  ? 31.358 -40.234 -7.834  0.70 90.86  ? 79  ARG   A NE  1 
ATOM   613  C CZ  . ARG   A 1 83  ? 30.389 -41.103 -7.545  0.70 85.31  ? 79  ARG   A CZ  1 
ATOM   614  N NH1 . ARG   A 1 83  ? 29.547 -40.875 -6.548  0.70 74.15  ? 79  ARG   A NH1 1 
ATOM   615  N NH2 . ARG   A 1 83  ? 30.277 -42.208 -8.262  0.70 81.66  ? 79  ARG   A NH2 1 
ATOM   616  N N   . PRO   A 1 84  ? 33.360 -37.918 -12.719 1.00 104.14 ? 80  PRO   A N   1 
ATOM   617  C CA  . PRO   A 1 84  ? 32.938 -37.714 -14.109 1.00 101.18 ? 80  PRO   A CA  1 
ATOM   618  C C   . PRO   A 1 84  ? 31.452 -37.994 -14.339 1.00 96.56  ? 80  PRO   A C   1 
ATOM   619  O O   . PRO   A 1 84  ? 30.914 -38.999 -13.874 1.00 103.67 ? 80  PRO   A O   1 
ATOM   620  C CB  . PRO   A 1 84  ? 33.886 -38.599 -14.947 1.00 93.89  ? 80  PRO   A CB  1 
ATOM   621  C CG  . PRO   A 1 84  ? 35.024 -38.943 -13.993 1.00 92.25  ? 80  PRO   A CG  1 
ATOM   622  C CD  . PRO   A 1 84  ? 34.364 -38.992 -12.623 1.00 103.03 ? 80  PRO   A CD  1 
ATOM   623  N N   . CYS   A 1 85  ? 30.806 -37.064 -15.053 1.00 85.83  ? 81  CYS   A N   1 
ATOM   624  C CA  . CYS   A 1 85  ? 29.374 -37.087 -15.298 1.00 81.72  ? 81  CYS   A CA  1 
ATOM   625  C C   . CYS   A 1 85  ? 29.084 -36.618 -16.725 1.00 83.96  ? 81  CYS   A C   1 
ATOM   626  O O   . CYS   A 1 85  ? 29.906 -35.926 -17.340 1.00 88.13  ? 81  CYS   A O   1 
ATOM   627  C CB  . CYS   A 1 85  ? 28.653 -36.209 -14.279 1.00 89.04  ? 81  CYS   A CB  1 
ATOM   628  S SG  . CYS   A 1 85  ? 29.080 -34.446 -14.389 1.00 82.81  ? 81  CYS   A SG  1 
ATOM   629  N N   . LYS   A 1 86  ? 27.920 -37.033 -17.257 1.00 82.64  ? 82  LYS   A N   1 
ATOM   630  C CA  . LYS   A 1 86  ? 27.406 -36.508 -18.519 1.00 82.60  ? 82  LYS   A CA  1 
ATOM   631  C C   . LYS   A 1 86  ? 26.492 -35.316 -18.214 1.00 71.98  ? 82  LYS   A C   1 
ATOM   632  O O   . LYS   A 1 86  ? 25.705 -35.366 -17.268 1.00 74.07  ? 82  LYS   A O   1 
ATOM   633  C CB  . LYS   A 1 86  ? 26.723 -37.616 -19.336 1.00 77.70  ? 82  LYS   A CB  1 
ATOM   634  N N   . SER   A 1 87  ? 26.606 -34.252 -19.017 1.00 67.82  ? 83  SER   A N   1 
ATOM   635  C CA  . SER   A 1 87  ? 25.976 -32.968 -18.724 1.00 66.38  ? 83  SER   A CA  1 
ATOM   636  C C   . SER   A 1 87  ? 25.227 -32.412 -19.927 1.00 64.05  ? 83  SER   A C   1 
ATOM   637  O O   . SER   A 1 87  ? 25.666 -32.549 -21.057 1.00 70.62  ? 83  SER   A O   1 
ATOM   638  C CB  . SER   A 1 87  ? 26.979 -31.972 -18.234 1.00 58.62  ? 83  SER   A CB  1 
ATOM   639  O OG  . SER   A 1 87  ? 27.024 -31.997 -16.813 1.00 58.82  ? 83  SER   A OG  1 
ATOM   640  N N   . LEU   A 1 88  ? 24.097 -31.752 -19.671 1.00 68.99  ? 84  LEU   A N   1 
ATOM   641  C CA  . LEU   A 1 88  ? 23.281 -31.220 -20.751 1.00 62.61  ? 84  LEU   A CA  1 
ATOM   642  C C   . LEU   A 1 88  ? 22.701 -29.875 -20.338 1.00 59.41  ? 84  LEU   A C   1 
ATOM   643  O O   . LEU   A 1 88  ? 21.987 -29.781 -19.341 1.00 60.12  ? 84  LEU   A O   1 
ATOM   644  C CB  . LEU   A 1 88  ? 22.152 -32.215 -21.020 1.00 63.57  ? 84  LEU   A CB  1 
ATOM   645  C CG  . LEU   A 1 88  ? 21.227 -31.831 -22.167 1.00 76.47  ? 84  LEU   A CG  1 
ATOM   646  C CD1 . LEU   A 1 88  ? 21.999 -31.793 -23.491 1.00 66.68  ? 84  LEU   A CD1 1 
ATOM   647  C CD2 . LEU   A 1 88  ? 20.039 -32.787 -22.214 1.00 65.67  ? 84  LEU   A CD2 1 
ATOM   648  N N   . VAL   A 1 89  ? 22.975 -28.848 -21.142 1.00 56.50  ? 85  VAL   A N   1 
ATOM   649  C CA  . VAL   A 1 89  ? 22.656 -27.489 -20.753 1.00 48.98  ? 85  VAL   A CA  1 
ATOM   650  C C   . VAL   A 1 89  ? 21.449 -27.029 -21.565 1.00 55.52  ? 85  VAL   A C   1 
ATOM   651  O O   . VAL   A 1 89  ? 21.421 -27.267 -22.771 1.00 61.05  ? 85  VAL   A O   1 
ATOM   652  C CB  . VAL   A 1 89  ? 23.871 -26.579 -21.020 1.00 50.25  ? 85  VAL   A CB  1 
ATOM   653  C CG1 . VAL   A 1 89  ? 23.515 -25.102 -20.903 1.00 46.23  ? 85  VAL   A CG1 1 
ATOM   654  C CG2 . VAL   A 1 89  ? 25.040 -26.927 -20.114 1.00 50.73  ? 85  VAL   A CG2 1 
ATOM   655  N N   . LYS   A 1 90  ? 20.490 -26.327 -20.933 1.00 50.22  ? 86  LYS   A N   1 
ATOM   656  C CA  . LYS   A 1 90  ? 19.404 -25.757 -21.715 1.00 52.64  ? 86  LYS   A CA  1 
ATOM   657  C C   . LYS   A 1 90  ? 19.200 -24.300 -21.326 1.00 57.29  ? 86  LYS   A C   1 
ATOM   658  O O   . LYS   A 1 90  ? 19.554 -23.914 -20.221 1.00 61.33  ? 86  LYS   A O   1 
ATOM   659  C CB  . LYS   A 1 90  ? 18.136 -26.597 -21.573 1.00 55.57  ? 86  LYS   A CB  1 
ATOM   660  C CG  . LYS   A 1 90  ? 18.275 -28.011 -22.134 1.00 54.88  ? 86  LYS   A CG  1 
ATOM   661  C CD  . LYS   A 1 90  ? 17.110 -28.907 -21.848 1.00 61.26  ? 86  LYS   A CD  1 
ATOM   662  C CE  . LYS   A 1 90  ? 17.348 -30.326 -22.304 1.00 61.03  ? 86  LYS   A CE  1 
ATOM   663  N NZ  . LYS   A 1 90  ? 16.057 -31.036 -22.459 1.00 72.98  ? 86  LYS   A NZ  1 
ATOM   664  N N   . TRP   A 1 91  ? 18.686 -23.478 -22.251 1.00 50.47  ? 87  TRP   A N   1 
ATOM   665  C CA  . TRP   A 1 91  ? 18.338 -22.135 -21.820 1.00 55.02  ? 87  TRP   A CA  1 
ATOM   666  C C   . TRP   A 1 91  ? 17.076 -22.194 -20.971 1.00 58.37  ? 87  TRP   A C   1 
ATOM   667  O O   . TRP   A 1 91  ? 16.260 -23.108 -21.124 1.00 64.81  ? 87  TRP   A O   1 
ATOM   668  C CB  . TRP   A 1 91  ? 18.097 -21.211 -23.008 1.00 55.29  ? 87  TRP   A CB  1 
ATOM   669  C CG  . TRP   A 1 91  ? 19.247 -21.094 -23.956 1.00 62.12  ? 87  TRP   A CG  1 
