data_9AVE
# 
_entry.id   9AVE 
# 
_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   9AVE         pdb_00009ave 10.2210/pdb9ave/pdb 
WWPDB D_1000280734 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-05-21 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9AVE 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-01 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              soichi.wakatsuki@stanford.edu 
_pdbx_contact_author.name_first         Soichi 
_pdbx_contact_author.name_last          Wakatsuki 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5896-7968 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Mathews, I.I.' 1 0000-0001-6254-3519 
'Pokhrel, S.'   2 0000-0003-2258-8768 
'Wakatsuki, S.' 3 0000-0001-5896-7968 
# 
_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                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Nat Commun' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2041-1723 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            16 
_citation.language                  ? 
_citation.page_first                4187 
_citation.page_last                 4187 
_citation.title                     
'A hidden cysteine in Fis1 targeted to prevent excessive mitochondrial fission and dysfunction under oxidative stress.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/s41467-025-59434-6 
_citation.pdbx_database_id_PubMed   40328741 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Pokhrel, S.'      1 0000-0003-2258-8768 
primary 'Heo, G.'          2 0000-0001-5324-4074 
primary 'Mathews, I.'      3 0000-0001-6254-3519 
primary 'Yokoi, S.'        4 0000-0003-2684-3420 
primary 'Matsui, T.'       5 0000-0001-7101-5259 
primary 'Mitsutake, A.'    6 0000-0002-4194-7255 
primary 'Wakatsuki, S.'    7 0000-0001-5896-7968 
primary 'Mochly-Rosen, D.' 8 0000-0002-6691-8733 
# 
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 'Mitochondrial fission 1 protein' 15107.357 1  ? T34E ? ? 
2 water   nat water                             18.015    19 ? ?    ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'FIS1 homolog,hFis1,Tetratricopeptide repeat protein 11,TPR repeat protein 11' 
# 
_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       
;MEAVLNELVSVEDLLKFEKKFQSEKAAGSVSKSEQFEYAWCLVRSKYNDDIRKGIVLLEELLPKGSKEEQRDYVFYLAVG
NYRLKEYEKALKYVRGLLQTEPQNNQAKELERLIDKAMKKDGLLEVLFQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MEAVLNELVSVEDLLKFEKKFQSEKAAGSVSKSEQFEYAWCLVRSKYNDDIRKGIVLLEELLPKGSKEEQRDYVFYLAVG
NYRLKEYEKALKYVRGLLQTEPQNNQAKELERLIDKAMKKDGLLEVLFQ
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   GLU n 
1 3   ALA n 
1 4   VAL n 
1 5   LEU n 
1 6   ASN n 
1 7   GLU n 
1 8   LEU n 
1 9   VAL n 
1 10  SER n 
1 11  VAL n 
1 12  GLU n 
1 13  ASP n 
1 14  LEU n 
1 15  LEU n 
1 16  LYS n 
1 17  PHE n 
1 18  GLU n 
1 19  LYS n 
1 20  LYS n 
1 21  PHE n 
1 22  GLN n 
1 23  SER n 
1 24  GLU n 
1 25  LYS n 
1 26  ALA n 
1 27  ALA n 
1 28  GLY n 
1 29  SER n 
1 30  VAL n 
1 31  SER n 
1 32  LYS n 
1 33  SER n 
1 34  GLU n 
1 35  GLN n 
1 36  PHE n 
1 37  GLU n 
1 38  TYR n 
1 39  ALA n 
1 40  TRP n 
1 41  CYS n 
1 42  LEU n 
1 43  VAL n 
1 44  ARG n 
1 45  SER n 
1 46  LYS n 
1 47  TYR n 
1 48  ASN n 
1 49  ASP n 
1 50  ASP n 
1 51  ILE n 
1 52  ARG n 
1 53  LYS n 
1 54  GLY n 
1 55  ILE n 
1 56  VAL n 
1 57  LEU n 
1 58  LEU n 
1 59  GLU n 
1 60  GLU n 
1 61  LEU n 
1 62  LEU n 
1 63  PRO n 
1 64  LYS n 
1 65  GLY n 
1 66  SER n 
1 67  LYS n 
1 68  GLU n 
1 69  GLU n 
1 70  GLN n 
1 71  ARG n 
1 72  ASP n 
1 73  TYR n 
1 74  VAL n 
1 75  PHE n 
1 76  TYR n 
1 77  LEU n 
1 78  ALA n 
1 79  VAL n 
1 80  GLY n 
1 81  ASN n 
1 82  TYR n 
1 83  ARG n 
1 84  LEU n 
1 85  LYS n 
1 86  GLU n 
1 87  TYR n 
1 88  GLU n 
1 89  LYS n 
1 90  ALA n 
1 91  LEU n 
1 92  LYS n 
1 93  TYR n 
1 94  VAL n 
1 95  ARG n 
1 96  GLY n 
1 97  LEU n 
1 98  LEU n 
1 99  GLN n 
1 100 THR n 
1 101 GLU n 
1 102 PRO n 
1 103 GLN n 
1 104 ASN n 
1 105 ASN n 
1 106 GLN n 
1 107 ALA n 
1 108 LYS n 
1 109 GLU n 
1 110 LEU n 
1 111 GLU n 
1 112 ARG n 
1 113 LEU n 
1 114 ILE n 
1 115 ASP n 
1 116 LYS n 
1 117 ALA n 
1 118 MET n 
1 119 LYS n 
1 120 LYS n 
1 121 ASP n 
1 122 GLY n 
1 123 LEU n 
1 124 LEU n 
1 125 GLU n 
1 126 VAL n 
1 127 LEU n 
1 128 PHE n 
1 129 GLN 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                   129 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'FIS1, TTC11, CGI-135' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 'BL21 (DE3)' 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          pET-28a 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
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  
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   MET 1   1   ?   ?   ?   A . n 
A 1 2   GLU 2   2   ?   ?   ?   A . n 
A 1 3   ALA 3   3   ?   ?   ?   A . n 
A 1 4   VAL 4   4   ?   ?   ?   A . n 
A 1 5   LEU 5   5   ?   ?   ?   A . n 
A 1 6   ASN 6   6   ?   ?   ?   A . n 
A 1 7   GLU 7   7   ?   ?   ?   A . n 
A 1 8   LEU 8   8   ?   ?   ?   A . n 
A 1 9   VAL 9   9   ?   ?   ?   A . n 
A 1 10  SER 10  10  ?   ?   ?   A . n 
A 1 11  VAL 11  11  ?   ?   ?   A . n 
A 1 12  GLU 12  12  ?   ?   ?   A . n 
A 1 13  ASP 13  13  ?   ?   ?   A . n 
A 1 14  LEU 14  14  ?   ?   ?   A . n 
A 1 15  LEU 15  15  ?   ?   ?   A . n 
A 1 16  LYS 16  16  ?   ?   ?   A . n 
A 1 17  PHE 17  17  ?   ?   ?   A . n 
A 1 18  GLU 18  18  ?   ?   ?   A . n 
A 1 19  LYS 19  19  ?   ?   ?   A . n 
A 1 20  LYS 20  20  ?   ?   ?   A . n 
A 1 21  PHE 21  21  ?   ?   ?   A . n 
A 1 22  GLN 22  22  ?   ?   ?   A . n 
A 1 23  SER 23  23  ?   ?   ?   A . n 
A 1 24  GLU 24  24  ?   ?   ?   A . n 
A 1 25  LYS 25  25  ?   ?   ?   A . n 
A 1 26  ALA 26  26  ?   ?   ?   A . n 
A 1 27  ALA 27  27  ?   ?   ?   A . n 
A 1 28  GLY 28  28  ?   ?   ?   A . n 
A 1 29  SER 29  29  ?   ?   ?   A . n 
A 1 30  VAL 30  30  ?   ?   ?   A . n 
A 1 31  SER 31  31  ?   ?   ?   A . n 
A 1 32  LYS 32  32  32  LYS LYS A . n 
A 1 33  SER 33  33  33  SER SER A . n 
A 1 34  GLU 34  34  34  GLU GLU A . n 
A 1 35  GLN 35  35  35  GLN GLN A . n 
A 1 36  PHE 36  36  36  PHE PHE A . n 
A 1 37  GLU 37  37  37  GLU GLU A . n 
A 1 38  TYR 38  38  38  TYR TYR A . n 
A 1 39  ALA 39  39  39  ALA ALA A . n 
A 1 40  TRP 40  40  40  TRP TRP A . n 
A 1 41  CYS 41  41  41  CYS CYS A . n 
A 1 42  LEU 42  42  42  LEU LEU A . n 
A 1 43  VAL 43  43  43  VAL VAL A . n 
A 1 44  ARG 44  44  44  ARG ARG A . n 
A 1 45  SER 45  45  45  SER SER A . n 
A 1 46  LYS 46  46  46  LYS LYS A . n 
A 1 47  TYR 47  47  47  TYR TYR A . n 
A 1 48  ASN 48  48  48  ASN ASN A . n 
A 1 49  ASP 49  49  49  ASP ASP A . n 
A 1 50  ASP 50  50  50  ASP ASP A . n 
A 1 51  ILE 51  51  51  ILE ILE A . n 
A 1 52  ARG 52  52  52  ARG ARG A . n 
A 1 53  LYS 53  53  53  LYS LYS A . n 
A 1 54  GLY 54  54  54  GLY GLY A . n 
A 1 55  ILE 55  55  55  ILE ILE A . n 
A 1 56  VAL 56  56  56  VAL VAL A . n 
A 1 57  LEU 57  57  57  LEU LEU A . n 
A 1 58  LEU 58  58  58  LEU LEU A . n 
A 1 59  GLU 59  59  59  GLU GLU A . n 
A 1 60  GLU 60  60  60  GLU GLU A . n 
A 1 61  LEU 61  61  61  LEU LEU A . n 
A 1 62  LEU 62  62  62  LEU LEU A . n 
A 1 63  PRO 63  63  63  PRO PRO A . n 
A 1 64  LYS 64  64  64  LYS LYS A . n 
A 1 65  GLY 65  65  65  GLY GLY A . n 
A 1 66  SER 66  66  66  SER SER A . n 
A 1 67  LYS 67  67  67  LYS LYS A . n 
A 1 68  GLU 68  68  68  GLU GLU A . n 
A 1 69  GLU 69  69  69  GLU GLU A . n 
A 1 70  GLN 70  70  70  GLN GLN A . n 
A 1 71  ARG 71  71  71  ARG ARG A . n 
A 1 72  ASP 72  72  72  ASP ASP A . n 
A 1 73  TYR 73  73  73  TYR TYR A . n 
A 1 74  VAL 74  74  74  VAL VAL A . n 
A 1 75  PHE 75  75  75  PHE PHE A . n 
A 1 76  TYR 76  76  76  TYR TYR A . n 
A 1 77  LEU 77  77  77  LEU LEU A . n 
A 1 78  ALA 78  78  78  ALA ALA A . n 
A 1 79  VAL 79  79  79  VAL VAL A . n 
A 1 80  GLY 80  80  80  GLY GLY A . n 
A 1 81  ASN 81  81  81  ASN ASN A . n 
A 1 82  TYR 82  82  82  TYR TYR A . n 
A 1 83  ARG 83  83  83  ARG ARG A . n 
A 1 84  LEU 84  84  84  LEU LEU A . n 
A 1 85  LYS 85  85  85  LYS LYS A . n 
A 1 86  GLU 86  86  86  GLU GLU A . n 
A 1 87  TYR 87  87  87  TYR TYR A . n 
A 1 88  GLU 88  88  88  GLU GLU A . n 
A 1 89  LYS 89  89  89  LYS LYS A . n 
A 1 90  ALA 90  90  90  ALA ALA A . n 
A 1 91  LEU 91  91  91  LEU LEU A . n 
A 1 92  LYS 92  92  92  LYS LYS A . n 
A 1 93  TYR 93  93  93  TYR TYR A . n 
A 1 94  VAL 94  94  94  VAL VAL A . n 
A 1 95  ARG 95  95  95  ARG ARG A . n 
A 1 96  GLY 96  96  96  GLY GLY A . n 
A 1 97  LEU 97  97  97  LEU LEU A . n 
A 1 98  LEU 98  98  98  LEU LEU A . n 
A 1 99  GLN 99  99  99  GLN GLN A . n 
A 1 100 THR 100 100 100 THR THR A . n 
A 1 101 GLU 101 101 101 GLU GLU A . n 
A 1 102 PRO 102 102 102 PRO PRO A . n 
A 1 103 GLN 103 103 103 GLN GLN A . n 
A 1 104 ASN 104 104 104 ASN ASN A . n 
A 1 105 ASN 105 105 105 ASN ASN A . n 
A 1 106 GLN 106 106 106 GLN GLN A . n 
A 1 107 ALA 107 107 107 ALA ALA A . n 
A 1 108 LYS 108 108 108 LYS LYS A . n 
A 1 109 GLU 109 109 109 GLU GLU A . n 
A 1 110 LEU 110 110 110 LEU LEU A . n 
A 1 111 GLU 111 111 111 GLU GLU A . n 
A 1 112 ARG 112 112 112 ARG ARG A . n 
A 1 113 LEU 113 113 113 LEU LEU A . n 
A 1 114 ILE 114 114 114 ILE ILE A . n 
A 1 115 ASP 115 115 115 ASP ASP A . n 
A 1 116 LYS 116 116 116 LYS LYS A . n 
A 1 117 ALA 117 117 117 ALA ALA A . n 
A 1 118 MET 118 118 118 MET MET A . n 
A 1 119 LYS 119 119 119 LYS LYS A . n 
A 1 120 LYS 120 120 120 LYS LYS A . n 
A 1 121 ASP 121 121 121 ASP ASP A . n 
A 1 122 GLY 122 122 122 GLY GLY A . n 
A 1 123 LEU 123 123 123 LEU LEU A . n 
A 1 124 LEU 124 124 124 LEU LEU A . n 
A 1 125 GLU 125 125 125 GLU GLU A . n 
A 1 126 VAL 126 126 126 VAL VAL A . n 
A 1 127 LEU 127 127 127 LEU LEU A . n 
A 1 128 PHE 128 128 128 PHE PHE A . n 
A 1 129 GLN 129 129 129 GLN GLN A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 HOH 1  201 18 HOH HOH A . 
