data_9GVX
# 
_entry.id   9GVX 
# 
_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   9GVX         pdb_00009gvx 10.2210/pdb9gvx/pdb 
WWPDB D_1292139306 ?            ?                   
# 
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                        9GVX 
_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-ethynylphenyl)-2-methyl-prop-2-enoate' 200.233   1  ? ? ? ? 
3 water       nat water                                                      18.015    70 ? ? ? ? 
# 
_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-ethynylphenyl)-2-methyl-prop-2-enoate' A1IQZ 
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 
A1IQZ non-polymer         . 'methyl (~{Z})-3-(4-ethynylphenyl)-2-methyl-prop-2-enoate' ? 'C13 H12 O2'     200.233 
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        A1IQZ 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IQZ 
_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 A1IQZ 1  201 201 A1IQZ 00T A . 
C 3 HOH   1  301 89  HOH   HOH A . 
C 3 HOH   2  302 80  HOH   HOH A . 
C 3 HOH   3  303 78  HOH   HOH A . 
C 3 HOH   4  304 61  HOH   HOH A . 
C 3 HOH   5  305 14  HOH   HOH A . 
C 3 HOH   6  306 62  HOH   HOH A . 
C 3 HOH   7  307 33  HOH   HOH A . 
C 3 HOH   8  308 13  HOH   HOH A . 
C 3 HOH   9  309 2   HOH   HOH A . 
C 3 HOH   10 310 85  HOH   HOH A . 
C 3 HOH   11 311 31  HOH   HOH A . 
C 3 HOH   12 312 21  HOH   HOH A . 
C 3 HOH   13 313 67  HOH   HOH A . 
C 3 HOH   14 314 63  HOH   HOH A . 
C 3 HOH   15 315 64  HOH   HOH A . 
C 3 HOH   16 316 23  HOH   HOH A . 
C 3 HOH   17 317 65  HOH   HOH A . 
C 3 HOH   18 318 75  HOH   HOH A . 
C 3 HOH   19 319 24  HOH   HOH A . 
C 3 HOH   20 320 26  HOH   HOH A . 
C 3 HOH   21 321 53  HOH   HOH A . 
C 3 HOH   22 322 44  HOH   HOH A . 
C 3 HOH   23 323 69  HOH   HOH A . 
C 3 HOH   24 324 37  HOH   HOH A . 
C 3 HOH   25 325 35  HOH   HOH A . 
C 3 HOH   26 326 59  HOH   HOH A . 
C 3 HOH   27 327 22  HOH   HOH A . 
C 3 HOH   28 328 42  HOH   HOH A . 
C 3 HOH   29 329 76  HOH   HOH A . 
C 3 HOH   30 330 28  HOH   HOH A . 
C 3 HOH   31 331 30  HOH   HOH A . 
C 3 HOH   32 332 81  HOH   HOH A . 
C 3 HOH   33 333 72  HOH   HOH A . 
C 3 HOH   34 334 8   HOH   HOH A . 
C 3 HOH   35 335 16  HOH   HOH A . 
C 3 HOH   36 336 49  HOH   HOH A . 
C 3 HOH   37 337 73  HOH   HOH A . 
C 3 HOH   38 338 47  HOH   HOH A . 
C 3 HOH   39 339 39  HOH   HOH A . 
C 3 HOH   40 340 68  HOH   HOH A . 
C 3 HOH   41 341 36  HOH   HOH A . 
C 3 HOH   42 342 20  HOH   HOH A . 
C 3 HOH   43 343 86  HOH   HOH A . 
C 3 HOH   44 344 12  HOH   HOH A . 
C 3 HOH   45 345 66  HOH   HOH A . 
C 3 HOH   46 346 19  HOH   HOH A . 
C 3 HOH   47 347 43  HOH   HOH A . 
C 3 HOH   48 348 55  HOH   HOH A . 
C 3 HOH   49 349 84  HOH   HOH A . 
C 3 HOH   50 350 17  HOH   HOH A . 
C 3 HOH   51 351 34  HOH   HOH A . 
C 3 HOH   52 352 57  HOH   HOH A . 
C 3 HOH   53 353 71  HOH   HOH A . 
C 3 HOH   54 354 74  HOH   HOH A . 
C 3 HOH   55 355 56  HOH   HOH A . 
C 3 HOH   56 356 50  HOH   HOH A . 
C 3 HOH   57 357 88  HOH   HOH A . 
C 3 HOH   58 358 52  HOH   HOH A . 
C 3 HOH   59 359 77  HOH   HOH A . 
C 3 HOH   60 360 82  HOH   HOH A . 
C 3 HOH   61 361 27  HOH   HOH A . 
C 3 HOH   62 362 7   HOH   HOH A . 
C 3 HOH   63 363 6   HOH   HOH A . 
C 3 HOH   64 364 70  HOH   HOH A . 
C 3 HOH   65 365 87  HOH   HOH A . 
C 3 HOH   66 366 45  HOH   HOH A . 
C 3 HOH   67 367 58  HOH   HOH A . 
C 3 HOH   68 368 48  HOH   HOH A . 
C 3 HOH   69 369 54  HOH   HOH A . 
C 3 HOH   70 370 83  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   ? CD  ? A LYS 12  CD  
2  1 Y 1 A LYS 8   ? CE  ? A LYS 12  CE  
3  1 Y 1 A LYS 8   ? NZ  ? A LYS 12  NZ  
4  1 Y 1 A LYS 38  ? CD  ? A LYS 42  CD  
5  1 Y 1 A LYS 38  ? CE  ? A LYS 42  CE  
6  1 Y 1 A LYS 38  ? NZ  ? A LYS 42  NZ  
7  1 Y 1 A LYS 44  ? CD  ? A LYS 48  CD  
8  1 Y 1 A LYS 44  ? CE  ? A LYS 48  CE  
9  1 Y 1 A LYS 44  ? NZ  ? A LYS 48  NZ  
10 1 Y 1 A LYS 82  ? CD  ? A LYS 86  CD  
11 1 Y 1 A LYS 82  ? CE  ? A LYS 86  CE  
12 1 Y 1 A LYS 82  ? NZ  ? A LYS 86  NZ  
13 1 Y 1 A LYS 98  ? CD  ? A LYS 102 CD  
14 1 Y 1 A LYS 98  ? CE  ? A LYS 102 CE  
15 1 Y 1 A LYS 98  ? NZ  ? A LYS 102 NZ  
16 1 Y 1 A LYS 101 ? CD  ? A LYS 105 CD  
17 1 Y 1 A LYS 101 ? CE  ? A LYS 105 CE  
18 1 Y 1 A LYS 101 ? NZ  ? A LYS 105 NZ  
19 1 Y 1 A GLU 103 ? CG  ? A GLU 107 CG  
20 1 Y 1 A GLU 103 ? CD  ? A GLU 107 CD  
21 1 Y 1 A GLU 103 ? OE1 ? A GLU 107 OE1 
22 1 Y 1 A GLU 103 ? OE2 ? A GLU 107 OE2 
23 1 Y 1 A LYS 106 ? CE  ? A LYS 110 CE  
24 1 Y 1 A LYS 106 ? NZ  ? A LYS 110 NZ  
25 1 Y 1 A ASP 127 ? CG  ? A ASP 131 CG  
26 1 Y 1 A ASP 127 ? OD1 ? A ASP 131 OD1 
27 1 Y 1 A ASP 127 ? OD2 ? A ASP 131 OD2 
# 
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          ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? .        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                     9GVX 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     58.305 
_cell.length_a_esd                 ? 
_cell.length_b                     58.305 
_cell.length_b_esd                 ? 
_cell.length_c                     101.735 
_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                         9GVX 
_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                   9GVX 
_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             3.22 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          61.77 
_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, SITTING 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         2022-02-09 
_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   0.97949 
_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        0.97949 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I04 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          48.5 
_reflns.entry_id                                       9GVX 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.10 
_reflns.d_resolution_low                               101.74 
_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                                     12211 
_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                                6.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          14.7 
_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                                0.065 
_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                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.060 
_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                                    2.10 
_reflns_shell.d_res_low                                     2.21 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.3 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1716 
_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                               6.8 
_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                               0.905 
_reflns_shell.pdbx_Rpim_I_all                               0.341 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.852 
_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                                  0.836 
_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]                            -0.01 
_refine.aniso_B[1][2]                            -0.00 
_refine.aniso_B[1][3]                            -0.00 
_refine.aniso_B[2][2]                            -0.01 
_refine.aniso_B[2][3]                            0.00 
_refine.aniso_B[3][3]                            0.03 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               55.545 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.963 
_refine.correlation_coeff_Fo_to_Fc_free          0.947 
_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                                 9GVX 
_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                            2.10 
_refine.ls_d_res_low                             45.27 
_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                     11576 
_refine.ls_number_reflns_R_free                  601 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.97 
_refine.ls_percent_reflns_R_free                 4.9 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.20361 
_refine.ls_R_factor_R_free                       0.25401 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.20115 
_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                       0.176 
_refine.pdbx_overall_ESU_R_Free                  0.172 
_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                             6.155 
_refine.overall_SU_ML                            0.152 
_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                        9GVX 
_refine_analyze.pdbx_refine_id                  'X-RAY DIFFRACTION' 
_refine_analyze.Luzzati_coordinate_error_free   ? 
_refine_analyze.Luzzati_coordinate_error_obs    0.2954 
_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                       2.10 
_refine_hist.d_res_low                        45.27 
_refine_hist.number_atoms_solvent             70 
_refine_hist.number_atoms_total               1158 
_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        1073 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         15 
_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  1115 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.634  1.657  1510 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 7.562  5.000  139  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 31.827 23.962 53   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 17.769 15.000 197  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 14.048 15.000 5    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.115  0.200  150  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  833  ? 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' ? 4.582  5.350  553  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 5.979  7.991  690  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 6.623  5.822  561  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 10.451 72.602 1649 ? 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                       2.100 
_refine_ls_shell.d_res_low                        2.155 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             48 
_refine_ls_shell.number_reflns_R_work             824 
_refine_ls_shell.percent_reflns_obs               100.00 
_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                  0.324 
_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                  0.381 
# 
_struct.entry_id                     9GVX 
_struct.title                        
'M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 1e 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        9GVX 
_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              9GVX 
_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 9GVX GLY A 1   ? UNP P29373 ?   ?   'expression tag'      -3  1 
1 9GVX SER A 2   ? UNP P29373 ?   ?   'expression tag'      -2  2 
1 9GVX HIS A 3   ? UNP P29373 ?   ?   'expression tag'      -1  3 
1 9GVX TYR A 43  ? UNP P29373 PRO 40  'engineered mutation' 39  4 
1 9GVX VAL A 58  ? UNP P29373 THR 55  'engineered mutation' 54  5 
1 9GVX TYR A 63  ? UNP P29373 ARG 60  'engineered mutation' 59  6 
1 9GVX LYS A 115 ? UNP P29373 ARG 112 'engineered mutation' 111 7 
1 9GVX GLN A 136 ? UNP P29373 ARG 133 'engineered mutation' 132 8 
1 9GVX 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)' 500  ? 
1 MORE         -2   ? 
1 'SSA (A^2)'  7680 ? 
# 
_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           A1IQZ 
_struct_conn.ptnr2_label_seq_id            . 
_struct_conn.ptnr2_label_atom_id           CAI 
_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            A1IQZ 
_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               1.435 
_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                      A1IQZ 
_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                       A1IQZ 
_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               CAI 
_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                        A1IQZ 
_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 LYS A 57  ? O LYS A 53  N GLU A 46  ? N GLU A 42  
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                   9GVX 
_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 ASN A 2   ? ? -141.19 -149.35 
2 1 THR A 56  ? ? -119.66 -168.51 
3 1 GLU A 73  ? ? -145.11 -152.93 
4 1 SER A 89  ? ? -164.82 -166.27 
5 1 ASP A 126 ? ? 46.61   -113.11 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     367 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   C 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 368 ? 6.06 . 
2 1 O ? A HOH 369 ? 6.28 . 
3 1 O ? A HOH 370 ? 7.17 . 
# 
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 
A1IQZ CAM  C N N 1   
A1IQZ OAL  O N N 2   
A1IQZ CAJ  C N N 3   
A1IQZ OAK  O N N 4   
A1IQZ CAH  C N N 5   
A1IQZ CAI  C N N 6   
A1IQZ CAG  C N N 7   
A1IQZ CAD  C Y N 8   
A1IQZ CAC  C Y N 9   
A1IQZ CAA  C Y N 10  
A1IQZ CAB  C Y N 11  
A1IQZ CAN  C N N 12  
A1IQZ CAO  C N N 13  
A1IQZ CAF  C Y N 14  
A1IQZ CAE  C Y N 15  
A1IQZ H1   H N N 16  
A1IQZ H2   H N N 17  
A1IQZ H3   H N N 18  
A1IQZ H4   H N N 19  
A1IQZ H5   H N N 20  
A1IQZ H6   H N N 21  
A1IQZ H7   H N N 22  
A1IQZ H8   H N N 23  
A1IQZ H9   H N N 24  
A1IQZ H10  H N N 25  
A1IQZ H11  H N N 26  
A1IQZ H12  H N N 27  
ALA   N    N N N 28  
ALA   CA   C N S 29  
ALA   C    C N N 30  
ALA   O    O N N 31  
ALA   CB   C N N 32  
ALA   OXT  O N N 33  
ALA   H    H N N 34  
ALA   H2   H N N 35  
ALA   HA   H N N 36  
ALA   HB1  H N N 37  
ALA   HB2  H N N 38  
ALA   HB3  H N N 39  
ALA   HXT  H N N 40  
ARG   N    N N N 41  
ARG   CA   C N S 42  
ARG   C    C N N 43  
ARG   O    O N N 44  
ARG   CB   C N N 45  
ARG   CG   C N N 46  
ARG   CD   C N N 47  
ARG   NE   N N N 48  
ARG   CZ   C N N 49  
ARG   NH1  N N N 50  
ARG   NH2  N N N 51  
ARG   OXT  O N N 52  
ARG   H    H N N 53  
ARG   H2   H N N 54  
ARG   HA   H N N 55  
ARG   HB2  H N N 56  
ARG   HB3  H N N 57  
ARG   HG2  H N N 58  
ARG   HG3  H N N 59  
ARG   HD2  H N N 60  
ARG   HD3  H N N 61  
ARG   HE   H N N 62  
ARG   HH11 H N N 63  
ARG   HH12 H N N 64  
ARG   HH21 H N N 65  
ARG   HH22 H N N 66  
ARG   HXT  H N N 67  
ASN   N    N N N 68  
ASN   CA   C N S 69  
ASN   C    C N N 70  
ASN   O    O N N 71  
ASN   CB   C N N 72  
ASN   CG   C N N 73  
ASN   OD1  O N N 74  
ASN   ND2  N N N 75  
ASN   OXT  O N N 76  
ASN   H    H N N 77  
ASN   H2   H N N 78  
ASN   HA   H N N 79  
ASN   HB2  H N N 80  
ASN   HB3  H N N 81  
ASN   HD21 H N N 82  
ASN   HD22 H N N 83  
ASN   HXT  H N N 84  
ASP   N    N N N 85  
ASP   CA   C N S 86  
ASP   C    C N N 87  
ASP   O    O N N 88  
ASP   CB   C N N 89  
ASP   CG   C N N 90  
ASP   OD1  O N N 91  
ASP   OD2  O N N 92  
ASP   OXT  O N N 93  
ASP   H    H N N 94  
ASP   H2   H N N 95  
ASP   HA   H N N 96  
ASP   HB2  H N N 97  
ASP   HB3  H N N 98  
ASP   HD2  H N N 99  
ASP   HXT  H N N 100 
CYS   N    N N N 101 
CYS   CA   C N R 102 
CYS   C    C N N 103 
CYS   O    O N N 104 
CYS   CB   C N N 105 
CYS   SG   S N N 106 
CYS   OXT  O N N 107 
CYS   H    H N N 108 
CYS   H2   H N N 109 
CYS   HA   H N N 110 
CYS   HB2  H N N 111 
CYS   HB3  H N N 112 
CYS   HG   H N N 113 
CYS   HXT  H N N 114 
GLN   N    N N N 115 
GLN   CA   C N S 116 
GLN   C    C N N 117 
GLN   O    O N N 118 
GLN   CB   C N N 119 
GLN   CG   C N N 120 
GLN   CD   C N N 121 
GLN   OE1  O N N 122 
GLN   NE2  N N N 123 
GLN   OXT  O N N 124 
GLN   H    H N N 125 
GLN   H2   H N N 126 
GLN   HA   H N N 127 
GLN   HB2  H N N 128 
GLN   HB3  H N N 129 
GLN   HG2  H N N 130 
GLN   HG3  H N N 131 
GLN   HE21 H N N 132 
GLN   HE22 H N N 133 
GLN   HXT  H N N 134 
GLU   N    N N N 135 
GLU   CA   C N S 136 
GLU   C    C N N 137 
GLU   O    O N N 138 
GLU   CB   C N N 139 
GLU   CG   C N N 140 
GLU   CD   C N N 141 
GLU   OE1  O N N 142 
GLU   OE2  O N N 143 
GLU   OXT  O N N 144 
GLU   H    H N N 145 
GLU   H2   H N N 146 
GLU   HA   H N N 147 
GLU   HB2  H N N 148 
GLU   HB3  H N N 149 
GLU   HG2  H N N 150 
GLU   HG3  H N N 151 
GLU   HE2  H N N 152 
GLU   HXT  H N N 153 
GLY   N    N N N 154 
GLY   CA   C N N 155 
GLY   C    C N N 156 
GLY   O    O N N 157 
GLY   OXT  O N N 158 
GLY   H    H N N 159 
GLY   H2   H N N 160 
GLY   HA2  H N N 161 
GLY   HA3  H N N 162 
GLY   HXT  H N N 163 
HIS   N    N N N 164 
HIS   CA   C N S 165 
HIS   C    C N N 166 
HIS   O    O N N 167 
HIS   CB   C N N 168 
HIS   CG   C Y N 169 
HIS   ND1  N Y N 170 
HIS   CD2  C Y N 171 
HIS   CE1  C Y N 172 
HIS   NE2  N Y N 173 
HIS   OXT  O N N 174 
HIS   H    H N N 175 
HIS   H2   H N N 176 
HIS   HA   H N N 177 
HIS   HB2  H N N 178 
HIS   HB3  H N N 179 
HIS   HD1  H N N 180 
HIS   HD2  H N N 181 
HIS   HE1  H N N 182 
HIS   HE2  H N N 183 
HIS   HXT  H N N 184 
HOH   O    O N N 185 
HOH   H1   H N N 186 
HOH   H2   H N N 187 
ILE   N    N N N 188 
ILE   CA   C N S 189 
ILE   C    C N N 190 
ILE   O    O N N 191 
ILE   CB   C N S 192 
ILE   CG1  C N N 193 
ILE   CG2  C N N 194 
ILE   CD1  C N N 195 
ILE   OXT  O N N 196 
ILE   H    H N N 197 
ILE   H2   H N N 198 
ILE   HA   H N N 199 
ILE   HB   H N N 200 
ILE   HG12 H N N 201 
ILE   HG13 H N N 202 
ILE   HG21 H N N 203 
ILE   HG22 H N N 204 
ILE   HG23 H N N 205 
ILE   HD11 H N N 206 
ILE   HD12 H N N 207 
ILE   HD13 H N N 208 
ILE   HXT  H N N 209 
LEU   N    N N N 210 
LEU   CA   C N S 211 
LEU   C    C N N 212 
LEU   O    O N N 213 
LEU   CB   C N N 214 
LEU   CG   C N N 215 