ATOM   670  C CD1 . TRP   A 1 91  ? 19.398 -21.730 -25.149 1.00 55.38  ? 87  TRP   A CD1 1 
ATOM   671  C CD2 . TRP   A 1 91  ? 20.384 -20.231 -23.813 1.00 60.13  ? 87  TRP   A CD2 1 
ATOM   672  N NE1 . TRP   A 1 91  ? 20.553 -21.329 -25.754 1.00 61.77  ? 87  TRP   A NE1 1 
ATOM   673  C CE2 . TRP   A 1 91  ? 21.175 -20.402 -24.963 1.00 64.72  ? 87  TRP   A CE2 1 
ATOM   674  C CE3 . TRP   A 1 91  ? 20.799 -19.328 -22.835 1.00 60.56  ? 87  TRP   A CE3 1 
ATOM   675  C CZ2 . TRP   A 1 91  ? 22.371 -19.716 -25.154 1.00 65.08  ? 87  TRP   A CZ2 1 
ATOM   676  C CZ3 . TRP   A 1 91  ? 21.990 -18.665 -23.020 1.00 69.61  ? 87  TRP   A CZ3 1 
ATOM   677  C CH2 . TRP   A 1 91  ? 22.765 -18.853 -24.163 1.00 57.53  ? 87  TRP   A CH2 1 
ATOM   678  N N   . GLU   A 1 92  ? 16.915 -21.165 -20.136 1.00 65.15  ? 88  GLU   A N   1 
ATOM   679  C CA  . GLU   A 1 92  ? 15.805 -21.036 -19.215 1.00 64.91  ? 88  GLU   A CA  1 
ATOM   680  C C   . GLU   A 1 92  ? 15.133 -19.689 -19.474 1.00 64.34  ? 88  GLU   A C   1 
ATOM   681  O O   . GLU   A 1 92  ? 13.928 -19.536 -19.289 1.00 71.08  ? 88  GLU   A O   1 
ATOM   682  C CB  . GLU   A 1 92  ? 16.336 -21.202 -17.793 1.00 70.78  ? 88  GLU   A CB  1 
ATOM   683  C CG  . GLU   A 1 92  ? 15.272 -21.496 -16.757 1.00 90.08  ? 88  GLU   A CG  1 
ATOM   684  C CD  . GLU   A 1 92  ? 15.709 -21.171 -15.337 1.00 105.51 ? 88  GLU   A CD  1 
ATOM   685  O OE1 . GLU   A 1 92  ? 15.846 -19.967 -15.022 1.00 95.16  ? 88  GLU   A OE1 1 
ATOM   686  O OE2 . GLU   A 1 92  ? 15.928 -22.121 -14.550 1.00 116.45 ? 88  GLU   A OE2 1 
ATOM   687  N N   . SER   A 1 93  ? 15.927 -18.717 -19.915 1.00 62.20  ? 89  SER   A N   1 
ATOM   688  C CA  . SER   A 1 93  ? 15.422 -17.468 -20.472 1.00 61.24  ? 89  SER   A CA  1 
ATOM   689  C C   . SER   A 1 93  ? 16.592 -16.822 -21.192 1.00 70.60  ? 89  SER   A C   1 
ATOM   690  O O   . SER   A 1 93  ? 17.594 -17.496 -21.451 1.00 67.84  ? 89  SER   A O   1 
ATOM   691  C CB  . SER   A 1 93  ? 14.969 -16.532 -19.403 1.00 64.48  ? 89  SER   A CB  1 
ATOM   692  O OG  . SER   A 1 93  ? 16.083 -16.210 -18.572 1.00 73.85  ? 89  SER   A OG  1 
ATOM   693  N N   . GLU   A 1 94  ? 16.500 -15.503 -21.410 1.00 68.41  ? 90  GLU   A N   1 
ATOM   694  C CA  . GLU   A 1 94  ? 17.449 -14.883 -22.313 1.00 66.43  ? 90  GLU   A CA  1 
ATOM   695  C C   . GLU   A 1 94  ? 18.863 -15.066 -21.767 1.00 71.41  ? 90  GLU   A C   1 
ATOM   696  O O   . GLU   A 1 94  ? 19.823 -15.280 -22.526 1.00 67.20  ? 90  GLU   A O   1 
ATOM   697  C CB  . GLU   A 1 94  ? 17.110 -13.413 -22.550 1.00 81.63  ? 90  GLU   A CB  1 
ATOM   698  C CG  . GLU   A 1 94  ? 18.197 -12.670 -23.328 1.00 79.25  ? 90  GLU   A CG  1 
ATOM   699  C CD  . GLU   A 1 94  ? 17.807 -11.254 -23.710 1.00 91.62  ? 90  GLU   A CD  1 
ATOM   700  O OE1 . GLU   A 1 94  ? 16.787 -10.764 -23.182 1.00 102.39 ? 90  GLU   A OE1 1 
ATOM   701  O OE2 . GLU   A 1 94  ? 18.501 -10.656 -24.558 1.00 94.59  ? 90  GLU   A OE2 1 
ATOM   702  N N   . ASN   A 1 95  ? 18.991 -14.971 -20.440 1.00 71.26  ? 91  ASN   A N   1 
ATOM   703  C CA  . ASN   A 1 95  ? 20.343 -14.920 -19.909 1.00 77.10  ? 91  ASN   A CA  1 
ATOM   704  C C   . ASN   A 1 95  ? 20.502 -15.903 -18.755 1.00 65.66  ? 91  ASN   A C   1 
ATOM   705  O O   . ASN   A 1 95  ? 21.283 -15.663 -17.847 1.00 66.99  ? 91  ASN   A O   1 
ATOM   706  C CB  . ASN   A 1 95  ? 20.814 -13.482 -19.643 1.00 87.22  ? 91  ASN   A CB  1 
ATOM   707  C CG  . ASN   A 1 95  ? 21.198 -12.695 -20.889 1.00 92.09  ? 91  ASN   A CG  1 
ATOM   708  O OD1 . ASN   A 1 95  ? 21.955 -13.150 -21.760 1.00 82.71  ? 91  ASN   A OD1 1 
ATOM   709  N ND2 . ASN   A 1 95  ? 20.698 -11.473 -20.959 1.00 90.33  ? 91  ASN   A ND2 1 
ATOM   710  N N   . LYS   A 1 96  ? 19.762 -17.016 -18.808 1.00 60.17  ? 92  LYS   A N   1 
ATOM   711  C CA  . LYS   A 1 96  ? 19.999 -18.080 -17.856 1.00 57.74  ? 92  LYS   A CA  1 
ATOM   712  C C   . LYS   A 1 96  ? 20.065 -19.425 -18.569 1.00 50.16  ? 92  LYS   A C   1 
ATOM   713  O O   . LYS   A 1 96  ? 19.191 -19.773 -19.350 1.00 55.83  ? 92  LYS   A O   1 
ATOM   714  C CB  . LYS   A 1 96  ? 18.963 -18.030 -16.726 1.00 57.75  ? 92  LYS   A CB  1 
ATOM   715  C CG  . LYS   A 1 96  ? 19.257 -18.969 -15.561 1.00 65.28  ? 92  LYS   A CG  1 
ATOM   716  C CD  . LYS   A 1 96  ? 18.538 -18.658 -14.261 1.00 70.77  ? 92  LYS   A CD  1 
ATOM   717  C CE  . LYS   A 1 96  ? 18.780 -19.743 -13.228 1.00 82.32  ? 92  LYS   A CE  1 
ATOM   718  N NZ  . LYS   A 1 96  ? 18.288 -19.390 -11.873 1.00 82.70  ? 92  LYS   A NZ  1 
ATOM   719  N N   . MET   A 1 97  ? 21.099 -20.195 -18.263 1.00 52.05  ? 93  MET   A N   1 
ATOM   720  C CA  . MET   A 1 97  ? 21.121 -21.589 -18.671 1.00 57.67  ? 93  MET   A CA  1 
ATOM   721  C C   . MET   A 1 97  ? 21.192 -22.499 -17.442 1.00 59.63  ? 93  MET   A C   1 
ATOM   722  O O   . MET   A 1 97  ? 21.664 -22.102 -16.370 1.00 60.26  ? 93  MET   A O   1 
ATOM   723  C CB  . MET   A 1 97  ? 22.304 -21.859 -19.594 1.00 57.13  ? 93  MET   A CB  1 
ATOM   724  C CG  . MET   A 1 97  ? 23.637 -21.706 -18.892 1.00 69.56  ? 93  MET   A CG  1 
ATOM   725  S SD  . MET   A 1 97  ? 25.006 -21.414 -20.049 1.00 73.68  ? 93  MET   A SD  1 
ATOM   726  C CE  . MET   A 1 97  ? 24.079 -20.697 -21.399 1.00 64.20  ? 93  MET   A CE  1 
ATOM   727  N N   . VAL   A 1 98  ? 20.677 -23.725 -17.588 1.00 54.94  ? 94  VAL   A N   1 