B 2 HOH 2  202 3  HOH HOH A . 
B 2 HOH 3  203 7  HOH HOH A . 
B 2 HOH 4  204 13 HOH HOH A . 
B 2 HOH 5  205 16 HOH HOH A . 
B 2 HOH 6  206 10 HOH HOH A . 
B 2 HOH 7  207 1  HOH HOH A . 
B 2 HOH 8  208 2  HOH HOH A . 
B 2 HOH 9  209 11 HOH HOH A . 
B 2 HOH 10 210 19 HOH HOH A . 
B 2 HOH 11 211 6  HOH HOH A . 
B 2 HOH 12 212 8  HOH HOH A . 
B 2 HOH 13 213 9  HOH HOH A . 
B 2 HOH 14 214 15 HOH HOH A . 
B 2 HOH 15 215 17 HOH HOH A . 
B 2 HOH 16 216 4  HOH HOH A . 
B 2 HOH 17 217 12 HOH HOH A . 
B 2 HOH 18 218 14 HOH HOH A . 
B 2 HOH 19 219 5  HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? '(1.20.1_4487: ???)' 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? .                    2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .                    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                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9AVE 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     43.250 
_cell.length_a_esd                 ? 
_cell.length_b                     43.250 
_cell.length_b_esd                 ? 
_cell.length_c                     119.810 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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                         9AVE 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                92 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 41 21 2' 
_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                   9AVE 
_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             1.85 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          33.67 
_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              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2M Ammonium Acetate, 0.1M HEPES (pH 7.5), 25% PEG 3350' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            292 
# 
_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                      'Rh coated collimating mirrors, K-B focusing mirrors' 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-05-10 
_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   0.97946 
_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                        'SSRL BEAMLINE BL12-2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97946 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL12-2 
_diffrn_source.pdbx_synchrotron_site       SSRL 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9AVE 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.37 
_reflns.d_resolution_low                               35.1 
_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                                     5063 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                10.6 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          18.74 
_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                                0.063 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.0 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.06 
_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                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_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 
_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 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_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 
2.37  2.43 ? ? ? ? ? ? 357 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2.136                ? ? 1  1 0.654              ? ? ? ? 2.036 ? ? ? ? ? 
? ? ? ? 
2.43  2.5  ? ? ? ? ? ? 343 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 1.864                ? ? 2  1 0.7090000000000001 ? ? ? ? 1.765 ? ? ? ? ? 
? ? ? ? 
2.50  2.57 ? ? ? ? ? ? 351 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 1.2009999999999998   ? ? 3  1 0.83               ? ? ? ? 1.146 ? ? ? ? ? 
? ? ? ? 
2.57  2.65 ? ? ? ? ? ? 332 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.958                ? ? 4  1 0.9159999999999999 ? ? ? ? 0.917 ? ? ? ? ? 
? ? ? ? 
2.65  2.74 ? ? ? ? ? ? 333 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.83                 ? ? 5  1 0.9359999999999999 ? ? ? ? 
0.7929999999999999   ? ? ? ? ? ? ? ? ? 
2.74  2.83 ? ? ? ? ? ? 313 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.544                ? ? 6  1 0.9670000000000001 ? ? ? ? 0.519 ? ? ? ? ? 
? ? ? ? 
2.83  2.94 ? ? ? ? ? ? 295 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.342                ? ? 7  1 0.992              ? ? ? ? 0.327 ? ? ? ? ? 
? ? ? ? 
2.94  3.06 ? ? ? ? ? ? 304 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.247                ? ? 8  1 0.992              ? ? ? ? 0.235 ? ? ? ? ? 
? ? ? ? 
3.06  3.2  ? ? ? ? ? ? 275 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.21100000000000002  ? ? 9  1 0.993              ? ? ? ? 0.201 ? ? ? ? ? 
? ? ? ? 
3.20  3.35 ? ? ? ? ? ? 287 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.142                ? ? 10 1 0.996              ? ? ? ? 0.135 ? ? ? ? ? 
? ? ? ? 
3.35  3.53 ? ? ? ? ? ? 251 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.09699999999999999  ? ? 11 1 0.998              ? ? ? ? 0.092 ? ? ? ? ? 
? ? ? ? 
3.53  3.75 ? ? ? ? ? ? 250 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.07200000000000001  ? ? 12 1 0.9990000000000001 ? ? ? ? 0.069 ? ? ? ? ? 
? ? ? ? 
3.75  4.01 ? ? ? ? ? ? 237 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.061                ? ? 13 1 0.9990000000000001 ? ? ? ? 
0.057999999999999996 ? ? ? ? ? ? ? ? ? 
4.01  4.33 ? ? ? ? ? ? 228 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.051                ? ? 14 1 0.9990000000000001 ? ? ? ? 0.048 ? ? ? ? ? 
? ? ? ? 
4.33  4.74 ? ? ? ? ? ? 198 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.042                ? ? 15 1 0.9990000000000001 ? ? ? ? 0.04 ? ? ? ? ? ? 
? ? ? 
4.74  5.3  ? ? ? ? ? ? 189 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.042                ? ? 16 1 0.9990000000000001 ? ? ? ? 0.04 ? ? ? ? ? ? 
? ? ? 
5.30  6.12 ? ? ? ? ? ? 180 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.038                ? ? 17 1 1.0                ? ? ? ? 
0.036000000000000004 ? ? ? ? ? ? ? ? ? 
6.12  7.5  ? ? ? ? ? ? 145 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.035                ? ? 18 1 0.9990000000000001 ? ? ? ? 0.033 ? ? ? ? ? 
? ? ? ? 
7.50  10.6 ? ? ? ? ? ? 120 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.026000000000000002 ? ? 19 1 1.0                ? ? ? ? 0.025 ? ? ? ? ? 
? ? ? ? 
10.60 35.1 ? ? ? ? ? ? 75  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.032                ? ? 20 1 1.0                ? ? ? ? 0.03 ? ? ? ? ? ? 
? ? ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9AVE 
_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                            2.37 
_refine.ls_d_res_low                             35.07 
_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                     5059 
_refine.ls_number_reflns_R_free                  304 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.90 
_refine.ls_percent_reflns_R_free                 6.01 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2422 
_refine.ls_R_factor_R_free                       0.2907 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2389 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_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               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 39.11 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.39 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        823 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             19 
_refine_hist.number_atoms_total               842 
_refine_hist.d_res_high                       2.37 
_refine_hist.d_res_low                        35.07 
# 
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' ? 0.009 ? 836  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.085 ? 1119 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 5.562 ? 110  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.054 ? 118  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.008 ? 143  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.37 2.99  . . 146 2292 100.00 . . . . 0.3529 . . . . . . . . . . . 0.4282 
'X-RAY DIFFRACTION' 2.99 35.07 . . 158 2463 100.00 . . . . 0.2209 . . . . . . . . . . . 0.2690 
# 
_struct.entry_id                     9AVE 
_struct.title                        'Mitochondrial fission 1 protein Fis1 T34E mutation' 
_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        9AVE 
_struct_keywords.text            'FIS1, mitochondrial fission, Drug design, UNKNOWN FUNCTION' 
_struct_keywords.pdbx_keywords   'UNKNOWN FUNCTION' 
# 
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 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    FIS1_HUMAN 
_struct_ref.pdbx_db_accession          Q9Y3D6 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MEAVLNELVSVEDLLKFEKKFQSEKAAGSVSKSTQFEYAWCLVRSKYNDDIRKGIVLLEELLPKGSKEEQRDYVFYLAVG
NYRLKEYEKALKYVRGLLQTEPQNNQAKELERLIDKAMKKDGL
;
_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              9AVE 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 123 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q9Y3D6 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  123 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       123 
# 
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 9AVE GLU A 34  ? UNP Q9Y3D6 THR 34 'engineered mutation' 34  1 
1 9AVE LEU A 124 ? UNP Q9Y3D6 ?   ?  'expression tag'      124 2 
1 9AVE GLU A 125 ? UNP Q9Y3D6 ?   ?  'expression tag'      125 3 
1 9AVE VAL A 126 ? UNP Q9Y3D6 ?   ?  'expression tag'      126 4 
1 9AVE LEU A 127 ? UNP Q9Y3D6 ?   ?  'expression tag'      127 5 
1 9AVE PHE A 128 ? UNP Q9Y3D6 ?   ?  'expression tag'      128 6 
1 9AVE GLN A 129 ? UNP Q9Y3D6 ?   ?  'expression tag'      129 7 
# 
_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   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
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)' 990   ? 