LEU   CD1  C N N 216 
LEU   CD2  C N N 217 
LEU   OXT  O N N 218 
LEU   H    H N N 219 
LEU   H2   H N N 220 
LEU   HA   H N N 221 
LEU   HB2  H N N 222 
LEU   HB3  H N N 223 
LEU   HG   H N N 224 
LEU   HD11 H N N 225 
LEU   HD12 H N N 226 
LEU   HD13 H N N 227 
LEU   HD21 H N N 228 
LEU   HD22 H N N 229 
LEU   HD23 H N N 230 
LEU   HXT  H N N 231 
LYS   N    N N N 232 
LYS   CA   C N S 233 
LYS   C    C N N 234 
LYS   O    O N N 235 
LYS   CB   C N N 236 
LYS   CG   C N N 237 
LYS   CD   C N N 238 
LYS   CE   C N N 239 
LYS   NZ   N N N 240 
LYS   OXT  O N N 241 
LYS   H    H N N 242 
LYS   H2   H N N 243 
LYS   HA   H N N 244 
LYS   HB2  H N N 245 
LYS   HB3  H N N 246 
LYS   HG2  H N N 247 
LYS   HG3  H N N 248 
LYS   HD2  H N N 249 
LYS   HD3  H N N 250 
LYS   HE2  H N N 251 
LYS   HE3  H N N 252 
LYS   HZ1  H N N 253 
LYS   HZ2  H N N 254 
LYS   HZ3  H N N 255 
LYS   HXT  H N N 256 
MET   N    N N N 257 
MET   CA   C N S 258 
MET   C    C N N 259 
MET   O    O N N 260 
MET   CB   C N N 261 
MET   CG   C N N 262 
MET   SD   S N N 263 
MET   CE   C N N 264 
MET   OXT  O N N 265 
MET   H    H N N 266 
MET   H2   H N N 267 
MET   HA   H N N 268 
MET   HB2  H N N 269 
MET   HB3  H N N 270 
MET   HG2  H N N 271 
MET   HG3  H N N 272 
MET   HE1  H N N 273 
MET   HE2  H N N 274 
MET   HE3  H N N 275 
MET   HXT  H N N 276 
PHE   N    N N N 277 
PHE   CA   C N S 278 
PHE   C    C N N 279 
PHE   O    O N N 280 
PHE   CB   C N N 281 
PHE   CG   C Y N 282 
PHE   CD1  C Y N 283 
PHE   CD2  C Y N 284 
PHE   CE1  C Y N 285 
PHE   CE2  C Y N 286 
PHE   CZ   C Y N 287 
PHE   OXT  O N N 288 
PHE   H    H N N 289 
PHE   H2   H N N 290 
PHE   HA   H N N 291 
PHE   HB2  H N N 292 
PHE   HB3  H N N 293 
PHE   HD1  H N N 294 
PHE   HD2  H N N 295 
PHE   HE1  H N N 296 
PHE   HE2  H N N 297 
PHE   HZ   H N N 298 
PHE   HXT  H N N 299 
PRO   N    N N N 300 
PRO   CA   C N S 301 
PRO   C    C N N 302 
PRO   O    O N N 303 
PRO   CB   C N N 304 
PRO   CG   C N N 305 
PRO   CD   C N N 306 
PRO   OXT  O N N 307 
PRO   H    H N N 308 
PRO   HA   H N N 309 
PRO   HB2  H N N 310 
PRO   HB3  H N N 311 
PRO   HG2  H N N 312 
PRO   HG3  H N N 313 
PRO   HD2  H N N 314 
PRO   HD3  H N N 315 
PRO   HXT  H N N 316 
SER   N    N N N 317 
SER   CA   C N S 318 
SER   C    C N N 319 
SER   O    O N N 320 
SER   CB   C N N 321 
SER   OG   O N N 322 
SER   OXT  O N N 323 
SER   H    H N N 324 
SER   H2   H N N 325 
SER   HA   H N N 326 
SER   HB2  H N N 327 
SER   HB3  H N N 328 
SER   HG   H N N 329 
SER   HXT  H N N 330 
THR   N    N N N 331 
THR   CA   C N S 332 
THR   C    C N N 333 
THR   O    O N N 334 
THR   CB   C N R 335 
THR   OG1  O N N 336 
THR   CG2  C N N 337 
THR   OXT  O N N 338 
THR   H    H N N 339 
THR   H2   H N N 340 
THR   HA   H N N 341 
THR   HB   H N N 342 
THR   HG1  H N N 343 
THR   HG21 H N N 344 
THR   HG22 H N N 345 
THR   HG23 H N N 346 
THR   HXT  H N N 347 
TRP   N    N N N 348 
TRP   CA   C N S 349 
TRP   C    C N N 350 
TRP   O    O N N 351 
TRP   CB   C N N 352 
TRP   CG   C Y N 353 
TRP   CD1  C Y N 354 
TRP   CD2  C Y N 355 
TRP   NE1  N Y N 356 
TRP   CE2  C Y N 357 
TRP   CE3  C Y N 358 
TRP   CZ2  C Y N 359 
TRP   CZ3  C Y N 360 
TRP   CH2  C Y N 361 
TRP   OXT  O N N 362 
TRP   H    H N N 363 
TRP   H2   H N N 364 
TRP   HA   H N N 365 
TRP   HB2  H N N 366 
TRP   HB3  H N N 367 
TRP   HD1  H N N 368 
TRP   HE1  H N N 369 
TRP   HE3  H N N 370 
TRP   HZ2  H N N 371 
TRP   HZ3  H N N 372 
TRP   HH2  H N N 373 
TRP   HXT  H N N 374 
TYR   N    N N N 375 
TYR   CA   C N S 376 
TYR   C    C N N 377 
TYR   O    O N N 378 
TYR   CB   C N N 379 
TYR   CG   C Y N 380 
TYR   CD1  C Y N 381 
TYR   CD2  C Y N 382 
TYR   CE1  C Y N 383 
TYR   CE2  C Y N 384 
TYR   CZ   C Y N 385 
TYR   OH   O N N 386 
TYR   OXT  O N N 387 
TYR   H    H N N 388 
TYR   H2   H N N 389 
TYR   HA   H N N 390 
TYR   HB2  H N N 391 
TYR   HB3  H N N 392 
TYR   HD1  H N N 393 
TYR   HD2  H N N 394 
TYR   HE1  H N N 395 
TYR   HE2  H N N 396 
TYR   HH   H N N 397 
TYR   HXT  H N N 398 
VAL   N    N N N 399 
VAL   CA   C N S 400 
VAL   C    C N N 401 
VAL   O    O N N 402 
VAL   CB   C N N 403 
VAL   CG1  C N N 404 
VAL   CG2  C N N 405 
VAL   OXT  O N N 406 
VAL   H    H N N 407 
VAL   H2   H N N 408 
VAL   HA   H N N 409 
VAL   HB   H N N 410 
VAL   HG11 H N N 411 
VAL   HG12 H N N 412 
VAL   HG13 H N N 413 
VAL   HG21 H N N 414 
VAL   HG22 H N N 415 
VAL   HG23 H N N 416 
VAL   HXT  H N N 417 
# 
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 
A1IQZ CAI CAH  sing N N 1   
A1IQZ OAK CAJ  doub N N 2   
A1IQZ CAH CAJ  sing N N 3   
A1IQZ CAH CAG  doub N Z 4   
A1IQZ CAJ OAL  sing N N 5   
A1IQZ CAG CAD  sing N N 6   
A1IQZ OAL CAM  sing N N 7   
A1IQZ CAE CAD  doub Y N 8   
A1IQZ CAE CAF  sing Y N 9   
A1IQZ CAD CAC  sing Y N 10  
A1IQZ CAF CAB  doub Y N 11  
A1IQZ CAC CAA  doub Y N 12  
A1IQZ CAB CAA  sing Y N 13  
A1IQZ CAB CAN  sing N N 14  
A1IQZ CAN CAO  trip N N 15  
A1IQZ CAM H1   sing N N 16  
A1IQZ CAM H2   sing N N 17  
A1IQZ CAM H3   sing N N 18  
A1IQZ CAI H4   sing N N 19  
A1IQZ CAI H5   sing N N 20  
A1IQZ CAI H6   sing N N 21  
A1IQZ CAG H7   sing N N 22  
A1IQZ CAC H8   sing N N 23  
A1IQZ CAA H9   sing N N 24  
A1IQZ CAO H10  sing N N 25  
A1IQZ CAF H11  sing N N 26  
A1IQZ CAE H12  sing N N 27  
ALA   N   CA   sing N N 28  
ALA   N   H    sing N N 29  
ALA   N   H2   sing N N 30  
ALA   CA  C    sing N N 31  
ALA   CA  CB   sing N N 32  
ALA   CA  HA   sing N N 33  
ALA   C   O    doub N N 34  
ALA   C   OXT  sing N N 35  
ALA   CB  HB1  sing N N 36  
ALA   CB  HB2  sing N N 37  
ALA   CB  HB3  sing N N 38  
ALA   OXT HXT  sing N N 39  
ARG   N   CA   sing N N 40  
ARG   N   H    sing N N 41  
ARG   N   H2   sing N N 42  
ARG   CA  C    sing N N 43  
ARG   CA  CB   sing N N 44  
ARG   CA  HA   sing N N 45  
ARG   C   O    doub N N 46  
ARG   C   OXT  sing N N 47  
ARG   CB  CG   sing N N 48  
ARG   CB  HB2  sing N N 49  
ARG   CB  HB3  sing N N 50  
ARG   CG  CD   sing N N 51  
ARG   CG  HG2  sing N N 52  
ARG   CG  HG3  sing N N 53  
ARG   CD  NE   sing N N 54  
ARG   CD  HD2  sing N N 55  
ARG   CD  HD3  sing N N 56  
ARG   NE  CZ   sing N N 57  
ARG   NE  HE   sing N N 58  
ARG   CZ  NH1  sing N N 59  
ARG   CZ  NH2  doub N N 60  
ARG   NH1 HH11 sing N N 61  
ARG   NH1 HH12 sing N N 62  
ARG   NH2 HH21 sing N N 63  
ARG   NH2 HH22 sing N N 64  
ARG   OXT HXT  sing N N 65  
ASN   N   CA   sing N N 66  
ASN   N   H    sing N N 67  
ASN   N   H2   sing N N 68  
ASN   CA  C    sing N N 69  
ASN   CA  CB   sing N N 70  
ASN   CA  HA   sing N N 71  
ASN   C   O    doub N N 72  
ASN   C   OXT  sing N N 73  
ASN   CB  CG   sing N N 74  
ASN   CB  HB2  sing N N 75  
ASN   CB  HB3  sing N N 76  
ASN   CG  OD1  doub N N 77  
ASN   CG  ND2  sing N N 78  
ASN   ND2 HD21 sing N N 79  
ASN   ND2 HD22 sing N N 80  
ASN   OXT HXT  sing N N 81  
ASP   N   CA   sing N N 82  
ASP   N   H    sing N N 83  
ASP   N   H2   sing N N 84  
ASP   CA  C    sing N N 85  
ASP   CA  CB   sing N N 86  
ASP   CA  HA   sing N N 87  
ASP   C   O    doub N N 88  
ASP   C   OXT  sing N N 89  
ASP   CB  CG   sing N N 90  
ASP   CB  HB2  sing N N 91  
ASP   CB  HB3  sing N N 92  
ASP   CG  OD1  doub N N 93  
ASP   CG  OD2  sing N N 94  
ASP   OD2 HD2  sing N N 95  
ASP   OXT HXT  sing N N 96  
CYS   N   CA   sing N N 97  
CYS   N   H    sing N N 98  
CYS   N   H2   sing N N 99  
CYS   CA  C    sing N N 100 
CYS   CA  CB   sing N N 101 
CYS   CA  HA   sing N N 102 
CYS   C   O    doub N N 103 
CYS   C   OXT  sing N N 104 
CYS   CB  SG   sing N N 105 
CYS   CB  HB2  sing N N 106 
CYS   CB  HB3  sing N N 107 
CYS   SG  HG   sing N N 108 
CYS   OXT HXT  sing N N 109 
GLN   N   CA   sing N N 110 
GLN   N   H    sing N N 111 
GLN   N   H2   sing N N 112 
GLN   CA  C    sing N N 113 
GLN   CA  CB   sing N N 114 
GLN   CA  HA   sing N N 115 
GLN   C   O    doub N N 116 
GLN   C   OXT  sing N N 117 
GLN   CB  CG   sing N N 118 
GLN   CB  HB2  sing N N 119 
GLN   CB  HB3  sing N N 120 
GLN   CG  CD   sing N N 121 
GLN   CG  HG2  sing N N 122 
GLN   CG  HG3  sing N N 123 
GLN   CD  OE1  doub N N 124 
GLN   CD  NE2  sing N N 125 
GLN   NE2 HE21 sing N N 126 
GLN   NE2 HE22 sing N N 127 
GLN   OXT HXT  sing N N 128 
GLU   N   CA   sing N N 129 
GLU   N   H    sing N N 130 
GLU   N   H2   sing N N 131 
GLU   CA  C    sing N N 132 
GLU   CA  CB   sing N N 133 
GLU   CA  HA   sing N N 134 
GLU   C   O    doub N N 135 
GLU   C   OXT  sing N N 136 
GLU   CB  CG   sing N N 137 
GLU   CB  HB2  sing N N 138 
GLU   CB  HB3  sing N N 139 
GLU   CG  CD   sing N N 140 
GLU   CG  HG2  sing N N 141 
GLU   CG  HG3  sing N N 142 
GLU   CD  OE1  doub N N 143 
GLU   CD  OE2  sing N N 144 
GLU   OE2 HE2  sing N N 145 
GLU   OXT HXT  sing N N 146 
GLY   N   CA   sing N N 147 
GLY   N   H    sing N N 148 
GLY   N   H2   sing N N 149 
GLY   CA  C    sing N N 150 
GLY   CA  HA2  sing N N 151 
GLY   CA  HA3  sing N N 152 
GLY   C   O    doub N N 153 
GLY   C   OXT  sing N N 154 
GLY   OXT HXT  sing N N 155 
HIS   N   CA   sing N N 156 
HIS   N   H    sing N N 157 
HIS   N   H2   sing N N 158 
HIS   CA  C    sing N N 159 
HIS   CA  CB   sing N N 160 
HIS   CA  HA   sing N N 161 
HIS   C   O    doub N N 162 
HIS   C   OXT  sing N N 163 
HIS   CB  CG   sing N N 164 
HIS   CB  HB2  sing N N 165 
HIS   CB  HB3  sing N N 166 
HIS   CG  ND1  sing Y N 167 
HIS   CG  CD2  doub Y N 168 
HIS   ND1 CE1  doub Y N 169 
HIS   ND1 HD1  sing N N 170 
HIS   CD2 NE2  sing Y N 171 
HIS   CD2 HD2  sing N N 172 
HIS   CE1 NE2  sing Y N 173 
HIS   CE1 HE1  sing N N 174 
HIS   NE2 HE2  sing N N 175 
HIS   OXT HXT  sing N N 176 
HOH   O   H1   sing N N 177 
HOH   O   H2   sing N N 178 
ILE   N   CA   sing N N 179 
ILE   N   H    sing N N 180 
ILE   N   H2   sing N N 181 
ILE   CA  C    sing N N 182 
ILE   CA  CB   sing N N 183 
ILE   CA  HA   sing N N 184 
ILE   C   O    doub N N 185 
ILE   C   OXT  sing N N 186 
ILE   CB  CG1  sing N N 187 
ILE   CB  CG2  sing N N 188 
ILE   CB  HB   sing N N 189 
ILE   CG1 CD1  sing N N 190 
ILE   CG1 HG12 sing N N 191 
ILE   CG1 HG13 sing N N 192 
ILE   CG2 HG21 sing N N 193 
ILE   CG2 HG22 sing N N 194 
ILE   CG2 HG23 sing N N 195 
ILE   CD1 HD11 sing N N 196 
ILE   CD1 HD12 sing N N 197 
ILE   CD1 HD13 sing N N 198 
ILE   OXT HXT  sing N N 199 
LEU   N   CA   sing N N 200 
LEU   N   H    sing N N 201 
LEU   N   H2   sing N N 202 
LEU   CA  C    sing N N 203 
LEU   CA  CB   sing N N 204 
LEU   CA  HA   sing N N 205 
LEU   C   O    doub N N 206 
LEU   C   OXT  sing N N 207 
LEU   CB  CG   sing N N 208 
LEU   CB  HB2  sing N N 209 
LEU   CB  HB3  sing N N 210 
LEU   CG  CD1  sing N N 211 
LEU   CG  CD2  sing N N 212 
LEU   CG  HG   sing N N 213 
LEU   CD1 HD11 sing N N 214 
LEU   CD1 HD12 sing N N 215 
LEU   CD1 HD13 sing N N 216 
LEU   CD2 HD21 sing N N 217 
LEU   CD2 HD22 sing N N 218 
LEU   CD2 HD23 sing N N 219 
LEU   OXT HXT  sing N N 220 
LYS   N   CA   sing N N 221 
LYS   N   H    sing N N 222 
LYS   N   H2   sing N N 223 
LYS   CA  C    sing N N 224 
LYS   CA  CB   sing N N 225 
LYS   CA  HA   sing N N 226 
LYS   C   O    doub N N 227 
LYS   C   OXT  sing N N 228 
LYS   CB  CG   sing N N 229 
LYS   CB  HB2  sing N N 230 
LYS   CB  HB3  sing N N 231 
LYS   CG  CD   sing N N 232 
LYS   CG  HG2  sing N N 233 
LYS   CG  HG3  sing N N 234 
LYS   CD  CE   sing N N 235 
LYS   CD  HD2  sing N N 236 
LYS   CD  HD3  sing N N 237 
LYS   CE  NZ   sing N N 238 
LYS   CE  HE2  sing N N 239 
LYS   CE  HE3  sing N N 240 
LYS   NZ  HZ1  sing N N 241 
LYS   NZ  HZ2  sing N N 242 
LYS   NZ  HZ3  sing N N 243 
LYS   OXT HXT  sing N N 244 
MET   N   CA   sing N N 245 
MET   N   H    sing N N 246 
MET   N   H2   sing N N 247 
MET   CA  C    sing N N 248 
MET   CA  CB   sing N N 249 
MET   CA  HA   sing N N 250 
MET   C   O    doub N N 251 
MET   C   OXT  sing N N 252 
MET   CB  CG   sing N N 253 
MET   CB  HB2  sing N N 254 
MET   CB  HB3  sing N N 255 
MET   CG  SD   sing N N 256 
MET   CG  HG2  sing N N 257 
MET   CG  HG3  sing N N 258 
MET   SD  CE   sing N N 259 
MET   CE  HE1  sing N N 260 
MET   CE  HE2  sing N N 261 
MET   CE  HE3  sing N N 262 
MET   OXT HXT  sing N N 263 
PHE   N   CA   sing N N 264 
PHE   N   H    sing N N 265 
PHE   N   H2   sing N N 266 
PHE   CA  C    sing N N 267 
PHE   CA  CB   sing N N 268 
PHE   CA  HA   sing N N 269 
PHE   C   O    doub N N 270 
PHE   C   OXT  sing N N 271 
PHE   CB  CG   sing N N 272 
PHE   CB  HB2  sing N N 273 
PHE   CB  HB3  sing N N 274 
PHE   CG  CD1  doub Y N 275 
PHE   CG  CD2  sing Y N 276 
PHE   CD1 CE1  sing Y N 277 
PHE   CD1 HD1  sing N N 278 
PHE   CD2 CE2  doub Y N 279 
PHE   CD2 HD2  sing N N 280 
PHE   CE1 CZ   doub Y N 281 
PHE   CE1 HE1  sing N N 282 
PHE   CE2 CZ   sing Y N 283 
PHE   CE2 HE2  sing N N 284 
PHE   CZ  HZ   sing N N 285 
PHE   OXT HXT  sing N N 286 
PRO   N   CA   sing N N 287 
PRO   N   CD   sing N N 288 
PRO   N   H    sing N N 289 
PRO   CA  C    sing N N 290 
PRO   CA  CB   sing N N 291 
PRO   CA  HA   sing N N 292 
PRO   C   O    doub N N 293 
PRO   C   OXT  sing N N 294 
PRO   CB  CG   sing N N 295 
PRO   CB  HB2  sing N N 296 
PRO   CB  HB3  sing N N 297 
PRO   CG  CD   sing N N 298 
PRO   CG  HG2  sing N N 299 
PRO   CG  HG3  sing N N 300 
PRO   CD  HD2  sing N N 301 
PRO   CD  HD3  sing N N 302 
PRO   OXT HXT  sing N N 303 
SER   N   CA   sing N N 304 
SER   N   H    sing N N 305 
SER   N   H2   sing N N 306 
SER   CA  C    sing N N 307 
SER   CA  CB   sing N N 308 
SER   CA  HA   sing N N 309 
SER   C   O    doub N N 310 
SER   C   OXT  sing N N 311 
SER   CB  OG   sing N N 312 
SER   CB  HB2  sing N N 313 
SER   CB  HB3  sing N N 314 
SER   OG  HG   sing N N 315 
SER   OXT HXT  sing N N 316 
THR   N   CA   sing N N 317 
THR   N   H    sing N N 318 
THR   N   H2   sing N N 319 
THR   CA  C    sing N N 320 
THR   CA  CB   sing N N 321 
THR   CA  HA   sing N N 322 
THR   C   O    doub N N 323 
THR   C   OXT  sing N N 324 
THR   CB  OG1  sing N N 325 
THR   CB  CG2  sing N N 326 
THR   CB  HB   sing N N 327 
THR   OG1 HG1  sing N N 328 
THR   CG2 HG21 sing N N 329 
THR   CG2 HG22 sing N N 330 
THR   CG2 HG23 sing N N 331 
THR   OXT HXT  sing N N 332 
TRP   N   CA   sing N N 333 
TRP   N   H    sing N N 334 
TRP   N   H2   sing N N 335 
TRP   CA  C    sing N N 336 
TRP   CA  CB   sing N N 337 
TRP   CA  HA   sing N N 338 
TRP   C   O    doub N N 339 
TRP   C   OXT  sing N N 340 
TRP   CB  CG   sing N N 341 
TRP   CB  HB2  sing N N 342 
TRP   CB  HB3  sing N N 343 
TRP   CG  CD1  doub Y N 344 
TRP   CG  CD2  sing Y N 345 
TRP   CD1 NE1  sing Y N 346 
TRP   CD1 HD1  sing N N 347 
TRP   CD2 CE2  doub Y N 348 
TRP   CD2 CE3  sing Y N 349 
TRP   NE1 CE2  sing Y N 350 
TRP   NE1 HE1  sing N N 351 
TRP   CE2 CZ2  sing Y N 352 
TRP   CE3 CZ3  doub Y N 353 
TRP   CE3 HE3  sing N N 354 
TRP   CZ2 CH2  doub Y N 355 
TRP   CZ2 HZ2  sing N N 356 
TRP   CZ3 CH2  sing Y N 357 
TRP   CZ3 HZ3  sing N N 358 
TRP   CH2 HH2  sing N N 359 
TRP   OXT HXT  sing N N 360 
TYR   N   CA   sing N N 361 
TYR   N   H    sing N N 362 
TYR   N   H2   sing N N 363 
TYR   CA  C    sing N N 364 
TYR   CA  CB   sing N N 365 
TYR   CA  HA   sing N N 366 
TYR   C   O    doub N N 367 
TYR   C   OXT  sing N N 368 
TYR   CB  CG   sing N N 369 
TYR   CB  HB2  sing N N 370 
TYR   CB  HB3  sing N N 371 
TYR   CG  CD1  doub Y N 372 
TYR   CG  CD2  sing Y N 373 
TYR   CD1 CE1  sing Y N 374 
TYR   CD1 HD1  sing N N 375 
TYR   CD2 CE2  doub Y N 376 
TYR   CD2 HD2  sing N N 377 
TYR   CE1 CZ   doub Y N 378 
TYR   CE1 HE1  sing N N 379 
TYR   CE2 CZ   sing Y N 380 
TYR   CE2 HE2  sing N N 381 
TYR   CZ  OH   sing N N 382 
TYR   OH  HH   sing N N 383 
TYR   OXT HXT  sing N N 384 
VAL   N   CA   sing N N 385 
VAL   N   H    sing N N 386 
VAL   N   H2   sing N N 387 
VAL   CA  C    sing N N 388 
VAL   CA  CB   sing N N 389 
VAL   CA  HA   sing N N 390 
VAL   C   O    doub N N 391 
VAL   C   OXT  sing N N 392 
VAL   CB  CG1  sing N N 393 
VAL   CB  CG2  sing N N 394 
VAL   CB  HB   sing N N 395 
VAL   CG1 HG11 sing N N 396 
VAL   CG1 HG12 sing N N 397 
VAL   CG1 HG13 sing N N 398 
VAL   CG2 HG21 sing N N 399 
VAL   CG2 HG22 sing N N 400 
VAL   CG2 HG23 sing N N 401 
VAL   OXT HXT  sing N N 402 
# 
_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                    9GVX 
_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]   0.017151 
_atom_sites.fract_transf_matrix[1][2]   0.009902 
_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]   0.019804 
_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]   0.009829 
_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   ? 29.265 -7.588  -28.746 1.00 83.38  ? 0   MET   A N   1 
ATOM   2    C CA  . MET   A 1 4   ? 28.144 -7.229  -27.822 1.00 94.08  ? 0   MET   A CA  1 
ATOM   3    C C   . MET   A 1 4   ? 28.246 -8.057  -26.544 1.00 96.74  ? 0   MET   A C   1 
ATOM   4    O O   . MET   A 1 4   ? 28.672 -9.213  -26.594 1.00 85.67  ? 0   MET   A O   1 
ATOM   5    C CB  . MET   A 1 4   ? 26.783 -7.496  -28.470 1.00 89.85  ? 0   MET   A CB  1 
ATOM   6    C CG  . MET   A 1 4   ? 26.226 -6.273  -29.165 1.00 102.79 ? 0   MET   A CG  1 
ATOM   7    S SD  . MET   A 1 4   ? 24.879 -6.665  -30.319 1.00 98.10  ? 0   MET   A SD  1 
ATOM   8    C CE  . MET   A 1 4   ? 23.437 -6.261  -29.326 1.00 84.78  ? 0   MET   A CE  1 
ATOM   9    N N   . PRO   A 1 5   ? 27.828 -7.498  -25.377 1.00 100.75 ? 1   PRO   A N   1 
ATOM   10   C CA  . PRO   A 1 5   ? 27.965 -8.183  -24.084 1.00 95.88  ? 1   PRO   A CA  1 
ATOM   11   C C   . PRO   A 1 5   ? 27.116 -9.450  -23.919 1.00 83.93  ? 1   PRO   A C   1 
ATOM   12   O O   . PRO   A 1 5   ? 25.901 -9.445  -24.110 1.00 84.67  ? 1   PRO   A O   1 
ATOM   13   C CB  . PRO   A 1 5   ? 27.582 -7.097  -23.059 1.00 90.25  ? 1   PRO   A CB  1 