ATOM   728  C CA  . VAL   A 1 98  ? 20.637 -24.665 -16.476 1.00 58.59  ? 94  VAL   A CA  1 
ATOM   729  C C   . VAL   A 1 98  ? 21.176 -25.992 -16.989 1.00 57.78  ? 94  VAL   A C   1 
ATOM   730  O O   . VAL   A 1 98  ? 20.859 -26.410 -18.103 1.00 69.12  ? 94  VAL   A O   1 
ATOM   731  C CB  . VAL   A 1 98  ? 19.224 -24.831 -15.870 1.00 62.59  ? 94  VAL   A CB  1 
ATOM   732  C CG1 . VAL   A 1 98  ? 18.385 -23.562 -15.984 1.00 66.66  ? 94  VAL   A CG1 1 
ATOM   733  C CG2 . VAL   A 1 98  ? 18.463 -25.993 -16.482 1.00 66.04  ? 94  VAL   A CG2 1 
ATOM   734  N N   . CYS   A 1 99  ? 21.999 -26.641 -16.177 1.00 59.38  ? 95  CYS   A N   1 
ATOM   735  C CA  . CYS   A 1 99  ? 22.685 -27.832 -16.641 1.00 62.48  ? 95  CYS   A CA  1 
ATOM   736  C C   . CYS   A 1 99  ? 22.364 -28.971 -15.693 1.00 63.40  ? 95  CYS   A C   1 
ATOM   737  O O   . CYS   A 1 99  ? 22.521 -28.828 -14.489 1.00 72.71  ? 95  CYS   A O   1 
ATOM   738  C CB  . CYS   A 1 99  ? 24.191 -27.610 -16.637 1.00 60.96  ? 95  CYS   A CB  1 
ATOM   739  S SG  . CYS   A 1 99  ? 25.127 -29.134 -16.934 1.00 66.16  ? 95  CYS   A SG  1 
ATOM   740  N N   . GLU   A 1 100 ? 21.915 -30.086 -16.256 1.00 61.98  ? 96  GLU   A N   1 
ATOM   741  C CA  . GLU   A 1 100 ? 21.542 -31.248 -15.472 1.00 65.57  ? 96  GLU   A CA  1 
ATOM   742  C C   . GLU   A 1 100 ? 22.656 -32.271 -15.659 1.00 65.22  ? 96  GLU   A C   1 
ATOM   743  O O   . GLU   A 1 100 ? 23.170 -32.410 -16.769 1.00 72.50  ? 96  GLU   A O   1 
ATOM   744  C CB  . GLU   A 1 100 ? 20.167 -31.750 -15.936 1.00 57.96  ? 96  GLU   A CB  1 
ATOM   745  N N   . GLN   A 1 101 ? 23.035 -32.969 -14.580 1.00 65.03  ? 97  GLN   A N   1 
ATOM   746  C CA  . GLN   A 1 101 ? 24.116 -33.942 -14.659 1.00 70.29  ? 97  GLN   A CA  1 
ATOM   747  C C   . GLN   A 1 101 ? 23.616 -35.330 -14.279 1.00 69.22  ? 97  GLN   A C   1 
ATOM   748  O O   . GLN   A 1 101 ? 22.760 -35.470 -13.417 1.00 69.91  ? 97  GLN   A O   1 
ATOM   749  C CB  . GLN   A 1 101 ? 25.307 -33.544 -13.775 1.00 67.52  ? 97  GLN   A CB  1 
ATOM   750  C CG  . GLN   A 1 101 ? 25.997 -32.260 -14.236 1.00 67.27  ? 97  GLN   A CG  1 
ATOM   751  C CD  . GLN   A 1 101 ? 26.876 -31.636 -13.180 1.00 69.04  ? 97  GLN   A CD  1 
ATOM   752  O OE1 . GLN   A 1 101 ? 26.726 -31.910 -11.994 1.00 69.23  ? 97  GLN   A OE1 1 
ATOM   753  N NE2 . GLN   A 1 101 ? 27.803 -30.786 -13.603 1.00 71.40  ? 97  GLN   A NE2 1 
ATOM   754  N N   . LYS   A 1 102 ? 24.180 -36.348 -14.935 1.00 87.39  ? 98  LYS   A N   1 
ATOM   755  C CA  . LYS   A 1 102 ? 24.091 -37.733 -14.489 1.00 85.93  ? 98  LYS   A CA  1 
ATOM   756  C C   . LYS   A 1 102 ? 25.505 -38.322 -14.501 1.00 84.98  ? 98  LYS   A C   1 
ATOM   757  O O   . LYS   A 1 102 ? 26.294 -38.049 -15.416 1.00 80.57  ? 98  LYS   A O   1 
ATOM   758  C CB  . LYS   A 1 102 ? 23.056 -38.517 -15.315 1.00 78.74  ? 98  LYS   A CB  1 
ATOM   759  N N   . LEU   A 1 103 ? 25.816 -39.110 -13.460 1.00 79.85  ? 99  LEU   A N   1 
ATOM   760  C CA  . LEU   A 1 103 ? 27.113 -39.755 -13.258 1.00 90.33  ? 99  LEU   A CA  1 
ATOM   761  C C   . LEU   A 1 103 ? 27.413 -40.818 -14.319 1.00 88.51  ? 99  LEU   A C   1 
ATOM   762  O O   . LEU   A 1 103 ? 26.515 -41.523 -14.778 1.00 101.34 ? 99  LEU   A O   1 
ATOM   763  C CB  . LEU   A 1 103 ? 27.126 -40.375 -11.858 1.00 82.40  ? 99  LEU   A CB  1 
ATOM   764  C CG  . LEU   A 1 103 ? 27.285 -39.368 -10.721 1.00 84.30  ? 99  LEU   A CG  1 
ATOM   765  C CD1 . LEU   A 1 103 ? 26.707 -39.912 -9.428  1.00 70.69  ? 99  LEU   A CD1 1 
ATOM   766  C CD2 . LEU   A 1 103 ? 28.748 -38.956 -10.545 1.00 81.35  ? 99  LEU   A CD2 1 
ATOM   767  N N   . LEU   A 1 104 ? 28.692 -40.926 -14.700 1.00 95.50  ? 100 LEU   A N   1 
ATOM   768  C CA  . LEU   A 1 104 ? 29.169 -41.976 -15.593 1.00 107.69 ? 100 LEU   A CA  1 
ATOM   769  C C   . LEU   A 1 104 ? 29.093 -43.331 -14.879 1.00 106.54 ? 100 LEU   A C   1 
ATOM   770  O O   . LEU   A 1 104 ? 28.318 -44.202 -15.267 1.00 111.73 ? 100 LEU   A O   1 
ATOM   771  C CB  . LEU   A 1 104 ? 30.604 -41.666 -16.052 1.00 102.56 ? 100 LEU   A CB  1 
ATOM   772  C CG  . LEU   A 1 104 ? 30.791 -40.662 -17.197 1.00 104.58 ? 100 LEU   A CG  1 
ATOM   773  C CD1 . LEU   A 1 104 ? 32.013 -41.023 -18.045 1.00 94.04  ? 100 LEU   A CD1 1 
ATOM   774  C CD2 . LEU   A 1 104 ? 29.551 -40.532 -18.080 1.00 88.39  ? 100 LEU   A CD2 1 
ATOM   775  N N   . LYS   A 1 105 ? 29.918 -43.501 -13.838 1.00 104.24 ? 101 LYS   A N   1 
ATOM   776  C CA  . LYS   A 1 105 ? 29.889 -44.672 -12.979 1.00 101.86 ? 101 LYS   A CA  1 
ATOM   777  C C   . LYS   A 1 105 ? 29.227 -44.265 -11.665 1.00 105.30 ? 101 LYS   A C   1 
ATOM   778  O O   . LYS   A 1 105 ? 29.070 -43.074 -11.398 1.00 101.30 ? 101 LYS   A O   1 
ATOM   779  C CB  . LYS   A 1 105 ? 31.312 -45.211 -12.758 1.00 86.09  ? 101 LYS   A CB  1 
ATOM   780  N N   . GLY   A 1 106 ? 28.814 -45.266 -10.877 1.00 110.53 ? 102 GLY   A N   1 
ATOM   781  C CA  . GLY   A 1 106 ? 28.489 -45.092 -9.469  1.00 96.74  ? 102 GLY   A CA  1 
ATOM   782  C C   . GLY   A 1 106 ? 27.085 -44.544 -9.210  1.00 103.05 ? 102 GLY   A C   1 
ATOM   783  O O   . GLY   A 1 106 ? 26.335 -44.240 -10.135 1.00 98.82  ? 102 GLY   A O   1 
ATOM   784  N N   . GLU   A 1 107 ? 26.749 -44.462 -7.917  1.00 113.25 ? 103 GLU   A N   1 