1 MORE         -6    ? 
1 'SSA (A^2)'  12670 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z  1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000  0.0000000000 
2 'crystal symmetry operation' 7_555 y,x,-z 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 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 GLU A 34  ? ARG A 44  ? GLU A 34  ARG A 44  1 ? 11 
HELX_P HELX_P2 AA2 TYR A 47  ? GLY A 65  ? TYR A 47  GLY A 65  1 ? 19 
HELX_P HELX_P3 AA3 SER A 66  ? LEU A 84  ? SER A 66  LEU A 84  1 ? 19 
HELX_P HELX_P4 AA4 GLU A 86  ? GLU A 101 ? GLU A 86  GLU A 101 1 ? 16 
HELX_P HELX_P5 AA5 ASN A 104 ? VAL A 126 ? ASN A 104 VAL A 126 1 ? 23 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_conn.id                            disulf1 
_struct_conn.conn_type_id                  disulf 
_struct_conn.pdbx_leaving_atom_flag        ? 
_struct_conn.pdbx_PDB_id                   ? 
_struct_conn.ptnr1_label_asym_id           A 
_struct_conn.ptnr1_label_comp_id           CYS 
_struct_conn.ptnr1_label_seq_id            41 
_struct_conn.ptnr1_label_atom_id           SG 
_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           A 
_struct_conn.ptnr2_label_comp_id           CYS 
_struct_conn.ptnr2_label_seq_id            41 
_struct_conn.ptnr2_label_atom_id           SG 
_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            CYS 
_struct_conn.ptnr1_auth_seq_id             41 
_struct_conn.ptnr2_auth_asym_id            A 
_struct_conn.ptnr2_auth_comp_id            CYS 
_struct_conn.ptnr2_auth_seq_id             41 
_struct_conn.ptnr2_symmetry                7_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               2.104 
_struct_conn.pdbx_value_order              ? 
_struct_conn.pdbx_role                     ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      CYS 
_pdbx_modification_feature.label_asym_id                      A 
_pdbx_modification_feature.label_seq_id                       41 
_pdbx_modification_feature.label_alt_id                       ? 
_pdbx_modification_feature.modified_residue_label_comp_id     CYS 
_pdbx_modification_feature.modified_residue_label_asym_id     A 
_pdbx_modification_feature.modified_residue_label_seq_id      41 
_pdbx_modification_feature.modified_residue_label_alt_id      ? 
_pdbx_modification_feature.auth_comp_id                       CYS 
_pdbx_modification_feature.auth_asym_id                       A 
_pdbx_modification_feature.auth_seq_id                        41 
_pdbx_modification_feature.PDB_ins_code                       ? 
_pdbx_modification_feature.symmetry                           1_555 
_pdbx_modification_feature.modified_residue_auth_comp_id      CYS 
_pdbx_modification_feature.modified_residue_auth_asym_id      A 
_pdbx_modification_feature.modified_residue_auth_seq_id       41 
_pdbx_modification_feature.modified_residue_PDB_ins_code      ? 
_pdbx_modification_feature.modified_residue_symmetry          7_555 
_pdbx_modification_feature.comp_id_linking_atom               SG 
_pdbx_modification_feature.modified_residue_id_linking_atom   SG 
_pdbx_modification_feature.modified_residue_id                . 
_pdbx_modification_feature.ref_pcm_id                         . 
_pdbx_modification_feature.ref_comp_id                        . 
_pdbx_modification_feature.type                               None 
_pdbx_modification_feature.category                           'Disulfide bridge' 
# 
_pdbx_entry_details.entry_id                   9AVE 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_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 LYS A 85  ? ? 54.74  11.68  
2 1 ASN A 104 ? ? -57.09 107.89 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 213 ? B HOH . 
2 1 A HOH 218 ? B HOH . 
# 
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 MET 1  ? A MET 1  
2  1 Y 1 A GLU 2  ? A GLU 2  
3  1 Y 1 A ALA 3  ? A ALA 3  
4  1 Y 1 A VAL 4  ? A VAL 4  
5  1 Y 1 A LEU 5  ? A LEU 5  
6  1 Y 1 A ASN 6  ? A ASN 6  
7  1 Y 1 A GLU 7  ? A GLU 7  
8  1 Y 1 A LEU 8  ? A LEU 8  
9  1 Y 1 A VAL 9  ? A VAL 9  
10 1 Y 1 A SER 10 ? A SER 10 
11 1 Y 1 A VAL 11 ? A VAL 11 
12 1 Y 1 A GLU 12 ? A GLU 12 
13 1 Y 1 A ASP 13 ? A ASP 13 
14 1 Y 1 A LEU 14 ? A LEU 14 
15 1 Y 1 A LEU 15 ? A LEU 15 
16 1 Y 1 A LYS 16 ? A LYS 16 
17 1 Y 1 A PHE 17 ? A PHE 17 
18 1 Y 1 A GLU 18 ? A GLU 18 
19 1 Y 1 A LYS 19 ? A LYS 19 
20 1 Y 1 A LYS 20 ? A LYS 20 
21 1 Y 1 A PHE 21 ? A PHE 21 
22 1 Y 1 A GLN 22 ? A GLN 22 
23 1 Y 1 A SER 23 ? A SER 23 
24 1 Y 1 A GLU 24 ? A GLU 24 
25 1 Y 1 A LYS 25 ? A LYS 25 
26 1 Y 1 A ALA 26 ? A ALA 26 
27 1 Y 1 A ALA 27 ? A ALA 27 
28 1 Y 1 A GLY 28 ? A GLY 28 
29 1 Y 1 A SER 29 ? A SER 29 
30 1 Y 1 A VAL 30 ? A VAL 30 
31 1 Y 1 A SER 31 ? A SER 31 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HOH O    O N N 137 
HOH H1   H N N 138 
HOH H2   H N N 139 
ILE N    N N N 140 
ILE CA   C N S 141 
ILE C    C N N 142 
ILE O    O N N 143 
ILE CB   C N S 144 
ILE CG1  C N N 145 
ILE CG2  C N N 146 
ILE CD1  C N N 147 
ILE OXT  O N N 148 
ILE H    H N N 149 
ILE H2   H N N 150 
ILE HA   H N N 151 
ILE HB   H N N 152 
ILE HG12 H N N 153 
ILE HG13 H N N 154 
ILE HG21 H N N 155 
ILE HG22 H N N 156 
ILE HG23 H N N 157 
ILE HD11 H N N 158 
ILE HD12 H N N 159 
ILE HD13 H N N 160 
ILE HXT  H N N 161 
LEU N    N N N 162 
LEU CA   C N S 163 
LEU C    C N N 164 
LEU O    O N N 165 
LEU CB   C N N 166 
LEU CG   C N N 167 
LEU CD1  C N N 168 
LEU CD2  C N N 169 
LEU OXT  O N N 170 
LEU H    H N N 171 
LEU H2   H N N 172 
LEU HA   H N N 173 
LEU HB2  H N N 174 
LEU HB3  H N N 175 
LEU HG   H N N 176 
LEU HD11 H N N 177 
LEU HD12 H N N 178 
LEU HD13 H N N 179 
LEU HD21 H N N 180 
LEU HD22 H N N 181 
LEU HD23 H N N 182 
LEU HXT  H N N 183 
LYS N    N N N 184 
LYS CA   C N S 185 
LYS C    C N N 186 
LYS O    O N N 187 
LYS CB   C N N 188 
LYS CG   C N N 189 
LYS CD   C N N 190 
LYS CE   C N N 191 
LYS NZ   N N N 192 
LYS OXT  O N N 193 
LYS H    H N N 194 
LYS H2   H N N 195 
LYS HA   H N N 196 
LYS HB2  H N N 197 
LYS HB3  H N N 198 
LYS HG2  H N N 199 
LYS HG3  H N N 200 
LYS HD2  H N N 201 
LYS HD3  H N N 202 
LYS HE2  H N N 203 
LYS HE3  H N N 204 
LYS HZ1  H N N 205 
LYS HZ2  H N N 206 
LYS HZ3  H N N 207 
LYS HXT  H N N 208 
MET N    N N N 209 
MET CA   C N S 210 
MET C    C N N 211 
MET O    O N N 212 
MET CB   C N N 213 
MET CG   C N N 214 
MET SD   S N N 215 
MET CE   C N N 216 
MET OXT  O N N 217 
MET H    H N N 218 
MET H2   H N N 219 
MET HA   H N N 220 
MET HB2  H N N 221 
MET HB3  H N N 222 
MET HG2  H N N 223 
MET HG3  H N N 224 
MET HE1  H N N 225 
MET HE2  H N N 226 
MET HE3  H N N 227 
MET HXT  H N N 228 
PHE N    N N N 229 
PHE CA   C N S 230 
PHE C    C N N 231 
PHE O    O N N 232 
PHE CB   C N N 233 
PHE CG   C Y N 234 
PHE CD1  C Y N 235 
PHE CD2  C Y N 236 
PHE CE1  C Y N 237 
PHE CE2  C Y N 238 
PHE CZ   C Y N 239 
PHE OXT  O N N 240 
PHE H    H N N 241 
PHE H2   H N N 242 
PHE HA   H N N 243 
PHE HB2  H N N 244 
PHE HB3  H N N 245 
PHE HD1  H N N 246 
PHE HD2  H N N 247 
PHE HE1  H N N 248 
PHE HE2  H N N 249 
PHE HZ   H N N 250 
PHE HXT  H N N 251 
PRO N    N N N 252 
PRO CA   C N S 253 
PRO C    C N N 254 
PRO O    O N N 255 
PRO CB   C N N 256 