ATOM   14   C CG  . PRO   A 1 5   ? 26.646 -6.187  -23.827 1.00 88.25  ? 1   PRO   A CG  1 
ATOM   15   C CD  . PRO   A 1 5   ? 27.196 -6.172  -25.240 1.00 91.36  ? 1   PRO   A CD  1 
ATOM   16   N N   . ASN   A 1 6   ? 27.790 -10.543 -23.561 1.00 64.99  ? 2   ASN   A N   1 
ATOM   17   C CA  . ASN   A 1 6   ? 27.153 -11.802 -23.223 1.00 57.61  ? 2   ASN   A CA  1 
ATOM   18   C C   . ASN   A 1 6   ? 27.924 -12.414 -22.045 1.00 53.72  ? 2   ASN   A C   1 
ATOM   19   O O   . ASN   A 1 6   ? 28.506 -11.680 -21.245 1.00 54.41  ? 2   ASN   A O   1 
ATOM   20   C CB  . ASN   A 1 6   ? 26.978 -12.664 -24.481 1.00 51.56  ? 2   ASN   A CB  1 
ATOM   21   C CG  . ASN   A 1 6   ? 28.272 -12.944 -25.219 1.00 55.82  ? 2   ASN   A CG  1 
ATOM   22   O OD1 . ASN   A 1 6   ? 29.364 -12.811 -24.655 1.00 57.64  ? 2   ASN   A OD1 1 
ATOM   23   N ND2 . ASN   A 1 6   ? 28.170 -13.407 -26.463 1.00 49.29  ? 2   ASN   A ND2 1 
ATOM   24   N N   . PHE   A 1 7   ? 27.968 -13.750 -21.953 1.00 48.54  ? 3   PHE   A N   1 
ATOM   25   C CA  . PHE   A 1 7   ? 28.689 -14.407 -20.863 1.00 44.60  ? 3   PHE   A CA  1 
ATOM   26   C C   . PHE   A 1 7   ? 30.190 -14.192 -21.017 1.00 42.57  ? 3   PHE   A C   1 
ATOM   27   O O   . PHE   A 1 7   ? 30.906 -14.307 -20.040 1.00 55.00  ? 3   PHE   A O   1 
ATOM   28   C CB  . PHE   A 1 7   ? 28.379 -15.902 -20.777 1.00 43.31  ? 3   PHE   A CB  1 
ATOM   29   C CG  . PHE   A 1 7   ? 27.043 -16.245 -20.180 1.00 46.41  ? 3   PHE   A CG  1 
ATOM   30   C CD1 . PHE   A 1 7   ? 25.894 -16.244 -20.958 1.00 47.61  ? 3   PHE   A CD1 1 
ATOM   31   C CD2 . PHE   A 1 7   ? 26.923 -16.504 -18.822 1.00 44.57  ? 3   PHE   A CD2 1 
ATOM   32   C CE1 . PHE   A 1 7   ? 24.666 -16.570 -20.393 1.00 42.73  ? 3   PHE   A CE1 1 
ATOM   33   C CE2 . PHE   A 1 7   ? 25.692 -16.807 -18.260 1.00 41.46  ? 3   PHE   A CE2 1 
ATOM   34   C CZ  . PHE   A 1 7   ? 24.572 -16.863 -19.051 1.00 39.48  ? 3   PHE   A CZ  1 
ATOM   35   N N   . SER   A 1 8   ? 30.644 -13.882 -22.239 1.00 41.24  ? 4   SER   A N   1 
ATOM   36   C CA  . SER   A 1 8   ? 32.058 -13.802 -22.578 1.00 44.36  ? 4   SER   A CA  1 
ATOM   37   C C   . SER   A 1 8   ? 32.753 -12.857 -21.619 1.00 49.98  ? 4   SER   A C   1 
ATOM   38   O O   . SER   A 1 8   ? 32.255 -11.771 -21.363 1.00 50.56  ? 4   SER   A O   1 
ATOM   39   C CB  . SER   A 1 8   ? 32.259 -13.322 -23.996 1.00 48.42  ? 4   SER   A CB  1 
ATOM   40   O OG  . SER   A 1 8   ? 32.121 -14.428 -24.863 1.00 53.70  ? 4   SER   A OG  1 
ATOM   41   N N   . GLY   A 1 9   ? 33.888 -13.277 -21.067 1.00 45.42  ? 5   GLY   A N   1 
ATOM   42   C CA  . GLY   A 1 9   ? 34.617 -12.319 -20.254 1.00 52.34  ? 5   GLY   A CA  1 
ATOM   43   C C   . GLY   A 1 9   ? 35.524 -13.007 -19.247 1.00 49.92  ? 5   GLY   A C   1 
ATOM   44   O O   . GLY   A 1 9   ? 35.640 -14.236 -19.248 1.00 43.36  ? 5   GLY   A O   1 
ATOM   45   N N   . ASN   A 1 10  ? 36.123 -12.168 -18.398 1.00 45.19  ? 6   ASN   A N   1 
ATOM   46   C CA  . ASN   A 1 10  ? 37.004 -12.598 -17.336 1.00 45.31  ? 6   ASN   A CA  1 
ATOM   47   C C   . ASN   A 1 10  ? 36.292 -12.181 -16.078 1.00 51.37  ? 6   ASN   A C   1 
ATOM   48   O O   . ASN   A 1 10  ? 35.993 -10.994 -15.915 1.00 48.63  ? 6   ASN   A O   1 
ATOM   49   C CB  . ASN   A 1 10  ? 38.370 -11.915 -17.429 1.00 48.28  ? 6   ASN   A CB  1 
ATOM   50   C CG  . ASN   A 1 10  ? 39.091 -12.374 -18.674 1.00 53.62  ? 6   ASN   A CG  1 
ATOM   51   O OD1 . ASN   A 1 10  ? 39.577 -13.496 -18.739 1.00 59.38  ? 6   ASN   A OD1 1 
ATOM   52   N ND2 . ASN   A 1 10  ? 39.111 -11.533 -19.693 1.00 66.13  ? 6   ASN   A ND2 1 
ATOM   53   N N   . TRP   A 1 11  ? 35.967 -13.183 -15.260 1.00 47.22  ? 7   TRP   A N   1 
ATOM   54   C CA  . TRP   A 1 11  ? 35.123 -12.946 -14.107 1.00 45.28  ? 7   TRP   A CA  1 
ATOM   55   C C   . TRP   A 1 11  ? 35.910 -13.268 -12.842 1.00 45.96  ? 7   TRP   A C   1 
ATOM   56   O O   . TRP   A 1 11  ? 36.719 -14.192 -12.831 1.00 48.05  ? 7   TRP   A O   1 
ATOM   57   C CB  . TRP   A 1 11  ? 33.847 -13.780 -14.234 1.00 42.96  ? 7   TRP   A CB  1 
ATOM   58   C CG  . TRP   A 1 11  ? 32.983 -13.450 -15.418 1.00 45.74  ? 7   TRP   A CG  1 
ATOM   59   C CD1 . TRP   A 1 11  ? 33.024 -14.004 -16.667 1.00 49.47  ? 7   TRP   A CD1 1 
ATOM   60   C CD2 . TRP   A 1 11  ? 31.910 -12.492 -15.448 1.00 41.00  ? 7   TRP   A CD2 1 
ATOM   61   N NE1 . TRP   A 1 11  ? 32.037 -13.474 -17.462 1.00 45.74  ? 7   TRP   A NE1 1 
ATOM   62   C CE2 . TRP   A 1 11  ? 31.331 -12.547 -16.732 1.00 44.68  ? 7   TRP   A CE2 1 
ATOM   63   C CE3 . TRP   A 1 11  ? 31.362 -11.628 -14.492 1.00 43.96  ? 7   TRP   A CE3 1 
ATOM   64   C CZ2 . TRP   A 1 11  ? 30.237 -11.748 -17.084 1.00 46.12  ? 7   TRP   A CZ2 1 
ATOM   65   C CZ3 . TRP   A 1 11  ? 30.269 -10.851 -14.833 1.00 50.04  ? 7   TRP   A CZ3 1 
ATOM   66   C CH2 . TRP   A 1 11  ? 29.704 -10.917 -16.109 1.00 41.39  ? 7   TRP   A CH2 1 
ATOM   67   N N   . LYS   A 1 12  ? 35.699 -12.469 -11.794 1.00 45.42  ? 8   LYS   A N   1 
ATOM   68   C CA  . LYS   A 1 12  ? 36.358 -12.720 -10.520 1.00 44.77  ? 8   LYS   A CA  1 
ATOM   69   C C   . LYS   A 1 12  ? 35.302 -12.786 -9.412  1.00 44.04  ? 8   LYS   A C   1 
ATOM   70   O O   . LYS   A 1 12  ? 34.344 -12.017 -9.417  1.00 48.86  ? 8   LYS   A O   1 
ATOM   71   C CB  . LYS   A 1 12  ? 37.517 -11.736 -10.329 1.00 50.34  ? 8   LYS   A CB  1 
ATOM   72   C CG  . LYS   A 1 12  ? 37.161 -10.288 -10.001 1.00 65.69  ? 8   LYS   A CG  1 
ATOM   73   N N   . ILE   A 1 13  ? 35.460 -13.714 -8.453  1.00 41.90  ? 9   ILE   A N   1 
ATOM   74   C CA  . ILE   A 1 13  ? 34.392 -13.991 -7.491  1.00 44.66  ? 9   ILE   A CA  1 
ATOM   75   C C   . ILE   A 1 13  ? 34.322 -12.874 -6.447  1.00 46.91  ? 9   ILE   A C   1 
ATOM   76   O O   . ILE   A 1 13  ? 35.359 -12.343 -6.070  1.00 50.39  ? 9   ILE   A O   1 
ATOM   77   C CB  . ILE   A 1 13  ? 34.595 -15.375 -6.831  1.00 43.98  ? 9   ILE   A CB  1 
ATOM   78   C CG1 . ILE   A 1 13  ? 33.325 -15.870 -6.132  1.00 42.61  ? 9   ILE   A CG1 1 
ATOM   79   C CG2 . ILE   A 1 13  ? 35.837 -15.417 -5.924  1.00 48.54  ? 9   ILE   A CG2 1 
ATOM   80   C CD1 . ILE   A 1 13  ? 33.432 -17.285 -5.575  1.00 43.55  ? 9   ILE   A CD1 1 
ATOM   81   N N   . ILE   A 1 14  ? 33.118 -12.547 -5.952  1.00 46.87  ? 10  ILE   A N   1 
ATOM   82   C CA  . ILE   A 1 14  ? 32.995 -11.560 -4.885  1.00 47.78  ? 10  ILE   A CA  1 
ATOM   83   C C   . ILE   A 1 14  ? 32.170 -12.125 -3.734  1.00 52.18  ? 10  ILE   A C   1 
ATOM   84   O O   . ILE   A 1 14  ? 32.157 -11.541 -2.669  1.00 50.63  ? 10  ILE   A O   1 
ATOM   85   C CB  . ILE   A 1 14  ? 32.413 -10.210 -5.364  1.00 47.41  ? 10  ILE   A CB  1 
ATOM   86   C CG1 . ILE   A 1 14  ? 31.024 -10.361 -5.978  1.00 46.47  ? 10  ILE   A CG1 1 
ATOM   87   C CG2 . ILE   A 1 14  ? 33.340 -9.495  -6.318  1.00 42.50  ? 10  ILE   A CG2 1 
ATOM   88   C CD1 . ILE   A 1 14  ? 30.260 -9.066  -6.028  1.00 56.09  ? 10  ILE   A CD1 1 
ATOM   89   N N   . ARG   A 1 15  ? 31.475 -13.246 -3.934  1.00 52.55  ? 11  ARG   A N   1 
ATOM   90   C CA  . ARG   A 1 15  ? 30.707 -13.845 -2.851  1.00 56.13  ? 11  ARG   A CA  1 
ATOM   91   C C   . ARG   A 1 15  ? 30.551 -15.336 -3.101  1.00 56.93  ? 11  ARG   A C   1 
ATOM   92   O O   . ARG   A 1 15  ? 30.424 -15.760 -4.249  1.00 49.32  ? 11  ARG   A O   1 
ATOM   93   C CB  . ARG   A 1 15  ? 29.269 -13.329 -2.834  1.00 55.79  ? 11  ARG   A CB  1 
ATOM   94   C CG  . ARG   A 1 15  ? 29.020 -12.215 -1.837  1.00 73.76  ? 11  ARG   A CG  1 
ATOM   95   C CD  . ARG   A 1 15  ? 27.613 -12.304 -1.286  1.00 69.82  ? 11  ARG   A CD  1 
ATOM   96   N NE  . ARG   A 1 15  ? 26.545 -12.318 -2.273  1.00 72.24  ? 11  ARG   A NE  1 
ATOM   97   C CZ  . ARG   A 1 15  ? 26.273 -11.338 -3.134  1.00 71.79  ? 11  ARG   A CZ  1 
ATOM   98   N NH1 . ARG   A 1 15  ? 27.022 -10.243 -3.170  1.00 66.09  ? 11  ARG   A NH1 1 
ATOM   99   N NH2 . ARG   A 1 15  ? 25.246 -11.468 -3.963  1.00 73.58  ? 11  ARG   A NH2 1 
ATOM   100  N N   . SER   A 1 16  ? 30.494 -16.092 -2.007  1.00 53.34  ? 12  SER   A N   1 
ATOM   101  C CA  . SER   A 1 16  ? 30.370 -17.535 -2.052  1.00 47.33  ? 12  SER   A CA  1 
ATOM   102  C C   . SER   A 1 16  ? 29.612 -17.985 -0.808  1.00 56.59  ? 12  SER   A C   1 
ATOM   103  O O   . SER   A 1 16  ? 30.192 -17.987 0.281   1.00 58.06  ? 12  SER   A O   1 
ATOM   104  C CB  . SER   A 1 16  ? 31.712 -18.163 -2.128  1.00 50.09  ? 12  SER   A CB  1 
ATOM   105  O OG  . SER   A 1 16  ? 31.622 -19.581 -2.219  1.00 52.48  ? 12  SER   A OG  1 
ATOM   106  N N   . GLU   A 1 17  ? 28.322 -18.323 -1.004  1.00 51.36  ? 13  GLU   A N   1 
ATOM   107  C CA  . GLU   A 1 17  ? 27.399 -18.803 0.019   1.00 55.02  ? 13  GLU   A CA  1 
ATOM   108  C C   . GLU   A 1 17  ? 27.204 -20.315 -0.082  1.00 54.14  ? 13  GLU   A C   1 
ATOM   109  O O   . GLU   A 1 17  ? 26.967 -20.825 -1.168  1.00 51.36  ? 13  GLU   A O   1 
ATOM   110  C CB  . GLU   A 1 17  ? 26.064 -18.081 -0.124  1.00 57.33  ? 13  GLU   A CB  1 
ATOM   111  C CG  . GLU   A 1 17  ? 26.158 -16.631 0.335   1.00 83.28  ? 13  GLU   A CG  1 
ATOM   112  C CD  . GLU   A 1 17  ? 25.511 -15.533 -0.504  1.00 92.98  ? 13  GLU   A CD  1 
ATOM   113  O OE1 . GLU   A 1 17  ? 24.734 -15.849 -1.436  1.00 92.95  ? 13  GLU   A OE1 1 
ATOM   114  O OE2 . GLU   A 1 17  ? 25.799 -14.347 -0.229  1.00 94.42  ? 13  GLU   A OE2 1 
ATOM   115  N N   . ASN   A 1 18  ? 27.315 -21.035 1.050   1.00 49.84  ? 14  ASN   A N   1 
ATOM   116  C CA  . ASN   A 1 18  ? 26.872 -22.423 1.163   1.00 48.06  ? 14  ASN   A CA  1 
ATOM   117  C C   . ASN   A 1 18  ? 27.853 -23.410 0.527   1.00 47.63  ? 14  ASN   A C   1 
ATOM   118  O O   . ASN   A 1 18  ? 27.547 -24.596 0.365   1.00 49.62  ? 14  ASN   A O   1 
ATOM   119  C CB  . ASN   A 1 18  ? 25.475 -22.659 0.577   1.00 50.88  ? 14  ASN   A CB  1 
ATOM   120  C CG  . ASN   A 1 18  ? 24.363 -22.213 1.505   1.00 71.20  ? 14  ASN   A CG  1 
ATOM   121  O OD1 . ASN   A 1 18  ? 24.569 -22.132 2.716   1.00 74.37  ? 14  ASN   A OD1 1 
ATOM   122  N ND2 . ASN   A 1 18  ? 23.187 -21.919 0.953   1.00 64.28  ? 14  ASN   A ND2 1 
ATOM   123  N N   . PHE   A 1 19  ? 29.054 -22.946 0.192   1.00 47.00  ? 15  PHE   A N   1 
ATOM   124  C CA  . PHE   A 1 19  ? 30.012 -23.843 -0.431  1.00 46.05  ? 15  PHE   A CA  1 
ATOM   125  C C   . PHE   A 1 19  ? 30.380 -25.002 0.501   1.00 45.10  ? 15  PHE   A C   1 
ATOM   126  O O   . PHE   A 1 19  ? 30.380 -26.185 0.130   1.00 42.98  ? 15  PHE   A O   1 
ATOM   127  C CB  . PHE   A 1 19  ? 31.217 -23.023 -0.913  1.00 43.54  ? 15  PHE   A CB  1 
ATOM   128  C CG  . PHE   A 1 19  ? 32.170 -23.828 -1.753  1.00 53.41  ? 15  PHE   A CG  1 
ATOM   129  C CD1 . PHE   A 1 19  ? 31.727 -24.484 -2.902  1.00 53.85  ? 15  PHE   A CD1 1 
ATOM   130  C CD2 . PHE   A 1 19  ? 33.517 -23.910 -1.423  1.00 58.60  ? 15  PHE   A CD2 1 
ATOM   131  C CE1 . PHE   A 1 19  ? 32.610 -25.219 -3.686  1.00 55.29  ? 15  PHE   A CE1 1 
ATOM   132  C CE2 . PHE   A 1 19  ? 34.397 -24.650 -2.209  1.00 57.60  ? 15  PHE   A CE2 1 
ATOM   133  C CZ  . PHE   A 1 19  ? 33.941 -25.306 -3.336  1.00 60.14  ? 15  PHE   A CZ  1 
ATOM   134  N N   . GLU   A 1 20  ? 30.657 -24.676 1.763   1.00 43.63  ? 16  GLU   A N   1 
ATOM   135  C CA  . GLU   A 1 20  ? 31.054 -25.734 2.677   1.00 47.40  ? 16  GLU   A CA  1 
ATOM   136  C C   . GLU   A 1 20  ? 29.949 -26.779 2.791   1.00 46.05  ? 16  GLU   A C   1 
ATOM   137  O O   . GLU   A 1 20  ? 30.227 -27.980 2.917   1.00 44.90  ? 16  GLU   A O   1 
ATOM   138  C CB  . GLU   A 1 20  ? 31.390 -25.162 4.054   1.00 48.87  ? 16  GLU   A CB  1 
ATOM   139  C CG  . GLU   A 1 20  ? 31.804 -26.245 5.023   1.00 51.95  ? 16  GLU   A CG  1 
ATOM   140  C CD  . GLU   A 1 20  ? 32.481 -25.780 6.309   1.00 59.09  ? 16  GLU   A CD  1 
ATOM   141  O OE1 . GLU   A 1 20  ? 32.563 -24.544 6.548   1.00 52.86  ? 16  GLU   A OE1 1 
ATOM   142  O OE2 . GLU   A 1 20  ? 32.918 -26.667 7.070   1.00 58.02  ? 16  GLU   A OE2 1 
ATOM   143  N N   . GLU   A 1 21  ? 28.695 -26.308 2.818   1.00 45.83  ? 17  GLU   A N   1 
ATOM   144  C CA  . GLU   A 1 21  ? 27.579 -27.223 3.051   1.00 52.92  ? 17  GLU   A CA  1 
ATOM   145  C C   . GLU   A 1 21  ? 27.462 -28.189 1.865   1.00 49.54  ? 17  GLU   A C   1 
ATOM   146  O O   . GLU   A 1 21  ? 27.162 -29.374 2.030   1.00 44.67  ? 17  GLU   A O   1 
ATOM   147  C CB  . GLU   A 1 21  ? 26.291 -26.436 3.293   1.00 52.86  ? 17  GLU   A CB  1 
ATOM   148  C CG  . GLU   A 1 21  ? 26.278 -25.657 4.600   1.00 59.34  ? 17  GLU   A CG  1 
ATOM   149  C CD  . GLU   A 1 21  ? 27.038 -24.331 4.705   1.00 75.70  ? 17  GLU   A CD  1 
ATOM   150  O OE1 . GLU   A 1 21  ? 27.922 -23.993 3.815   1.00 54.03  ? 17  GLU   A OE1 1 
ATOM   151  O OE2 . GLU   A 1 21  ? 26.767 -23.624 5.710   1.00 74.85  ? 17  GLU   A OE2 1 
ATOM   152  N N   . LEU   A 1 22  ? 27.758 -27.674 0.667   1.00 54.79  ? 18  LEU   A N   1 
ATOM   153  C CA  . LEU   A 1 22  ? 27.724 -28.454 -0.572  1.00 51.62  ? 18  LEU   A CA  1 
ATOM   154  C C   . LEU   A 1 22  ? 28.791 -29.540 -0.499  1.00 48.21  ? 18  LEU   A C   1 
ATOM   155  O O   . LEU   A 1 22  ? 28.512 -30.697 -0.782  1.00 49.66  ? 18  LEU   A O   1 
ATOM   156  C CB  . LEU   A 1 22  ? 27.969 -27.512 -1.765  1.00 49.79  ? 18  LEU   A CB  1 
ATOM   157  C CG  . LEU   A 1 22  ? 28.070 -28.174 -3.148  1.00 54.57  ? 18  LEU   A CG  1 
ATOM   158  C CD1 . LEU   A 1 22  ? 26.694 -28.518 -3.692  1.00 48.04  ? 18  LEU   A CD1 1 
ATOM   159  C CD2 . LEU   A 1 22  ? 28.794 -27.268 -4.147  1.00 52.54  ? 18  LEU   A CD2 1 
ATOM   160  N N   . LEU   A 1 23  ? 30.012 -29.174 -0.080  1.00 47.51  ? 19  LEU   A N   1 
ATOM   161  C CA  . LEU   A 1 23  ? 31.058 -30.172 0.001   1.00 45.30  ? 19  LEU   A CA  1 
ATOM   162  C C   . LEU   A 1 23  ? 30.676 -31.196 1.051   1.00 48.09  ? 19  LEU   A C   1 
ATOM   163  O O   . LEU   A 1 23  ? 31.026 -32.377 0.934   1.00 47.90  ? 19  LEU   A O   1 
ATOM   164  C CB  . LEU   A 1 23  ? 32.400 -29.539 0.371   1.00 47.89  ? 19  LEU   A CB  1 
ATOM   165  C CG  . LEU   A 1 23  ? 32.907 -28.449 -0.572  1.00 58.38  ? 19  LEU   A CG  1 
ATOM   166  C CD1 . LEU   A 1 23  ? 34.279 -27.985 -0.116  1.00 54.01  ? 19  LEU   A CD1 1 
ATOM   167  C CD2 . LEU   A 1 23  ? 32.983 -28.936 -2.013  1.00 53.49  ? 19  LEU   A CD2 1 
ATOM   168  N N   . LYS   A 1 24  ? 30.037 -30.721 2.126   1.00 45.23  ? 20  LYS   A N   1 
ATOM   169  C CA  . LYS   A 1 24  ? 29.657 -31.660 3.176   1.00 50.47  ? 20  LYS   A CA  1 
ATOM   170  C C   . LYS   A 1 24  ? 28.787 -32.774 2.584   1.00 52.70  ? 20  LYS   A C   1 
ATOM   171  O O   . LYS   A 1 24  ? 29.056 -33.945 2.826   1.00 53.24  ? 20  LYS   A O   1 
ATOM   172  C CB  . LYS   A 1 24  ? 28.997 -30.944 4.359   1.00 50.67  ? 20  LYS   A CB  1 
ATOM   173  C CG  . LYS   A 1 24  ? 28.903 -31.774 5.625   1.00 49.92  ? 20  LYS   A CG  1 
ATOM   174  C CD  . LYS   A 1 24  ? 28.380 -30.943 6.810   1.00 50.48  ? 20  LYS   A CD  1 
ATOM   175  C CE  . LYS   A 1 24  ? 28.206 -31.775 8.062   1.00 52.69  ? 20  LYS   A CE  1 
ATOM   176  N NZ  . LYS   A 1 24  ? 27.358 -31.060 9.039   1.00 60.04  ? 20  LYS   A NZ  1 
ATOM   177  N N   . VAL   A 1 25  ? 27.787 -32.392 1.766   1.00 55.01  ? 21  VAL   A N   1 
ATOM   178  C CA  . VAL   A 1 25  ? 26.824 -33.294 1.139   1.00 53.51  ? 21  VAL   A CA  1 
ATOM   179  C C   . VAL   A 1 25  ? 27.567 -34.288 0.261   1.00 54.43  ? 21  VAL   A C   1 
ATOM   180  O O   . VAL   A 1 25  ? 27.136 -35.418 0.086   1.00 58.25  ? 21  VAL   A O   1 
ATOM   181  C CB  . VAL   A 1 25  ? 25.799 -32.512 0.286   1.00 55.13  ? 21  VAL   A CB  1 
ATOM   182  C CG1 . VAL   A 1 25  ? 25.122 -33.416 -0.728  1.00 58.70  ? 21  VAL   A CG1 1 
ATOM   183  C CG2 . VAL   A 1 25  ? 24.754 -31.831 1.137   1.00 52.65  ? 21  VAL   A CG2 1 
ATOM   184  N N   . LEU   A 1 26  ? 28.693 -33.837 -0.296  1.00 59.26  ? 22  LEU   A N   1 
ATOM   185  C CA  . LEU   A 1 26  ? 29.480 -34.639 -1.206  1.00 50.09  ? 22  LEU   A CA  1 
ATOM   186  C C   . LEU   A 1 26  ? 30.487 -35.491 -0.434  1.00 54.09  ? 22  LEU   A C   1 
ATOM   187  O O   . LEU   A 1 26  ? 31.317 -36.165 -1.035  1.00 60.38  ? 22  LEU   A O   1 
ATOM   188  C CB  . LEU   A 1 26  ? 30.143 -33.706 -2.234  1.00 57.67  ? 22  LEU   A CB  1 
ATOM   189  C CG  . LEU   A 1 26  ? 29.189 -32.771 -2.996  1.00 63.09  ? 22  LEU   A CG  1 
ATOM   190  C CD1 . LEU   A 1 26  ? 29.940 -31.721 -3.795  1.00 71.00  ? 22  LEU   A CD1 1 
ATOM   191  C CD2 . LEU   A 1 26  ? 28.243 -33.527 -3.914  1.00 65.21  ? 22  LEU   A CD2 1 
ATOM   192  N N   . GLY   A 1 27  ? 30.420 -35.488 0.901   1.00 55.32  ? 23  GLY   A N   1 
ATOM   193  C CA  . GLY   A 1 27  ? 31.254 -36.402 1.681   1.00 46.88  ? 23  GLY   A CA  1 
ATOM   194  C C   . GLY   A 1 27  ? 32.668 -35.880 1.966   1.00 49.30  ? 23  GLY   A C   1 
ATOM   195  O O   . GLY   A 1 27  ? 33.485 -36.588 2.546   1.00 55.93  ? 23  GLY   A O   1 
ATOM   196  N N   . VAL   A 1 28  ? 32.970 -34.629 1.612   1.00 49.55  ? 24  VAL   A N   1 
ATOM   197  C CA  . VAL   A 1 28  ? 34.308 -34.105 1.868   1.00 49.92  ? 24  VAL   A CA  1 
ATOM   198  C C   . VAL   A 1 28  ? 34.457 -33.839 3.362   1.00 50.30  ? 24  VAL   A C   1 
ATOM   199  O O   . VAL   A 1 28  ? 33.639 -33.106 3.935   1.00 52.66  ? 24  VAL   A O   1 
ATOM   200  C CB  . VAL   A 1 28  ? 34.529 -32.782 1.114   1.00 50.74  ? 24  VAL   A CB  1 
ATOM   201  C CG1 . VAL   A 1 28  ? 35.883 -32.176 1.406   1.00 49.46  ? 24  VAL   A CG1 1 
ATOM   202  C CG2 . VAL   A 1 28  ? 34.260 -32.892 -0.372  1.00 49.93  ? 24  VAL   A CG2 1 
ATOM   203  N N   . ASN   A 1 29  ? 35.550 -34.339 3.958   1.00 49.60  ? 25  ASN   A N   1 
ATOM   204  C CA  . ASN   A 1 29  ? 35.832 -34.168 5.381   1.00 53.23  ? 25  ASN   A CA  1 
ATOM   205  C C   . ASN   A 1 29  ? 36.113 -32.693 5.723   1.00 50.60  ? 25  ASN   A C   1 