ATOM   785  C CA  . GLU   A 1 107 ? 25.590 -43.756 -7.395  1.00 106.08 ? 103 GLU   A CA  1 
ATOM   786  C C   . GLU   A 1 107 ? 26.104 -42.584 -6.551  1.00 109.88 ? 103 GLU   A C   1 
ATOM   787  O O   . GLU   A 1 107 ? 27.270 -42.567 -6.150  1.00 117.44 ? 103 GLU   A O   1 
ATOM   788  C CB  . GLU   A 1 107 ? 24.692 -44.730 -6.621  1.00 96.48  ? 103 GLU   A CB  1 
ATOM   789  N N   . GLY   A 1 108 ? 25.236 -41.591 -6.314  1.00 93.31  ? 104 GLY   A N   1 
ATOM   790  C CA  . GLY   A 1 108 ? 25.591 -40.385 -5.583  1.00 87.70  ? 104 GLY   A CA  1 
ATOM   791  C C   . GLY   A 1 108 ? 24.467 -39.345 -5.576  1.00 88.34  ? 104 GLY   A C   1 
ATOM   792  O O   . GLY   A 1 108 ? 23.337 -39.628 -5.961  1.00 96.58  ? 104 GLY   A O   1 
ATOM   793  N N   . PRO   A 1 109 ? 24.726 -38.091 -5.145  1.00 92.74  ? 105 PRO   A N   1 
ATOM   794  C CA  . PRO   A 1 109 ? 23.672 -37.083 -5.064  1.00 84.35  ? 105 PRO   A CA  1 
ATOM   795  C C   . PRO   A 1 109 ? 23.337 -36.511 -6.441  1.00 87.58  ? 105 PRO   A C   1 
ATOM   796  O O   . PRO   A 1 109 ? 24.162 -36.549 -7.356  1.00 84.97  ? 105 PRO   A O   1 
ATOM   797  C CB  . PRO   A 1 109 ? 24.278 -36.014 -4.146  1.00 89.63  ? 105 PRO   A CB  1 
ATOM   798  C CG  . PRO   A 1 109 ? 25.569 -36.634 -3.617  1.00 86.83  ? 105 PRO   A CG  1 
ATOM   799  C CD  . PRO   A 1 109 ? 26.031 -37.572 -4.711  1.00 96.17  ? 105 PRO   A CD  1 
ATOM   800  N N   . LYS   A 1 110 ? 22.099 -36.010 -6.559  1.00 90.19  ? 106 LYS   A N   1 
ATOM   801  C CA  . LYS   A 1 110 ? 21.568 -35.335 -7.738  1.00 92.76  ? 106 LYS   A CA  1 
ATOM   802  C C   . LYS   A 1 110 ? 22.193 -33.928 -7.815  1.00 85.35  ? 106 LYS   A C   1 
ATOM   803  O O   . LYS   A 1 110 ? 21.948 -33.064 -6.962  1.00 69.41  ? 106 LYS   A O   1 
ATOM   804  C CB  . LYS   A 1 110 ? 20.026 -35.398 -7.678  1.00 83.11  ? 106 LYS   A CB  1 
ATOM   805  C CG  . LYS   A 1 110 ? 19.236 -34.777 -8.830  1.00 78.87  ? 106 LYS   A CG  1 
ATOM   806  N N   . THR   A 1 111 ? 23.044 -33.710 -8.826  1.00 70.47  ? 107 THR   A N   1 
ATOM   807  C CA  . THR   A 1 111 ? 23.743 -32.440 -8.938  1.00 69.60  ? 107 THR   A CA  1 
ATOM   808  C C   . THR   A 1 111 ? 23.263 -31.705 -10.175 1.00 70.79  ? 107 THR   A C   1 
ATOM   809  O O   . THR   A 1 111 ? 22.814 -32.318 -11.140 1.00 73.08  ? 107 THR   A O   1 
ATOM   810  C CB  . THR   A 1 111 ? 25.270 -32.595 -8.932  1.00 71.36  ? 107 THR   A CB  1 
ATOM   811  O OG1 . THR   A 1 111 ? 25.648 -33.606 -9.868  1.00 67.28  ? 107 THR   A OG1 1 
ATOM   812  C CG2 . THR   A 1 111 ? 25.808 -32.972 -7.568  1.00 65.91  ? 107 THR   A CG2 1 
ATOM   813  N N   . SER   A 1 112 ? 23.371 -30.378 -10.120 1.00 66.03  ? 108 SER   A N   1 
ATOM   814  C CA  . SER   A 1 112 ? 23.073 -29.534 -11.264 1.00 58.99  ? 108 SER   A CA  1 
ATOM   815  C C   . SER   A 1 112 ? 23.723 -28.161 -11.068 1.00 57.62  ? 108 SER   A C   1 
ATOM   816  O O   . SER   A 1 112 ? 24.207 -27.829 -9.989  1.00 58.67  ? 108 SER   A O   1 
ATOM   817  C CB  . SER   A 1 112 ? 21.588 -29.425 -11.477 1.00 50.34  ? 108 SER   A CB  1 
ATOM   818  O OG  . SER   A 1 112 ? 20.987 -28.740 -10.397 1.00 55.13  ? 108 SER   A OG  1 
ATOM   819  N N   . TRP   A 1 113 ? 23.738 -27.348 -12.115 1.00 56.46  ? 109 TRP   A N   1 
ATOM   820  C CA  . TRP   A 1 113 ? 24.268 -26.013 -11.920 1.00 60.53  ? 109 TRP   A CA  1 
ATOM   821  C C   . TRP   A 1 113 ? 23.547 -25.049 -12.841 1.00 54.09  ? 109 TRP   A C   1 
ATOM   822  O O   . TRP   A 1 113 ? 22.953 -25.497 -13.815 1.00 55.95  ? 109 TRP   A O   1 
ATOM   823  C CB  . TRP   A 1 113 ? 25.785 -25.987 -12.135 1.00 56.16  ? 109 TRP   A CB  1 
ATOM   824  C CG  . TRP   A 1 113 ? 26.312 -26.432 -13.473 1.00 60.17  ? 109 TRP   A CG  1 
ATOM   825  C CD1 . TRP   A 1 113 ? 26.947 -27.612 -13.759 1.00 62.64  ? 109 TRP   A CD1 1 
ATOM   826  C CD2 . TRP   A 1 113 ? 26.363 -25.661 -14.689 1.00 56.39  ? 109 TRP   A CD2 1 
ATOM   827  N NE1 . TRP   A 1 113 ? 27.354 -27.640 -15.071 1.00 64.37  ? 109 TRP   A NE1 1 
ATOM   828  C CE2 . TRP   A 1 113 ? 27.020 -26.453 -15.660 1.00 56.04  ? 109 TRP   A CE2 1 
ATOM   829  C CE3 . TRP   A 1 113 ? 25.901 -24.387 -15.054 1.00 61.91  ? 109 TRP   A CE3 1 
ATOM   830  C CZ2 . TRP   A 1 113 ? 27.196 -26.025 -16.972 1.00 60.38  ? 109 TRP   A CZ2 1 
ATOM   831  C CZ3 . TRP   A 1 113 ? 26.071 -23.964 -16.355 1.00 56.57  ? 109 TRP   A CZ3 1 
ATOM   832  C CH2 . TRP   A 1 113 ? 26.704 -24.777 -17.296 1.00 59.28  ? 109 TRP   A CH2 1 
ATOM   833  N N   . THR   A 1 114 ? 23.645 -23.748 -12.540 1.00 53.75  ? 110 THR   A N   1 
ATOM   834  C CA  . THR   A 1 114 ? 23.093 -22.711 -13.394 1.00 56.10  ? 110 THR   A CA  1 
ATOM   835  C C   . THR   A 1 114 ? 24.030 -21.507 -13.438 1.00 56.60  ? 110 THR   A C   1 
ATOM   836  O O   . THR   A 1 114 ? 24.732 -21.206 -12.488 1.00 65.28  ? 110 THR   A O   1 
ATOM   837  C CB  . THR   A 1 114 ? 21.675 -22.309 -12.955 1.00 61.79  ? 110 THR   A CB  1 
ATOM   838  O OG1 . THR   A 1 114 ? 21.789 -21.364 -11.887 1.00 63.95  ? 110 THR   A OG1 1 
ATOM   839  C CG2 . THR   A 1 114 ? 20.753 -23.468 -12.601 1.00 46.16  ? 110 THR   A CG2 1 
ATOM   840  N N   . LYS   A 1 115 ? 24.018 -20.816 -14.568 1.00 61.31  ? 111 LYS   A N   1 
ATOM   841  C CA  . LYS   A 1 115 ? 24.721 -19.569 -14.795 1.00 60.55  ? 111 LYS   A CA  1 
ATOM   842  C C   . LYS   A 1 115 ? 23.673 -18.563 -15.275 1.00 61.71  ? 111 LYS   A C   1 