PRO CG   C N N 257 
PRO CD   C N N 258 
PRO OXT  O N N 259 
PRO H    H N N 260 
PRO HA   H N N 261 
PRO HB2  H N N 262 
PRO HB3  H N N 263 
PRO HG2  H N N 264 
PRO HG3  H N N 265 
PRO HD2  H N N 266 
PRO HD3  H N N 267 
PRO HXT  H N N 268 
SER N    N N N 269 
SER CA   C N S 270 
SER C    C N N 271 
SER O    O N N 272 
SER CB   C N N 273 
SER OG   O N N 274 
SER OXT  O N N 275 
SER H    H N N 276 
SER H2   H N N 277 
SER HA   H N N 278 
SER HB2  H N N 279 
SER HB3  H N N 280 
SER HG   H N N 281 
SER HXT  H N N 282 
THR N    N N N 283 
THR CA   C N S 284 
THR C    C N N 285 
THR O    O N N 286 
THR CB   C N R 287 
THR OG1  O N N 288 
THR CG2  C N N 289 
THR OXT  O N N 290 
THR H    H N N 291 
THR H2   H N N 292 
THR HA   H N N 293 
THR HB   H N N 294 
THR HG1  H N N 295 
THR HG21 H N N 296 
THR HG22 H N N 297 
THR HG23 H N N 298 
THR HXT  H N N 299 
TRP N    N N N 300 
TRP CA   C N S 301 
TRP C    C N N 302 
TRP O    O N N 303 
TRP CB   C N N 304 
TRP CG   C Y N 305 
TRP CD1  C Y N 306 
TRP CD2  C Y N 307 
TRP NE1  N Y N 308 
TRP CE2  C Y N 309 
TRP CE3  C Y N 310 
TRP CZ2  C Y N 311 
TRP CZ3  C Y N 312 
TRP CH2  C Y N 313 
TRP OXT  O N N 314 
TRP H    H N N 315 
TRP H2   H N N 316 
TRP HA   H N N 317 
TRP HB2  H N N 318 
TRP HB3  H N N 319 
TRP HD1  H N N 320 
TRP HE1  H N N 321 
TRP HE3  H N N 322 
TRP HZ2  H N N 323 
TRP HZ3  H N N 324 
TRP HH2  H N N 325 
TRP HXT  H N N 326 
TYR N    N N N 327 
TYR CA   C N S 328 
TYR C    C N N 329 
TYR O    O N N 330 
TYR CB   C N N 331 
TYR CG   C Y N 332 
TYR CD1  C Y N 333 
TYR CD2  C Y N 334 
TYR CE1  C Y N 335 
TYR CE2  C Y N 336 
TYR CZ   C Y N 337 
TYR OH   O N N 338 
TYR OXT  O N N 339 
TYR H    H N N 340 
TYR H2   H N N 341 
TYR HA   H N N 342 
TYR HB2  H N N 343 
TYR HB3  H N N 344 
TYR HD1  H N N 345 
TYR HD2  H N N 346 
TYR HE1  H N N 347 
TYR HE2  H N N 348 
TYR HH   H N N 349 
TYR HXT  H N N 350 
VAL N    N N N 351 
VAL CA   C N S 352 
VAL C    C N N 353 
VAL O    O N N 354 
VAL CB   C N N 355 
VAL CG1  C N N 356 
VAL CG2  C N N 357 
VAL OXT  O N N 358 
VAL H    H N N 359 
VAL H2   H N N 360 
VAL HA   H N N 361 
VAL HB   H N N 362 
VAL HG11 H N N 363 
VAL HG12 H N N 364 
VAL HG13 H N N 365 
VAL HG21 H N N 366 
VAL HG22 H N N 367 
VAL HG23 H N N 368 
VAL HXT  H N N 369 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HOH O   H1   sing N N 129 
HOH O   H2   sing N N 130 
ILE N   CA   sing N N 131 
ILE N   H    sing N N 132 
ILE N   H2   sing N N 133 
ILE CA  C    sing N N 134 
ILE CA  CB   sing N N 135 
ILE CA  HA   sing N N 136 
ILE C   O    doub N N 137 
ILE C   OXT  sing N N 138 
ILE CB  CG1  sing N N 139 
ILE CB  CG2  sing N N 140 
ILE CB  HB   sing N N 141 
ILE CG1 CD1  sing N N 142 
ILE CG1 HG12 sing N N 143 
ILE CG1 HG13 sing N N 144 
ILE CG2 HG21 sing N N 145 
ILE CG2 HG22 sing N N 146 
ILE CG2 HG23 sing N N 147 
ILE CD1 HD11 sing N N 148 
ILE CD1 HD12 sing N N 149 
ILE CD1 HD13 sing N N 150 
ILE OXT HXT  sing N N 151 
LEU N   CA   sing N N 152 
LEU N   H    sing N N 153 
LEU N   H2   sing N N 154 
LEU CA  C    sing N N 155 
LEU CA  CB   sing N N 156 
LEU CA  HA   sing N N 157 
LEU C   O    doub N N 158 
LEU C   OXT  sing N N 159 
LEU CB  CG   sing N N 160 
LEU CB  HB2  sing N N 161 
LEU CB  HB3  sing N N 162 
LEU CG  CD1  sing N N 163 
LEU CG  CD2  sing N N 164 
LEU CG  HG   sing N N 165 
LEU CD1 HD11 sing N N 166 
LEU CD1 HD12 sing N N 167 
LEU CD1 HD13 sing N N 168 
LEU CD2 HD21 sing N N 169 
LEU CD2 HD22 sing N N 170 
LEU CD2 HD23 sing N N 171 
LEU OXT HXT  sing N N 172 
LYS N   CA   sing N N 173 
LYS N   H    sing N N 174 
LYS N   H2   sing N N 175 
LYS CA  C    sing N N 176 
LYS CA  CB   sing N N 177 
LYS CA  HA   sing N N 178 
LYS C   O    doub N N 179 
LYS C   OXT  sing N N 180 
LYS CB  CG   sing N N 181 
LYS CB  HB2  sing N N 182 
LYS CB  HB3  sing N N 183 
LYS CG  CD   sing N N 184 
LYS CG  HG2  sing N N 185 
LYS CG  HG3  sing N N 186 
LYS CD  CE   sing N N 187 
LYS CD  HD2  sing N N 188 
LYS CD  HD3  sing N N 189 
LYS CE  NZ   sing N N 190 
LYS CE  HE2  sing N N 191 
LYS CE  HE3  sing N N 192 
LYS NZ  HZ1  sing N N 193 
LYS NZ  HZ2  sing N N 194 
LYS NZ  HZ3  sing N N 195 
LYS OXT HXT  sing N N 196 
MET N   CA   sing N N 197 
MET N   H    sing N N 198 
MET N   H2   sing N N 199 
MET CA  C    sing N N 200 
MET CA  CB   sing N N 201 
MET CA  HA   sing N N 202 
MET C   O    doub N N 203 
MET C   OXT  sing N N 204 
MET CB  CG   sing N N 205 
MET CB  HB2  sing N N 206 
MET CB  HB3  sing N N 207 
MET CG  SD   sing N N 208 
MET CG  HG2  sing N N 209 
MET CG  HG3  sing N N 210 
MET SD  CE   sing N N 211 
MET CE  HE1  sing N N 212 
MET CE  HE2  sing N N 213 
MET CE  HE3  sing N N 214 
MET OXT HXT  sing N N 215 
PHE N   CA   sing N N 216 
PHE N   H    sing N N 217 
PHE N   H2   sing N N 218 
PHE CA  C    sing N N 219 
PHE CA  CB   sing N N 220 
PHE CA  HA   sing N N 221 
PHE C   O    doub N N 222 
PHE C   OXT  sing N N 223 
PHE CB  CG   sing N N 224 
PHE CB  HB2  sing N N 225 
PHE CB  HB3  sing N N 226 
PHE CG  CD1  doub Y N 227 
PHE CG  CD2  sing Y N 228 
PHE CD1 CE1  sing Y N 229 
PHE CD1 HD1  sing N N 230 
PHE CD2 CE2  doub Y N 231 
PHE CD2 HD2  sing N N 232 
PHE CE1 CZ   doub Y N 233 
PHE CE1 HE1  sing N N 234 
PHE CE2 CZ   sing Y N 235 
PHE CE2 HE2  sing N N 236 
PHE CZ  HZ   sing N N 237 
PHE OXT HXT  sing N N 238 
PRO N   CA   sing N N 239 
PRO N   CD   sing N N 240 
PRO N   H    sing N N 241 
PRO CA  C    sing N N 242 
PRO CA  CB   sing N N 243 
PRO CA  HA   sing N N 244 
PRO C   O    doub N N 245 
PRO C   OXT  sing N N 246 
PRO CB  CG   sing N N 247 
PRO CB  HB2  sing N N 248 
PRO CB  HB3  sing N N 249 
PRO CG  CD   sing N N 250 
PRO CG  HG2  sing N N 251 
PRO CG  HG3  sing N N 252 
PRO CD  HD2  sing N N 253 
PRO CD  HD3  sing N N 254 
PRO OXT HXT  sing N N 255 
SER N   CA   sing N N 256 
SER N   H    sing N N 257 
SER N   H2   sing N N 258 
SER CA  C    sing N N 259 
SER CA  CB   sing N N 260 
SER CA  HA   sing N N 261 
SER C   O    doub N N 262 
SER C   OXT  sing N N 263 
SER CB  OG   sing N N 264 
SER CB  HB2  sing N N 265 
SER CB  HB3  sing N N 266 
SER OG  HG   sing N N 267 
SER OXT HXT  sing N N 268 
THR N   CA   sing N N 269 
THR N   H    sing N N 270 
THR N   H2   sing N N 271 
THR CA  C    sing N N 272 
THR CA  CB   sing N N 273 
THR CA  HA   sing N N 274 
THR C   O    doub N N 275 
THR C   OXT  sing N N 276 
THR CB  OG1  sing N N 277 
THR CB  CG2  sing N N 278 
THR CB  HB   sing N N 279 
THR OG1 HG1  sing N N 280 
THR CG2 HG21 sing N N 281 
THR CG2 HG22 sing N N 282 
THR CG2 HG23 sing N N 283 
THR OXT HXT  sing N N 284 
TRP N   CA   sing N N 285 
TRP N   H    sing N N 286 
TRP N   H2   sing N N 287 
TRP CA  C    sing N N 288 
TRP CA  CB   sing N N 289 
TRP CA  HA   sing N N 290 
TRP C   O    doub N N 291 
TRP C   OXT  sing N N 292 
TRP CB  CG   sing N N 293 
TRP CB  HB2  sing N N 294 
TRP CB  HB3  sing N N 295 
TRP CG  CD1  doub Y N 296 
TRP CG  CD2  sing Y N 297 
TRP CD1 NE1  sing Y N 298 
TRP CD1 HD1  sing N N 299 
TRP CD2 CE2  doub Y N 300 
TRP CD2 CE3  sing Y N 301 
TRP NE1 CE2  sing Y N 302 
TRP NE1 HE1  sing N N 303 
TRP CE2 CZ2  sing Y N 304 
TRP CE3 CZ3  doub Y N 305 
TRP CE3 HE3  sing N N 306 
TRP CZ2 CH2  doub Y N 307 
TRP CZ2 HZ2  sing N N 308 
TRP CZ3 CH2  sing Y N 309 