ATOM   206  O O   . ASN   A 1 29  ? 36.381 -31.865 4.845   1.00 58.25  ? 25  ASN   A O   1 
ATOM   207  C CB  . ASN   A 1 29  ? 36.938 -35.119 5.860   1.00 59.12  ? 25  ASN   A CB  1 
ATOM   208  C CG  . ASN   A 1 29  ? 38.335 -34.517 5.764   1.00 81.67  ? 25  ASN   A CG  1 
ATOM   209  O OD1 . ASN   A 1 29  ? 38.624 -33.706 4.888   1.00 78.74  ? 25  ASN   A OD1 1 
ATOM   210  N ND2 . ASN   A 1 29  ? 39.220 -34.874 6.680   1.00 90.49  ? 25  ASN   A ND2 1 
ATOM   211  N N   . VAL   A 1 30  ? 36.100 -32.375 7.023   1.00 51.28  ? 26  VAL   A N   1 
ATOM   212  C CA  . VAL   A 1 30  ? 36.054 -31.002 7.516   1.00 46.88  ? 26  VAL   A CA  1 
ATOM   213  C C   . VAL   A 1 30  ? 37.297 -30.210 7.106   1.00 45.62  ? 26  VAL   A C   1 
ATOM   214  O O   . VAL   A 1 30  ? 37.158 -29.075 6.660   1.00 50.57  ? 26  VAL   A O   1 
ATOM   215  C CB  . VAL   A 1 30  ? 35.894 -30.925 9.039   1.00 49.33  ? 26  VAL   A CB  1 
ATOM   216  C CG1 . VAL   A 1 30  ? 35.732 -29.454 9.449   1.00 44.43  ? 26  VAL   A CG1 1 
ATOM   217  C CG2 . VAL   A 1 30  ? 34.702 -31.754 9.500   1.00 64.14  ? 26  VAL   A CG2 1 
ATOM   218  N N   . MET   A 1 31  ? 38.488 -30.783 7.340   1.00 47.18  ? 27  MET   A N   1 
ATOM   219  C CA  . MET   A 1 31  ? 39.775 -30.163 7.044   1.00 52.89  ? 27  MET   A CA  1 
ATOM   220  C C   . MET   A 1 31  ? 39.833 -29.773 5.556   1.00 48.93  ? 27  MET   A C   1 
ATOM   221  O O   . MET   A 1 31  ? 40.123 -28.620 5.219   1.00 54.00  ? 27  MET   A O   1 
ATOM   222  C CB  . MET   A 1 31  ? 40.936 -31.072 7.511   1.00 58.28  ? 27  MET   A CB  1 
ATOM   223  C CG  . MET   A 1 31  ? 42.398 -30.582 7.238   1.00 74.56  ? 27  MET   A CG  1 
ATOM   224  S SD  . MET   A 1 31  ? 43.262 -31.002 5.618   1.00 94.07  ? 27  MET   A SD  1 
ATOM   225  C CE  . MET   A 1 31  ? 43.917 -32.661 5.839   1.00 73.15  ? 27  MET   A CE  1 
ATOM   226  N N   . LEU   A 1 32  ? 39.469 -30.699 4.654   1.00 45.92  ? 28  LEU   A N   1 
ATOM   227  C CA  . LEU   A 1 32  ? 39.513 -30.410 3.235   1.00 48.98  ? 28  LEU   A CA  1 
ATOM   228  C C   . LEU   A 1 32  ? 38.454 -29.377 2.866   1.00 48.70  ? 28  LEU   A C   1 
ATOM   229  O O   . LEU   A 1 32  ? 38.685 -28.532 2.001   1.00 44.25  ? 28  LEU   A O   1 
ATOM   230  C CB  . LEU   A 1 32  ? 39.322 -31.688 2.413   1.00 53.34  ? 28  LEU   A CB  1 
ATOM   231  C CG  . LEU   A 1 32  ? 40.481 -32.691 2.427   1.00 61.53  ? 28  LEU   A CG  1 
ATOM   232  C CD1 . LEU   A 1 32  ? 40.096 -33.935 1.633   1.00 64.72  ? 28  LEU   A CD1 1 
ATOM   233  C CD2 . LEU   A 1 32  ? 41.766 -32.078 1.880   1.00 55.85  ? 28  LEU   A CD2 1 
ATOM   234  N N   . ARG   A 1 33  ? 37.289 -29.427 3.513   1.00 44.16  ? 29  ARG   A N   1 
ATOM   235  C CA  . ARG   A 1 33  ? 36.291 -28.417 3.169   1.00 45.33  ? 29  ARG   A CA  1 
ATOM   236  C C   . ARG   A 1 33  ? 36.831 -27.030 3.480   1.00 39.04  ? 29  ARG   A C   1 
ATOM   237  O O   . ARG   A 1 33  ? 36.531 -26.095 2.751   1.00 42.17  ? 29  ARG   A O   1 
ATOM   238  C CB  . ARG   A 1 33  ? 34.978 -28.572 3.945   1.00 43.90  ? 29  ARG   A CB  1 
ATOM   239  C CG  . ARG   A 1 33  ? 34.355 -29.952 3.848   1.00 46.52  ? 29  ARG   A CG  1 
ATOM   240  C CD  . ARG   A 1 33  ? 32.896 -29.888 4.247   1.00 56.94  ? 29  ARG   A CD  1 
ATOM   241  N NE  . ARG   A 1 33  ? 32.617 -29.656 5.666   1.00 58.26  ? 29  ARG   A NE  1 
ATOM   242  C CZ  . ARG   A 1 33  ? 32.477 -30.610 6.595   1.00 53.92  ? 29  ARG   A CZ  1 
ATOM   243  N NH1 . ARG   A 1 33  ? 32.627 -31.889 6.290   1.00 47.99  ? 29  ARG   A NH1 1 
ATOM   244  N NH2 . ARG   A 1 33  ? 32.163 -30.272 7.831   1.00 48.29  ? 29  ARG   A NH2 1 
ATOM   245  N N   . LYS   A 1 34  ? 37.537 -26.889 4.618   1.00 41.15  ? 30  LYS   A N   1 
ATOM   246  C CA  . LYS   A 1 34  ? 37.986 -25.570 5.079   1.00 42.13  ? 30  LYS   A CA  1 
ATOM   247  C C   . LYS   A 1 34  ? 39.044 -25.027 4.122   1.00 46.72  ? 30  LYS   A C   1 
ATOM   248  O O   . LYS   A 1 34  ? 39.116 -23.825 3.862   1.00 42.73  ? 30  LYS   A O   1 
ATOM   249  C CB  . LYS   A 1 34  ? 38.547 -25.627 6.512   1.00 38.22  ? 30  LYS   A CB  1 
ATOM   250  C CG  . LYS   A 1 34  ? 37.511 -26.004 7.580   1.00 39.21  ? 30  LYS   A CG  1 
ATOM   251  C CD  . LYS   A 1 34  ? 36.286 -25.049 7.633   1.00 42.59  ? 30  LYS   A CD  1 
ATOM   252  C CE  . LYS   A 1 34  ? 35.429 -25.297 8.856   1.00 42.81  ? 30  LYS   A CE  1 
ATOM   253  N NZ  . LYS   A 1 34  ? 34.169 -24.544 8.800   1.00 40.15  ? 30  LYS   A NZ  1 
ATOM   254  N N   . ILE   A 1 35  ? 39.848 -25.951 3.587   1.00 46.18  ? 31  ILE   A N   1 
ATOM   255  C CA  . ILE   A 1 35  ? 40.882 -25.621 2.621   1.00 46.25  ? 31  ILE   A CA  1 
ATOM   256  C C   . ILE   A 1 35  ? 40.231 -25.239 1.297   1.00 42.16  ? 31  ILE   A C   1 
ATOM   257  O O   . ILE   A 1 35  ? 40.685 -24.307 0.641   1.00 48.75  ? 31  ILE   A O   1 
ATOM   258  C CB  . ILE   A 1 35  ? 41.838 -26.823 2.512   1.00 49.91  ? 31  ILE   A CB  1 
ATOM   259  C CG1 . ILE   A 1 35  ? 42.812 -26.837 3.691   1.00 54.09  ? 31  ILE   A CG1 1 
ATOM   260  C CG2 . ILE   A 1 35  ? 42.553 -26.895 1.180   1.00 65.17  ? 31  ILE   A CG2 1 
ATOM   261  C CD1 . ILE   A 1 35  ? 43.427 -28.198 3.913   1.00 67.52  ? 31  ILE   A CD1 1 
ATOM   262  N N   . ALA   A 1 36  ? 39.144 -25.930 0.943   1.00 46.77  ? 32  ALA   A N   1 
ATOM   263  C CA  . ALA   A 1 36  ? 38.405 -25.639 -0.276  1.00 45.46  ? 32  ALA   A CA  1 
ATOM   264  C C   . ALA   A 1 36  ? 37.722 -24.276 -0.194  1.00 47.87  ? 32  ALA   A C   1 
ATOM   265  O O   . ALA   A 1 36  ? 37.733 -23.480 -1.147  1.00 45.95  ? 32  ALA   A O   1 
ATOM   266  C CB  . ALA   A 1 36  ? 37.410 -26.748 -0.519  1.00 43.25  ? 32  ALA   A CB  1 
ATOM   267  N N   . VAL   A 1 37  ? 37.120 -23.993 0.966   1.00 47.23  ? 33  VAL   A N   1 
ATOM   268  C CA  . VAL   A 1 37  ? 36.517 -22.681 1.147   1.00 40.69  ? 33  VAL   A CA  1 
ATOM   269  C C   . VAL   A 1 37  ? 37.597 -21.618 0.975   1.00 43.97  ? 33  VAL   A C   1 
ATOM   270  O O   . VAL   A 1 37  ? 37.333 -20.596 0.344   1.00 41.74  ? 33  VAL   A O   1 
ATOM   271  C CB  . VAL   A 1 37  ? 35.787 -22.500 2.498   1.00 41.35  ? 33  VAL   A CB  1 
ATOM   272  C CG1 . VAL   A 1 37  ? 35.315 -21.061 2.653   1.00 40.88  ? 33  VAL   A CG1 1 
ATOM   273  C CG2 . VAL   A 1 37  ? 34.605 -23.456 2.642   1.00 38.60  ? 33  VAL   A CG2 1 
ATOM   274  N N   . ALA   A 1 38  ? 38.780 -21.815 1.586   1.00 38.91  ? 34  ALA   A N   1 
ATOM   275  C CA  . ALA   A 1 38  ? 39.784 -20.764 1.514   1.00 39.49  ? 34  ALA   A CA  1 
ATOM   276  C C   . ALA   A 1 38  ? 40.180 -20.587 0.043   1.00 45.74  ? 34  ALA   A C   1 
ATOM   277  O O   . ALA   A 1 38  ? 40.244 -19.460 -0.438  1.00 49.77  ? 34  ALA   A O   1 
ATOM   278  C CB  . ALA   A 1 38  ? 40.980 -21.104 2.380   1.00 39.29  ? 34  ALA   A CB  1 
ATOM   279  N N   . ALA   A 1 39  ? 40.377 -21.708 -0.683  1.00 43.64  ? 35  ALA   A N   1 
ATOM   280  C CA  . ALA   A 1 39  ? 40.781 -21.689 -2.094  1.00 45.13  ? 35  ALA   A CA  1 
ATOM   281  C C   . ALA   A 1 39  ? 39.704 -21.039 -2.977  1.00 47.73  ? 35  ALA   A C   1 
ATOM   282  O O   . ALA   A 1 39  ? 40.016 -20.415 -3.980  1.00 46.01  ? 35  ALA   A O   1 
ATOM   283  C CB  . ALA   A 1 39  ? 41.033 -23.099 -2.568  1.00 41.03  ? 35  ALA   A CB  1 
ATOM   284  N N   . ALA   A 1 40  ? 38.432 -21.172 -2.589  1.00 44.61  ? 36  ALA   A N   1 
ATOM   285  C CA  . ALA   A 1 40  ? 37.322 -20.642 -3.369  1.00 49.46  ? 36  ALA   A CA  1 
ATOM   286  C C   . ALA   A 1 40  ? 37.355 -19.123 -3.455  1.00 48.15  ? 36  ALA   A C   1 
ATOM   287  O O   . ALA   A 1 40  ? 36.632 -18.543 -4.253  1.00 54.97  ? 36  ALA   A O   1 
ATOM   288  C CB  . ALA   A 1 40  ? 35.990 -21.125 -2.816  1.00 48.18  ? 36  ALA   A CB  1 
ATOM   289  N N   . SER   A 1 41  ? 38.167 -18.445 -2.639  1.00 49.26  ? 37  SER   A N   1 
ATOM   290  C CA  . SER   A 1 41  ? 38.042 -16.996 -2.710  1.00 49.29  ? 37  SER   A CA  1 
ATOM   291  C C   . SER   A 1 41  ? 38.947 -16.427 -3.800  1.00 49.61  ? 37  SER   A C   1 
ATOM   292  O O   . SER   A 1 41  ? 38.904 -15.238 -4.083  1.00 48.72  ? 37  SER   A O   1 
ATOM   293  C CB  . SER   A 1 41  ? 38.240 -16.330 -1.365  1.00 71.46  ? 37  SER   A CB  1 
ATOM   294  O OG  . SER   A 1 41  ? 39.602 -16.374 -0.981  1.00 64.74  ? 37  SER   A OG  1 
ATOM   295  N N   . LYS   A 1 42  ? 39.708 -17.303 -4.467  1.00 45.73  ? 38  LYS   A N   1 
ATOM   296  C CA  . LYS   A 1 42  ? 40.430 -16.937 -5.680  1.00 52.47  ? 38  LYS   A CA  1 
ATOM   297  C C   . LYS   A 1 42  ? 39.821 -17.610 -6.926  1.00 51.89  ? 38  LYS   A C   1 
ATOM   298  O O   . LYS   A 1 42  ? 40.488 -17.719 -7.948  1.00 49.68  ? 38  LYS   A O   1 
ATOM   299  C CB  . LYS   A 1 42  ? 41.927 -17.276 -5.518  1.00 50.73  ? 38  LYS   A CB  1 
ATOM   300  C CG  . LYS   A 1 42  ? 42.561 -16.894 -4.178  1.00 51.47  ? 38  LYS   A CG  1 
ATOM   301  N N   . TYR   A 1 43  ? 38.581 -18.119 -6.867  1.00 47.38  ? 39  TYR   A N   1 
ATOM   302  C CA  . TYR   A 1 43  ? 37.966 -18.591 -8.105  1.00 48.52  ? 39  TYR   A CA  1 
ATOM   303  C C   . TYR   A 1 43  ? 37.997 -17.488 -9.159  1.00 48.66  ? 39  TYR   A C   1 
ATOM   304  O O   . TYR   A 1 43  ? 37.556 -16.375 -8.911  1.00 40.84  ? 39  TYR   A O   1 
ATOM   305  C CB  . TYR   A 1 43  ? 36.501 -19.005 -7.940  1.00 51.03  ? 39  TYR   A CB  1 
ATOM   306  C CG  . TYR   A 1 43  ? 36.323 -20.402 -7.417  1.00 54.48  ? 39  TYR   A CG  1 
ATOM   307  C CD1 . TYR   A 1 43  ? 37.181 -21.430 -7.771  1.00 58.86  ? 39  TYR   A CD1 1 
ATOM   308  C CD2 . TYR   A 1 43  ? 35.291 -20.703 -6.547  1.00 70.14  ? 39  TYR   A CD2 1 
ATOM   309  C CE1 . TYR   A 1 43  ? 37.018 -22.716 -7.270  1.00 59.56  ? 39  TYR   A CE1 1 
ATOM   310  C CE2 . TYR   A 1 43  ? 35.107 -21.984 -6.047  1.00 69.42  ? 39  TYR   A CE2 1 
ATOM   311  C CZ  . TYR   A 1 43  ? 35.980 -22.995 -6.395  1.00 64.52  ? 39  TYR   A CZ  1 
ATOM   312  O OH  . TYR   A 1 43  ? 35.781 -24.245 -5.865  1.00 66.98  ? 39  TYR   A OH  1 
ATOM   313  N N   . ALA   A 1 44  ? 38.517 -17.808 -10.346 1.00 43.49  ? 40  ALA   A N   1 
ATOM   314  C CA  . ALA   A 1 44  ? 38.364 -16.930 -11.482 1.00 45.13  ? 40  ALA   A CA  1 
ATOM   315  C C   . ALA   A 1 44  ? 37.737 -17.757 -12.603 1.00 51.02  ? 40  ALA   A C   1 
ATOM   316  O O   . ALA   A 1 44  ? 37.976 -18.964 -12.696 1.00 48.28  ? 40  ALA   A O   1 
ATOM   317  C CB  . ALA   A 1 44  ? 39.702 -16.327 -11.868 1.00 44.69  ? 40  ALA   A CB  1 
ATOM   318  N N   . VAL   A 1 45  ? 36.906 -17.111 -13.429 1.00 44.09  ? 41  VAL   A N   1 
ATOM   319  C CA  . VAL   A 1 45  ? 36.241 -17.809 -14.510 1.00 43.74  ? 41  VAL   A CA  1 
ATOM   320  C C   . VAL   A 1 45  ? 36.499 -17.001 -15.775 1.00 51.11  ? 41  VAL   A C   1 
ATOM   321  O O   . VAL   A 1 45  ? 36.338 -15.777 -15.787 1.00 44.87  ? 41  VAL   A O   1 
ATOM   322  C CB  . VAL   A 1 45  ? 34.725 -17.957 -14.277 1.00 43.40  ? 41  VAL   A CB  1 
ATOM   323  C CG1 . VAL   A 1 45  ? 34.122 -18.693 -15.459 1.00 46.20  ? 41  VAL   A CG1 1 
ATOM   324  C CG2 . VAL   A 1 45  ? 34.394 -18.721 -12.987 1.00 41.71  ? 41  VAL   A CG2 1 
ATOM   325  N N   . GLU   A 1 46  ? 36.910 -17.690 -16.840 1.00 44.79  ? 42  GLU   A N   1 
ATOM   326  C CA  . GLU   A 1 46  ? 37.005 -17.036 -18.135 1.00 47.04  ? 42  GLU   A CA  1 
ATOM   327  C C   . GLU   A 1 46  ? 36.031 -17.738 -19.080 1.00 45.80  ? 42  GLU   A C   1 
ATOM   328  O O   . GLU   A 1 46  ? 36.026 -18.961 -19.160 1.00 45.34  ? 42  GLU   A O   1 
ATOM   329  C CB  . GLU   A 1 46  ? 38.457 -17.003 -18.620 1.00 47.74  ? 42  GLU   A CB  1 
ATOM   330  C CG  . GLU   A 1 46  ? 38.641 -16.549 -20.061 1.00 59.76  ? 42  GLU   A CG  1 
ATOM   331  C CD  . GLU   A 1 46  ? 40.026 -16.855 -20.639 1.00 72.18  ? 42  GLU   A CD  1 
ATOM   332  O OE1 . GLU   A 1 46  ? 41.001 -16.988 -19.858 1.00 84.79  ? 42  GLU   A OE1 1 
ATOM   333  O OE2 . GLU   A 1 46  ? 40.140 -16.965 -21.869 1.00 72.30  ? 42  GLU   A OE2 1 
ATOM   334  N N   . ILE   A 1 47  ? 35.187 -16.951 -19.755 1.00 44.06  ? 43  ILE   A N   1 
ATOM   335  C CA  . ILE   A 1 47  ? 34.173 -17.488 -20.658 1.00 42.85  ? 43  ILE   A CA  1 
ATOM   336  C C   . ILE   A 1 47  ? 34.359 -16.870 -22.039 1.00 45.34  ? 43  ILE   A C   1 
ATOM   337  O O   . ILE   A 1 47  ? 34.457 -15.644 -22.157 1.00 45.62  ? 43  ILE   A O   1 
ATOM   338  C CB  . ILE   A 1 47  ? 32.755 -17.171 -20.153 1.00 42.84  ? 43  ILE   A CB  1 
ATOM   339  C CG1 . ILE   A 1 47  ? 32.549 -17.729 -18.740 1.00 44.99  ? 43  ILE   A CG1 1 
ATOM   340  C CG2 . ILE   A 1 47  ? 31.721 -17.706 -21.151 1.00 39.91  ? 43  ILE   A CG2 1 
ATOM   341  C CD1 . ILE   A 1 47  ? 31.148 -17.555 -18.188 1.00 41.96  ? 43  ILE   A CD1 1 
ATOM   342  N N   . LYS   A 1 48  ? 34.350 -17.729 -23.070 1.00 42.52  ? 44  LYS   A N   1 
ATOM   343  C CA  . LYS   A 1 48  ? 34.147 -17.270 -24.431 1.00 45.94  ? 44  LYS   A CA  1 
ATOM   344  C C   . LYS   A 1 48  ? 32.868 -17.899 -24.970 1.00 47.34  ? 44  LYS   A C   1 
ATOM   345  O O   . LYS   A 1 48  ? 32.762 -19.120 -25.036 1.00 42.48  ? 44  LYS   A O   1 
ATOM   346  C CB  . LYS   A 1 48  ? 35.354 -17.651 -25.298 1.00 50.28  ? 44  LYS   A CB  1 
ATOM   347  C CG  . LYS   A 1 48  ? 36.666 -16.967 -24.918 1.00 55.57  ? 44  LYS   A CG  1 
ATOM   348  N N   . GLN   A 1 49  ? 31.914 -17.061 -25.386 1.00 46.33  ? 45  GLN   A N   1 
ATOM   349  C CA  . GLN   A 1 49  ? 30.658 -17.561 -25.907 1.00 48.86  ? 45  GLN   A CA  1 
ATOM   350  C C   . GLN   A 1 49  ? 30.446 -17.060 -27.342 1.00 49.98  ? 45  GLN   A C   1 
ATOM   351  O O   . GLN   A 1 49  ? 30.597 -15.872 -27.607 1.00 48.19  ? 45  GLN   A O   1 
ATOM   352  C CB  . GLN   A 1 49  ? 29.508 -17.099 -25.008 1.00 40.52  ? 45  GLN   A CB  1 
ATOM   353  C CG  . GLN   A 1 49  ? 28.152 -17.208 -25.710 1.00 46.72  ? 45  GLN   A CG  1 
ATOM   354  C CD  . GLN   A 1 49  ? 26.984 -16.633 -24.934 1.00 50.97  ? 45  GLN   A CD  1 
ATOM   355  O OE1 . GLN   A 1 49  ? 27.145 -15.851 -23.989 1.00 45.40  ? 45  GLN   A OE1 1 
ATOM   356  N NE2 . GLN   A 1 49  ? 25.787 -16.986 -25.366 1.00 45.63  ? 45  GLN   A NE2 1 
ATOM   357  N N   . GLU   A 1 50  ? 30.036 -17.964 -28.245 1.00 46.37  ? 46  GLU   A N   1 
ATOM   358  C CA  . GLU   A 1 50  ? 29.566 -17.628 -29.579 1.00 52.39  ? 46  GLU   A CA  1 
ATOM   359  C C   . GLU   A 1 50  ? 28.277 -18.396 -29.845 1.00 48.48  ? 46  GLU   A C   1 
ATOM   360  O O   . GLU   A 1 50  ? 28.292 -19.617 -30.004 1.00 45.38  ? 46  GLU   A O   1 
ATOM   361  C CB  . GLU   A 1 50  ? 30.547 -18.124 -30.641 1.00 53.13  ? 46  GLU   A CB  1 
ATOM   362  C CG  . GLU   A 1 50  ? 31.780 -17.269 -30.838 0.70 65.59  ? 46  GLU   A CG  1 
ATOM   363  C CD  . GLU   A 1 50  ? 32.655 -17.864 -31.937 0.70 78.17  ? 46  GLU   A CD  1 
ATOM   364  O OE1 . GLU   A 1 50  ? 33.905 -17.775 -31.830 0.70 70.20  ? 46  GLU   A OE1 1 
ATOM   365  O OE2 . GLU   A 1 50  ? 32.079 -18.449 -32.895 0.70 78.60  ? 46  GLU   A OE2 1 
ATOM   366  N N   . GLY   A 1 51  ? 27.160 -17.673 -29.930 1.00 53.03  ? 47  GLY   A N   1 
ATOM   367  C CA  . GLY   A 1 51  ? 25.883 -18.346 -30.113 1.00 54.16  ? 47  GLY   A CA  1 
ATOM   368  C C   . GLY   A 1 51  ? 25.592 -19.239 -28.909 1.00 48.89  ? 47  GLY   A C   1 
ATOM   369  O O   . GLY   A 1 51  ? 25.614 -18.756 -27.780 1.00 51.31  ? 47  GLY   A O   1 
ATOM   370  N N   . ASP   A 1 52  ? 25.424 -20.547 -29.133 1.00 46.30  ? 48  ASP   A N   1 
ATOM   371  C CA  . ASP   A 1 52  ? 25.127 -21.448 -28.026 1.00 48.37  ? 48  ASP   A CA  1 
ATOM   372  C C   . ASP   A 1 52  ? 26.321 -22.368 -27.748 1.00 44.09  ? 48  ASP   A C   1 
ATOM   373  O O   . ASP   A 1 52  ? 26.166 -23.398 -27.098 1.00 46.21  ? 48  ASP   A O   1 
ATOM   374  C CB  . ASP   A 1 52  ? 23.819 -22.199 -28.259 1.00 50.18  ? 48  ASP   A CB  1 
ATOM   375  C CG  . ASP   A 1 52  ? 23.905 -23.127 -29.447 1.00 64.06  ? 48  ASP   A CG  1 
ATOM   376  O OD1 . ASP   A 1 52  ? 24.977 -23.138 -30.109 1.00 73.15  ? 48  ASP   A OD1 1 
ATOM   377  O OD2 . ASP   A 1 52  ? 22.892 -23.828 -29.707 1.00 76.12  ? 48  ASP   A OD2 1 
ATOM   378  N N   . THR   A 1 53  ? 27.502 -21.964 -28.237 1.00 43.53  ? 49  THR   A N   1 
ATOM   379  C CA  . THR   A 1 53  ? 28.776 -22.649 -27.989 1.00 50.37  ? 49  THR   A CA  1 
ATOM   380  C C   . THR   A 1 53  ? 29.612 -21.939 -26.916 1.00 43.92  ? 49  THR   A C   1 
ATOM   381  O O   . THR   A 1 53  ? 29.859 -20.736 -26.995 1.00 44.16  ? 49  THR   A O   1 
ATOM   382  C CB  . THR   A 1 53  ? 29.588 -22.726 -29.289 1.00 53.51  ? 49  THR   A CB  1 
ATOM   383  O OG1 . THR   A 1 53  ? 28.974 -23.753 -30.070 1.00 61.82  ? 49  THR   A OG1 1 
ATOM   384  C CG2 . THR   A 1 53  ? 31.053 -23.035 -29.074 1.00 55.32  ? 49  THR   A CG2 1 
ATOM   385  N N   . PHE   A 1 54  ? 30.143 -22.713 -25.961 1.00 45.01  ? 50  PHE   A N   1 
ATOM   386  C CA  . PHE   A 1 54  ? 30.827 -22.110 -24.824 1.00 44.12  ? 50  PHE   A CA  1 
ATOM   387  C C   . PHE   A 1 54  ? 32.185 -22.749 -24.562 1.00 45.05  ? 50  PHE   A C   1 
ATOM   388  O O   . PHE   A 1 54  ? 32.333 -23.982 -24.517 1.00 46.33  ? 50  PHE   A O   1 
ATOM   389  C CB  . PHE   A 1 54  ? 29.997 -22.289 -23.542 1.00 40.59  ? 50  PHE   A CB  1 
ATOM   390  C CG  . PHE   A 1 54  ? 28.808 -21.370 -23.460 1.00 42.37  ? 50  PHE   A CG  1 
ATOM   391  C CD1 . PHE   A 1 54  ? 27.626 -21.669 -24.128 1.00 43.23  ? 50  PHE   A CD1 1 
ATOM   392  C CD2 . PHE   A 1 54  ? 28.872 -20.196 -22.719 1.00 41.40  ? 50  PHE   A CD2 1 
ATOM   393  C CE1 . PHE   A 1 54  ? 26.542 -20.805 -24.057 1.00 40.38  ? 50  PHE   A CE1 1 
ATOM   394  C CE2 . PHE   A 1 54  ? 27.781 -19.346 -22.635 1.00 43.79  ? 50  PHE   A CE2 1 
ATOM   395  C CZ  . PHE   A 1 54  ? 26.614 -19.649 -23.310 1.00 44.32  ? 50  PHE   A CZ  1 
ATOM   396  N N   . TYR   A 1 55  ? 33.139 -21.874 -24.259 1.00 42.19  ? 51  TYR   A N   1 
ATOM   397  C CA  . TYR   A 1 55  ? 34.403 -22.290 -23.669 1.00 47.06  ? 51  TYR   A CA  1 