ATOM   843  O O   . LYS   A 1 115 ? 22.832 -18.886 -16.120 1.00 62.28  ? 111 LYS   A O   1 
ATOM   844  C CB  . LYS   A 1 115 ? 25.710 -19.722 -15.957 1.00 61.64  ? 111 LYS   A CB  1 
ATOM   845  C CG  . LYS   A 1 115 ? 27.203 -19.727 -15.665 1.00 75.67  ? 111 LYS   A CG  1 
ATOM   846  C CD  . LYS   A 1 115 ? 27.863 -21.086 -15.906 1.00 83.67  ? 111 LYS   A CD  1 
ATOM   847  C CE  . LYS   A 1 115 ? 29.383 -21.069 -15.880 1.00 77.71  ? 111 LYS   A CE  1 
ATOM   848  N NZ  . LYS   A 1 115 ? 29.960 -22.363 -15.410 1.00 94.42  ? 111 LYS   A NZ  1 
ATOM   849  N N   . GLU   A 1 116 ? 23.738 -17.335 -14.754 1.00 56.81  ? 112 GLU   A N   1 
ATOM   850  C CA  . GLU   A 1 116 ? 22.858 -16.271 -15.208 1.00 60.41  ? 112 GLU   A CA  1 
ATOM   851  C C   . GLU   A 1 116 ? 23.587 -14.932 -15.229 1.00 55.53  ? 112 GLU   A C   1 
ATOM   852  O O   . GLU   A 1 116 ? 24.222 -14.570 -14.247 1.00 61.81  ? 112 GLU   A O   1 
ATOM   853  C CB  . GLU   A 1 116 ? 21.689 -16.143 -14.241 1.00 54.64  ? 112 GLU   A CB  1 
ATOM   854  C CG  . GLU   A 1 116 ? 20.964 -14.831 -14.433 1.00 71.98  ? 112 GLU   A CG  1 
ATOM   855  C CD  . GLU   A 1 116 ? 19.648 -14.692 -13.683 1.00 90.26  ? 112 GLU   A CD  1 
ATOM   856  O OE1 . GLU   A 1 116 ? 19.293 -15.635 -12.921 1.00 91.15  ? 112 GLU   A OE1 1 
ATOM   857  O OE2 . GLU   A 1 116 ? 18.972 -13.641 -13.872 1.00 92.37  ? 112 GLU   A OE2 1 
ATOM   858  N N   . LEU   A 1 117 ? 23.474 -14.204 -16.343 1.00 58.15  ? 113 LEU   A N   1 
ATOM   859  C CA  . LEU   A 1 117 ? 23.764 -12.777 -16.400 1.00 62.49  ? 113 LEU   A CA  1 
ATOM   860  C C   . LEU   A 1 117 ? 22.584 -11.995 -15.836 1.00 64.31  ? 113 LEU   A C   1 
ATOM   861  O O   . LEU   A 1 117 ? 21.475 -12.147 -16.318 1.00 74.85  ? 113 LEU   A O   1 
ATOM   862  C CB  . LEU   A 1 117 ? 23.920 -12.397 -17.867 1.00 65.39  ? 113 LEU   A CB  1 
ATOM   863  C CG  . LEU   A 1 117 ? 25.349 -12.164 -18.342 1.00 84.96  ? 113 LEU   A CG  1 
ATOM   864  C CD1 . LEU   A 1 117 ? 25.364 -12.051 -19.859 1.00 90.92  ? 113 LEU   A CD1 1 
ATOM   865  C CD2 . LEU   A 1 117 ? 25.929 -10.897 -17.717 1.00 84.96  ? 113 LEU   A CD2 1 
ATOM   866  N N   . THR   A 1 118 ? 22.812 -11.168 -14.811 1.00 78.04  ? 114 THR   A N   1 
ATOM   867  C CA  . THR   A 1 118 ? 21.753 -10.329 -14.262 1.00 70.32  ? 114 THR   A CA  1 
ATOM   868  C C   . THR   A 1 118 ? 21.703 -9.043  -15.063 1.00 73.90  ? 114 THR   A C   1 
ATOM   869  O O   . THR   A 1 118 ? 22.638 -8.764  -15.809 1.00 71.99  ? 114 THR   A O   1 
ATOM   870  C CB  . THR   A 1 118 ? 22.034 -9.829  -12.841 1.00 63.55  ? 114 THR   A CB  1 
ATOM   871  O OG1 . THR   A 1 118 ? 23.115 -8.890  -12.857 1.00 67.86  ? 114 THR   A OG1 1 
ATOM   872  C CG2 . THR   A 1 118 ? 22.281 -10.944 -11.854 1.00 66.56  ? 114 THR   A CG2 1 
ATOM   873  N N   . ASN   A 1 119 ? 20.635 -8.263  -14.838 1.00 88.72  ? 115 ASN   A N   1 
ATOM   874  C CA  . ASN   A 1 119 ? 20.390 -7.012  -15.542 1.00 88.12  ? 115 ASN   A CA  1 
ATOM   875  C C   . ASN   A 1 119 ? 21.438 -5.964  -15.188 1.00 86.89  ? 115 ASN   A C   1 
ATOM   876  O O   . ASN   A 1 119 ? 21.792 -5.160  -16.039 1.00 94.43  ? 115 ASN   A O   1 
ATOM   877  C CB  . ASN   A 1 119 ? 18.942 -6.546  -15.387 1.00 102.44 ? 115 ASN   A CB  1 
ATOM   878  C CG  . ASN   A 1 119 ? 18.007 -7.472  -16.134 1.00 112.60 ? 115 ASN   A CG  1 
ATOM   879  O OD1 . ASN   A 1 119 ? 17.471 -8.412  -15.551 1.00 124.71 ? 115 ASN   A OD1 1 
ATOM   880  N ND2 . ASN   A 1 119 ? 17.874 -7.272  -17.437 1.00 96.56  ? 115 ASN   A ND2 1 
ATOM   881  N N   . ASP   A 1 120 ? 21.974 -6.017  -13.962 1.00 99.35  ? 116 ASP   A N   1 
ATOM   882  C CA  . ASP   A 1 120 ? 23.000 -5.080  -13.520 1.00 94.00  ? 116 ASP   A CA  1 
ATOM   883  C C   . ASP   A 1 120 ? 24.409 -5.690  -13.621 1.00 85.87  ? 116 ASP   A C   1 
ATOM   884  O O   . ASP   A 1 120 ? 25.302 -5.347  -12.853 1.00 77.86  ? 116 ASP   A O   1 
ATOM   885  C CB  . ASP   A 1 120 ? 22.607 -4.418  -12.189 1.00 100.26 ? 116 ASP   A CB  1 
ATOM   886  C CG  . ASP   A 1 120 ? 22.058 -5.372  -11.130 1.00 122.58 ? 116 ASP   A CG  1 
ATOM   887  O OD1 . ASP   A 1 120 ? 22.384 -6.585  -11.184 1.00 132.12 ? 116 ASP   A OD1 1 
ATOM   888  O OD2 . ASP   A 1 120 ? 21.311 -4.897  -10.244 1.00 112.35 ? 116 ASP   A OD2 1 
ATOM   889  N N   . GLY   A 1 121 ? 24.617 -6.604  -14.576 1.00 86.82  ? 117 GLY   A N   1 
ATOM   890  C CA  . GLY   A 1 121 ? 25.950 -6.995  -15.034 1.00 85.46  ? 117 GLY   A CA  1 
ATOM   891  C C   . GLY   A 1 121 ? 26.734 -7.927  -14.106 1.00 72.96  ? 117 GLY   A C   1 
ATOM   892  O O   . GLY   A 1 121 ? 27.957 -7.957  -14.150 1.00 89.53  ? 117 GLY   A O   1 
ATOM   893  N N   . GLU   A 1 122 ? 26.042 -8.670  -13.247 1.00 66.68  ? 118 GLU   A N   1 
ATOM   894  C CA  . GLU   A 1 122 ? 26.683 -9.676  -12.422 1.00 68.92  ? 118 GLU   A CA  1 
ATOM   895  C C   . GLU   A 1 122 ? 26.455 -11.035 -13.079 1.00 74.28  ? 118 GLU   A C   1 
ATOM   896  O O   . GLU   A 1 122 ? 25.405 -11.281 -13.701 1.00 58.61  ? 118 GLU   A O   1 
ATOM   897  C CB  . GLU   A 1 122 ? 26.050 -9.730  -11.024 1.00 67.66  ? 118 GLU   A CB  1 
ATOM   898  C CG  . GLU   A 1 122 ? 26.418 -8.567  -10.101 1.00 71.63  ? 118 GLU   A CG  1 
ATOM   899  C CD  . GLU   A 1 122 ? 25.898 -8.618  -8.661  1.00 74.42  ? 118 GLU   A CD  1 