TRP CZ3 HZ3  sing N N 310 
TRP CH2 HH2  sing N N 311 
TRP OXT HXT  sing N N 312 
TYR N   CA   sing N N 313 
TYR N   H    sing N N 314 
TYR N   H2   sing N N 315 
TYR CA  C    sing N N 316 
TYR CA  CB   sing N N 317 
TYR CA  HA   sing N N 318 
TYR C   O    doub N N 319 
TYR C   OXT  sing N N 320 
TYR CB  CG   sing N N 321 
TYR CB  HB2  sing N N 322 
TYR CB  HB3  sing N N 323 
TYR CG  CD1  doub Y N 324 
TYR CG  CD2  sing Y N 325 
TYR CD1 CE1  sing Y N 326 
TYR CD1 HD1  sing N N 327 
TYR CD2 CE2  doub Y N 328 
TYR CD2 HD2  sing N N 329 
TYR CE1 CZ   doub Y N 330 
TYR CE1 HE1  sing N N 331 
TYR CE2 CZ   sing Y N 332 
TYR CE2 HE2  sing N N 333 
TYR CZ  OH   sing N N 334 
TYR OH  HH   sing N N 335 
TYR OXT HXT  sing N N 336 
VAL N   CA   sing N N 337 
VAL N   H    sing N N 338 
VAL N   H2   sing N N 339 
VAL CA  C    sing N N 340 
VAL CA  CB   sing N N 341 
VAL CA  HA   sing N N 342 
VAL C   O    doub N N 343 
VAL C   OXT  sing N N 344 
VAL CB  CG1  sing N N 345 
VAL CB  CG2  sing N N 346 
VAL CB  HB   sing N N 347 
VAL CG1 HG11 sing N N 348 
VAL CG1 HG12 sing N N 349 
VAL CG1 HG13 sing N N 350 
VAL CG2 HG21 sing N N 351 
VAL CG2 HG22 sing N N 352 
VAL CG2 HG23 sing N N 353 
VAL OXT HXT  sing N N 354 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Department of Energy (DOE, United States)'                                                'United States' DE-AC02-76SF00515 1 
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)' 'United States' P30GM133894       2 
# 
_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      Other 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          'Wild type structure' 
# 
_atom_sites.entry_id                    9AVE 
_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]   0.023121 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.023121 
_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]   0.008347 
_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   . LYS A 1 32  ? 10.539  15.881  5.745  1.00 119.26 ? 32  LYS A N   1 
ATOM   2   C CA  . LYS A 1 32  ? 10.023  15.257  6.964  1.00 117.99 ? 32  LYS A CA  1 
ATOM   3   C C   . LYS A 1 32  ? 8.516   14.982  6.867  1.00 120.09 ? 32  LYS A C   1 
ATOM   4   O O   . LYS A 1 32  ? 8.052   13.892  7.230  1.00 113.64 ? 32  LYS A O   1 
ATOM   5   C CB  . LYS A 1 32  ? 10.313  16.128  8.192  1.00 123.98 ? 32  LYS A CB  1 
ATOM   6   C CG  . LYS A 1 32  ? 9.606   15.641  9.463  1.00 124.65 ? 32  LYS A CG  1 
ATOM   7   C CD  . LYS A 1 32  ? 10.227  16.166  10.767 1.00 123.10 ? 32  LYS A CD  1 
ATOM   8   C CE  . LYS A 1 32  ? 9.390   17.303  11.372 1.00 124.67 ? 32  LYS A CE  1 
ATOM   9   N NZ  . LYS A 1 32  ? 9.926   17.807  12.679 1.00 113.29 ? 32  LYS A NZ  1 
ATOM   10  N N   . SER A 1 33  ? 7.751   15.979  6.398  1.00 122.19 ? 33  SER A N   1 
ATOM   11  C CA  . SER A 1 33  ? 6.322   15.807  6.128  1.00 114.28 ? 33  SER A CA  1 
ATOM   12  C C   . SER A 1 33  ? 6.053   14.947  4.898  1.00 113.09 ? 33  SER A C   1 
ATOM   13  O O   . SER A 1 33  ? 4.884   14.671  4.595  1.00 108.72 ? 33  SER A O   1 
ATOM   14  C CB  . SER A 1 33  ? 5.642   17.170  5.962  1.00 113.80 ? 33  SER A CB  1 
ATOM   15  O OG  . SER A 1 33  ? 4.368   17.037  5.350  1.00 104.99 ? 33  SER A OG  1 
ATOM   16  N N   . GLU A 1 34  ? 7.097   14.548  4.171  1.00 116.77 ? 34  GLU A N   1 
ATOM   17  C CA  . GLU A 1 34  ? 6.989   13.518  3.146  1.00 115.13 ? 34  GLU A CA  1 
ATOM   18  C C   . GLU A 1 34  ? 7.563   12.179  3.577  1.00 106.82 ? 34  GLU A C   1 
ATOM   19  O O   . GLU A 1 34  ? 7.175   11.153  3.011  1.00 106.01 ? 34  GLU A O   1 
ATOM   20  C CB  . GLU A 1 34  ? 7.675   13.964  1.845  1.00 113.98 ? 34  GLU A CB  1 
ATOM   21  C CG  . GLU A 1 34  ? 7.336   15.387  1.414  1.00 117.02 ? 34  GLU A CG  1 
ATOM   22  C CD  . GLU A 1 34  ? 8.397   16.004  0.499  1.00 128.35 ? 34  GLU A CD  1 
ATOM   23  O OE1 . GLU A 1 34  ? 8.587   15.507  -0.640 1.00 129.81 ? 34  GLU A OE1 1 
ATOM   24  O OE2 . GLU A 1 34  ? 9.045   16.991  0.925  1.00 125.79 ? 34  GLU A OE2 1 
ATOM   25  N N   . GLN A 1 35  ? 8.466   12.148  4.566  1.00 107.41 ? 35  GLN A N   1 
ATOM   26  C CA  . GLN A 1 35  ? 8.895   10.860  5.109  1.00 110.40 ? 35  GLN A CA  1 
ATOM   27  C C   . GLN A 1 35  ? 7.750   10.165  5.834  1.00 108.94 ? 35  GLN A C   1 
ATOM   28  O O   . GLN A 1 35  ? 7.768   8.935   5.989  1.00 102.71 ? 35  GLN A O   1 
ATOM   29  C CB  . GLN A 1 35  ? 10.091  11.027  6.052  1.00 108.20 ? 35  GLN A CB  1 
ATOM   30  C CG  . GLN A 1 35  ? 11.054  12.142  5.660  1.00 118.60 ? 35  GLN A CG  1 
ATOM   31  C CD  . GLN A 1 35  ? 12.209  12.297  6.639  1.00 126.67 ? 35  GLN A CD  1 
ATOM   32  O OE1 . GLN A 1 35  ? 12.085  11.973  7.822  1.00 135.91 ? 35  GLN A OE1 1 
ATOM   33  N NE2 . GLN A 1 35  ? 13.332  12.825  6.153  1.00 131.79 ? 35  GLN A NE2 1 
ATOM   34  N N   . PHE A 1 36  ? 6.751   10.934  6.271  1.00 105.56 ? 36  PHE A N   1 
ATOM   35  C CA  . PHE A 1 36  ? 5.551   10.370  6.871  1.00 101.17 ? 36  PHE A CA  1 
ATOM   36  C C   . PHE A 1 36  ? 4.620   9.793   5.808  1.00 100.05 ? 36  PHE A C   1 
ATOM   37  O O   . PHE A 1 36  ? 4.114   8.671   5.957  1.00 94.05  ? 36  PHE A O   1 
ATOM   38  C CB  . PHE A 1 36  ? 4.843   11.446  7.704  1.00 99.49  ? 36  PHE A CB  1 
ATOM   39  C CG  . PHE A 1 36  ? 3.369   11.181  7.946  1.00 97.77  ? 36  PHE A CG  1 
ATOM   40  C CD1 . PHE A 1 36  ? 2.958   10.447  9.049  1.00 94.10  ? 36  PHE A CD1 1 
ATOM   41  C CD2 . PHE A 1 36  ? 2.399   11.714  7.106  1.00 96.56  ? 36  PHE A CD2 1 
ATOM   42  C CE1 . PHE A 1 36  ? 1.610   10.210  9.289  1.00 94.23  ? 36  PHE A CE1 1 
ATOM   43  C CE2 . PHE A 1 36  ? 1.049   11.487  7.341  1.00 94.60  ? 36  PHE A CE2 1 
ATOM   44  C CZ  . PHE A 1 36  ? 0.652   10.734  8.434  1.00 91.51  ? 36  PHE A CZ  1 
ATOM   45  N N   . GLU A 1 37  ? 4.376   10.554  4.733  1.00 99.75  ? 37  GLU A N   1 
ATOM   46  C CA  . GLU A 1 37  ? 3.533   10.072  3.643  1.00 97.45  ? 37  GLU A CA  1 
ATOM   47  C C   . GLU A 1 37  ? 3.988   8.713   3.130  1.00 90.22  ? 37  GLU A C   1 
ATOM   48  O O   . GLU A 1 37  ? 3.163   7.842   2.841  1.00 93.56  ? 37  GLU A O   1 
ATOM   49  C CB  . GLU A 1 37  ? 3.536   11.081  2.506  1.00 100.43 ? 37  GLU A CB  1 
ATOM   50  C CG  . GLU A 1 37  ? 2.825   12.350  2.838  1.00 101.48 ? 37  GLU A CG  1 
ATOM   51  C CD  . GLU A 1 37  ? 1.469   12.384  2.202  1.00 108.00 ? 37  GLU A CD  1 
ATOM   52  O OE1 . GLU A 1 37  ? 0.725   11.380  2.332  1.00 108.08 ? 37  GLU A OE1 1 
ATOM   53  O OE2 . GLU A 1 37  ? 1.164   13.399  1.542  1.00 117.73 ? 37  GLU A OE2 1 
ATOM   54  N N   . TYR A 1 38  ? 5.301   8.531   2.982  1.00 87.66  ? 38  TYR A N   1 
ATOM   55  C CA  . TYR A 1 38  ? 5.836   7.219   2.641  1.00 91.73  ? 38  TYR A CA  1 
ATOM   56  C C   . TYR A 1 38  ? 5.402   6.181   3.664  1.00 87.15  ? 38  TYR A C   1 
ATOM   57  O O   . TYR A 1 38  ? 4.821   5.144   3.318  1.00 85.42  ? 38  TYR A O   1 
ATOM   58  C CB  . TYR A 1 38  ? 7.364   7.291   2.562  1.00 90.49  ? 38  TYR A CB  1 
ATOM   59  C CG  . TYR A 1 38  ? 8.061   5.990   2.204  1.00 86.73  ? 38  TYR A CG  1 
ATOM   60  C CD1 . TYR A 1 38  ? 7.491   5.091   1.305  1.00 90.52  ? 38  TYR A CD1 1 