ATOM   398  C C   . TYR   A 1 55  ? 34.508 -21.667 -22.280 1.00 38.77  ? 51  TYR   A C   1 
ATOM   399  O O   . TYR   A 1 55  ? 34.316 -20.459 -22.131 1.00 42.27  ? 51  TYR   A O   1 
ATOM   400  C CB  . TYR   A 1 55  ? 35.602 -21.869 -24.547 1.00 44.48  ? 51  TYR   A CB  1 
ATOM   401  C CG  . TYR   A 1 55  ? 36.930 -21.877 -23.817 1.00 48.71  ? 51  TYR   A CG  1 
ATOM   402  C CD1 . TYR   A 1 55  ? 37.670 -23.051 -23.694 1.00 53.99  ? 51  TYR   A CD1 1 
ATOM   403  C CD2 . TYR   A 1 55  ? 37.443 -20.724 -23.222 1.00 56.95  ? 51  TYR   A CD2 1 
ATOM   404  C CE1 . TYR   A 1 55  ? 38.887 -23.074 -23.025 1.00 53.18  ? 51  TYR   A CE1 1 
ATOM   405  C CE2 . TYR   A 1 55  ? 38.662 -20.723 -22.547 1.00 49.91  ? 51  TYR   A CE2 1 
ATOM   406  C CZ  . TYR   A 1 55  ? 39.381 -21.907 -22.456 1.00 51.87  ? 51  TYR   A CZ  1 
ATOM   407  O OH  . TYR   A 1 55  ? 40.557 -21.957 -21.767 1.00 53.48  ? 51  TYR   A OH  1 
ATOM   408  N N   . ILE   A 1 56  ? 34.837 -22.488 -21.273 1.00 40.55  ? 52  ILE   A N   1 
ATOM   409  C CA  . ILE   A 1 56  ? 34.845 -22.002 -19.907 1.00 41.79  ? 52  ILE   A CA  1 
ATOM   410  C C   . ILE   A 1 56  ? 36.052 -22.580 -19.194 1.00 44.83  ? 52  ILE   A C   1 
ATOM   411  O O   . ILE   A 1 56  ? 36.225 -23.797 -19.150 1.00 41.74  ? 52  ILE   A O   1 
ATOM   412  C CB  . ILE   A 1 56  ? 33.514 -22.270 -19.169 1.00 40.07  ? 52  ILE   A CB  1 
ATOM   413  C CG1 . ILE   A 1 56  ? 32.324 -21.746 -19.989 1.00 41.59  ? 52  ILE   A CG1 1 
ATOM   414  C CG2 . ILE   A 1 56  ? 33.572 -21.628 -17.792 1.00 39.55  ? 52  ILE   A CG2 1 
ATOM   415  C CD1 . ILE   A 1 56  ? 30.972 -21.883 -19.305 1.00 49.04  ? 52  ILE   A CD1 1 
ATOM   416  N N   . LYS   A 1 57  ? 36.878 -21.662 -18.669 1.00 43.92  ? 53  LYS   A N   1 
ATOM   417  C CA  . LYS   A 1 57  ? 38.041 -22.008 -17.870 1.00 41.89  ? 53  LYS   A CA  1 
ATOM   418  C C   . LYS   A 1 57  ? 37.822 -21.487 -16.455 1.00 41.31  ? 53  LYS   A C   1 
ATOM   419  O O   . LYS   A 1 57  ? 37.701 -20.279 -16.279 1.00 42.45  ? 53  LYS   A O   1 
ATOM   420  C CB  . LYS   A 1 57  ? 39.279 -21.314 -18.452 1.00 39.52  ? 53  LYS   A CB  1 
ATOM   421  C CG  . LYS   A 1 57  ? 40.567 -21.706 -17.723 1.00 47.28  ? 53  LYS   A CG  1 
ATOM   422  C CD  . LYS   A 1 57  ? 41.802 -21.293 -18.474 1.00 54.10  ? 53  LYS   A CD  1 
ATOM   423  C CE  . LYS   A 1 57  ? 42.427 -20.050 -17.875 1.00 64.44  ? 53  LYS   A CE  1 
ATOM   424  N NZ  . LYS   A 1 57  ? 42.653 -19.029 -18.917 1.00 72.71  ? 53  LYS   A NZ  1 
ATOM   425  N N   . VAL   A 1 58  ? 37.760 -22.400 -15.475 1.00 40.47  ? 54  VAL   A N   1 
ATOM   426  C CA  . VAL   A 1 58  ? 37.662 -22.059 -14.068 1.00 42.07  ? 54  VAL   A CA  1 
ATOM   427  C C   . VAL   A 1 58  ? 39.011 -22.365 -13.425 1.00 43.60  ? 54  VAL   A C   1 
ATOM   428  O O   . VAL   A 1 58  ? 39.574 -23.432 -13.618 1.00 45.95  ? 54  VAL   A O   1 
ATOM   429  C CB  . VAL   A 1 58  ? 36.571 -22.885 -13.355 1.00 41.97  ? 54  VAL   A CB  1 
ATOM   430  C CG1 . VAL   A 1 58  ? 36.369 -22.391 -11.935 1.00 47.23  ? 54  VAL   A CG1 1 
ATOM   431  C CG2 . VAL   A 1 58  ? 35.249 -22.897 -14.093 1.00 42.39  ? 54  VAL   A CG2 1 
ATOM   432  N N   . SER   A 1 59  ? 39.550 -21.423 -12.659 1.00 42.89  ? 55  SER   A N   1 
ATOM   433  C CA  . SER   A 1 59  ? 40.803 -21.699 -11.991 1.00 43.35  ? 55  SER   A CA  1 
ATOM   434  C C   . SER   A 1 59  ? 40.822 -21.050 -10.612 1.00 46.00  ? 55  SER   A C   1 
ATOM   435  O O   . SER   A 1 59  ? 40.051 -20.125 -10.320 1.00 44.80  ? 55  SER   A O   1 
ATOM   436  C CB  . SER   A 1 59  ? 41.954 -21.219 -12.839 1.00 53.65  ? 55  SER   A CB  1 
ATOM   437  O OG  . SER   A 1 59  ? 41.743 -19.870 -13.188 1.00 57.59  ? 55  SER   A OG  1 
ATOM   438  N N   . THR   A 1 60  ? 41.695 -21.613 -9.768  1.00 42.62  ? 56  THR   A N   1 
ATOM   439  C CA  . THR   A 1 60  ? 42.126 -21.054 -8.501  1.00 42.07  ? 56  THR   A CA  1 
ATOM   440  C C   . THR   A 1 60  ? 43.638 -20.852 -8.574  1.00 46.83  ? 56  THR   A C   1 
ATOM   441  O O   . THR   A 1 60  ? 44.242 -20.957 -9.642  1.00 42.93  ? 56  THR   A O   1 
ATOM   442  C CB  . THR   A 1 60  ? 41.763 -22.009 -7.360  1.00 45.32  ? 56  THR   A CB  1 
ATOM   443  O OG1 . THR   A 1 60  ? 42.294 -23.250 -7.811  1.00 48.59  ? 56  THR   A OG1 1 
ATOM   444  C CG2 . THR   A 1 60  ? 40.271 -22.166 -7.201  1.00 47.09  ? 56  THR   A CG2 1 
ATOM   445  N N   . THR   A 1 61  ? 44.234 -20.570 -7.415  1.00 44.01  ? 57  THR   A N   1 
ATOM   446  C CA  . THR   A 1 61  ? 45.672 -20.480 -7.251  1.00 45.00  ? 57  THR   A CA  1 
ATOM   447  C C   . THR   A 1 61  ? 46.406 -21.653 -7.918  1.00 42.35  ? 57  THR   A C   1 
ATOM   448  O O   . THR   A 1 61  ? 47.351 -21.407 -8.669  1.00 40.28  ? 57  THR   A O   1 
ATOM   449  C CB  . THR   A 1 61  ? 46.037 -20.139 -5.797  1.00 47.38  ? 57  THR   A CB  1 
ATOM   450  O OG1 . THR   A 1 61  ? 45.259 -18.961 -5.551  1.00 54.57  ? 57  THR   A OG1 1 
ATOM   451  C CG2 . THR   A 1 61  ? 47.494 -19.762 -5.625  1.00 44.63  ? 57  THR   A CG2 1 
ATOM   452  N N   . VAL   A 1 62  ? 46.023 -22.903 -7.626  1.00 39.23  ? 58  VAL   A N   1 
ATOM   453  C CA  . VAL   A 1 62  ? 46.875 -24.040 -8.001  1.00 36.98  ? 58  VAL   A CA  1 
ATOM   454  C C   . VAL   A 1 62  ? 46.247 -24.936 -9.073  1.00 41.19  ? 58  VAL   A C   1 
ATOM   455  O O   . VAL   A 1 62  ? 46.886 -25.860 -9.556  1.00 40.63  ? 58  VAL   A O   1 
ATOM   456  C CB  . VAL   A 1 62  ? 47.367 -24.855 -6.787  1.00 41.54  ? 58  VAL   A CB  1 
ATOM   457  C CG1 . VAL   A 1 62  ? 48.211 -23.987 -5.843  1.00 38.78  ? 58  VAL   A CG1 1 
ATOM   458  C CG2 . VAL   A 1 62  ? 46.202 -25.554 -6.046  1.00 40.31  ? 58  VAL   A CG2 1 
ATOM   459  N N   . TYR   A 1 63  ? 45.025 -24.630 -9.523  1.00 42.83  ? 59  TYR   A N   1 
ATOM   460  C CA  . TYR   A 1 63  ? 44.294 -25.614 -10.303 1.00 39.54  ? 59  TYR   A CA  1 
ATOM   461  C C   . TYR   A 1 63  ? 43.509 -24.887 -11.378 1.00 45.35  ? 59  TYR   A C   1 
ATOM   462  O O   . TYR   A 1 63  ? 43.066 -23.755 -11.171 1.00 45.82  ? 59  TYR   A O   1 
ATOM   463  C CB  . TYR   A 1 63  ? 43.327 -26.410 -9.409  1.00 41.26  ? 59  TYR   A CB  1 
ATOM   464  C CG  . TYR   A 1 63  ? 43.029 -27.764 -9.988  1.00 43.03  ? 59  TYR   A CG  1 
ATOM   465  C CD1 . TYR   A 1 63  ? 43.865 -28.841 -9.726  1.00 43.97  ? 59  TYR   A CD1 1 
ATOM   466  C CD2 . TYR   A 1 63  ? 41.960 -27.957 -10.859 1.00 48.22  ? 59  TYR   A CD2 1 
ATOM   467  C CE1 . TYR   A 1 63  ? 43.640 -30.087 -10.292 1.00 44.44  ? 59  TYR   A CE1 1 
ATOM   468  C CE2 . TYR   A 1 63  ? 41.726 -29.195 -11.444 1.00 47.20  ? 59  TYR   A CE2 1 
ATOM   469  C CZ  . TYR   A 1 63  ? 42.571 -30.262 -11.159 1.00 49.89  ? 59  TYR   A CZ  1 
ATOM   470  O OH  . TYR   A 1 63  ? 42.358 -31.501 -11.700 1.00 57.53  ? 59  TYR   A OH  1 
ATOM   471  N N   . THR   A 1 64  ? 43.366 -25.533 -12.535 1.00 40.95  ? 60  THR   A N   1 
ATOM   472  C CA  . THR   A 1 64  ? 42.644 -24.905 -13.618 1.00 41.93  ? 60  THR   A CA  1 
ATOM   473  C C   . THR   A 1 64  ? 41.976 -25.999 -14.431 1.00 49.43  ? 60  THR   A C   1 
ATOM   474  O O   . THR   A 1 64  ? 42.573 -27.067 -14.603 1.00 45.54  ? 60  THR   A O   1 
ATOM   475  C CB  . THR   A 1 64  ? 43.607 -24.048 -14.451 1.00 42.50  ? 60  THR   A CB  1 
ATOM   476  O OG1 . THR   A 1 64  ? 42.785 -23.364 -15.394 1.00 46.70  ? 60  THR   A OG1 1 
ATOM   477  C CG2 . THR   A 1 64  ? 44.632 -24.860 -15.212 1.00 44.50  ? 60  THR   A CG2 1 
ATOM   478  N N   . THR   A 1 65  ? 40.739 -25.746 -14.886 1.00 43.16  ? 61  THR   A N   1 
ATOM   479  C CA  . THR   A 1 65  ? 40.107 -26.664 -15.826 1.00 55.47  ? 61  THR   A CA  1 
ATOM   480  C C   . THR   A 1 65  ? 39.310 -25.893 -16.868 1.00 56.97  ? 61  THR   A C   1 
ATOM   481  O O   . THR   A 1 65  ? 38.919 -24.750 -16.650 1.00 46.81  ? 61  THR   A O   1 
ATOM   482  C CB  . THR   A 1 65  ? 39.341 -27.835 -15.193 1.00 59.47  ? 61  THR   A CB  1 
ATOM   483  O OG1 . THR   A 1 65  ? 38.818 -27.348 -13.972 1.00 60.40  ? 61  THR   A OG1 1 
ATOM   484  C CG2 . THR   A 1 65  ? 40.204 -29.058 -14.917 1.00 73.52  ? 61  THR   A CG2 1 
ATOM   485  N N   . GLU   A 1 66  ? 39.137 -26.551 -18.019 1.00 49.59  ? 62  GLU   A N   1 
ATOM   486  C CA  . GLU   A 1 66  ? 38.525 -25.976 -19.192 1.00 52.09  ? 62  GLU   A CA  1 
ATOM   487  C C   . GLU   A 1 66  ? 37.420 -26.918 -19.617 1.00 54.82  ? 62  GLU   A C   1 
ATOM   488  O O   . GLU   A 1 66  ? 37.615 -28.131 -19.573 1.00 50.09  ? 62  GLU   A O   1 
ATOM   489  C CB  . GLU   A 1 66  ? 39.513 -26.052 -20.337 1.00 51.53  ? 62  GLU   A CB  1 
ATOM   490  C CG  . GLU   A 1 66  ? 40.569 -24.988 -20.242 1.00 61.78  ? 62  GLU   A CG  1 
ATOM   491  C CD  . GLU   A 1 66  ? 41.574 -25.070 -21.375 1.00 67.14  ? 62  GLU   A CD  1 
ATOM   492  O OE1 . GLU   A 1 66  ? 41.830 -26.197 -21.858 1.00 77.01  ? 62  GLU   A OE1 1 
ATOM   493  O OE2 . GLU   A 1 66  ? 42.084 -24.010 -21.774 1.00 62.42  ? 62  GLU   A OE2 1 
ATOM   494  N N   . ILE   A 1 67  ? 36.274 -26.354 -20.003 1.00 48.48  ? 63  ILE   A N   1 
ATOM   495  C CA  . ILE   A 1 67  ? 35.266 -27.177 -20.639 1.00 51.42  ? 63  ILE   A CA  1 
ATOM   496  C C   . ILE   A 1 67  ? 34.791 -26.450 -21.879 1.00 52.09  ? 63  ILE   A C   1 
ATOM   497  O O   . ILE   A 1 67  ? 34.881 -25.228 -21.982 1.00 47.85  ? 63  ILE   A O   1 
ATOM   498  C CB  . ILE   A 1 67  ? 34.082 -27.541 -19.731 1.00 55.81  ? 63  ILE   A CB  1 
ATOM   499  C CG1 . ILE   A 1 67  ? 33.502 -26.310 -19.034 1.00 51.68  ? 63  ILE   A CG1 1 
ATOM   500  C CG2 . ILE   A 1 67  ? 34.449 -28.663 -18.763 1.00 58.93  ? 63  ILE   A CG2 1 
ATOM   501  C CD1 . ILE   A 1 67  ? 32.118 -26.532 -18.438 1.00 58.25  ? 63  ILE   A CD1 1 
ATOM   502  N N   . ASN   A 1 68  ? 34.332 -27.264 -22.821 1.00 49.74  ? 64  ASN   A N   1 
ATOM   503  C CA  . ASN   A 1 68  ? 33.775 -26.828 -24.079 1.00 51.71  ? 64  ASN   A CA  1 
ATOM   504  C C   . ASN   A 1 68  ? 32.434 -27.535 -24.172 1.00 53.43  ? 64  ASN   A C   1 
ATOM   505  O O   . ASN   A 1 68  ? 32.361 -28.721 -23.865 1.00 49.64  ? 64  ASN   A O   1 
ATOM   506  C CB  . ASN   A 1 68  ? 34.700 -27.198 -25.237 1.00 58.04  ? 64  ASN   A CB  1 
ATOM   507  C CG  . ASN   A 1 68  ? 35.954 -26.354 -25.231 1.00 60.98  ? 64  ASN   A CG  1 
ATOM   508  O OD1 . ASN   A 1 68  ? 36.002 -25.289 -25.846 1.00 57.85  ? 64  ASN   A OD1 1 
ATOM   509  N ND2 . ASN   A 1 68  ? 36.951 -26.794 -24.480 1.00 67.08  ? 64  ASN   A ND2 1 
ATOM   510  N N   . PHE   A 1 69  ? 31.375 -26.783 -24.473 1.00 46.96  ? 65  PHE   A N   1 
ATOM   511  C CA  . PHE   A 1 69  ? 30.086 -27.426 -24.640 1.00 46.58  ? 65  PHE   A CA  1 
ATOM   512  C C   . PHE   A 1 69  ? 29.206 -26.612 -25.585 1.00 44.30  ? 65  PHE   A C   1 
ATOM   513  O O   . PHE   A 1 69  ? 29.487 -25.461 -25.909 1.00 45.05  ? 65  PHE   A O   1 
ATOM   514  C CB  . PHE   A 1 69  ? 29.422 -27.705 -23.292 1.00 49.28  ? 65  PHE   A CB  1 
ATOM   515  C CG  . PHE   A 1 69  ? 28.942 -26.469 -22.573 1.00 54.50  ? 65  PHE   A CG  1 
ATOM   516  C CD1 . PHE   A 1 69  ? 27.741 -25.857 -22.930 1.00 45.80  ? 65  PHE   A CD1 1 
ATOM   517  C CD2 . PHE   A 1 69  ? 29.699 -25.915 -21.545 1.00 49.77  ? 65  PHE   A CD2 1 
ATOM   518  C CE1 . PHE   A 1 69  ? 27.308 -24.725 -22.255 1.00 46.18  ? 65  PHE   A CE1 1 
ATOM   519  C CE2 . PHE   A 1 69  ? 29.265 -24.772 -20.881 1.00 46.48  ? 65  PHE   A CE2 1 
ATOM   520  C CZ  . PHE   A 1 69  ? 28.081 -24.172 -21.252 1.00 45.83  ? 65  PHE   A CZ  1 
ATOM   521  N N   . LYS   A 1 70  ? 28.164 -27.271 -26.075 1.00 45.19  ? 66  LYS   A N   1 
ATOM   522  C CA  . LYS   A 1 70  ? 27.156 -26.593 -26.874 1.00 49.47  ? 66  LYS   A CA  1 
ATOM   523  C C   . LYS   A 1 70  ? 25.855 -26.839 -26.132 1.00 45.45  ? 66  LYS   A C   1 
ATOM   524  O O   . LYS   A 1 70  ? 25.611 -27.971 -25.680 1.00 40.79  ? 66  LYS   A O   1 
ATOM   525  C CB  . LYS   A 1 70  ? 27.068 -27.239 -28.260 1.00 54.54  ? 66  LYS   A CB  1 
ATOM   526  C CG  . LYS   A 1 70  ? 26.435 -26.416 -29.374 1.00 68.00  ? 66  LYS   A CG  1 
ATOM   527  C CD  . LYS   A 1 70  ? 26.650 -27.098 -30.728 1.00 75.60  ? 66  LYS   A CD  1 
ATOM   528  C CE  . LYS   A 1 70  ? 26.136 -26.306 -31.907 1.00 78.46  ? 66  LYS   A CE  1 
ATOM   529  N NZ  . LYS   A 1 70  ? 24.826 -25.692 -31.596 1.00 74.65  ? 66  LYS   A NZ  1 
ATOM   530  N N   . VAL   A 1 71  ? 25.082 -25.760 -25.958 1.00 42.37  ? 67  VAL   A N   1 
ATOM   531  C CA  . VAL   A 1 71  ? 23.795 -25.934 -25.313 1.00 43.59  ? 67  VAL   A CA  1 
ATOM   532  C C   . VAL   A 1 71  ? 23.039 -26.984 -26.127 1.00 45.88  ? 67  VAL   A C   1 
ATOM   533  O O   . VAL   A 1 71  ? 23.072 -26.957 -27.350 1.00 45.47  ? 67  VAL   A O   1 
ATOM   534  C CB  . VAL   A 1 71  ? 23.013 -24.618 -25.264 1.00 47.16  ? 67  VAL   A CB  1 
ATOM   535  C CG1 . VAL   A 1 71  ? 21.596 -24.909 -24.768 1.00 46.68  ? 67  VAL   A CG1 1 
ATOM   536  C CG2 . VAL   A 1 71  ? 23.746 -23.592 -24.393 1.00 41.61  ? 67  VAL   A CG2 1 
ATOM   537  N N   . GLY   A 1 72  ? 22.433 -27.952 -25.448 1.00 40.36  ? 68  GLY   A N   1 
ATOM   538  C CA  . GLY   A 1 72  ? 21.635 -28.910 -26.177 1.00 46.07  ? 68  GLY   A CA  1 
ATOM   539  C C   . GLY   A 1 72  ? 22.401 -30.198 -26.456 1.00 52.24  ? 68  GLY   A C   1 
ATOM   540  O O   . GLY   A 1 72  ? 21.766 -31.200 -26.759 1.00 53.14  ? 68  GLY   A O   1 
ATOM   541  N N   . GLU   A 1 73  ? 23.740 -30.192 -26.315 1.00 57.51  ? 69  GLU   A N   1 
ATOM   542  C CA  . GLU   A 1 73  ? 24.500 -31.399 -26.629 1.00 52.65  ? 69  GLU   A CA  1 
ATOM   543  C C   . GLU   A 1 73  ? 25.221 -31.961 -25.412 1.00 53.15  ? 69  GLU   A C   1 
ATOM   544  O O   . GLU   A 1 73  ? 25.968 -31.263 -24.728 1.00 54.64  ? 69  GLU   A O   1 
ATOM   545  C CB  . GLU   A 1 73  ? 25.518 -31.165 -27.738 1.00 56.08  ? 69  GLU   A CB  1 
ATOM   546  C CG  . GLU   A 1 73  ? 24.871 -30.899 -29.078 1.00 66.43  ? 69  GLU   A CG  1 
ATOM   547  C CD  . GLU   A 1 73  ? 25.881 -30.658 -30.191 1.00 80.63  ? 69  GLU   A CD  1 
ATOM   548  O OE1 . GLU   A 1 73  ? 27.106 -30.866 -29.948 1.00 75.30  ? 69  GLU   A OE1 1 
ATOM   549  O OE2 . GLU   A 1 73  ? 25.448 -30.253 -31.297 1.00 76.37  ? 69  GLU   A OE2 1 
ATOM   550  N N   . GLU   A 1 74  ? 25.028 -33.261 -25.204 1.00 54.35  ? 70  GLU   A N   1 
ATOM   551  C CA  . GLU   A 1 74  ? 25.631 -33.950 -24.083 1.00 61.72  ? 70  GLU   A CA  1 
ATOM   552  C C   . GLU   A 1 74  ? 27.146 -33.830 -24.151 1.00 51.51  ? 70  GLU   A C   1 
ATOM   553  O O   . GLU   A 1 74  ? 27.738 -33.765 -25.222 1.00 58.14  ? 70  GLU   A O   1 
ATOM   554  C CB  . GLU   A 1 74  ? 25.138 -35.384 -23.998 1.00 61.92  ? 70  GLU   A CB  1 
ATOM   555  C CG  . GLU   A 1 74  ? 25.797 -36.138 -22.876 1.00 74.83  ? 70  GLU   A CG  1 
ATOM   556  C CD  . GLU   A 1 74  ? 24.939 -37.277 -22.370 1.00 88.47  ? 70  GLU   A CD  1 
ATOM   557  O OE1 . GLU   A 1 74  ? 23.695 -37.156 -22.469 1.00 86.48  ? 70  GLU   A OE1 1 
ATOM   558  O OE2 . GLU   A 1 74  ? 25.517 -38.276 -21.886 1.00 93.92  ? 70  GLU   A OE2 1 
ATOM   559  N N   . PHE   A 1 75  ? 27.759 -33.681 -22.980 1.00 57.54  ? 71  PHE   A N   1 
ATOM   560  C CA  . PHE   A 1 75  ? 29.211 -33.646 -22.919 1.00 57.73  ? 71  PHE   A CA  1 
ATOM   561  C C   . PHE   A 1 75  ? 29.623 -34.240 -21.585 1.00 60.00  ? 71  PHE   A C   1 
ATOM   562  O O   . PHE   A 1 75  ? 28.782 -34.475 -20.709 1.00 54.64  ? 71  PHE   A O   1 
ATOM   563  C CB  . PHE   A 1 75  ? 29.772 -32.238 -23.150 1.00 54.81  ? 71  PHE   A CB  1 
ATOM   564  C CG  . PHE   A 1 75  ? 29.496 -31.273 -22.025 1.00 53.67  ? 71  PHE   A CG  1 
ATOM   565  C CD1 . PHE   A 1 75  ? 28.246 -30.664 -21.896 1.00 55.62  ? 71  PHE   A CD1 1 
ATOM   566  C CD2 . PHE   A 1 75  ? 30.483 -30.964 -21.093 1.00 53.10  ? 71  PHE   A CD2 1 
ATOM   567  C CE1 . PHE   A 1 75  ? 27.979 -29.773 -20.861 1.00 50.60  ? 71  PHE   A CE1 1 
ATOM   568  C CE2 . PHE   A 1 75  ? 30.228 -30.057 -20.067 1.00 48.67  ? 71  PHE   A CE2 1 
ATOM   569  C CZ  . PHE   A 1 75  ? 28.974 -29.478 -19.941 1.00 50.79  ? 71  PHE   A CZ  1 
ATOM   570  N N   . GLU   A 1 76  ? 30.924 -34.500 -21.469 1.00 62.86  ? 72  GLU   A N   1 
ATOM   571  C CA  . GLU   A 1 76  ? 31.438 -35.115 -20.262 1.00 66.77  ? 72  GLU   A CA  1 
ATOM   572  C C   . GLU   A 1 76  ? 32.324 -34.121 -19.518 1.00 64.43  ? 72  GLU   A C   1 
ATOM   573  O O   . GLU   A 1 76  ? 33.125 -33.402 -20.116 1.00 64.41  ? 72  GLU   A O   1 
ATOM   574  C CB  . GLU   A 1 76  ? 32.122 -36.433 -20.590 1.00 66.56  ? 72  GLU   A CB  1 
ATOM   575  C CG  . GLU   A 1 76  ? 32.781 -37.021 -19.370 1.00 85.33  ? 72  GLU   A CG  1 
ATOM   576  C CD  . GLU   A 1 76  ? 33.617 -38.256 -19.643 1.00 93.15  ? 72  GLU   A CD  1 
ATOM   577  O OE1 . GLU   A 1 76  ? 33.237 -39.026 -20.557 1.00 87.15  ? 72  GLU   A OE1 1 
ATOM   578  O OE2 . GLU   A 1 76  ? 34.637 -38.445 -18.931 1.00 84.93  ? 72  GLU   A OE2 1 
ATOM   579  N N   . GLU   A 1 77  ? 32.113 -34.056 -18.204 1.00 63.47  ? 73  GLU   A N   1 
ATOM   580  C CA  . GLU   A 1 77  ? 32.877 -33.187 -17.326 1.00 67.85  ? 73  GLU   A CA  1 
ATOM   581  C C   . GLU   A 1 77  ? 33.034 -33.927 -16.001 1.00 60.00  ? 73  GLU   A C   1 
ATOM   582  O O   . GLU   A 1 77  ? 32.977 -35.154 -15.978 1.00 66.74  ? 73  GLU   A O   1 
ATOM   583  C CB  . GLU   A 1 77  ? 32.199 -31.810 -17.242 1.00 61.35  ? 73  GLU   A CB  1 
ATOM   584  C CG  . GLU   A 1 77  ? 30.867 -31.791 -16.510 1.00 56.18  ? 73  GLU   A CG  1 
ATOM   585  C CD  . GLU   A 1 77  ? 30.270 -30.413 -16.211 1.00 62.70  ? 73  GLU   A CD  1 
ATOM   586  O OE1 . GLU   A 1 77  ? 31.033 -29.426 -16.191 1.00 68.51  ? 73  GLU   A OE1 1 
ATOM   587  O OE2 . GLU   A 1 77  ? 29.039 -30.315 -15.975 1.00 59.43  ? 73  GLU   A OE2 1 
ATOM   588  N N   . GLN   A 1 78  ? 33.186 -33.190 -14.902 1.00 62.70  ? 74  GLN   A N   1 
ATOM   589  C CA  . GLN   A 1 78  ? 33.117 -33.822 -13.597 1.00 69.22  ? 74  GLN   A CA  1 