ATOM   900  O OE1 . GLU   A 1 122 ? 24.833 -9.242  -8.410  1.00 77.62  ? 118 GLU   A OE1 1 
ATOM   901  O OE2 . GLU   A 1 122 ? 26.562 -8.039  -7.772  1.00 80.20  ? 118 GLU   A OE2 1 
ATOM   902  N N   . LEU   A 1 123 ? 27.444 -11.922 -12.916 1.00 67.44  ? 119 LEU   A N   1 
ATOM   903  C CA  . LEU   A 1 123 ? 27.264 -13.322 -13.259 1.00 54.99  ? 119 LEU   A CA  1 
ATOM   904  C C   . LEU   A 1 123 ? 26.938 -14.122 -12.004 1.00 57.30  ? 119 LEU   A C   1 
ATOM   905  O O   . LEU   A 1 123 ? 27.698 -14.130 -11.041 1.00 60.42  ? 119 LEU   A O   1 
ATOM   906  C CB  . LEU   A 1 123 ? 28.539 -13.813 -13.923 1.00 55.66  ? 119 LEU   A CB  1 
ATOM   907  C CG  . LEU   A 1 123 ? 28.620 -15.313 -14.193 1.00 65.28  ? 119 LEU   A CG  1 
ATOM   908  C CD1 . LEU   A 1 123 ? 27.680 -15.710 -15.324 1.00 60.01  ? 119 LEU   A CD1 1 
ATOM   909  C CD2 . LEU   A 1 123 ? 30.063 -15.660 -14.552 1.00 62.63  ? 119 LEU   A CD2 1 
ATOM   910  N N   . ILE   A 1 124 ? 25.791 -14.806 -12.029 1.00 60.44  ? 120 ILE   A N   1 
ATOM   911  C CA  . ILE   A 1 124 ? 25.368 -15.613 -10.897 1.00 53.90  ? 120 ILE   A CA  1 
ATOM   912  C C   . ILE   A 1 124 ? 25.446 -17.087 -11.271 1.00 53.58  ? 120 ILE   A C   1 
ATOM   913  O O   . ILE   A 1 124 ? 24.936 -17.504 -12.296 1.00 63.85  ? 120 ILE   A O   1 
ATOM   914  C CB  . ILE   A 1 124 ? 23.959 -15.233 -10.424 1.00 60.91  ? 120 ILE   A CB  1 
ATOM   915  C CG1 . ILE   A 1 124 ? 23.911 -13.761 -9.983  1.00 68.37  ? 120 ILE   A CG1 1 
ATOM   916  C CG2 . ILE   A 1 124 ? 23.521 -16.192 -9.326  1.00 53.50  ? 120 ILE   A CG2 1 
ATOM   917  C CD1 . ILE   A 1 124 ? 22.527 -13.256 -9.619  1.00 72.56  ? 120 ILE   A CD1 1 
ATOM   918  N N   . LEU   A 1 125 ? 26.087 -17.860 -10.409 1.00 51.62  ? 121 LEU   A N   1 
ATOM   919  C CA  . LEU   A 1 125 ? 26.271 -19.284 -10.592 1.00 56.21  ? 121 LEU   A CA  1 
ATOM   920  C C   . LEU   A 1 125 ? 25.620 -19.945 -9.391  1.00 58.91  ? 121 LEU   A C   1 
ATOM   921  O O   . LEU   A 1 125 ? 25.822 -19.493 -8.259  1.00 58.41  ? 121 LEU   A O   1 
ATOM   922  C CB  . LEU   A 1 125 ? 27.779 -19.512 -10.524 1.00 61.81  ? 121 LEU   A CB  1 
ATOM   923  C CG  . LEU   A 1 125 ? 28.346 -20.646 -11.353 1.00 84.04  ? 121 LEU   A CG  1 
ATOM   924  C CD1 . LEU   A 1 125 ? 29.756 -20.270 -11.805 1.00 82.59  ? 121 LEU   A CD1 1 
ATOM   925  C CD2 . LEU   A 1 125 ? 28.329 -21.941 -10.554 1.00 76.39  ? 121 LEU   A CD2 1 
ATOM   926  N N   . THR   A 1 126 ? 24.815 -20.975 -9.642  1.00 56.38  ? 122 THR   A N   1 
ATOM   927  C CA  . THR   A 1 126 ? 24.327 -21.805 -8.549  1.00 56.41  ? 122 THR   A CA  1 
ATOM   928  C C   . THR   A 1 126 ? 24.774 -23.230 -8.834  1.00 52.28  ? 122 THR   A C   1 
ATOM   929  O O   . THR   A 1 126 ? 24.938 -23.598 -9.979  1.00 60.85  ? 122 THR   A O   1 
ATOM   930  C CB  . THR   A 1 126 ? 22.820 -21.598 -8.300  1.00 57.52  ? 122 THR   A CB  1 
ATOM   931  O OG1 . THR   A 1 126 ? 22.112 -22.470 -9.173  1.00 61.43  ? 122 THR   A OG1 1 
ATOM   932  C CG2 . THR   A 1 126 ? 22.341 -20.170 -8.510  1.00 50.78  ? 122 THR   A CG2 1 
ATOM   933  N N   . MET   A 1 127 ? 25.043 -24.008 -7.799  1.00 58.87  ? 123 MET   A N   1 
ATOM   934  C CA  . MET   A 1 127 ? 25.357 -25.418 -7.959  1.00 57.04  ? 123 MET   A CA  1 
ATOM   935  C C   . MET   A 1 127 ? 24.565 -26.152 -6.881  1.00 62.44  ? 123 MET   A C   1 
ATOM   936  O O   . MET   A 1 127 ? 24.473 -25.667 -5.751  1.00 67.12  ? 123 MET   A O   1 
ATOM   937  C CB  . MET   A 1 127 ? 26.842 -25.670 -7.734  1.00 59.71  ? 123 MET   A CB  1 
ATOM   938  C CG  . MET   A 1 127 ? 27.741 -24.792 -8.566  1.00 71.34  ? 123 MET   A CG  1 
ATOM   939  S SD  . MET   A 1 127 ? 29.460 -24.826 -7.941  1.00 83.74  ? 123 MET   A SD  1 
ATOM   940  C CE  . MET   A 1 127 ? 29.553 -23.255 -7.080  1.00 85.27  ? 123 MET   A CE  1 
ATOM   941  N N   . THR   A 1 128 ? 23.950 -27.281 -7.248  1.00 57.46  ? 124 THR   A N   1 
ATOM   942  C CA  . THR   A 1 128 ? 22.982 -27.950 -6.397  1.00 56.44  ? 124 THR   A CA  1 
ATOM   943  C C   . THR   A 1 128 ? 23.420 -29.387 -6.185  1.00 65.27  ? 124 THR   A C   1 
ATOM   944  O O   . THR   A 1 128 ? 23.930 -30.050 -7.093  1.00 72.27  ? 124 THR   A O   1 
ATOM   945  C CB  . THR   A 1 128 ? 21.573 -27.933 -7.004  1.00 61.25  ? 124 THR   A CB  1 
ATOM   946  O OG1 . THR   A 1 128 ? 21.153 -26.574 -7.045  1.00 64.54  ? 124 THR   A OG1 1 
ATOM   947  C CG2 . THR   A 1 128 ? 20.542 -28.693 -6.204  1.00 61.69  ? 124 THR   A CG2 1 
ATOM   948  N N   . ALA   A 1 129 ? 23.233 -29.832 -4.947  1.00 71.22  ? 125 ALA   A N   1 
ATOM   949  C CA  . ALA   A 1 129 ? 23.415 -31.226 -4.603  1.00 74.97  ? 125 ALA   A CA  1 
ATOM   950  C C   . ALA   A 1 129 ? 22.284 -31.611 -3.649  1.00 81.78  ? 125 ALA   A C   1 
ATOM   951  O O   . ALA   A 1 129 ? 22.180 -31.030 -2.566  1.00 72.23  ? 125 ALA   A O   1 
ATOM   952  C CB  . ALA   A 1 129 ? 24.790 -31.401 -4.024  1.00 62.83  ? 125 ALA   A CB  1 
ATOM   953  N N   . ASP   A 1 130 ? 21.415 -32.537 -4.103  1.00 82.44  ? 126 ASP   A N   1 
ATOM   954  C CA  . ASP   A 1 130 ? 20.100 -32.798 -3.518  1.00 76.22  ? 126 ASP   A CA  1 
ATOM   955  C C   . ASP   A 1 130 ? 19.472 -31.482 -3.081  1.00 73.83  ? 126 ASP   A C   1 
ATOM   956  O O   . ASP   A 1 130 ? 19.205 -30.633 -3.919  1.00 78.03  ? 126 ASP   A O   1 
ATOM   957  C CB  . ASP   A 1 130 ? 20.119 -33.864 -2.415  1.00 72.66  ? 126 ASP   A CB  1 