ATOM   61  C CD2 . TYR A 1 38  ? 9.312   5.679   2.739  1.00 86.54  ? 38  TYR A CD2 1 
ATOM   62  C CE1 . TYR A 1 38  ? 8.138   3.907   0.963  1.00 88.42  ? 38  TYR A CE1 1 
ATOM   63  C CE2 . TYR A 1 38  ? 9.969   4.502   2.402  1.00 86.54  ? 38  TYR A CE2 1 
ATOM   64  C CZ  . TYR A 1 38  ? 9.377   3.615   1.516  1.00 87.02  ? 38  TYR A CZ  1 
ATOM   65  O OH  . TYR A 1 38  ? 10.015  2.431   1.181  1.00 88.92  ? 38  TYR A OH  1 
ATOM   66  N N   . ALA A 1 39  ? 5.678   6.453   4.941  1.00 87.01  ? 39  ALA A N   1 
ATOM   67  C CA  . ALA A 1 39  ? 5.320   5.501   5.984  1.00 86.18  ? 39  ALA A CA  1 
ATOM   68  C C   . ALA A 1 39  ? 3.809   5.341   6.096  1.00 82.01  ? 39  ALA A C   1 
ATOM   69  O O   . ALA A 1 39  ? 3.335   4.261   6.462  1.00 79.30  ? 39  ALA A O   1 
ATOM   70  C CB  . ALA A 1 39  ? 5.939   5.932   7.319  1.00 86.61  ? 39  ALA A CB  1 
ATOM   71  N N   . TRP A 1 40  ? 3.042   6.392   5.769  1.00 84.25  ? 40  TRP A N   1 
ATOM   72  C CA  . TRP A 1 40  ? 1.581   6.294   5.780  1.00 88.50  ? 40  TRP A CA  1 
ATOM   73  C C   . TRP A 1 40  ? 1.103   5.347   4.697  1.00 85.04  ? 40  TRP A C   1 
ATOM   74  O O   . TRP A 1 40  ? 0.217   4.513   4.926  1.00 76.64  ? 40  TRP A O   1 
ATOM   75  C CB  . TRP A 1 40  ? 0.943   7.673   5.580  1.00 87.49  ? 40  TRP A CB  1 
ATOM   76  C CG  . TRP A 1 40  ? -0.602  7.714   5.437  1.00 88.18  ? 40  TRP A CG  1 
ATOM   77  C CD1 . TRP A 1 40  ? -1.522  7.650   6.449  1.00 87.30  ? 40  TRP A CD1 1 
ATOM   78  C CD2 . TRP A 1 40  ? -1.364  7.890   4.220  1.00 86.92  ? 40  TRP A CD2 1 
ATOM   79  N NE1 . TRP A 1 40  ? -2.801  7.757   5.943  1.00 90.55  ? 40  TRP A NE1 1 
ATOM   80  C CE2 . TRP A 1 40  ? -2.734  7.906   4.582  1.00 88.77  ? 40  TRP A CE2 1 
ATOM   81  C CE3 . TRP A 1 40  ? -1.020  8.031   2.866  1.00 87.25  ? 40  TRP A CE3 1 
ATOM   82  C CZ2 . TRP A 1 40  ? -3.762  8.053   3.639  1.00 85.57  ? 40  TRP A CZ2 1 
ATOM   83  C CZ3 . TRP A 1 40  ? -2.042  8.175   1.930  1.00 84.80  ? 40  TRP A CZ3 1 
ATOM   84  C CH2 . TRP A 1 40  ? -3.397  8.183   2.323  1.00 85.24  ? 40  TRP A CH2 1 
ATOM   85  N N   . CYS A 1 41  ? 1.663   5.486   3.496  1.00 78.89  ? 41  CYS A N   1 
ATOM   86  C CA  . CYS A 1 41  ? 1.329   4.542   2.449  1.00 81.48  ? 41  CYS A CA  1 
ATOM   87  C C   . CYS A 1 41  ? 1.790   3.144   2.836  1.00 76.41  ? 41  CYS A C   1 
ATOM   88  O O   . CYS A 1 41  ? 1.056   2.173   2.627  1.00 71.22  ? 41  CYS A O   1 
ATOM   89  C CB  . CYS A 1 41  ? 1.933   4.984   1.117  1.00 85.37  ? 41  CYS A CB  1 
ATOM   90  S SG  . CYS A 1 41  ? 2.159   3.643   -0.073 1.00 83.49  ? 41  CYS A SG  1 
ATOM   91  N N   . LEU A 1 42  ? 2.971   3.031   3.464  1.00 75.50  ? 42  LEU A N   1 
ATOM   92  C CA  . LEU A 1 42  ? 3.496   1.718   3.845  1.00 77.41  ? 42  LEU A CA  1 
ATOM   93  C C   . LEU A 1 42  ? 2.633   1.054   4.913  1.00 76.59  ? 42  LEU A C   1 
ATOM   94  O O   . LEU A 1 42  ? 2.327   -0.145  4.829  1.00 79.67  ? 42  LEU A O   1 
ATOM   95  C CB  . LEU A 1 42  ? 4.937   1.842   4.337  1.00 78.01  ? 42  LEU A CB  1 
ATOM   96  C CG  . LEU A 1 42  ? 6.068   1.883   3.312  1.00 79.45  ? 42  LEU A CG  1 
ATOM   97  C CD1 . LEU A 1 42  ? 7.278   2.528   3.982  1.00 82.54  ? 42  LEU A CD1 1 
ATOM   98  C CD2 . LEU A 1 42  ? 6.402   0.489   2.817  1.00 73.02  ? 42  LEU A CD2 1 
ATOM   99  N N   . VAL A 1 43  ? 2.239   1.810   5.933  1.00 72.07  ? 43  VAL A N   1 
ATOM   100 C CA  . VAL A 1 43  ? 1.379   1.255   6.962  1.00 74.64  ? 43  VAL A CA  1 
ATOM   101 C C   . VAL A 1 43  ? 0.006   0.932   6.377  1.00 69.93  ? 43  VAL A C   1 
ATOM   102 O O   . VAL A 1 43  ? -0.768  0.185   6.979  1.00 68.50  ? 43  VAL A O   1 
ATOM   103 C CB  . VAL A 1 43  ? 1.351   2.246   8.162  1.00 75.25  ? 43  VAL A CB  1 
ATOM   104 C CG1 . VAL A 1 43  ? 0.074   2.172   8.980  1.00 70.44  ? 43  VAL A CG1 1 
ATOM   105 C CG2 . VAL A 1 43  ? 2.547   2.007   9.062  1.00 75.80  ? 43  VAL A CG2 1 
ATOM   106 N N   . ARG A 1 44  ? -0.301  1.448   5.182  1.00 71.78  ? 44  ARG A N   1 
ATOM   107 C CA  . ARG A 1 44  ? -1.546  1.110   4.500  1.00 73.37  ? 44  ARG A CA  1 
ATOM   108 C C   . ARG A 1 44  ? -1.463  -0.194  3.704  1.00 74.63  ? 44  ARG A C   1 
ATOM   109 O O   . ARG A 1 44  ? -2.506  -0.693  3.277  1.00 70.52  ? 44  ARG A O   1 
ATOM   110 C CB  . ARG A 1 44  ? -1.953  2.232   3.530  1.00 72.56  ? 44  ARG A CB  1 
ATOM   111 C CG  . ARG A 1 44  ? -2.577  3.472   4.168  1.00 86.18  ? 44  ARG A CG  1 
ATOM   112 C CD  . ARG A 1 44  ? -2.456  4.736   3.273  1.00 81.89  ? 44  ARG A CD  1 
ATOM   113 N NE  . ARG A 1 44  ? -3.568  4.929   2.346  1.00 81.62  ? 44  ARG A NE  1 
ATOM   114 C CZ  . ARG A 1 44  ? -4.828  5.158   2.708  1.00 89.07  ? 44  ARG A CZ  1 
ATOM   115 N NH1 . ARG A 1 44  ? -5.204  5.112   3.979  1.00 87.36  ? 44  ARG A NH1 1 
ATOM   116 N NH2 . ARG A 1 44  ? -5.734  5.452   1.773  1.00 85.63  ? 44  ARG A NH2 1 
ATOM   117 N N   . SER A 1 45  ? -0.266  -0.749  3.468  1.00 72.51  ? 45  SER A N   1 
ATOM   118 C CA  . SER A 1 45  ? -0.144  -1.679  2.351  1.00 76.47  ? 45  SER A CA  1 
ATOM   119 C C   . SER A 1 45  ? -0.788  -3.032  2.670  1.00 73.93  ? 45  SER A C   1 
ATOM   120 O O   . SER A 1 45  ? -1.107  -3.355  3.823  1.00 70.65  ? 45  SER A O   1 
ATOM   121 C CB  . SER A 1 45  ? 1.317   -1.895  1.957  1.00 78.09  ? 45  SER A CB  1 
ATOM   122 O OG  . SER A 1 45  ? 1.833   -3.055  2.591  1.00 82.70  ? 45  SER A OG  1 
ATOM   123 N N   . LYS A 1 46  ? -0.983  -3.832  1.614  1.00 74.13  ? 46  LYS A N   1 
ATOM   124 C CA  . LYS A 1 46  ? -1.537  -5.175  1.790  1.00 79.83  ? 46  LYS A CA  1 
ATOM   125 C C   . LYS A 1 46  ? -0.483  -6.187  2.218  1.00 79.31  ? 46  LYS A C   1 
ATOM   126 O O   . LYS A 1 46  ? -0.838  -7.319  2.570  1.00 83.46  ? 46  LYS A O   1 
ATOM   127 C CB  . LYS A 1 46  ? -2.233  -5.664  0.503  1.00 78.74  ? 46  LYS A CB  1 
ATOM   128 C CG  . LYS A 1 46  ? -1.575  -5.220  -0.801 1.00 80.56  ? 46  LYS A CG  1 
ATOM   129 C CD  . LYS A 1 46  ? -2.530  -5.193  -2.015 1.00 81.74  ? 46  LYS A CD  1 
ATOM   130 C CE  . LYS A 1 46  ? -3.290  -6.504  -2.248 1.00 85.41  ? 46  LYS A CE  1 
ATOM   131 N NZ  . LYS A 1 46  ? -4.345  -6.460  -3.333 1.00 82.40  ? 46  LYS A NZ  1 
ATOM   132 N N   . TYR A 1 47  ? 0.791   -5.804  2.225  1.00 75.70  ? 47  TYR A N   1 
ATOM   133 C CA  . TYR A 1 47  ? 1.887   -6.718  2.507  1.00 80.24  ? 47  TYR A CA  1 
ATOM   134 C C   . TYR A 1 47  ? 2.439   -6.440  3.897  1.00 80.92  ? 47  TYR A C   1 
ATOM   135 O O   . TYR A 1 47  ? 2.798   -5.296  4.218  1.00 81.27  ? 47  TYR A O   1 
ATOM   136 C CB  . TYR A 1 47  ? 2.967   -6.600  1.424  1.00 79.34  ? 47  TYR A CB  1 
ATOM   137 C CG  . TYR A 1 47  ? 2.343   -6.756  0.059  1.00 86.46  ? 47  TYR A CG  1 
ATOM   138 C CD1 . TYR A 1 47  ? 1.749   -7.972  -0.311 1.00 87.92  ? 47  TYR A CD1 1 
ATOM   139 C CD2 . TYR A 1 47  ? 2.298   -5.696  -0.844 1.00 80.86  ? 47  TYR A CD2 1 
ATOM   140 C CE1 . TYR A 1 47  ? 1.134   -8.129  -1.542 1.00 86.23  ? 47  TYR A CE1 1 
ATOM   141 C CE2 . TYR A 1 47  ? 1.695   -5.845  -2.089 1.00 84.01  ? 47  TYR A CE2 1 
ATOM   142 C CZ  . TYR A 1 47  ? 1.113   -7.069  -2.430 1.00 87.50  ? 47  TYR A CZ  1 
ATOM   143 O OH  . TYR A 1 47  ? 0.501   -7.251  -3.650 1.00 86.65  ? 47  TYR A OH  1 