ATOM   590  C C   . GLN   A 1 78  ? 32.268 -32.986 -12.649 1.00 68.39  ? 74  GLN   A C   1 
ATOM   591  O O   . GLN   A 1 78  ? 32.019 -31.807 -12.899 1.00 71.42  ? 74  GLN   A O   1 
ATOM   592  C CB  . GLN   A 1 78  ? 34.516 -34.070 -13.033 1.00 76.00  ? 74  GLN   A CB  1 
ATOM   593  C CG  . GLN   A 1 78  ? 35.310 -32.790 -12.804 1.00 91.96  ? 74  GLN   A CG  1 
ATOM   594  C CD  . GLN   A 1 78  ? 36.772 -32.936 -13.152 1.00 101.72 ? 74  GLN   A CD  1 
ATOM   595  O OE1 . GLN   A 1 78  ? 37.309 -34.044 -13.221 1.00 92.51  ? 74  GLN   A OE1 1 
ATOM   596  N NE2 . GLN   A 1 78  ? 37.431 -31.807 -13.379 1.00 100.25 ? 74  GLN   A NE2 1 
ATOM   597  N N   . THR   A 1 79  ? 31.841 -33.632 -11.557 1.00 65.86  ? 75  THR   A N   1 
ATOM   598  C CA  . THR   A 1 79  ? 31.116 -33.004 -10.461 1.00 67.37  ? 75  THR   A CA  1 
ATOM   599  C C   . THR   A 1 79  ? 32.077 -32.117 -9.674  1.00 68.85  ? 75  THR   A C   1 
ATOM   600  O O   . THR   A 1 79  ? 33.291 -32.230 -9.848  1.00 70.31  ? 75  THR   A O   1 
ATOM   601  C CB  . THR   A 1 79  ? 30.506 -34.063 -9.527  1.00 72.72  ? 75  THR   A CB  1 
ATOM   602  O OG1 . THR   A 1 79  ? 31.564 -34.775 -8.877  1.00 62.71  ? 75  THR   A OG1 1 
ATOM   603  C CG2 . THR   A 1 79  ? 29.604 -35.045 -10.250 1.00 72.63  ? 75  THR   A CG2 1 
ATOM   604  N N   . VAL   A 1 80  ? 31.518 -31.251 -8.817  1.00 60.91  ? 76  VAL   A N   1 
ATOM   605  C CA  . VAL   A 1 80  ? 32.290 -30.331 -7.989  1.00 75.99  ? 76  VAL   A CA  1 
ATOM   606  C C   . VAL   A 1 80  ? 33.345 -31.118 -7.198  1.00 83.40  ? 76  VAL   A C   1 
ATOM   607  O O   . VAL   A 1 80  ? 34.426 -30.608 -6.902  1.00 81.77  ? 76  VAL   A O   1 
ATOM   608  C CB  . VAL   A 1 80  ? 31.375 -29.486 -7.072  1.00 75.02  ? 76  VAL   A CB  1 
ATOM   609  C CG1 . VAL   A 1 80  ? 32.139 -28.831 -5.930  1.00 72.73  ? 76  VAL   A CG1 1 
ATOM   610  C CG2 . VAL   A 1 80  ? 30.583 -28.434 -7.845  1.00 77.59  ? 76  VAL   A CG2 1 
ATOM   611  N N   . ASP   A 1 81  ? 33.039 -32.383 -6.887  1.00 86.80  ? 77  ASP   A N   1 
ATOM   612  C CA  . ASP   A 1 81  ? 33.944 -33.217 -6.114  1.00 86.93  ? 77  ASP   A CA  1 
ATOM   613  C C   . ASP   A 1 81  ? 34.669 -34.198 -7.044  1.00 87.82  ? 77  ASP   A C   1 
ATOM   614  O O   . ASP   A 1 81  ? 35.158 -35.243 -6.609  1.00 95.03  ? 77  ASP   A O   1 
ATOM   615  C CB  . ASP   A 1 81  ? 33.240 -33.818 -4.888  1.00 81.73  ? 77  ASP   A CB  1 
ATOM   616  C CG  . ASP   A 1 81  ? 32.387 -35.041 -5.191  1.00 93.70  ? 77  ASP   A CG  1 
ATOM   617  O OD1 . ASP   A 1 81  ? 31.306 -34.865 -5.786  1.00 93.00  ? 77  ASP   A OD1 1 
ATOM   618  O OD2 . ASP   A 1 81  ? 32.819 -36.168 -4.836  1.00 96.74  ? 77  ASP   A OD2 1 
ATOM   619  N N   . GLY   A 1 82  ? 34.740 -33.857 -8.336  1.00 73.82  ? 78  GLY   A N   1 
ATOM   620  C CA  . GLY   A 1 82  ? 35.686 -34.502 -9.235  1.00 67.45  ? 78  GLY   A CA  1 
ATOM   621  C C   . GLY   A 1 82  ? 35.256 -35.868 -9.771  1.00 69.34  ? 78  GLY   A C   1 
ATOM   622  O O   . GLY   A 1 82  ? 36.035 -36.516 -10.479 1.00 59.27  ? 78  GLY   A O   1 
ATOM   623  N N   . ARG   A 1 83  ? 34.018 -36.299 -9.485  1.00 73.48  ? 79  ARG   A N   1 
ATOM   624  C CA  A ARG   A 1 83  ? 33.505 -37.520 -10.092 0.50 76.86  ? 79  ARG   A CA  1 
ATOM   625  C CA  B ARG   A 1 83  ? 33.485 -37.516 -10.086 0.50 78.44  ? 79  ARG   A CA  1 
ATOM   626  C C   . ARG   A 1 83  ? 33.102 -37.238 -11.543 1.00 81.18  ? 79  ARG   A C   1 
ATOM   627  O O   . ARG   A 1 83  ? 32.328 -36.317 -11.821 1.00 68.65  ? 79  ARG   A O   1 
ATOM   628  C CB  A ARG   A 1 83  ? 32.356 -38.103 -9.260  0.50 73.92  ? 79  ARG   A CB  1 
ATOM   629  C CB  B ARG   A 1 83  ? 32.250 -38.028 -9.332  0.50 78.11  ? 79  ARG   A CB  1 
ATOM   630  C CG  A ARG   A 1 83  ? 32.763 -38.592 -7.876  0.50 69.33  ? 79  ARG   A CG  1 
ATOM   631  C CG  B ARG   A 1 83  ? 32.385 -38.161 -7.821  0.50 75.32  ? 79  ARG   A CG  1 
ATOM   632  C CD  A ARG   A 1 83  ? 31.656 -39.396 -7.220  0.50 67.34  ? 79  ARG   A CD  1 
ATOM   633  C CD  B ARG   A 1 83  ? 31.177 -38.925 -7.306  0.50 73.69  ? 79  ARG   A CD  1 
ATOM   634  N NE  A ARG   A 1 83  ? 31.413 -40.652 -7.917  0.50 61.30  ? 79  ARG   A NE  1 
ATOM   635  N NE  B ARG   A 1 83  ? 30.580 -38.410 -6.084  0.50 70.48  ? 79  ARG   A NE  1 
ATOM   636  C CZ  A ARG   A 1 83  ? 30.529 -41.557 -7.527  0.50 59.38  ? 79  ARG   A CZ  1 
ATOM   637  C CZ  B ARG   A 1 83  ? 29.808 -37.332 -6.020  0.50 70.46  ? 79  ARG   A CZ  1 
ATOM   638  N NH1 A ARG   A 1 83  ? 29.790 -41.336 -6.453  0.50 52.60  ? 79  ARG   A NH1 1 
ATOM   639  N NH1 B ARG   A 1 83  ? 29.555 -36.628 -7.109  0.50 64.77  ? 79  ARG   A NH1 1 
ATOM   640  N NH2 A ARG   A 1 83  ? 30.383 -42.670 -8.222  0.50 58.20  ? 79  ARG   A NH2 1 
ATOM   641  N NH2 B ARG   A 1 83  ? 29.304 -36.947 -4.863  0.50 74.08  ? 79  ARG   A NH2 1 
ATOM   642  N N   . PRO   A 1 84  ? 33.630 -38.000 -12.536 1.00 82.07  ? 80  PRO   A N   1 
ATOM   643  C CA  . PRO   A 1 84  ? 33.217 -37.825 -13.931 1.00 81.17  ? 80  PRO   A CA  1 
ATOM   644  C C   . PRO   A 1 84  ? 31.718 -38.048 -14.135 1.00 86.99  ? 80  PRO   A C   1 
ATOM   645  O O   . PRO   A 1 84  ? 31.122 -38.954 -13.551 1.00 87.78  ? 80  PRO   A O   1 
ATOM   646  C CB  . PRO   A 1 84  ? 34.055 -38.860 -14.702 1.00 79.77  ? 80  PRO   A CB  1 
ATOM   647  C CG  . PRO   A 1 84  ? 35.271 -39.084 -13.812 1.00 77.20  ? 80  PRO   A CG  1 
ATOM   648  C CD  . PRO   A 1 84  ? 34.715 -38.992 -12.402 1.00 88.56  ? 80  PRO   A CD  1 
ATOM   649  N N   . CYS   A 1 85  ? 31.112 -37.189 -14.963 1.00 75.87  ? 81  CYS   A N   1 
ATOM   650  C CA  . CYS   A 1 85  ? 29.672 -37.227 -15.152 1.00 71.81  ? 81  CYS   A CA  1 
ATOM   651  C C   . CYS   A 1 85  ? 29.351 -36.869 -16.599 1.00 70.32  ? 81  CYS   A C   1 
ATOM   652  O O   . CYS   A 1 85  ? 30.221 -36.349 -17.309 1.00 69.57  ? 81  CYS   A O   1 
ATOM   653  C CB  . CYS   A 1 85  ? 28.968 -36.304 -14.162 1.00 65.92  ? 81  CYS   A CB  1 
ATOM   654  S SG  . CYS   A 1 85  ? 29.349 -34.543 -14.378 1.00 64.49  ? 81  CYS   A SG  1 
ATOM   655  N N   . LYS   A 1 86  ? 28.119 -37.192 -17.034 1.00 62.46  ? 82  LYS   A N   1 
ATOM   656  C CA  . LYS   A 1 86  ? 27.626 -36.655 -18.300 1.00 66.25  ? 82  LYS   A CA  1 
ATOM   657  C C   . LYS   A 1 86  ? 26.692 -35.468 -18.055 1.00 55.10  ? 82  LYS   A C   1 
ATOM   658  O O   . LYS   A 1 86  ? 25.833 -35.508 -17.178 1.00 55.01  ? 82  LYS   A O   1 
ATOM   659  C CB  . LYS   A 1 86  ? 27.076 -37.729 -19.242 1.00 63.87  ? 82  LYS   A CB  1 
ATOM   660  C CG  . LYS   A 1 86  ? 28.136 -38.361 -20.142 1.00 72.31  ? 82  LYS   A CG  1 
ATOM   661  N N   . SER   A 1 87  ? 26.872 -34.415 -18.857 1.00 49.81  ? 83  SER   A N   1 
ATOM   662  C CA  . SER   A 1 87  ? 26.219 -33.145 -18.584 1.00 52.70  ? 83  SER   A CA  1 
ATOM   663  C C   . SER   A 1 87  ? 25.431 -32.653 -19.808 1.00 49.29  ? 83  SER   A C   1 
ATOM   664  O O   . SER   A 1 87  ? 25.792 -32.915 -20.954 1.00 48.32  ? 83  SER   A O   1 
ATOM   665  C CB  . SER   A 1 87  ? 27.245 -32.148 -18.132 1.00 44.51  ? 83  SER   A CB  1 
ATOM   666  O OG  . SER   A 1 87  ? 27.510 -32.308 -16.749 1.00 49.42  ? 83  SER   A OG  1 
ATOM   667  N N   . LEU   A 1 88  ? 24.349 -31.917 -19.569 1.00 47.21  ? 84  LEU   A N   1 
ATOM   668  C CA  . LEU   A 1 88  ? 23.533 -31.410 -20.678 1.00 46.43  ? 84  LEU   A CA  1 
ATOM   669  C C   . LEU   A 1 88  ? 22.945 -30.076 -20.268 1.00 40.54  ? 84  LEU   A C   1 
ATOM   670  O O   . LEU   A 1 88  ? 22.199 -30.027 -19.286 1.00 44.62  ? 84  LEU   A O   1 
ATOM   671  C CB  . LEU   A 1 88  ? 22.364 -32.360 -20.919 1.00 41.13  ? 84  LEU   A CB  1 
ATOM   672  C CG  . LEU   A 1 88  ? 21.329 -31.905 -21.944 1.00 53.58  ? 84  LEU   A CG  1 
ATOM   673  C CD1 . LEU   A 1 88  ? 21.987 -31.730 -23.306 1.00 52.92  ? 84  LEU   A CD1 1 
ATOM   674  C CD2 . LEU   A 1 88  ? 20.192 -32.922 -22.031 1.00 47.94  ? 84  LEU   A CD2 1 
ATOM   675  N N   . VAL   A 1 89  ? 23.254 -29.038 -21.047 1.00 40.78  ? 85  VAL   A N   1 
ATOM   676  C CA  . VAL   A 1 89  ? 22.921 -27.678 -20.649 1.00 40.66  ? 85  VAL   A CA  1 
ATOM   677  C C   . VAL   A 1 89  ? 21.740 -27.228 -21.503 1.00 44.44  ? 85  VAL   A C   1 
ATOM   678  O O   . VAL   A 1 89  ? 21.737 -27.516 -22.690 1.00 43.55  ? 85  VAL   A O   1 
ATOM   679  C CB  . VAL   A 1 89  ? 24.139 -26.753 -20.829 1.00 39.30  ? 85  VAL   A CB  1 
ATOM   680  C CG1 . VAL   A 1 89  ? 23.759 -25.294 -20.710 1.00 41.69  ? 85  VAL   A CG1 1 
ATOM   681  C CG2 . VAL   A 1 89  ? 25.240 -27.046 -19.819 1.00 37.42  ? 85  VAL   A CG2 1 
ATOM   682  N N   . LYS   A 1 90  ? 20.766 -26.531 -20.893 1.00 40.77  ? 86  LYS   A N   1 
ATOM   683  C CA  . LYS   A 1 90  ? 19.626 -25.961 -21.592 1.00 42.50  ? 86  LYS   A CA  1 
ATOM   684  C C   . LYS   A 1 90  ? 19.435 -24.523 -21.142 1.00 44.12  ? 86  LYS   A C   1 
ATOM   685  O O   . LYS   A 1 90  ? 19.833 -24.164 -20.035 1.00 42.33  ? 86  LYS   A O   1 
ATOM   686  C CB  . LYS   A 1 90  ? 18.361 -26.785 -21.330 1.00 40.85  ? 86  LYS   A CB  1 
ATOM   687  C CG  . LYS   A 1 90  ? 18.395 -28.128 -22.050 1.00 37.15  ? 86  LYS   A CG  1 
ATOM   688  C CD  . LYS   A 1 90  ? 17.370 -29.098 -21.555 1.00 44.45  ? 86  LYS   A CD  1 
ATOM   689  C CE  . LYS   A 1 90  ? 17.458 -30.413 -22.299 1.00 44.31  ? 86  LYS   A CE  1 
ATOM   690  N NZ  . LYS   A 1 90  ? 16.166 -31.123 -22.253 1.00 49.13  ? 86  LYS   A NZ  1 
ATOM   691  N N   . TRP   A 1 91  ? 18.857 -23.710 -22.036 1.00 38.33  ? 87  TRP   A N   1 
ATOM   692  C CA  . TRP   A 1 91  ? 18.551 -22.349 -21.668 1.00 39.66  ? 87  TRP   A CA  1 
ATOM   693  C C   . TRP   A 1 91  ? 17.303 -22.366 -20.804 1.00 45.76  ? 87  TRP   A C   1 
ATOM   694  O O   . TRP   A 1 91  ? 16.409 -23.181 -21.008 1.00 43.27  ? 87  TRP   A O   1 
ATOM   695  C CB  . TRP   A 1 91  ? 18.308 -21.509 -22.910 1.00 41.92  ? 87  TRP   A CB  1 
ATOM   696  C CG  . TRP   A 1 91  ? 19.484 -21.356 -23.818 1.00 44.90  ? 87  TRP   A CG  1 
ATOM   697  C CD1 . TRP   A 1 91  ? 19.669 -21.965 -25.026 1.00 42.94  ? 87  TRP   A CD1 1 
ATOM   698  C CD2 . TRP   A 1 91  ? 20.604 -20.483 -23.621 1.00 40.47  ? 87  TRP   A CD2 1 
ATOM   699  N NE1 . TRP   A 1 91  ? 20.831 -21.523 -25.597 1.00 45.58  ? 87  TRP   A NE1 1 
ATOM   700  C CE2 . TRP   A 1 91  ? 21.414 -20.598 -24.772 1.00 46.64  ? 87  TRP   A CE2 1 
ATOM   701  C CE3 . TRP   A 1 91  ? 20.964 -19.561 -22.626 1.00 44.24  ? 87  TRP   A CE3 1 
ATOM   702  C CZ2 . TRP   A 1 91  ? 22.599 -19.877 -24.925 1.00 41.84  ? 87  TRP   A CZ2 1 
ATOM   703  C CZ3 . TRP   A 1 91  ? 22.134 -18.849 -22.783 1.00 48.41  ? 87  TRP   A CZ3 1 
ATOM   704  C CH2 . TRP   A 1 91  ? 22.926 -18.988 -23.928 1.00 42.88  ? 87  TRP   A CH2 1 
ATOM   705  N N   . GLU   A 1 92  ? 17.237 -21.420 -19.870 1.00 47.00  ? 88  GLU   A N   1 
ATOM   706  C CA  . GLU   A 1 92  ? 16.042 -21.231 -19.087 1.00 45.76  ? 88  GLU   A CA  1 
ATOM   707  C C   . GLU   A 1 92  ? 15.499 -19.834 -19.378 1.00 48.34  ? 88  GLU   A C   1 
ATOM   708  O O   . GLU   A 1 92  ? 14.307 -19.589 -19.202 1.00 48.64  ? 88  GLU   A O   1 
ATOM   709  C CB  . GLU   A 1 92  ? 16.408 -21.573 -17.645 1.00 54.74  ? 88  GLU   A CB  1 
ATOM   710  C CG  . GLU   A 1 92  ? 15.266 -21.526 -16.671 1.00 72.66  ? 88  GLU   A CG  1 
ATOM   711  C CD  . GLU   A 1 92  ? 15.807 -21.171 -15.297 1.00 80.19  ? 88  GLU   A CD  1 
ATOM   712  O OE1 . GLU   A 1 92  ? 15.513 -20.043 -14.828 1.00 82.75  ? 88  GLU   A OE1 1 
ATOM   713  O OE2 . GLU   A 1 92  ? 16.555 -22.001 -14.723 1.00 71.29  ? 88  GLU   A OE2 1 
ATOM   714  N N   . SER   A 1 93  ? 16.356 -18.944 -19.905 1.00 43.29  ? 89  SER   A N   1 
ATOM   715  C CA  . SER   A 1 93  ? 15.950 -17.622 -20.394 1.00 45.30  ? 89  SER   A CA  1 
ATOM   716  C C   . SER   A 1 93  ? 17.088 -17.076 -21.242 1.00 47.03  ? 89  SER   A C   1 
ATOM   717  O O   . SER   A 1 93  ? 18.035 -17.818 -21.528 1.00 48.13  ? 89  SER   A O   1 
ATOM   718  C CB  . SER   A 1 93  ? 15.632 -16.633 -19.250 1.00 45.53  ? 89  SER   A CB  1 
ATOM   719  O OG  . SER   A 1 93  ? 16.661 -16.676 -18.249 1.00 46.13  ? 89  SER   A OG  1 
ATOM   720  N N   . GLU   A 1 94  ? 17.046 -15.770 -21.553 1.00 43.70  ? 90  GLU   A N   1 
ATOM   721  C CA  . GLU   A 1 94  ? 18.027 -15.205 -22.464 1.00 46.20  ? 90  GLU   A CA  1 
ATOM   722  C C   . GLU   A 1 94  ? 19.460 -15.428 -21.954 1.00 47.01  ? 90  GLU   A C   1 
ATOM   723  O O   . GLU   A 1 94  ? 20.373 -15.820 -22.705 1.00 43.65  ? 90  GLU   A O   1 
ATOM   724  C CB  . GLU   A 1 94  ? 17.704 -13.722 -22.668 1.00 55.31  ? 90  GLU   A CB  1 
ATOM   725  C CG  . GLU   A 1 94  ? 18.759 -12.956 -23.458 1.00 58.17  ? 90  GLU   A CG  1 
ATOM   726  C CD  . GLU   A 1 94  ? 18.358 -11.543 -23.859 1.00 59.77  ? 90  GLU   A CD  1 
ATOM   727  O OE1 . GLU   A 1 94  ? 17.314 -11.067 -23.389 1.00 69.72  ? 90  GLU   A OE1 1 
ATOM   728  O OE2 . GLU   A 1 94  ? 19.075 -10.932 -24.667 1.00 69.56  ? 90  GLU   A OE2 1 
ATOM   729  N N   . ASN   A 1 95  ? 19.663 -15.150 -20.661 1.00 49.41  ? 91  ASN   A N   1 
ATOM   730  C CA  . ASN   A 1 95  ? 20.993 -15.237 -20.079 1.00 52.29  ? 91  ASN   A CA  1 
ATOM   731  C C   . ASN   A 1 95  ? 20.936 -16.078 -18.812 1.00 46.38  ? 91  ASN   A C   1 
ATOM   732  O O   . ASN   A 1 95  ? 21.595 -15.756 -17.838 1.00 48.70  ? 91  ASN   A O   1 
ATOM   733  C CB  . ASN   A 1 95  ? 21.583 -13.856 -19.761 1.00 60.33  ? 91  ASN   A CB  1 
ATOM   734  C CG  . ASN   A 1 95  ? 21.781 -12.965 -20.975 1.00 63.93  ? 91  ASN   A CG  1 
ATOM   735  O OD1 . ASN   A 1 95  ? 22.473 -13.328 -21.930 1.00 53.18  ? 91  ASN   A OD1 1 
ATOM   736  N ND2 . ASN   A 1 95  ? 21.195 -11.778 -20.930 1.00 60.52  ? 91  ASN   A ND2 1 
ATOM   737  N N   . LYS   A 1 96  ? 20.142 -17.147 -18.814 1.00 45.22  ? 92  LYS   A N   1 
ATOM   738  C CA  . LYS   A 1 96  ? 20.319 -18.158 -17.788 1.00 41.99  ? 92  LYS   A CA  1 
ATOM   739  C C   . LYS   A 1 96  ? 20.365 -19.535 -18.444 1.00 40.43  ? 92  LYS   A C   1 
ATOM   740  O O   . LYS   A 1 96  ? 19.556 -19.841 -19.312 1.00 37.80  ? 92  LYS   A O   1 
ATOM   741  C CB  . LYS   A 1 96  ? 19.259 -18.028 -16.692 1.00 40.98  ? 92  LYS   A CB  1 
ATOM   742  C CG  . LYS   A 1 96  ? 19.436 -19.042 -15.569 1.00 42.91  ? 92  LYS   A CG  1 
ATOM   743  C CD  . LYS   A 1 96  ? 18.664 -18.749 -14.290 1.00 56.14  ? 92  LYS   A CD  1 
ATOM   744  C CE  . LYS   A 1 96  ? 19.329 -19.444 -13.106 1.00 49.82  ? 92  LYS   A CE  1 
ATOM   745  N NZ  . LYS   A 1 96  ? 18.457 -19.517 -11.911 1.00 67.06  ? 92  LYS   A NZ  1 
ATOM   746  N N   . MET   A 1 97  ? 21.336 -20.353 -18.042 1.00 38.99  ? 93  MET   A N   1 
ATOM   747  C CA  . MET   A 1 97  ? 21.407 -21.719 -18.535 1.00 43.49  ? 93  MET   A CA  1 
ATOM   748  C C   . MET   A 1 97  ? 21.466 -22.643 -17.327 1.00 47.93  ? 93  MET   A C   1 
ATOM   749  O O   . MET   A 1 97  ? 21.904 -22.205 -16.249 1.00 39.25  ? 93  MET   A O   1 
ATOM   750  C CB  . MET   A 1 97  ? 22.643 -21.957 -19.416 1.00 44.78  ? 93  MET   A CB  1 
ATOM   751  C CG  . MET   A 1 97  ? 23.968 -21.874 -18.657 1.00 53.57  ? 93  MET   A CG  1 
ATOM   752  S SD  . MET   A 1 97  ? 25.413 -21.663 -19.763 1.00 58.06  ? 93  MET   A SD  1 
ATOM   753  C CE  . MET   A 1 97  ? 24.508 -21.306 -21.253 1.00 45.18  ? 93  MET   A CE  1 
ATOM   754  N N   . VAL   A 1 98  ? 21.014 -23.895 -17.535 1.00 41.01  ? 94  VAL   A N   1 
ATOM   755  C CA  . VAL   A 1 98  ? 20.910 -24.895 -16.473 1.00 43.42  ? 94  VAL   A CA  1 
ATOM   756  C C   . VAL   A 1 98  ? 21.503 -26.193 -17.002 1.00 46.89  ? 94  VAL   A C   1 
ATOM   757  O O   . VAL   A 1 98  ? 21.180 -26.599 -18.125 1.00 46.63  ? 94  VAL   A O   1 
ATOM   758  C CB  . VAL   A 1 98  ? 19.460 -25.182 -16.037 1.00 44.21  ? 94  VAL   A CB  1 
ATOM   759  C CG1 . VAL   A 1 98  ? 19.454 -26.218 -14.922 1.00 50.74  ? 94  VAL   A CG1 1 
ATOM   760  C CG2 . VAL   A 1 98  ? 18.696 -23.934 -15.615 1.00 54.73  ? 94  VAL   A CG2 1 
ATOM   761  N N   . CYS   A 1 99  ? 22.298 -26.860 -16.159 1.00 42.20  ? 95  CYS   A N   1 
ATOM   762  C CA  . CYS   A 1 99  ? 22.972 -28.093 -16.527 1.00 48.50  ? 95  CYS   A CA  1 
ATOM   763  C C   . CYS   A 1 99  ? 22.553 -29.189 -15.550 1.00 52.34  ? 95  CYS   A C   1 
ATOM   764  O O   . CYS   A 1 99  ? 22.708 -29.016 -14.340 1.00 50.08  ? 95  CYS   A O   1 
ATOM   765  C CB  . CYS   A 1 99  ? 24.477 -27.930 -16.371 1.00 48.74  ? 95  CYS   A CB  1 
ATOM   766  S SG  . CYS   A 1 99  ? 25.427 -29.350 -16.983 1.00 53.55  ? 95  CYS   A SG  1 
ATOM   767  N N   . GLU   A 1 100 ? 22.046 -30.302 -16.090 1.00 49.59  ? 96  GLU   A N   1 
ATOM   768  C CA  . GLU   A 1 100 ? 21.781 -31.515 -15.330 1.00 55.61  ? 96  GLU   A CA  1 
ATOM   769  C C   . GLU   A 1 100 ? 22.920 -32.494 -15.583 1.00 54.57  ? 96  GLU   A C   1 
ATOM   770  O O   . GLU   A 1 100 ? 23.282 -32.694 -16.738 1.00 57.68  ? 96  GLU   A O   1 
ATOM   771  C CB  . GLU   A 1 100 ? 20.512 -32.201 -15.842 1.00 54.77  ? 96  GLU   A CB  1 
ATOM   772  C CG  . GLU   A 1 100 ? 19.279 -31.323 -15.798 1.00 77.14  ? 96  GLU   A CG  1 
ATOM   773  C CD  . GLU   A 1 100 ? 18.739 -31.100 -14.394 1.00 95.39  ? 96  GLU   A CD  1 
ATOM   774  O OE1 . GLU   A 1 100 ? 18.087 -32.024 -13.860 1.00 117.10 ? 96  GLU   A OE1 1 
ATOM   775  O OE2 . GLU   A 1 100 ? 18.997 -30.019 -13.822 1.00 93.29  ? 96  GLU   A OE2 1 
ATOM   776  N N   . GLN   A 1 101 ? 23.442 -33.122 -14.514 1.00 58.48  ? 97  GLN   A N   1 
ATOM   777  C CA  . GLN   A 1 101 ? 24.554 -34.068 -14.598 1.00 56.93  ? 97  GLN   A CA  1 
ATOM   778  C C   . GLN   A 1 101 ? 24.128 -35.473 -14.141 1.00 58.71  ? 97  GLN   A C   1 
ATOM   779  O O   . GLN   A 1 101 ? 23.323 -35.630 -13.222 1.00 54.29  ? 97  GLN   A O   1 
ATOM   780  C CB  . GLN   A 1 101 ? 25.699 -33.609 -13.688 1.00 56.92  ? 97  GLN   A CB  1 
ATOM   781  C CG  . GLN   A 1 101 ? 26.098 -32.152 -13.877 1.00 59.27  ? 97  GLN   A CG  1 
ATOM   782  C CD  . GLN   A 1 101 ? 27.163 -31.704 -12.910 1.00 55.84  ? 97  GLN   A CD  1 