ATOM   958  C CG  . ASP   A 1 130 ? 20.810 -35.147 -2.852  1.00 93.99  ? 126 ASP   A CG  1 
ATOM   959  O OD1 . ASP   A 1 130 ? 20.477 -35.656 -3.950  1.00 96.21  ? 126 ASP   A OD1 1 
ATOM   960  O OD2 . ASP   A 1 130 ? 21.711 -35.611 -2.112  1.00 86.31  ? 126 ASP   A OD2 1 
ATOM   961  N N   . ASP   A 1 131 ? 19.314 -31.302 -1.766  1.00 82.08  ? 127 ASP   A N   1 
ATOM   962  C CA  . ASP   A 1 131 ? 18.449 -30.271 -1.212  1.00 88.54  ? 127 ASP   A CA  1 
ATOM   963  C C   . ASP   A 1 131 ? 19.182 -28.930 -1.127  1.00 82.28  ? 127 ASP   A C   1 
ATOM   964  O O   . ASP   A 1 131 ? 18.541 -27.905 -0.878  1.00 85.27  ? 127 ASP   A O   1 
ATOM   965  C CB  . ASP   A 1 131 ? 17.854 -30.717 0.133   1.00 87.21  ? 127 ASP   A CB  1 
ATOM   966  N N   . VAL   A 1 132 ? 20.505 -28.943 -1.377  1.00 80.67  ? 128 VAL   A N   1 
ATOM   967  C CA  . VAL   A 1 132 ? 21.425 -27.865 -1.017  1.00 72.95  ? 128 VAL   A CA  1 
ATOM   968  C C   . VAL   A 1 132 ? 21.883 -27.134 -2.272  1.00 66.76  ? 128 VAL   A C   1 
ATOM   969  O O   . VAL   A 1 132 ? 22.271 -27.773 -3.248  1.00 72.29  ? 128 VAL   A O   1 
ATOM   970  C CB  . VAL   A 1 132 ? 22.633 -28.412 -0.225  1.00 81.44  ? 128 VAL   A CB  1 
ATOM   971  C CG1 . VAL   A 1 132 ? 23.732 -27.373 0.010   1.00 77.74  ? 128 VAL   A CG1 1 
ATOM   972  C CG2 . VAL   A 1 132 ? 22.195 -29.030 1.088   1.00 74.57  ? 128 VAL   A CG2 1 
ATOM   973  N N   . VAL   A 1 133 ? 21.876 -25.796 -2.195  1.00 75.48  ? 129 VAL   A N   1 
ATOM   974  C CA  . VAL   A 1 133 ? 22.092 -24.898 -3.322  1.00 67.86  ? 129 VAL   A CA  1 
ATOM   975  C C   . VAL   A 1 133 ? 23.166 -23.887 -2.941  1.00 69.33  ? 129 VAL   A C   1 
ATOM   976  O O   . VAL   A 1 133 ? 22.894 -23.006 -2.141  1.00 69.64  ? 129 VAL   A O   1 
ATOM   977  C CB  . VAL   A 1 133 ? 20.792 -24.146 -3.675  1.00 72.52  ? 129 VAL   A CB  1 
ATOM   978  C CG1 . VAL   A 1 133 ? 20.954 -23.232 -4.883  1.00 65.88  ? 129 VAL   A CG1 1 
ATOM   979  C CG2 . VAL   A 1 133 ? 19.612 -25.091 -3.869  1.00 79.37  ? 129 VAL   A CG2 1 
ATOM   980  N N   . CYS   A 1 134 ? 24.362 -23.996 -3.534  1.00 65.59  ? 130 CYS   A N   1 
ATOM   981  C CA  . CYS   A 1 134 ? 25.385 -22.971 -3.403  1.00 55.49  ? 130 CYS   A CA  1 
ATOM   982  C C   . CYS   A 1 134 ? 25.168 -21.861 -4.439  1.00 58.48  ? 130 CYS   A C   1 
ATOM   983  O O   . CYS   A 1 134 ? 24.783 -22.126 -5.564  1.00 65.61  ? 130 CYS   A O   1 
ATOM   984  C CB  . CYS   A 1 134 ? 26.760 -23.598 -3.614  1.00 58.99  ? 130 CYS   A CB  1 
ATOM   985  S SG  . CYS   A 1 134 ? 28.132 -22.409 -3.668  1.00 62.03  ? 130 CYS   A SG  1 
ATOM   986  N N   . THR   A 1 135 ? 25.474 -20.614 -4.082  1.00 51.33  ? 131 THR   A N   1 
ATOM   987  C CA  . THR   A 1 135 ? 25.298 -19.493 -4.988  1.00 58.04  ? 131 THR   A CA  1 
ATOM   988  C C   . THR   A 1 135 ? 26.568 -18.641 -4.992  1.00 62.11  ? 131 THR   A C   1 
ATOM   989  O O   . THR   A 1 135 ? 27.079 -18.279 -3.947  1.00 66.61  ? 131 THR   A O   1 
ATOM   990  C CB  . THR   A 1 135 ? 24.089 -18.634 -4.593  1.00 56.00  ? 131 THR   A CB  1 
ATOM   991  O OG1 . THR   A 1 135 ? 22.913 -19.445 -4.643  1.00 67.97  ? 131 THR   A OG1 1 
ATOM   992  C CG2 . THR   A 1 135 ? 23.914 -17.455 -5.520  1.00 51.47  ? 131 THR   A CG2 1 
ATOM   993  N N   . GLN   A 1 136 ? 27.118 -18.336 -6.162  1.00 56.70  ? 132 GLN   A N   1 
ATOM   994  C CA  . GLN   A 1 136 ? 28.310 -17.514 -6.138  1.00 56.77  ? 132 GLN   A CA  1 
ATOM   995  C C   . GLN   A 1 136 ? 28.091 -16.404 -7.148  1.00 60.89  ? 132 GLN   A C   1 
ATOM   996  O O   . GLN   A 1 136 ? 27.647 -16.653 -8.263  1.00 64.34  ? 132 GLN   A O   1 
ATOM   997  C CB  . GLN   A 1 136 ? 29.581 -18.306 -6.454  1.00 53.70  ? 132 GLN   A CB  1 
ATOM   998  C CG  . GLN   A 1 136 ? 29.844 -19.465 -5.509  1.00 50.94  ? 132 GLN   A CG  1 
ATOM   999  C CD  . GLN   A 1 136 ? 31.090 -20.219 -5.911  1.00 57.07  ? 132 GLN   A CD  1 
ATOM   1000 O OE1 . GLN   A 1 136 ? 31.354 -20.441 -7.084  1.00 61.28  ? 132 GLN   A OE1 1 
ATOM   1001 N NE2 . GLN   A 1 136 ? 31.873 -20.641 -4.936  1.00 63.70  ? 132 GLN   A NE2 1 
ATOM   1002 N N   . VAL   A 1 137 ? 28.412 -15.185 -6.733  1.00 59.22  ? 133 VAL   A N   1 
ATOM   1003 C CA  . VAL   A 1 137 ? 28.248 -14.035 -7.591  1.00 57.22  ? 133 VAL   A CA  1 
ATOM   1004 C C   . VAL   A 1 137 ? 29.619 -13.580 -8.075  1.00 58.39  ? 133 VAL   A C   1 
ATOM   1005 O O   . VAL   A 1 137 ? 30.565 -13.484 -7.278  1.00 58.59  ? 133 VAL   A O   1 
ATOM   1006 C CB  . VAL   A 1 137 ? 27.545 -12.936 -6.788  1.00 58.61  ? 133 VAL   A CB  1 
ATOM   1007 C CG1 . VAL   A 1 137 ? 27.474 -11.631 -7.573  1.00 56.16  ? 133 VAL   A CG1 1 
ATOM   1008 C CG2 . VAL   A 1 137 ? 26.167 -13.427 -6.377  1.00 60.94  ? 133 VAL   A CG2 1 
ATOM   1009 N N   . PHE   A 1 138 ? 29.699 -13.275 -9.377  1.00 51.46  ? 134 PHE   A N   1 
ATOM   1010 C CA  . PHE   A 1 138 ? 30.911 -12.693 -9.928  1.00 58.26  ? 134 PHE   A CA  1 
ATOM   1011 C C   . PHE   A 1 138 ? 30.636 -11.327 -10.572 1.00 61.63  ? 134 PHE   A C   1 
ATOM   1012 O O   . PHE   A 1 138 ? 29.502 -11.031 -10.931 1.00 61.46  ? 134 PHE   A O   1 
ATOM   1013 C CB  . PHE   A 1 138 ? 31.526 -13.641 -10.953 1.00 53.33  ? 134 PHE   A CB  1 
ATOM   1014 C CG  . PHE   A 1 138 ? 31.830 -15.042 -10.493 1.00 57.07  ? 134 PHE   A CG  1 