ATOM   144 N N   . ASN A 1 48  ? 2.494   -7.493  4.717  1.00 76.89  ? 48  ASN A N   1 
ATOM   145 C CA  . ASN A 1 48  ? 2.887   -7.339  6.114  1.00 85.32  ? 48  ASN A CA  1 
ATOM   146 C C   . ASN A 1 48  ? 4.279   -6.732  6.248  1.00 88.98  ? 48  ASN A C   1 
ATOM   147 O O   . ASN A 1 48  ? 4.545   -6.011  7.216  1.00 89.81  ? 48  ASN A O   1 
ATOM   148 C CB  . ASN A 1 48  ? 2.830   -8.688  6.828  1.00 82.62  ? 48  ASN A CB  1 
ATOM   149 C CG  . ASN A 1 48  ? 1.419   -9.198  6.968  1.00 91.86  ? 48  ASN A CG  1 
ATOM   150 O OD1 . ASN A 1 48  ? 0.609   -8.651  7.724  1.00 93.02  ? 48  ASN A OD1 1 
ATOM   151 N ND2 . ASN A 1 48  ? 1.109   -10.266 6.227  1.00 99.65  ? 48  ASN A ND2 1 
ATOM   152 N N   . ASP A 1 49  ? 5.165   -6.975  5.278  1.00 82.95  ? 49  ASP A N   1 
ATOM   153 C CA  . ASP A 1 49  ? 6.516   -6.431  5.375  1.00 84.47  ? 49  ASP A CA  1 
ATOM   154 C C   . ASP A 1 49  ? 6.529   -4.925  5.132  1.00 88.31  ? 49  ASP A C   1 
ATOM   155 O O   . ASP A 1 49  ? 7.295   -4.193  5.780  1.00 89.44  ? 49  ASP A O   1 
ATOM   156 C CB  . ASP A 1 49  ? 7.431   -7.149  4.384  1.00 87.43  ? 49  ASP A CB  1 
ATOM   157 C CG  . ASP A 1 49  ? 7.785   -8.559  4.844  1.00 104.72 ? 49  ASP A CG  1 
ATOM   158 O OD1 . ASP A 1 49  ? 8.021   -9.437  3.977  1.00 109.86 ? 49  ASP A OD1 1 
ATOM   159 O OD2 . ASP A 1 49  ? 7.820   -8.792  6.078  1.00 109.22 ? 49  ASP A OD2 1 
ATOM   160 N N   . ASP A 1 50  ? 5.710   -4.439  4.188  1.00 77.49  ? 50  ASP A N   1 
ATOM   161 C CA  . ASP A 1 50  ? 5.603   -2.998  4.026  1.00 80.18  ? 50  ASP A CA  1 
ATOM   162 C C   . ASP A 1 50  ? 5.072   -2.360  5.305  1.00 80.34  ? 50  ASP A C   1 
ATOM   163 O O   . ASP A 1 50  ? 5.445   -1.229  5.638  1.00 86.24  ? 50  ASP A O   1 
ATOM   164 C CB  . ASP A 1 50  ? 4.712   -2.631  2.826  1.00 80.65  ? 50  ASP A CB  1 
ATOM   165 C CG  . ASP A 1 50  ? 5.354   -2.928  1.460  1.00 84.29  ? 50  ASP A CG  1 
ATOM   166 O OD1 . ASP A 1 50  ? 6.245   -3.803  1.375  1.00 83.03  ? 50  ASP A OD1 1 
ATOM   167 O OD2 . ASP A 1 50  ? 4.942   -2.285  0.452  1.00 87.17  ? 50  ASP A OD2 1 
ATOM   168 N N   . ILE A 1 51  ? 4.237   -3.083  6.060  1.00 79.44  ? 51  ILE A N   1 
ATOM   169 C CA  . ILE A 1 51  ? 3.664   -2.514  7.274  1.00 81.91  ? 51  ILE A CA  1 
ATOM   170 C C   . ILE A 1 51  ? 4.731   -2.425  8.354  1.00 82.96  ? 51  ILE A C   1 
ATOM   171 O O   . ILE A 1 51  ? 4.874   -1.392  9.017  1.00 78.54  ? 51  ILE A O   1 
ATOM   172 C CB  . ILE A 1 51  ? 2.461   -3.342  7.760  1.00 79.00  ? 51  ILE A CB  1 
ATOM   173 C CG1 . ILE A 1 51  ? 1.295   -3.283  6.784  1.00 78.04  ? 51  ILE A CG1 1 
ATOM   174 C CG2 . ILE A 1 51  ? 1.959   -2.840  9.101  1.00 70.39  ? 51  ILE A CG2 1 
ATOM   175 C CD1 . ILE A 1 51  ? 0.206   -4.238  7.170  1.00 76.11  ? 51  ILE A CD1 1 
ATOM   176 N N   . ARG A 1 52  ? 5.498   -3.507  8.549  1.00 86.46  ? 52  ARG A N   1 
ATOM   177 C CA  . ARG A 1 52  ? 6.577   -3.490  9.546  1.00 88.46  ? 52  ARG A CA  1 
ATOM   178 C C   . ARG A 1 52  ? 7.560   -2.361  9.272  1.00 85.49  ? 52  ARG A C   1 
ATOM   179 O O   . ARG A 1 52  ? 8.003   -1.670  10.201 1.00 86.50  ? 52  ARG A O   1 
ATOM   180 C CB  . ARG A 1 52  ? 7.306   -4.841  9.586  1.00 80.19  ? 52  ARG A CB  1 
ATOM   181 C CG  . ARG A 1 52  ? 6.402   -6.000  9.976  1.00 83.08  ? 52  ARG A CG  1 
ATOM   182 C CD  . ARG A 1 52  ? 6.767   -6.611  11.323 1.00 89.15  ? 52  ARG A CD  1 
ATOM   183 N NE  . ARG A 1 52  ? 5.979   -7.815  11.575 1.00 90.66  ? 52  ARG A NE  1 
ATOM   184 C CZ  . ARG A 1 52  ? 5.499   -8.153  12.766 1.00 94.33  ? 52  ARG A CZ  1 
ATOM   185 N NH1 . ARG A 1 52  ? 5.713   -7.398  13.836 1.00 90.70  ? 52  ARG A NH1 1 
ATOM   186 N NH2 . ARG A 1 52  ? 4.781   -9.270  12.886 1.00 89.42  ? 52  ARG A NH2 1 
ATOM   187 N N   . LYS A 1 53  ? 7.891   -2.152  7.994  1.00 85.69  ? 53  LYS A N   1 
ATOM   188 C CA  . LYS A 1 53  ? 8.729   -1.029  7.578  1.00 87.17  ? 53  LYS A CA  1 
ATOM   189 C C   . LYS A 1 53  ? 8.053   0.317   7.875  1.00 87.67  ? 53  LYS A C   1 
ATOM   190 O O   . LYS A 1 53  ? 8.702   1.269   8.332  1.00 89.06  ? 53  LYS A O   1 
ATOM   191 C CB  . LYS A 1 53  ? 9.049   -1.188  6.086  1.00 90.88  ? 53  LYS A CB  1 
ATOM   192 C CG  . LYS A 1 53  ? 9.848   -0.065  5.434  1.00 94.22  ? 53  LYS A CG  1 
ATOM   193 C CD  . LYS A 1 53  ? 10.217  -0.424  3.977  1.00 98.94  ? 53  LYS A CD  1 
ATOM   194 C CE  . LYS A 1 53  ? 10.289  -1.943  3.750  1.00 91.79  ? 53  LYS A CE  1 
ATOM   195 N NZ  . LYS A 1 53  ? 10.208  -2.338  2.310  1.00 95.33  ? 53  LYS A NZ  1 
ATOM   196 N N   . GLY A 1 54  ? 6.743   0.411   7.630  1.00 84.68  ? 54  GLY A N   1 
ATOM   197 C CA  . GLY A 1 54  ? 6.030   1.646   7.916  1.00 83.91  ? 54  GLY A CA  1 
ATOM   198 C C   . GLY A 1 54  ? 6.036   2.024   9.390  1.00 85.29  ? 54  GLY A C   1 
ATOM   199 O O   . GLY A 1 54  ? 6.193   3.201   9.735  1.00 81.52  ? 54  GLY A O   1 
ATOM   200 N N   . ILE A 1 55  ? 5.827   1.049   10.280 1.00 80.30  ? 55  ILE A N   1 
ATOM   201 C CA  . ILE A 1 55  ? 5.930   1.348   11.706 1.00 81.97  ? 55  ILE A CA  1 
ATOM   202 C C   . ILE A 1 55  ? 7.298   1.896   12.047 1.00 89.98  ? 55  ILE A C   1 
ATOM   203 O O   . ILE A 1 55  ? 7.425   2.974   12.649 1.00 87.95  ? 55  ILE A O   1 
ATOM   204 C CB  . ILE A 1 55  ? 5.610   0.122   12.572 1.00 83.77  ? 55  ILE A CB  1 
ATOM   205 C CG1 . ILE A 1 55  ? 4.155   -0.308  12.369 1.00 82.21  ? 55  ILE A CG1 1 
ATOM   206 C CG2 . ILE A 1 55  ? 5.999   0.392   14.038 1.00 90.30  ? 55  ILE A CG2 1 
ATOM   207 C CD1 . ILE A 1 55  ? 3.954   -1.664  11.760 1.00 83.46  ? 55  ILE A CD1 1 
ATOM   208 N N   . VAL A 1 56  ? 8.339   1.138   11.701 1.00 87.50  ? 56  VAL A N   1 
ATOM   209 C CA  . VAL A 1 56  ? 9.699   1.514   12.060 1.00 89.40  ? 56  VAL A CA  1 
ATOM   210 C C   . VAL A 1 56  ? 10.002  2.939   11.606 1.00 88.25  ? 56  VAL A C   1 
ATOM   211 O O   . VAL A 1 56  ? 10.582  3.728   12.362 1.00 93.01  ? 56  VAL A O   1 
ATOM   212 C CB  . VAL A 1 56  ? 10.699  0.495   11.481 1.00 92.97  ? 56  VAL A CB  1 
ATOM   213 C CG1 . VAL A 1 56  ? 12.068  1.156   11.250 1.00 94.72  ? 56  VAL A CG1 1 
ATOM   214 C CG2 . VAL A 1 56  ? 10.810  -0.733  12.398 1.00 84.84  ? 56  VAL A CG2 1 
ATOM   215 N N   . LEU A 1 57  ? 9.598   3.302   10.380 1.00 83.63  ? 57  LEU A N   1 
ATOM   216 C CA  . LEU A 1 57  ? 9.769   4.688   9.940  1.00 87.69  ? 57  LEU A CA  1 
ATOM   217 C C   . LEU A 1 57  ? 8.985   5.661   10.806 1.00 94.34  ? 57  LEU A C   1 
ATOM   218 O O   . LEU A 1 57  ? 9.425   6.798   11.009 1.00 98.25  ? 57  LEU A O   1 
ATOM   219 C CB  . LEU A 1 57  ? 9.353   4.865   8.480  1.00 89.29  ? 57  LEU A CB  1 
ATOM   220 C CG  . LEU A 1 57  ? 10.489  4.854   7.457  1.00 98.13  ? 57  LEU A CG  1 
ATOM   221 C CD1 . LEU A 1 57  ? 11.229  3.513   7.434  1.00 94.76  ? 57  LEU A CD1 1 
ATOM   222 C CD2 . LEU A 1 57  ? 9.959   5.243   6.080  1.00 93.68  ? 57  LEU A CD2 1 
ATOM   223 N N   . LEU A 1 58  ? 7.823   5.240   11.315 1.00 89.57  ? 58  LEU A N   1 
ATOM   224 C CA  . LEU A 1 58  ? 7.055   6.091   12.214 1.00 87.59  ? 58  LEU A CA  1 
ATOM   225 C C   . LEU A 1 58  ? 7.685   6.152   13.601 1.00 88.17  ? 58  LEU A C   1 
ATOM   226 O O   . LEU A 1 58  ? 7.672   7.208   14.242 1.00 87.64  ? 58  LEU A O   1 