ATOM   783  O OE1 . GLN   A 1 101 ? 27.058 -31.923 -11.702 1.00 56.22  ? 97  GLN   A OE1 1 
ATOM   784  N NE2 . GLN   A 1 101 ? 28.199 -31.056 -13.433 1.00 59.80  ? 97  GLN   A NE2 1 
ATOM   785  N N   . LYS   A 1 102 ? 24.700 -36.507 -14.772 1.00 59.83  ? 98  LYS   A N   1 
ATOM   786  C CA  . LYS   A 1 102 ? 24.490 -37.891 -14.353 1.00 64.28  ? 98  LYS   A CA  1 
ATOM   787  C C   . LYS   A 1 102 ? 25.855 -38.568 -14.215 1.00 59.77  ? 98  LYS   A C   1 
ATOM   788  O O   . LYS   A 1 102 ? 26.690 -38.474 -15.122 1.00 60.58  ? 98  LYS   A O   1 
ATOM   789  C CB  . LYS   A 1 102 ? 23.633 -38.667 -15.369 1.00 63.92  ? 98  LYS   A CB  1 
ATOM   790  C CG  . LYS   A 1 102 ? 22.285 -38.057 -15.750 1.00 67.04  ? 98  LYS   A CG  1 
ATOM   791  N N   . LEU   A 1 103 ? 26.072 -39.273 -13.097 1.00 67.87  ? 99  LEU   A N   1 
ATOM   792  C CA  . LEU   A 1 103 ? 27.340 -39.964 -12.850 1.00 72.79  ? 99  LEU   A CA  1 
ATOM   793  C C   . LEU   A 1 103 ? 27.655 -40.960 -13.973 1.00 69.73  ? 99  LEU   A C   1 
ATOM   794  O O   . LEU   A 1 103 ? 26.759 -41.607 -14.516 1.00 70.55  ? 99  LEU   A O   1 
ATOM   795  C CB  . LEU   A 1 103 ? 27.291 -40.640 -11.474 1.00 64.86  ? 99  LEU   A CB  1 
ATOM   796  C CG  . LEU   A 1 103 ? 27.473 -39.696 -10.286 1.00 67.62  ? 99  LEU   A CG  1 
ATOM   797  C CD1 . LEU   A 1 103 ? 27.236 -40.422 -8.976  1.00 66.99  ? 99  LEU   A CD1 1 
ATOM   798  C CD2 . LEU   A 1 103 ? 28.858 -39.061 -10.288 1.00 68.18  ? 99  LEU   A CD2 1 
ATOM   799  N N   . LEU   A 1 104 ? 28.930 -41.042 -14.369 1.00 71.14  ? 100 LEU   A N   1 
ATOM   800  C CA  . LEU   A 1 104 ? 29.334 -42.041 -15.349 1.00 76.58  ? 100 LEU   A CA  1 
ATOM   801  C C   . LEU   A 1 104 ? 29.284 -43.418 -14.683 1.00 82.66  ? 100 LEU   A C   1 
ATOM   802  O O   . LEU   A 1 104 ? 28.517 -44.292 -15.084 1.00 85.61  ? 100 LEU   A O   1 
ATOM   803  C CB  . LEU   A 1 104 ? 30.750 -41.735 -15.850 1.00 73.23  ? 100 LEU   A CB  1 
ATOM   804  C CG  . LEU   A 1 104 ? 30.915 -40.575 -16.827 1.00 76.70  ? 100 LEU   A CG  1 
ATOM   805  C CD1 . LEU   A 1 104 ? 32.266 -40.679 -17.509 1.00 77.45  ? 100 LEU   A CD1 1 
ATOM   806  C CD2 . LEU   A 1 104 ? 29.812 -40.537 -17.875 1.00 66.69  ? 100 LEU   A CD2 1 
ATOM   807  N N   . LYS   A 1 105 ? 30.124 -43.598 -13.662 1.00 83.46  ? 101 LYS   A N   1 
ATOM   808  C CA  . LYS   A 1 105 ? 30.056 -44.773 -12.814 1.00 87.14  ? 101 LYS   A CA  1 
ATOM   809  C C   . LYS   A 1 105 ? 29.473 -44.348 -11.471 1.00 86.36  ? 101 LYS   A C   1 
ATOM   810  O O   . LYS   A 1 105 ? 29.495 -43.167 -11.132 1.00 88.20  ? 101 LYS   A O   1 
ATOM   811  C CB  . LYS   A 1 105 ? 31.407 -45.501 -12.724 1.00 82.94  ? 101 LYS   A CB  1 
ATOM   812  C CG  . LYS   A 1 105 ? 32.619 -44.789 -13.320 1.00 85.89  ? 101 LYS   A CG  1 
ATOM   813  N N   . GLY   A 1 106 ? 28.884 -45.313 -10.758 1.00 83.53  ? 102 GLY   A N   1 
ATOM   814  C CA  . GLY   A 1 106 ? 28.606 -45.157 -9.341  1.00 75.99  ? 102 GLY   A CA  1 
ATOM   815  C C   . GLY   A 1 106 ? 27.222 -44.588 -9.036  1.00 86.43  ? 102 GLY   A C   1 
ATOM   816  O O   . GLY   A 1 106 ? 26.390 -44.419 -9.928  1.00 79.61  ? 102 GLY   A O   1 
ATOM   817  N N   . GLU   A 1 107 ? 27.000 -44.346 -7.738  1.00 83.31  ? 103 GLU   A N   1 
ATOM   818  C CA  . GLU   A 1 107 ? 25.829 -43.675 -7.209  1.00 84.96  ? 103 GLU   A CA  1 
ATOM   819  C C   . GLU   A 1 107 ? 26.335 -42.544 -6.315  1.00 89.59  ? 103 GLU   A C   1 
ATOM   820  O O   . GLU   A 1 107 ? 27.493 -42.551 -5.894  1.00 100.40 ? 103 GLU   A O   1 
ATOM   821  C CB  . GLU   A 1 107 ? 24.917 -44.676 -6.490  1.00 84.44  ? 103 GLU   A CB  1 
ATOM   822  N N   . GLY   A 1 108 ? 25.468 -41.558 -6.070  1.00 79.78  ? 104 GLY   A N   1 
ATOM   823  C CA  . GLY   A 1 108 ? 25.805 -40.367 -5.308  1.00 70.50  ? 104 GLY   A CA  1 
ATOM   824  C C   . GLY   A 1 108 ? 24.672 -39.342 -5.359  1.00 70.27  ? 104 GLY   A C   1 
ATOM   825  O O   . GLY   A 1 108 ? 23.601 -39.631 -5.876  1.00 79.06  ? 104 GLY   A O   1 
ATOM   826  N N   . PRO   A 1 109 ? 24.846 -38.115 -4.817  1.00 68.03  ? 105 PRO   A N   1 
ATOM   827  C CA  . PRO   A 1 109 ? 23.752 -37.142 -4.757  1.00 66.84  ? 105 PRO   A CA  1 
ATOM   828  C C   . PRO   A 1 109 ? 23.446 -36.560 -6.138  1.00 57.50  ? 105 PRO   A C   1 
ATOM   829  O O   . PRO   A 1 109 ? 24.284 -36.611 -7.033  1.00 55.99  ? 105 PRO   A O   1 
ATOM   830  C CB  . PRO   A 1 109 ? 24.301 -36.061 -3.812  1.00 65.59  ? 105 PRO   A CB  1 
ATOM   831  C CG  . PRO   A 1 109 ? 25.503 -36.715 -3.155  1.00 66.14  ? 105 PRO   A CG  1 
ATOM   832  C CD  . PRO   A 1 109 ? 26.090 -37.598 -4.228  1.00 70.11  ? 105 PRO   A CD  1 
ATOM   833  N N   . LYS   A 1 110 ? 22.230 -36.027 -6.303  1.00 66.26  ? 106 LYS   A N   1 
ATOM   834  C CA  . LYS   A 1 110 ? 21.803 -35.414 -7.560  1.00 70.14  ? 106 LYS   A CA  1 
ATOM   835  C C   . LYS   A 1 110 ? 22.458 -34.032 -7.690  1.00 67.86  ? 106 LYS   A C   1 
ATOM   836  O O   . LYS   A 1 110 ? 22.190 -33.141 -6.876  1.00 59.24  ? 106 LYS   A O   1 
ATOM   837  C CB  . LYS   A 1 110 ? 20.265 -35.345 -7.636  1.00 66.69  ? 106 LYS   A CB  1 
ATOM   838  C CG  . LYS   A 1 110 ? 19.672 -35.144 -9.031  1.00 68.00  ? 106 LYS   A CG  1 
ATOM   839  C CD  . LYS   A 1 110 ? 18.294 -34.488 -9.077  1.00 66.32  ? 106 LYS   A CD  1 
ATOM   840  N N   . THR   A 1 111 ? 23.308 -33.857 -8.720  1.00 62.25  ? 107 THR   A N   1 
ATOM   841  C CA  . THR   A 1 111 ? 24.019 -32.598 -8.902  1.00 58.87  ? 107 THR   A CA  1 
ATOM   842  C C   . THR   A 1 111 ? 23.522 -31.855 -10.141 1.00 62.38  ? 107 THR   A C   1 
ATOM   843  O O   . THR   A 1 111 ? 23.171 -32.457 -11.155 1.00 54.77  ? 107 THR   A O   1 
ATOM   844  C CB  . THR   A 1 111 ? 25.544 -32.783 -8.925  1.00 55.79  ? 107 THR   A CB  1 
ATOM   845  O OG1 . THR   A 1 111 ? 25.874 -33.749 -9.922  1.00 57.85  ? 107 THR   A OG1 1 
ATOM   846  C CG2 . THR   A 1 111 ? 26.105 -33.262 -7.600  1.00 57.23  ? 107 THR   A CG2 1 
ATOM   847  N N   . SER   A 1 112 ? 23.513 -30.524 -10.035 1.00 55.52  ? 108 SER   A N   1 
ATOM   848  C CA  . SER   A 1 112 ? 23.254 -29.638 -11.154 1.00 54.73  ? 108 SER   A CA  1 
ATOM   849  C C   . SER   A 1 112 ? 23.938 -28.282 -10.930 1.00 57.52  ? 108 SER   A C   1 
ATOM   850  O O   . SER   A 1 112 ? 24.502 -27.994 -9.865  1.00 52.88  ? 108 SER   A O   1 
ATOM   851  C CB  . SER   A 1 112 ? 21.771 -29.514 -11.383 1.00 46.97  ? 108 SER   A CB  1 
ATOM   852  O OG  . SER   A 1 112 ? 21.167 -28.843 -10.293 1.00 51.38  ? 108 SER   A OG  1 
ATOM   853  N N   . TRP   A 1 113 ? 23.943 -27.460 -11.974 1.00 53.01  ? 109 TRP   A N   1 
ATOM   854  C CA  . TRP   A 1 113 ? 24.502 -26.128 -11.856 1.00 53.12  ? 109 TRP   A CA  1 
ATOM   855  C C   . TRP   A 1 113 ? 23.756 -25.189 -12.783 1.00 54.34  ? 109 TRP   A C   1 
ATOM   856  O O   . TRP   A 1 113 ? 23.127 -25.658 -13.733 1.00 47.79  ? 109 TRP   A O   1 
ATOM   857  C CB  . TRP   A 1 113 ? 26.008 -26.096 -12.114 1.00 49.50  ? 109 TRP   A CB  1 
ATOM   858  C CG  . TRP   A 1 113 ? 26.543 -26.593 -13.426 1.00 51.36  ? 109 TRP   A CG  1 
ATOM   859  C CD1 . TRP   A 1 113 ? 27.185 -27.779 -13.624 1.00 52.66  ? 109 TRP   A CD1 1 
ATOM   860  C CD2 . TRP   A 1 113 ? 26.669 -25.871 -14.671 1.00 48.42  ? 109 TRP   A CD2 1 
ATOM   861  N NE1 . TRP   A 1 113 ? 27.669 -27.866 -14.901 1.00 53.94  ? 109 TRP   A NE1 1 
ATOM   862  C CE2 . TRP   A 1 113 ? 27.360 -26.714 -15.573 1.00 47.73  ? 109 TRP   A CE2 1 
ATOM   863  C CE3 . TRP   A 1 113 ? 26.271 -24.602 -15.112 1.00 51.49  ? 109 TRP   A CE3 1 
ATOM   864  C CZ2 . TRP   A 1 113 ? 27.653 -26.341 -16.886 1.00 43.28  ? 109 TRP   A CZ2 1 
ATOM   865  C CZ3 . TRP   A 1 113 ? 26.536 -24.234 -16.413 1.00 49.56  ? 109 TRP   A CZ3 1 
ATOM   866  C CH2 . TRP   A 1 113 ? 27.203 -25.103 -17.287 1.00 51.25  ? 109 TRP   A CH2 1 
ATOM   867  N N   . THR   A 1 114 ? 23.817 -23.891 -12.451 1.00 48.88  ? 110 THR   A N   1 
ATOM   868  C CA  . THR   A 1 114 ? 23.312 -22.817 -13.296 1.00 51.14  ? 110 THR   A CA  1 
ATOM   869  C C   . THR   A 1 114 ? 24.365 -21.719 -13.472 1.00 49.95  ? 110 THR   A C   1 
ATOM   870  O O   . THR   A 1 114 ? 25.279 -21.560 -12.674 1.00 51.72  ? 110 THR   A O   1 
ATOM   871  C CB  . THR   A 1 114 ? 21.979 -22.277 -12.780 1.00 49.86  ? 110 THR   A CB  1 
ATOM   872  O OG1 . THR   A 1 114 ? 22.300 -21.460 -11.654 1.00 60.32  ? 110 THR   A OG1 1 
ATOM   873  C CG2 . THR   A 1 114 ? 21.022 -23.381 -12.383 1.00 55.66  ? 110 THR   A CG2 1 
ATOM   874  N N   . LYS   A 1 115 ? 24.235 -20.975 -14.566 1.00 43.14  ? 111 LYS   A N   1 
ATOM   875  C CA  . LYS   A 1 115 ? 24.982 -19.755 -14.812 1.00 45.21  ? 111 LYS   A CA  1 
ATOM   876  C C   . LYS   A 1 115 ? 23.968 -18.738 -15.327 1.00 48.58  ? 111 LYS   A C   1 
ATOM   877  O O   . LYS   A 1 115 ? 23.163 -19.054 -16.213 1.00 46.09  ? 111 LYS   A O   1 
ATOM   878  C CB  . LYS   A 1 115 ? 26.139 -19.981 -15.799 1.00 46.86  ? 111 LYS   A CB  1 
ATOM   879  C CG  . LYS   A 1 115 ? 27.486 -20.373 -15.177 1.00 50.30  ? 111 LYS   A CG  1 
ATOM   880  C CD  . LYS   A 1 115 ? 28.603 -20.745 -16.157 1.00 54.63  ? 111 LYS   A CD  1 
ATOM   881  C CE  . LYS   A 1 115 ? 29.846 -21.311 -15.479 1.00 57.13  ? 111 LYS   A CE  1 
ATOM   882  N NZ  . LYS   A 1 115 ? 29.948 -22.791 -15.589 1.00 61.48  ? 111 LYS   A NZ  1 
ATOM   883  N N   . GLU   A 1 116 ? 24.024 -17.529 -14.753 1.00 41.46  ? 112 GLU   A N   1 
ATOM   884  C CA  . GLU   A 1 116 ? 23.159 -16.440 -15.143 1.00 46.82  ? 112 GLU   A CA  1 
ATOM   885  C C   . GLU   A 1 116 ? 23.918 -15.117 -15.177 1.00 50.80  ? 112 GLU   A C   1 
ATOM   886  O O   . GLU   A 1 116 ? 24.636 -14.777 -14.250 1.00 52.04  ? 112 GLU   A O   1 
ATOM   887  C CB  . GLU   A 1 116 ? 22.028 -16.310 -14.126 1.00 45.04  ? 112 GLU   A CB  1 
ATOM   888  C CG  . GLU   A 1 116 ? 21.210 -15.084 -14.417 1.00 52.29  ? 112 GLU   A CG  1 
ATOM   889  C CD  . GLU   A 1 116 ? 19.949 -14.959 -13.588 1.00 59.84  ? 112 GLU   A CD  1 
ATOM   890  O OE1 . GLU   A 1 116 ? 19.838 -15.670 -12.552 1.00 66.33  ? 112 GLU   A OE1 1 
ATOM   891  O OE2 . GLU   A 1 116 ? 19.072 -14.175 -13.997 1.00 65.48  ? 112 GLU   A OE2 1 
ATOM   892  N N   . LEU   A 1 117 ? 23.691 -14.349 -16.237 1.00 47.77  ? 113 LEU   A N   1 
ATOM   893  C CA  . LEU   A 1 117 ? 24.112 -12.965 -16.345 1.00 50.65  ? 113 LEU   A CA  1 
ATOM   894  C C   . LEU   A 1 117 ? 22.930 -12.129 -15.880 1.00 54.59  ? 113 LEU   A C   1 
ATOM   895  O O   . LEU   A 1 117 ? 21.854 -12.273 -16.447 1.00 61.49  ? 113 LEU   A O   1 
ATOM   896  C CB  . LEU   A 1 117 ? 24.306 -12.713 -17.839 1.00 53.77  ? 113 LEU   A CB  1 
ATOM   897  C CG  . LEU   A 1 117 ? 25.645 -12.160 -18.311 1.00 60.92  ? 113 LEU   A CG  1 
ATOM   898  C CD1 . LEU   A 1 117 ? 25.558 -11.850 -19.801 1.00 55.85  ? 113 LEU   A CD1 1 
ATOM   899  C CD2 . LEU   A 1 117 ? 26.058 -10.917 -17.524 1.00 63.84  ? 113 LEU   A CD2 1 
ATOM   900  N N   . THR   A 1 118 ? 23.111 -11.282 -14.855 1.00 57.27  ? 114 THR   A N   1 
ATOM   901  C CA  . THR   A 1 118 ? 22.025 -10.457 -14.337 1.00 54.11  ? 114 THR   A CA  1 
ATOM   902  C C   . THR   A 1 118 ? 21.989 -9.139  -15.106 1.00 61.16  ? 114 THR   A C   1 
ATOM   903  O O   . THR   A 1 118 ? 22.922 -8.837  -15.856 1.00 59.03  ? 114 THR   A O   1 
ATOM   904  C CB  . THR   A 1 118 ? 22.205 -10.067 -12.863 1.00 51.07  ? 114 THR   A CB  1 
ATOM   905  O OG1 . THR   A 1 118 ? 23.347 -9.215  -12.785 1.00 56.85  ? 114 THR   A OG1 1 
ATOM   906  C CG2 . THR   A 1 118 ? 22.405 -11.241 -11.940 1.00 54.93  ? 114 THR   A CG2 1 
ATOM   907  N N   . ASN   A 1 119 ? 20.938 -8.340  -14.860 1.00 66.67  ? 115 ASN   A N   1 
ATOM   908  C CA  . ASN   A 1 119 ? 20.725 -7.090  -15.583 1.00 78.56  ? 115 ASN   A CA  1 
ATOM   909  C C   . ASN   A 1 119 ? 21.760 -6.018  -15.249 1.00 75.88  ? 115 ASN   A C   1 
ATOM   910  O O   . ASN   A 1 119 ? 22.020 -5.148  -16.075 1.00 79.49  ? 115 ASN   A O   1 
ATOM   911  C CB  . ASN   A 1 119 ? 19.301 -6.569  -15.426 1.00 82.19  ? 115 ASN   A CB  1 
ATOM   912  C CG  . ASN   A 1 119 ? 18.361 -7.330  -16.334 1.00 96.80  ? 115 ASN   A CG  1 
ATOM   913  O OD1 . ASN   A 1 119 ? 18.700 -7.633  -17.481 1.00 90.85  ? 115 ASN   A OD1 1 
ATOM   914  N ND2 . ASN   A 1 119 ? 17.193 -7.670  -15.818 1.00 104.05 ? 115 ASN   A ND2 1 
ATOM   915  N N   . ASP   A 1 120 ? 22.350 -6.080  -14.051 1.00 83.96  ? 116 ASP   A N   1 
ATOM   916  C CA  . ASP   A 1 120 ? 23.394 -5.125  -13.700 1.00 85.95  ? 116 ASP   A CA  1 
ATOM   917  C C   . ASP   A 1 120 ? 24.768 -5.800  -13.613 1.00 69.24  ? 116 ASP   A C   1 
ATOM   918  O O   . ASP   A 1 120 ? 25.574 -5.474  -12.747 1.00 72.26  ? 116 ASP   A O   1 
ATOM   919  C CB  . ASP   A 1 120 ? 22.984 -4.248  -12.512 1.00 100.22 ? 116 ASP   A CB  1 
ATOM   920  C CG  . ASP   A 1 120 ? 22.262 -5.017  -11.422 1.00 108.28 ? 116 ASP   A CG  1 
ATOM   921  O OD1 . ASP   A 1 120 ? 22.597 -6.208  -11.213 1.00 118.07 ? 116 ASP   A OD1 1 
ATOM   922  O OD2 . ASP   A 1 120 ? 21.368 -4.423  -10.799 1.00 107.41 ? 116 ASP   A OD2 1 
ATOM   923  N N   . GLY   A 1 121 ? 25.004 -6.767  -14.508 1.00 63.69  ? 117 GLY   A N   1 
ATOM   924  C CA  . GLY   A 1 121 ? 26.334 -7.156  -14.950 1.00 57.05  ? 117 GLY   A CA  1 
ATOM   925  C C   . GLY   A 1 121 ? 27.052 -8.140  -14.025 1.00 53.26  ? 117 GLY   A C   1 
ATOM   926  O O   . GLY   A 1 121 ? 28.269 -8.255  -14.114 1.00 59.65  ? 117 GLY   A O   1 
ATOM   927  N N   . GLU   A 1 122 ? 26.320 -8.836  -13.146 1.00 48.36  ? 118 GLU   A N   1 
ATOM   928  C CA  . GLU   A 1 122 ? 26.927 -9.918  -12.378 1.00 50.64  ? 118 GLU   A CA  1 
ATOM   929  C C   . GLU   A 1 122 ? 26.766 -11.247 -13.125 1.00 50.96  ? 118 GLU   A C   1 
ATOM   930  O O   . GLU   A 1 122 ? 25.803 -11.436 -13.865 1.00 45.79  ? 118 GLU   A O   1 
ATOM   931  C CB  . GLU   A 1 122 ? 26.274 -10.032 -11.002 1.00 48.50  ? 118 GLU   A CB  1 
ATOM   932  C CG  . GLU   A 1 122 ? 26.541 -8.794  -10.142 1.00 60.30  ? 118 GLU   A CG  1 
ATOM   933  C CD  . GLU   A 1 122 ? 26.120 -8.861  -8.683  1.00 58.95  ? 118 GLU   A CD  1 
ATOM   934  O OE1 . GLU   A 1 122 ? 25.172 -9.593  -8.362  1.00 66.74  ? 118 GLU   A OE1 1 
ATOM   935  O OE2 . GLU   A 1 122 ? 26.767 -8.197  -7.860  1.00 72.49  ? 118 GLU   A OE2 1 
ATOM   936  N N   . LEU   A 1 123 ? 27.691 -12.183 -12.873 1.00 52.06  ? 119 LEU   A N   1 
ATOM   937  C CA  . LEU   A 1 123 ? 27.477 -13.580 -13.214 1.00 46.58  ? 119 LEU   A CA  1 
ATOM   938  C C   . LEU   A 1 123 ? 27.218 -14.364 -11.936 1.00 44.81  ? 119 LEU   A C   1 
ATOM   939  O O   . LEU   A 1 123 ? 28.033 -14.377 -11.022 1.00 51.85  ? 119 LEU   A O   1 
ATOM   940  C CB  . LEU   A 1 123 ? 28.711 -14.078 -13.949 1.00 45.71  ? 119 LEU   A CB  1 
ATOM   941  C CG  . LEU   A 1 123 ? 28.734 -15.572 -14.247 1.00 48.76  ? 119 LEU   A CG  1 
ATOM   942  C CD1 . LEU   A 1 123 ? 27.752 -15.878 -15.350 1.00 46.10  ? 119 LEU   A CD1 1 
ATOM   943  C CD2 . LEU   A 1 123 ? 30.137 -15.970 -14.665 1.00 51.13  ? 119 LEU   A CD2 1 
ATOM   944  N N   . ILE   A 1 124 ? 26.041 -14.967 -11.859 1.00 45.66  ? 120 ILE   A N   1 
ATOM   945  C CA  . ILE   A 1 124 ? 25.725 -15.864 -10.763 1.00 44.81  ? 120 ILE   A CA  1 
ATOM   946  C C   . ILE   A 1 124 ? 25.868 -17.317 -11.200 1.00 47.46  ? 120 ILE   A C   1 
ATOM   947  O O   . ILE   A 1 124 ? 25.297 -17.705 -12.216 1.00 49.89  ? 120 ILE   A O   1 
ATOM   948  C CB  . ILE   A 1 124 ? 24.325 -15.579 -10.232 1.00 44.44  ? 120 ILE   A CB  1 
ATOM   949  C CG1 . ILE   A 1 124 ? 24.192 -14.073 -9.961  1.00 54.03  ? 120 ILE   A CG1 1 
ATOM   950  C CG2 . ILE   A 1 124 ? 24.103 -16.413 -8.976  1.00 47.76  ? 120 ILE   A CG2 1 
ATOM   951  C CD1 . ILE   A 1 124 ? 22.877 -13.652 -9.343  1.00 59.42  ? 120 ILE   A CD1 1 
ATOM   952  N N   . LEU   A 1 125 ? 26.663 -18.074 -10.431 1.00 38.46  ? 121 LEU   A N   1 
ATOM   953  C CA  . LEU   A 1 125 ? 26.757 -19.520 -10.492 1.00 44.91  ? 121 LEU   A CA  1 
ATOM   954  C C   . LEU   A 1 125 ? 26.014 -20.093 -9.296  1.00 51.74  ? 121 LEU   A C   1 
ATOM   955  O O   . LEU   A 1 125 ? 26.209 -19.626 -8.165  1.00 47.60  ? 121 LEU   A O   1 
ATOM   956  C CB  . LEU   A 1 125 ? 28.233 -19.908 -10.384 1.00 53.57  ? 121 LEU   A CB  1 
ATOM   957  C CG  . LEU   A 1 125 ? 28.810 -20.565 -11.631 1.00 78.45  ? 121 LEU   A CG  1 
ATOM   958  C CD1 . LEU   A 1 125 ? 30.179 -19.985 -11.996 1.00 64.36  ? 121 LEU   A CD1 1 
ATOM   959  C CD2 . LEU   A 1 125 ? 28.818 -22.092 -11.478 1.00 82.40  ? 121 LEU   A CD2 1 
ATOM   960  N N   . THR   A 1 126 ? 25.131 -21.058 -9.559  1.00 48.78  ? 122 THR   A N   1 
ATOM   961  C CA  . THR   A 1 126 ? 24.634 -21.918 -8.493  1.00 50.22  ? 122 THR   A CA  1 
ATOM   962  C C   . THR   A 1 126 ? 25.029 -23.355 -8.802  1.00 52.84  ? 122 THR   A C   1 
ATOM   963  O O   . THR   A 1 126 ? 25.174 -23.727 -9.963  1.00 50.26  ? 122 THR   A O   1 
ATOM   964  C CB  . THR   A 1 126 ? 23.143 -21.739 -8.209  1.00 46.38  ? 122 THR   A CB  1 
ATOM   965  O OG1 . THR   A 1 126 ? 22.551 -22.603 -9.165  1.00 59.74  ? 122 THR   A OG1 1 
ATOM   966  C CG2 . THR   A 1 126 ? 22.629 -20.320 -8.383  1.00 42.96  ? 122 THR   A CG2 1 
ATOM   967  N N   . MET   A 1 127 ? 25.301 -24.111 -7.739  1.00 52.86  ? 123 MET   A N   1 
ATOM   968  C CA  . MET   A 1 127 ? 25.596 -25.534 -7.786  1.00 55.21  ? 123 MET   A CA  1 
ATOM   969  C C   . MET   A 1 127 ? 24.768 -26.205 -6.697  1.00 58.20  ? 123 MET   A C   1 
ATOM   970  O O   . MET   A 1 127 ? 24.711 -25.735 -5.557  1.00 55.48  ? 123 MET   A O   1 
ATOM   971  C CB  . MET   A 1 127 ? 27.061 -25.821 -7.490  1.00 53.93  ? 123 MET   A CB  1 
ATOM   972  C CG  . MET   A 1 127 ? 27.994 -25.471 -8.620  1.00 78.25  ? 123 MET   A CG  1 
ATOM   973  S SD  . MET   A 1 127 ? 29.572 -24.856 -7.971  1.00 91.85  ? 123 MET   A SD  1 
ATOM   974  C CE  . MET   A 1 127 ? 29.466 -23.147 -8.510  1.00 93.79  ? 123 MET   A CE  1 