ATOM   1015 C CD1 . PHE   A 1 138 ? 30.809 -15.936 -10.211 1.00 55.37  ? 134 PHE   A CD1 1 
ATOM   1016 C CD2 . PHE   A 1 138 ? 33.150 -15.488 -10.430 1.00 55.08  ? 134 PHE   A CD2 1 
ATOM   1017 C CE1 . PHE   A 1 138 ? 31.100 -17.244 -9.841  1.00 54.39  ? 134 PHE   A CE1 1 
ATOM   1018 C CE2 . PHE   A 1 138 ? 33.440 -16.790 -10.059 1.00 55.75  ? 134 PHE   A CE2 1 
ATOM   1019 C CZ  . PHE   A 1 138 ? 32.413 -17.665 -9.769  1.00 55.51  ? 134 PHE   A CZ  1 
ATOM   1020 N N   . VAL   A 1 139 ? 31.694 -10.509 -10.715 1.00 58.28  ? 135 VAL   A N   1 
ATOM   1021 C CA  . VAL   A 1 139 ? 31.642 -9.282  -11.496 1.00 62.00  ? 135 VAL   A CA  1 
ATOM   1022 C C   . VAL   A 1 139 ? 32.767 -9.304  -12.524 1.00 66.09  ? 135 VAL   A C   1 
ATOM   1023 O O   . VAL   A 1 139 ? 33.687 -10.119 -12.407 1.00 59.76  ? 135 VAL   A O   1 
ATOM   1024 C CB  . VAL   A 1 139 ? 31.785 -8.024  -10.615 1.00 65.33  ? 135 VAL   A CB  1 
ATOM   1025 C CG1 . VAL   A 1 139 ? 30.551 -7.781  -9.774  1.00 57.30  ? 135 VAL   A CG1 1 
ATOM   1026 C CG2 . VAL   A 1 139 ? 33.052 -8.025  -9.760  1.00 66.38  ? 135 VAL   A CG2 1 
ATOM   1027 N N   . ARG   A 1 140 ? 32.692 -8.375  -13.500 1.00 66.22  ? 136 ARG   A N   1 
ATOM   1028 C CA  . ARG   A 1 140 ? 33.650 -8.302  -14.597 1.00 70.51  ? 136 ARG   A CA  1 
ATOM   1029 C C   . ARG   A 1 140 ? 35.011 -7.858  -14.049 1.00 81.34  ? 136 ARG   A C   1 
ATOM   1030 O O   . ARG   A 1 140 ? 35.087 -6.857  -13.338 1.00 75.32  ? 136 ARG   A O   1 
ATOM   1031 C CB  . ARG   A 1 140 ? 33.132 -7.417  -15.741 1.00 59.83  ? 136 ARG   A CB  1 
ATOM   1032 C CG  . ARG   A 1 140 ? 31.937 -7.980  -16.510 1.00 57.80  ? 136 ARG   A CG  1 
ATOM   1033 C CD  . ARG   A 1 140 ? 31.871 -7.601  -17.996 1.00 64.62  ? 136 ARG   A CD  1 
ATOM   1034 N NE  . ARG   A 1 140 ? 31.392 -8.597  -18.979 1.00 62.10  ? 136 ARG   A NE  1 
ATOM   1035 C CZ  . ARG   A 1 140 ? 30.099 -8.795  -19.212 1.00 71.56  ? 136 ARG   A CZ  1 
ATOM   1036 N NH1 . ARG   A 1 140 ? 29.198 -8.070  -18.565 1.00 87.57  ? 136 ARG   A NH1 1 
ATOM   1037 N NH2 . ARG   A 1 140 ? 29.694 -9.710  -20.067 1.00 70.54  ? 136 ARG   A NH2 1 
ATOM   1038 N N   . GLU   A 1 141 ? 36.079 -8.621  -14.350 1.00 85.51  ? 137 GLU   A N   1 
ATOM   1039 C CA  . GLU   A 1 141 ? 37.419 -8.241  -13.914 1.00 85.41  ? 137 GLU   A CA  1 
ATOM   1040 C C   . GLU   A 1 141 ? 37.639 -6.772  -14.296 1.00 95.05  ? 137 GLU   A C   1 
ATOM   1041 O O   . GLU   A 1 141 ? 37.402 -6.346  -15.444 1.00 87.35  ? 137 GLU   A O   1 
ATOM   1042 C CB  . GLU   A 1 141 ? 38.515 -9.150  -14.485 1.00 73.45  ? 137 GLU   A CB  1 
ATOM   1043 O OXT . GLU   A 1 141 ? 38.033 -5.982  -13.437 1.00 100.02 ? 137 GLU   A OXT 1 
HETATM 1044 N NAG . A1IQ1 B 2 .   ? 33.920 -26.077 -7.820  0.70 88.76  ? 201 A1IQ1 A NAG 1 
HETATM 1045 C CAB . A1IQ1 B 2 .   ? 33.444 -25.309 -8.793  0.70 92.35  ? 201 A1IQ1 A CAB 1 
HETATM 1046 C CAD . A1IQ1 B 2 .   ? 33.667 -25.685 -10.122 0.70 98.08  ? 201 A1IQ1 A CAD 1 
HETATM 1047 C CAC . A1IQ1 B 2 .   ? 33.164 -24.867 -11.143 0.70 105.44 ? 201 A1IQ1 A CAC 1 
HETATM 1048 C CAA . A1IQ1 B 2 .   ? 32.728 -24.138 -8.492  0.70 87.91  ? 201 A1IQ1 A CAA 1 
HETATM 1049 C CAF . A1IQ1 B 2 .   ? 32.219 -23.331 -9.525  0.70 94.16  ? 201 A1IQ1 A CAF 1 
HETATM 1050 C CAE . A1IQ1 B 2 .   ? 32.414 -23.699 -10.865 0.70 98.46  ? 201 A1IQ1 A CAE 1 
HETATM 1051 C CAL . A1IQ1 B 2 .   ? 31.920 -22.877 -11.898 0.70 93.65  ? 201 A1IQ1 A CAL 1 
HETATM 1052 C CAM . A1IQ1 B 2 .   ? 30.984 -23.386 -13.052 0.70 96.98  ? 201 A1IQ1 A CAM 1 
HETATM 1053 C CAN . A1IQ1 B 2 .   ? 30.555 -22.362 -14.117 0.70 95.31  ? 201 A1IQ1 A CAN 1 
HETATM 1054 C CAO . A1IQ1 B 2 .   ? 30.440 -24.832 -13.267 0.70 106.19 ? 201 A1IQ1 A CAO 1 
HETATM 1055 O OAP . A1IQ1 B 2 .   ? 29.714 -25.011 -14.246 0.70 102.66 ? 201 A1IQ1 A OAP 1 
HETATM 1056 O OAQ . A1IQ1 B 2 .   ? 30.772 -25.834 -12.357 0.70 124.15 ? 201 A1IQ1 A OAQ 1 
HETATM 1057 C CAJ . A1IQ1 B 2 .   ? 29.755 -26.822 -11.982 0.70 106.79 ? 201 A1IQ1 A CAJ 1 
HETATM 1058 O O   . HOH   C 3 .   ? 23.951 -39.300 -11.882 1.00 71.00  ? 301 HOH   A O   1 
HETATM 1059 O O   . HOH   C 3 .   ? 27.859 -29.478 -25.811 1.00 58.14  ? 302 HOH   A O   1 
HETATM 1060 O O   . HOH   C 3 .   ? 22.601 -18.922 -11.641 1.00 57.07  ? 303 HOH   A O   1 
HETATM 1061 O O   . HOH   C 3 .   ? 20.293 -17.492 -11.347 1.00 58.74  ? 304 HOH   A O   1 
HETATM 1062 O O   . HOH   C 3 .   ? 36.120 -7.239  -17.584 1.00 73.47  ? 305 HOH   A O   1 
HETATM 1063 O O   . HOH   C 3 .   ? 36.316 -36.280 2.269   1.00 68.43  ? 306 HOH   A O   1 
HETATM 1064 O O   . HOH   C 3 .   ? 23.155 -9.224  -22.635 1.00 77.23  ? 307 HOH   A O   1 
HETATM 1065 O O   . HOH   C 3 .   ? 23.160 -15.050 -24.655 1.00 70.03  ? 308 HOH   A O   1 
HETATM 1066 O O   . HOH   C 3 .   ? 24.432 -3.692  -17.282 1.00 77.02  ? 309 HOH   A O   1 
HETATM 1067 O O   . HOH   C 3 .   ? 29.323 -37.685 -5.832  1.00 75.08  ? 310 HOH   A O   1 
HETATM 1068 O O   . HOH   C 3 .   ? 22.130 -35.466 -18.160 1.00 71.37  ? 311 HOH   A O   1 
HETATM 1069 O O   . HOH   C 3 .   ? 22.357 -11.906 -6.162  1.00 82.69  ? 312 HOH   A O   1 
HETATM 1070 O O   . HOH   C 3 .   ? 31.678 -28.334 -28.288 1.00 72.65  ? 313 HOH   A O   1 
HETATM 1071 O O   . HOH   C 3 .   ? 34.655 -14.504 -0.953  1.00 79.92  ? 314 HOH   A O   1 
HETATM 1072 O O   . HOH   C 3 .   ? 30.923 -4.042  -24.664 1.00 76.86  ? 315 HOH   A O   1 
# 