ATOM   975  N N   . THR   A 1 128 ? 24.095 -27.283 -7.091  1.00 53.78  ? 124 THR   A N   1 
ATOM   976  C CA  . THR   A 1 128 ? 23.141 -27.960 -6.246  1.00 54.20  ? 124 THR   A CA  1 
ATOM   977  C C   . THR   A 1 128 ? 23.604 -29.398 -6.089  1.00 58.14  ? 124 THR   A C   1 
ATOM   978  O O   . THR   A 1 128 ? 24.041 -30.030 -7.043  1.00 53.57  ? 124 THR   A O   1 
ATOM   979  C CB  . THR   A 1 128 ? 21.731 -27.925 -6.840  1.00 55.12  ? 124 THR   A CB  1 
ATOM   980  O OG1 . THR   A 1 128 ? 21.416 -26.560 -7.092  1.00 59.28  ? 124 THR   A OG1 1 
ATOM   981  C CG2 . THR   A 1 128 ? 20.684 -28.473 -5.895  1.00 57.12  ? 124 THR   A CG2 1 
ATOM   982  N N   . ALA   A 1 129 ? 23.550 -29.870 -4.845  1.00 57.77  ? 125 ALA   A N   1 
ATOM   983  C CA  . ALA   A 1 129 ? 23.657 -31.286 -4.543  1.00 55.44  ? 125 ALA   A CA  1 
ATOM   984  C C   . ALA   A 1 129 ? 22.540 -31.604 -3.547  1.00 61.61  ? 125 ALA   A C   1 
ATOM   985  O O   . ALA   A 1 129 ? 22.442 -30.959 -2.499  1.00 59.94  ? 125 ALA   A O   1 
ATOM   986  C CB  . ALA   A 1 129 ? 25.043 -31.619 -4.038  1.00 49.88  ? 125 ALA   A CB  1 
ATOM   987  N N   . ASP   A 1 130 ? 21.630 -32.504 -3.959  1.00 65.25  ? 126 ASP   A N   1 
ATOM   988  C CA  . ASP   A 1 130 ? 20.382 -32.808 -3.265  1.00 59.07  ? 126 ASP   A CA  1 
ATOM   989  C C   . ASP   A 1 130 ? 19.656 -31.532 -2.859  1.00 59.22  ? 126 ASP   A C   1 
ATOM   990  O O   . ASP   A 1 130 ? 19.222 -30.760 -3.711  1.00 65.36  ? 126 ASP   A O   1 
ATOM   991  C CB  . ASP   A 1 130 ? 20.598 -33.786 -2.108  1.00 63.87  ? 126 ASP   A CB  1 
ATOM   992  C CG  . ASP   A 1 130 ? 21.046 -35.158 -2.585  1.00 64.86  ? 126 ASP   A CG  1 
ATOM   993  O OD1 . ASP   A 1 130 ? 20.646 -35.559 -3.695  1.00 70.69  ? 126 ASP   A OD1 1 
ATOM   994  O OD2 . ASP   A 1 130 ? 21.828 -35.798 -1.861  1.00 71.58  ? 126 ASP   A OD2 1 
ATOM   995  N N   . ASP   A 1 131 ? 19.571 -31.304 -1.546  1.00 64.40  ? 127 ASP   A N   1 
ATOM   996  C CA  . ASP   A 1 131 ? 18.761 -30.229 -0.999  1.00 63.78  ? 127 ASP   A CA  1 
ATOM   997  C C   . ASP   A 1 131 ? 19.545 -28.919 -0.895  1.00 66.79  ? 127 ASP   A C   1 
ATOM   998  O O   . ASP   A 1 131 ? 18.953 -27.909 -0.519  1.00 74.32  ? 127 ASP   A O   1 
ATOM   999  C CB  . ASP   A 1 131 ? 18.169 -30.631 0.357   1.00 64.75  ? 127 ASP   A CB  1 
ATOM   1000 N N   . VAL   A 1 132 ? 20.846 -28.907 -1.249  1.00 63.27  ? 128 VAL   A N   1 
ATOM   1001 C CA  . VAL   A 1 132 ? 21.741 -27.804 -0.881  1.00 56.30  ? 128 VAL   A CA  1 
ATOM   1002 C C   . VAL   A 1 132 ? 22.164 -27.016 -2.121  1.00 52.81  ? 128 VAL   A C   1 
ATOM   1003 O O   . VAL   A 1 132 ? 22.600 -27.609 -3.098  1.00 57.20  ? 128 VAL   A O   1 
ATOM   1004 C CB  . VAL   A 1 132 ? 22.991 -28.337 -0.146  1.00 63.80  ? 128 VAL   A CB  1 
ATOM   1005 C CG1 . VAL   A 1 132 ? 24.073 -27.267 0.035   1.00 46.83  ? 128 VAL   A CG1 1 
ATOM   1006 C CG2 . VAL   A 1 132 ? 22.643 -29.033 1.173   1.00 58.68  ? 128 VAL   A CG2 1 
ATOM   1007 N N   . VAL   A 1 133 ? 22.107 -25.680 -2.030  1.00 56.99  ? 129 VAL   A N   1 
ATOM   1008 C CA  . VAL   A 1 133 ? 22.418 -24.774 -3.129  1.00 54.78  ? 129 VAL   A CA  1 
ATOM   1009 C C   . VAL   A 1 133 ? 23.555 -23.819 -2.734  1.00 61.21  ? 129 VAL   A C   1 
ATOM   1010 O O   . VAL   A 1 133 ? 23.387 -22.918 -1.897  1.00 54.51  ? 129 VAL   A O   1 
ATOM   1011 C CB  . VAL   A 1 133 ? 21.166 -23.985 -3.572  1.00 57.87  ? 129 VAL   A CB  1 
ATOM   1012 C CG1 . VAL   A 1 133 ? 21.437 -23.087 -4.774  1.00 56.67  ? 129 VAL   A CG1 1 
ATOM   1013 C CG2 . VAL   A 1 133 ? 19.970 -24.887 -3.828  1.00 52.47  ? 129 VAL   A CG2 1 
ATOM   1014 N N   . CYS   A 1 134 ? 24.711 -23.994 -3.387  1.00 56.38  ? 130 CYS   A N   1 
ATOM   1015 C CA  . CYS   A 1 134 ? 25.797 -23.026 -3.303  1.00 52.35  ? 130 CYS   A CA  1 
ATOM   1016 C C   . CYS   A 1 134 ? 25.654 -21.959 -4.392  1.00 52.67  ? 130 CYS   A C   1 
ATOM   1017 O O   . CYS   A 1 134 ? 25.473 -22.277 -5.571  1.00 51.76  ? 130 CYS   A O   1 
ATOM   1018 C CB  . CYS   A 1 134 ? 27.147 -23.721 -3.421  1.00 54.34  ? 130 CYS   A CB  1 
ATOM   1019 S SG  . CYS   A 1 134 ? 28.522 -22.563 -3.632  1.00 52.69  ? 130 CYS   A SG  1 
ATOM   1020 N N   . THR   A 1 135 ? 25.704 -20.691 -3.973  1.00 43.59  ? 131 THR   A N   1 
ATOM   1021 C CA  . THR   A 1 135 ? 25.651 -19.550 -4.878  1.00 49.20  ? 131 THR   A CA  1 
ATOM   1022 C C   . THR   A 1 135 ? 26.992 -18.819 -4.861  1.00 47.97  ? 131 THR   A C   1 
ATOM   1023 O O   . THR   A 1 135 ? 27.565 -18.580 -3.797  1.00 51.07  ? 131 THR   A O   1 
ATOM   1024 C CB  . THR   A 1 135 ? 24.453 -18.647 -4.561  1.00 44.27  ? 131 THR   A CB  1 
ATOM   1025 O OG1 . THR   A 1 135 ? 23.296 -19.449 -4.760  1.00 54.59  ? 131 THR   A OG1 1 
ATOM   1026 C CG2 . THR   A 1 135 ? 24.318 -17.460 -5.488  1.00 46.37  ? 131 THR   A CG2 1 
ATOM   1027 N N   . GLN   A 1 136 ? 27.491 -18.476 -6.049  1.00 47.17  ? 132 GLN   A N   1 
ATOM   1028 C CA  . GLN   A 1 136 ? 28.744 -17.747 -6.165  1.00 45.63  ? 132 GLN   A CA  1 
ATOM   1029 C C   . GLN   A 1 136 ? 28.522 -16.593 -7.131  1.00 50.00  ? 132 GLN   A C   1 
ATOM   1030 O O   . GLN   A 1 136 ? 27.947 -16.799 -8.203  1.00 47.03  ? 132 GLN   A O   1 
ATOM   1031 C CB  . GLN   A 1 136 ? 29.864 -18.681 -6.623  1.00 49.68  ? 132 GLN   A CB  1 
ATOM   1032 C CG  . GLN   A 1 136 ? 30.285 -19.674 -5.545  1.00 49.95  ? 132 GLN   A CG  1 
ATOM   1033 C CD  . GLN   A 1 136 ? 31.489 -20.462 -5.993  1.00 59.36  ? 132 GLN   A CD  1 
ATOM   1034 O OE1 . GLN   A 1 136 ? 31.715 -20.690 -7.185  1.00 61.16  ? 132 GLN   A OE1 1 
ATOM   1035 N NE2 . GLN   A 1 136 ? 32.287 -20.876 -5.027  1.00 58.59  ? 132 GLN   A NE2 1 
ATOM   1036 N N   . VAL   A 1 137 ? 28.896 -15.374 -6.703  1.00 45.42  ? 133 VAL   A N   1 
ATOM   1037 C CA  . VAL   A 1 137 ? 28.641 -14.188 -7.502  1.00 44.78  ? 133 VAL   A CA  1 
ATOM   1038 C C   . VAL   A 1 137 ? 29.965 -13.681 -8.054  1.00 44.86  ? 133 VAL   A C   1 
ATOM   1039 O O   . VAL   A 1 137 ? 30.980 -13.668 -7.347  1.00 45.36  ? 133 VAL   A O   1 
ATOM   1040 C CB  . VAL   A 1 137 ? 27.881 -13.118 -6.701  1.00 45.05  ? 133 VAL   A CB  1 
ATOM   1041 C CG1 . VAL   A 1 137 ? 27.529 -11.933 -7.580  1.00 52.05  ? 133 VAL   A CG1 1 
ATOM   1042 C CG2 . VAL   A 1 137 ? 26.610 -13.710 -6.139  1.00 50.07  ? 133 VAL   A CG2 1 
ATOM   1043 N N   . PHE   A 1 138 ? 29.950 -13.265 -9.325  1.00 38.79  ? 134 PHE   A N   1 
ATOM   1044 C CA  . PHE   A 1 138 ? 31.184 -12.805 -9.950  1.00 40.75  ? 134 PHE   A CA  1 
ATOM   1045 C C   . PHE   A 1 138 ? 30.929 -11.465 -10.612 1.00 44.48  ? 134 PHE   A C   1 
ATOM   1046 O O   . PHE   A 1 138 ? 29.796 -11.178 -11.000 1.00 45.48  ? 134 PHE   A O   1 
ATOM   1047 C CB  . PHE   A 1 138 ? 31.669 -13.777 -11.042 1.00 41.27  ? 134 PHE   A CB  1 
ATOM   1048 C CG  . PHE   A 1 138 ? 32.005 -15.169 -10.569 1.00 44.18  ? 134 PHE   A CG  1 
ATOM   1049 C CD1 . PHE   A 1 138 ? 31.000 -16.050 -10.178 1.00 46.95  ? 134 PHE   A CD1 1 
ATOM   1050 C CD2 . PHE   A 1 138 ? 33.330 -15.587 -10.492 1.00 40.70  ? 134 PHE   A CD2 1 
ATOM   1051 C CE1 . PHE   A 1 138 ? 31.307 -17.334 -9.743  1.00 44.15  ? 134 PHE   A CE1 1 
ATOM   1052 C CE2 . PHE   A 1 138 ? 33.632 -16.872 -10.054 1.00 47.07  ? 134 PHE   A CE2 1 
ATOM   1053 C CZ  . PHE   A 1 138 ? 32.619 -17.741 -9.684  1.00 42.51  ? 134 PHE   A CZ  1 
ATOM   1054 N N   . VAL   A 1 139 ? 32.010 -10.686 -10.776 1.00 49.67  ? 135 VAL   A N   1 
ATOM   1055 C CA  . VAL   A 1 139 ? 31.969 -9.441  -11.522 1.00 47.27  ? 135 VAL   A CA  1 
ATOM   1056 C C   . VAL   A 1 139 ? 33.100 -9.472  -12.528 1.00 42.16  ? 135 VAL   A C   1 
ATOM   1057 O O   . VAL   A 1 139 ? 34.059 -10.208 -12.321 1.00 46.19  ? 135 VAL   A O   1 
ATOM   1058 C CB  . VAL   A 1 139 ? 32.118 -8.208  -10.604 1.00 49.92  ? 135 VAL   A CB  1 
ATOM   1059 C CG1 . VAL   A 1 139 ? 30.919 -8.067  -9.693  1.00 47.56  ? 135 VAL   A CG1 1 
ATOM   1060 C CG2 . VAL   A 1 139 ? 33.406 -8.259  -9.796  1.00 49.64  ? 135 VAL   A CG2 1 
ATOM   1061 N N   . ARG   A 1 140 ? 33.006 -8.617  -13.560 1.00 43.72  ? 136 ARG   A N   1 
ATOM   1062 C CA  . ARG   A 1 140 ? 34.046 -8.538  -14.576 1.00 51.75  ? 136 ARG   A CA  1 
ATOM   1063 C C   . ARG   A 1 140 ? 35.366 -8.067  -13.959 1.00 56.85  ? 136 ARG   A C   1 
ATOM   1064 O O   . ARG   A 1 140 ? 35.372 -7.160  -13.141 1.00 58.76  ? 136 ARG   A O   1 
ATOM   1065 C CB  . ARG   A 1 140 ? 33.583 -7.684  -15.757 1.00 50.36  ? 136 ARG   A CB  1 
ATOM   1066 C CG  . ARG   A 1 140 ? 32.315 -8.205  -16.425 1.00 50.26  ? 136 ARG   A CG  1 
ATOM   1067 C CD  . ARG   A 1 140 ? 32.010 -7.545  -17.760 1.00 51.99  ? 136 ARG   A CD  1 
ATOM   1068 N NE  . ARG   A 1 140 ? 30.775 -8.049  -18.346 1.00 52.35  ? 136 ARG   A NE  1 
ATOM   1069 C CZ  . ARG   A 1 140 ? 30.762 -9.039  -19.227 1.00 52.61  ? 136 ARG   A CZ  1 
ATOM   1070 N NH1 . ARG   A 1 140 ? 29.621 -9.498  -19.707 1.00 49.73  ? 136 ARG   A NH1 1 
ATOM   1071 N NH2 . ARG   A 1 140 ? 31.906 -9.593  -19.580 1.00 49.53  ? 136 ARG   A NH2 1 
ATOM   1072 N N   . GLU   A 1 141 ? 36.486 -8.690  -14.358 1.00 65.25  ? 137 GLU   A N   1 
ATOM   1073 C CA  . GLU   A 1 141 ? 37.809 -8.257  -13.931 1.00 75.69  ? 137 GLU   A CA  1 
ATOM   1074 C C   . GLU   A 1 141 ? 38.066 -6.807  -14.371 1.00 80.69  ? 137 GLU   A C   1 
ATOM   1075 O O   . GLU   A 1 141 ? 37.545 -6.328  -15.400 1.00 64.11  ? 137 GLU   A O   1 
ATOM   1076 C CB  . GLU   A 1 141 ? 38.904 -9.163  -14.490 1.00 72.24  ? 137 GLU   A CB  1 
ATOM   1077 C CG  . GLU   A 1 141 ? 39.460 -10.110 -13.443 1.00 87.90  ? 137 GLU   A CG  1 
ATOM   1078 C CD  . GLU   A 1 141 ? 40.517 -11.078 -13.957 1.00 93.98  ? 137 GLU   A CD  1 
ATOM   1079 O OE1 . GLU   A 1 141 ? 40.573 -12.214 -13.430 1.00 86.15  ? 137 GLU   A OE1 1 
ATOM   1080 O OE2 . GLU   A 1 141 ? 41.288 -10.699 -14.884 1.00 90.07  ? 137 GLU   A OE2 1 
ATOM   1081 O OXT . GLU   A 1 141 ? 38.819 -6.093  -13.675 1.00 77.62  ? 137 GLU   A OXT 1 
HETATM 1082 C CAM . A1IQZ B 2 .   ? 30.178 -26.672 -10.955 0.60 74.89  ? 201 A1IQZ A CAM 1 
HETATM 1083 O OAL . A1IQZ B 2 .   ? 31.080 -25.777 -11.583 0.60 77.71  ? 201 A1IQZ A OAL 1 
HETATM 1084 C CAJ . A1IQZ B 2 .   ? 30.668 -25.329 -12.810 0.60 73.92  ? 201 A1IQZ A CAJ 1 
HETATM 1085 O OAK . A1IQZ B 2 .   ? 29.865 -25.914 -13.565 0.60 76.23  ? 201 A1IQZ A OAK 1 
HETATM 1086 C CAH . A1IQZ B 2 .   ? 31.245 -23.998 -13.243 0.60 74.64  ? 201 A1IQZ A CAH 1 
HETATM 1087 C CAI . A1IQZ B 2 .   ? 30.716 -23.463 -14.580 0.60 66.70  ? 201 A1IQZ A CAI 1 
HETATM 1088 C CAG . A1IQZ B 2 .   ? 32.236 -23.132 -12.325 0.60 77.33  ? 201 A1IQZ A CAG 1 
HETATM 1089 C CAD . A1IQZ B 2 .   ? 32.778 -23.667 -11.152 0.60 74.95  ? 201 A1IQZ A CAD 1 
HETATM 1090 C CAC . A1IQZ B 2 .   ? 33.234 -22.939 -10.005 0.60 65.52  ? 201 A1IQZ A CAC 1 
HETATM 1091 C CAA . A1IQZ B 2 .   ? 33.744 -23.638 -8.917  0.60 72.94  ? 201 A1IQZ A CAA 1 
HETATM 1092 C CAB . A1IQZ B 2 .   ? 33.832 -25.020 -8.986  0.60 74.78  ? 201 A1IQZ A CAB 1 
HETATM 1093 C CAN . A1IQZ B 2 .   ? 34.349 -25.767 -7.929  0.60 80.07  ? 201 A1IQZ A CAN 1 
HETATM 1094 C CAO . A1IQZ B 2 .   ? 34.753 -26.487 -7.123  0.60 81.73  ? 201 A1IQZ A CAO 1 
HETATM 1095 C CAF . A1IQZ B 2 .   ? 33.400 -25.737 -10.132 0.60 78.25  ? 201 A1IQZ A CAF 1 
HETATM 1096 C CAE . A1IQZ B 2 .   ? 32.893 -25.045 -11.208 0.60 79.76  ? 201 A1IQZ A CAE 1 
HETATM 1097 O O   . HOH   C 3 .   ? 22.071 -25.994 -29.467 1.00 59.82  ? 301 HOH   A O   1 
HETATM 1098 O O   . HOH   C 3 .   ? 36.699 -7.588  -17.167 1.00 56.98  ? 302 HOH   A O   1 
HETATM 1099 O O   . HOH   C 3 .   ? 28.922 -30.958 -28.432 1.00 65.97  ? 303 HOH   A O   1 
HETATM 1100 O O   . HOH   C 3 .   ? 25.853 -44.482 -12.257 1.00 72.77  ? 304 HOH   A O   1 
HETATM 1101 O O   . HOH   C 3 .   ? 24.133 -39.749 -11.743 1.00 66.85  ? 305 HOH   A O   1 
HETATM 1102 O O   . HOH   C 3 .   ? 20.798 -17.475 -11.116 1.00 45.49  ? 306 HOH   A O   1 
HETATM 1103 O O   . HOH   C 3 .   ? 39.060 -13.905 -14.500 1.00 64.84  ? 307 HOH   A O   1 
HETATM 1104 O O   . HOH   C 3 .   ? 30.950 -20.274 0.994   1.00 51.30  ? 308 HOH   A O   1 
HETATM 1105 O O   . HOH   C 3 .   ? 22.972 -19.021 -11.865 1.00 46.79  ? 309 HOH   A O   1 
HETATM 1106 O O   . HOH   C 3 .   ? 31.768 -41.120 -12.386 1.00 70.69  ? 310 HOH   A O   1 
HETATM 1107 O O   . HOH   C 3 .   ? 19.676 -30.350 -19.079 1.00 48.16  ? 311 HOH   A O   1 
HETATM 1108 O O   . HOH   C 3 .   ? 31.043 -10.239 -26.758 1.00 73.43  ? 312 HOH   A O   1 
HETATM 1109 O O   . HOH   C 3 .   ? 24.183 -9.432  -22.168 1.00 91.86  ? 313 HOH   A O   1 
HETATM 1110 O O   . HOH   C 3 .   ? 18.051 -14.504 -18.710 1.00 63.73  ? 314 HOH   A O   1 
HETATM 1111 O O   . HOH   C 3 .   ? 19.223 -12.968 -16.313 1.00 54.54  ? 315 HOH   A O   1 
HETATM 1112 O O   . HOH   C 3 .   ? 18.858 -21.529 -10.242 1.00 65.21  ? 316 HOH   A O   1 
HETATM 1113 O O   . HOH   C 3 .   ? 22.946 -20.340 -2.290  1.00 60.61  ? 317 HOH   A O   1 
HETATM 1114 O O   . HOH   C 3 .   ? 15.562 -31.393 -19.685 1.00 54.86  ? 318 HOH   A O   1 
HETATM 1115 O O   . HOH   C 3 .   ? 30.688 -7.242  -13.610 1.00 57.63  ? 319 HOH   A O   1 
HETATM 1116 O O   . HOH   C 3 .   ? 28.188 -30.036 -25.572 1.00 49.95  ? 320 HOH   A O   1 
HETATM 1117 O O   . HOH   C 3 .   ? 24.143 -11.936 -23.488 1.00 71.26  ? 321 HOH   A O   1 
HETATM 1118 O O   . HOH   C 3 .   ? 14.838 -14.248 -21.266 1.00 56.51  ? 322 HOH   A O   1 
HETATM 1119 O O   . HOH   C 3 .   ? 43.257 -23.474 0.620   1.00 49.89  ? 323 HOH   A O   1 
HETATM 1120 O O   . HOH   C 3 .   ? 42.769 -24.763 -17.712 1.00 59.75  ? 324 HOH   A O   1 
HETATM 1121 O O   . HOH   C 3 .   ? 23.523 -36.304 -10.586 1.00 60.00  ? 325 HOH   A O   1 
HETATM 1122 O O   . HOH   C 3 .   ? 34.663 -29.940 -22.381 1.00 68.87  ? 326 HOH   A O   1 
HETATM 1123 O O   . HOH   C 3 .   ? 25.014 -29.159 -23.266 1.00 43.61  ? 327 HOH   A O   1 
HETATM 1124 O O   . HOH   C 3 .   ? 40.076 -19.081 -15.208 1.00 50.07  ? 328 HOH   A O   1 
HETATM 1125 O O   . HOH   C 3 .   ? 17.048 -33.438 -23.437 1.00 63.12  ? 329 HOH   A O   1 
HETATM 1126 O O   . HOH   C 3 .   ? 20.437 -11.710 -26.935 1.00 66.94  ? 330 HOH   A O   1 
HETATM 1127 O O   . HOH   C 3 .   ? 38.182 -21.702 5.354   1.00 47.30  ? 331 HOH   A O   1 
HETATM 1128 O O   . HOH   C 3 .   ? 35.537 -18.528 0.017   1.00 70.00  ? 332 HOH   A O   1 
HETATM 1129 O O   . HOH   C 3 .   ? 33.372 -20.332 -0.179  1.00 58.32  ? 333 HOH   A O   1 
HETATM 1130 O O   . HOH   C 3 .   ? 23.118 -15.144 -23.985 1.00 54.10  ? 334 HOH   A O   1 
HETATM 1131 O O   . HOH   C 3 .   ? 30.430 -29.651 -12.025 1.00 66.66  ? 335 HOH   A O   1 
HETATM 1132 O O   . HOH   C 3 .   ? 23.425 -34.876 -26.891 1.00 65.00  ? 336 HOH   A O   1 
HETATM 1133 O O   . HOH   C 3 .   ? 31.514 -22.074 5.542   1.00 59.44  ? 337 HOH   A O   1 
HETATM 1134 O O   . HOH   C 3 .   ? 30.843 -9.948  -23.082 1.00 54.20  ? 338 HOH   A O   1 
HETATM 1135 O O   . HOH   C 3 .   ? 20.906 -24.586 0.353   1.00 55.52  ? 339 HOH   A O   1 
HETATM 1136 O O   . HOH   C 3 .   ? 30.241 -22.251 3.275   1.00 54.98  ? 340 HOH   A O   1 
HETATM 1137 O O   . HOH   C 3 .   ? 36.808 -36.417 2.375   1.00 60.75  ? 341 HOH   A O   1 
HETATM 1138 O O   . HOH   C 3 .   ? 27.415 -14.852 -30.571 1.00 51.87  ? 342 HOH   A O   1 
HETATM 1139 O O   . HOH   C 3 .   ? 20.427 -35.963 -13.035 1.00 67.81  ? 343 HOH   A O   1 
HETATM 1140 O O   . HOH   C 3 .   ? 13.726 -32.692 -22.660 1.00 59.23  ? 344 HOH   A O   1 
HETATM 1141 O O   . HOH   C 3 .   ? 40.951 -28.887 -18.141 1.00 55.46  ? 345 HOH   A O   1 
HETATM 1142 O O   . HOH   C 3 .   ? 18.813 -11.691 -12.323 1.00 69.75  ? 346 HOH   A O   1 
HETATM 1143 O O   . HOH   C 3 .   ? 35.024 -9.365  -18.761 1.00 54.56  ? 347 HOH   A O   1 
HETATM 1144 O O   . HOH   C 3 .   ? 29.938 -20.519 -33.710 1.00 68.35  ? 348 HOH   A O   1 
HETATM 1145 O O   . HOH   C 3 .   ? 22.436 -35.489 -17.925 1.00 75.53  ? 349 HOH   A O   1 
HETATM 1146 O O   . HOH   C 3 .   ? 44.185 -23.041 -4.992  1.00 46.51  ? 350 HOH   A O   1 
HETATM 1147 O O   . HOH   C 3 .   ? 16.720 -28.823 -15.849 1.00 58.84  ? 351 HOH   A O   1 
HETATM 1148 O O   . HOH   C 3 .   ? 22.764 -18.302 -0.286  1.00 72.24  ? 352 HOH   A O   1 
HETATM 1149 O O   . HOH   C 3 .   ? 43.615 -20.590 -0.355  1.00 55.18  ? 353 HOH   A O   1 
HETATM 1150 O O   . HOH   C 3 .   ? 25.360 -15.831 2.963   1.00 77.02  ? 354 HOH   A O   1 
HETATM 1151 O O   . HOH   C 3 .   ? 36.356 -13.122 -2.377  1.00 73.02  ? 355 HOH   A O   1 
HETATM 1152 O O   . HOH   C 3 .   ? 26.917 -48.325 -11.969 1.00 75.30  ? 356 HOH   A O   1 
HETATM 1153 O O   . HOH   C 3 .   ? 25.369 -32.923 4.695   1.00 65.81  ? 357 HOH   A O   1 
HETATM 1154 O O   . HOH   C 3 .   ? 31.616 -8.534  -31.636 1.00 88.90  ? 358 HOH   A O   1 
HETATM 1155 O O   . HOH   C 3 .   ? 21.319 -28.436 -30.595 1.00 60.82  ? 359 HOH   A O   1 
HETATM 1156 O O   . HOH   C 3 .   ? 36.170 -26.664 -29.586 1.00 73.67  ? 360 HOH   A O   1 
HETATM 1157 O O   . HOH   C 3 .   ? 40.783 -16.607 -15.483 1.00 54.79  ? 361 HOH   A O   1 
HETATM 1158 O O   . HOH   C 3 .   ? 31.616 -28.978 -28.065 1.00 70.80  ? 362 HOH   A O   1 
HETATM 1159 O O   . HOH   C 3 .   ? 34.676 -15.149 -1.920  1.00 79.09  ? 363 HOH   A O   1 
HETATM 1160 O O   . HOH   C 3 .   ? 44.351 -22.676 2.819   1.00 50.00  ? 364 HOH   A O   1 
HETATM 1161 O O   . HOH   C 3 .   ? 19.224 -20.640 -6.555  1.00 71.48  ? 365 HOH   A O   1 
HETATM 1162 O O   . HOH   C 3 .   ? 31.343 -43.156 -21.371 1.00 71.69  ? 366 HOH   A O   1 
HETATM 1163 O O   . HOH   C 3 .   ? 35.169 -40.073 -0.000  0.50 85.53  ? 367 HOH   A O   1 
HETATM 1164 O O   . HOH   C 3 .   ? 24.695 -2.858  -5.880  1.00 75.91  ? 368 HOH   A O   1 
HETATM 1165 O O   . HOH   C 3 .   ? 35.087 -6.116  -6.834  1.00 69.92  ? 369 HOH   A O   1 
HETATM 1166 O O   . HOH   C 3 .   ? 34.388 -34.270 -27.934 1.00 69.50  ? 370 HOH   A O   1 
# 