ATOM   227 C CB  . LEU A 1 58  ? 5.624   5.580   12.300 1.00 86.33  ? 58  LEU A CB  1 
ATOM   228 C CG  . LEU A 1 58  ? 4.774   5.893   11.087 1.00 79.82  ? 58  LEU A CG  1 
ATOM   229 C CD1 . LEU A 1 58  ? 3.397   5.320   11.283 1.00 79.80  ? 58  LEU A CD1 1 
ATOM   230 C CD2 . LEU A 1 58  ? 4.711   7.383   10.921 1.00 80.18  ? 58  LEU A CD2 1 
ATOM   231 N N   . GLU A 1 59  ? 8.212   5.027   14.096 1.00 87.14  ? 59  GLU A N   1 
ATOM   232 C CA  . GLU A 1 59  ? 8.963   5.056   15.350 1.00 92.21  ? 59  GLU A CA  1 
ATOM   233 C C   . GLU A 1 59  ? 10.186  5.972   15.249 1.00 100.36 ? 59  GLU A C   1 
ATOM   234 O O   . GLU A 1 59  ? 10.534  6.673   16.210 1.00 99.75  ? 59  GLU A O   1 
ATOM   235 C CB  . GLU A 1 59  ? 9.363   3.635   15.752 1.00 89.50  ? 59  GLU A CB  1 
ATOM   236 C CG  . GLU A 1 59  ? 8.188   2.831   16.311 1.00 91.41  ? 59  GLU A CG  1 
ATOM   237 C CD  . GLU A 1 59  ? 8.472   1.343   16.473 1.00 94.46  ? 59  GLU A CD  1 
ATOM   238 O OE1 . GLU A 1 59  ? 9.467   0.849   15.883 1.00 96.13  ? 59  GLU A OE1 1 
ATOM   239 O OE2 . GLU A 1 59  ? 7.685   0.665   17.185 1.00 89.69  ? 59  GLU A OE2 1 
ATOM   240 N N   . GLU A 1 60  ? 10.837  6.010   14.082 1.00 98.02  ? 60  GLU A N   1 
ATOM   241 C CA  . GLU A 1 60  ? 11.943  6.944   13.917 1.00 96.92  ? 60  GLU A CA  1 
ATOM   242 C C   . GLU A 1 60  ? 11.467  8.387   13.829 1.00 98.71  ? 60  GLU A C   1 
ATOM   243 O O   . GLU A 1 60  ? 12.180  9.292   14.273 1.00 104.14 ? 60  GLU A O   1 
ATOM   244 C CB  . GLU A 1 60  ? 12.767  6.606   12.679 1.00 99.67  ? 60  GLU A CB  1 
ATOM   245 C CG  . GLU A 1 60  ? 13.762  5.477   12.870 1.00 103.71 ? 60  GLU A CG  1 
ATOM   246 C CD  . GLU A 1 60  ? 14.812  5.440   11.760 1.00 114.45 ? 60  GLU A CD  1 
ATOM   247 O OE1 . GLU A 1 60  ? 14.488  5.839   10.617 1.00 111.55 ? 60  GLU A OE1 1 
ATOM   248 O OE2 . GLU A 1 60  ? 15.964  5.017   12.031 1.00 120.56 ? 60  GLU A OE2 1 
ATOM   249 N N   . LEU A 1 61  ? 10.290  8.633   13.256 1.00 96.32  ? 61  LEU A N   1 
ATOM   250 C CA  . LEU A 1 61  ? 9.820   10.006  13.103 1.00 98.38  ? 61  LEU A CA  1 
ATOM   251 C C   . LEU A 1 61  ? 9.183   10.560  14.373 1.00 100.70 ? 61  LEU A C   1 
ATOM   252 O O   . LEU A 1 61  ? 8.791   11.736  14.391 1.00 100.76 ? 61  LEU A O   1 
ATOM   253 C CB  . LEU A 1 61  ? 8.813   10.111  11.949 1.00 99.56  ? 61  LEU A CB  1 
ATOM   254 C CG  . LEU A 1 61  ? 9.130   9.720   10.494 1.00 104.89 ? 61  LEU A CG  1 
ATOM   255 C CD1 . LEU A 1 61  ? 8.380   10.632  9.517  1.00 106.53 ? 61  LEU A CD1 1 
ATOM   256 C CD2 . LEU A 1 61  ? 10.627  9.675   10.165 1.00 117.48 ? 61  LEU A CD2 1 
ATOM   257 N N   . LEU A 1 62  ? 9.089   9.753   15.442 1.00 100.97 ? 62  LEU A N   1 
ATOM   258 C CA  . LEU A 1 62  ? 8.268   10.091  16.611 1.00 101.63 ? 62  LEU A CA  1 
ATOM   259 C C   . LEU A 1 62  ? 8.938   11.150  17.507 1.00 99.06  ? 62  LEU A C   1 
ATOM   260 O O   . LEU A 1 62  ? 8.291   12.160  17.837 1.00 95.25  ? 62  LEU A O   1 
ATOM   261 C CB  . LEU A 1 62  ? 7.921   8.818   17.412 1.00 98.88  ? 62  LEU A CB  1 
ATOM   262 C CG  . LEU A 1 62  ? 6.726   8.825   18.383 1.00 94.59  ? 62  LEU A CG  1 
ATOM   263 C CD1 . LEU A 1 62  ? 5.472   9.269   17.676 1.00 90.53  ? 62  LEU A CD1 1 
ATOM   264 C CD2 . LEU A 1 62  ? 6.490   7.459   19.029 1.00 86.68  ? 62  LEU A CD2 1 
ATOM   265 N N   . PRO A 1 63  ? 10.213  10.987  17.919 1.00 100.90 ? 63  PRO A N   1 
ATOM   266 C CA  . PRO A 1 63  ? 10.852  12.081  18.693 1.00 100.74 ? 63  PRO A CA  1 
ATOM   267 C C   . PRO A 1 63  ? 11.076  13.335  17.873 1.00 96.67  ? 63  PRO A C   1 
ATOM   268 O O   . PRO A 1 63  ? 10.996  14.439  18.424 1.00 100.78 ? 63  PRO A O   1 
ATOM   269 C CB  . PRO A 1 63  ? 12.183  11.481  19.171 1.00 97.94  ? 63  PRO A CB  1 
ATOM   270 C CG  . PRO A 1 63  ? 12.105  10.005  18.884 1.00 98.44  ? 63  PRO A CG  1 
ATOM   271 C CD  . PRO A 1 63  ? 11.091  9.803   17.805 1.00 99.24  ? 63  PRO A CD  1 
ATOM   272 N N   . LYS A 1 64  ? 11.352  13.193  16.573 1.00 100.49 ? 64  LYS A N   1 
ATOM   273 C CA  . LYS A 1 64  ? 11.495  14.346  15.688 1.00 101.82 ? 64  LYS A CA  1 
ATOM   274 C C   . LYS A 1 64  ? 10.258  15.243  15.714 1.00 101.53 ? 64  LYS A C   1 
ATOM   275 O O   . LYS A 1 64  ? 10.349  16.448  15.444 1.00 102.39 ? 64  LYS A O   1 
ATOM   276 C CB  . LYS A 1 64  ? 11.736  13.872  14.247 1.00 105.41 ? 64  LYS A CB  1 
ATOM   277 C CG  . LYS A 1 64  ? 13.070  13.178  13.909 1.00 99.25  ? 64  LYS A CG  1 
ATOM   278 C CD  . LYS A 1 64  ? 13.073  12.898  12.389 1.00 106.98 ? 64  LYS A CD  1 
ATOM   279 C CE  . LYS A 1 64  ? 14.441  12.892  11.712 1.00 104.61 ? 64  LYS A CE  1 
ATOM   280 N NZ  . LYS A 1 64  ? 15.166  11.582  11.836 1.00 112.42 ? 64  LYS A NZ  1 
ATOM   281 N N   . GLY A 1 65  ? 9.097   14.676  16.017 1.00 104.96 ? 65  GLY A N   1 
ATOM   282 C CA  . GLY A 1 65  ? 7.848   15.348  15.736 1.00 100.40 ? 65  GLY A CA  1 
ATOM   283 C C   . GLY A 1 65  ? 7.494   16.438  16.721 1.00 100.59 ? 65  GLY A C   1 
ATOM   284 O O   . GLY A 1 65  ? 8.091   16.581  17.789 1.00 100.87 ? 65  GLY A O   1 
ATOM   285 N N   . SER A 1 66  ? 6.499   17.222  16.314 1.00 101.63 ? 66  SER A N   1 
ATOM   286 C CA  . SER A 1 66  ? 5.796   18.195  17.137 1.00 104.77 ? 66  SER A CA  1 
ATOM   287 C C   . SER A 1 66  ? 4.660   17.528  17.916 1.00 103.34 ? 66  SER A C   1 
ATOM   288 O O   . SER A 1 66  ? 4.321   16.363  17.691 1.00 105.11 ? 66  SER A O   1 
ATOM   289 C CB  . SER A 1 66  ? 5.235   19.314  16.254 1.00 105.17 ? 66  SER A CB  1 
ATOM   290 O OG  . SER A 1 66  ? 3.906   19.012  15.841 1.00 101.72 ? 66  SER A OG  1 
ATOM   291 N N   . LYS A 1 67  ? 4.062   18.299  18.837 1.00 106.00 ? 67  LYS A N   1 
ATOM   292 C CA  . LYS A 1 67  ? 2.904   17.845  19.608 1.00 105.36 ? 67  LYS A CA  1 
ATOM   293 C C   . LYS A 1 67  ? 1.858   17.198  18.708 1.00 102.11 ? 67  LYS A C   1 
ATOM   294 O O   . LYS A 1 67  ? 1.503   16.029  18.885 1.00 100.20 ? 67  LYS A O   1 
ATOM   295 C CB  . LYS A 1 67  ? 2.255   19.013  20.371 1.00 105.06 ? 67  LYS A CB  1 
ATOM   296 C CG  . LYS A 1 67  ? 0.761   18.771  20.687 1.00 108.12 ? 67  LYS A CG  1 
ATOM   297 C CD  . LYS A 1 67  ? -0.126  20.001  20.460 1.00 118.05 ? 67  LYS A CD  1 
ATOM   298 C CE  . LYS A 1 67  ? -1.605  19.597  20.382 1.00 112.02 ? 67  LYS A CE  1 
ATOM   299 N NZ  . LYS A 1 67  ? -2.554  20.735  20.566 1.00 122.18 ? 67  LYS A NZ  1 
ATOM   300 N N   . GLU A 1 68  ? 1.347   17.960  17.738 1.00 100.93 ? 68  GLU A N   1 
ATOM   301 C CA  . GLU A 1 68  ? 0.298   17.433  16.876 1.00 107.18 ? 68  GLU A CA  1 
ATOM   302 C C   . GLU A 1 68  ? 0.827   16.284  16.031 1.00 103.59 ? 68  GLU A C   1 
ATOM   303 O O   . GLU A 1 68  ? 0.149   15.265  15.857 1.00 102.39 ? 68  GLU A O   1 
ATOM   304 C CB  . GLU A 1 68  ? -0.265  18.534  15.984 1.00 111.69 ? 68  GLU A CB  1 
ATOM   305 C CG  . GLU A 1 68  ? -1.133  17.992  14.867 1.00 115.98 ? 68  GLU A CG  1 
ATOM   306 C CD  . GLU A 1 68  ? -1.713  19.083  14.004 1.00 127.76 ? 68  GLU A CD  1 
ATOM   307 O OE1 . GLU A 1 68  ? -1.077  20.155  13.896 1.00 128.97 ? 68  GLU A OE1 1 
ATOM   308 O OE2 . GLU A 1 68  ? -2.799  18.862  13.432 1.00 136.26 ? 68  GLU A OE2 1 
ATOM   309 N N   . GLU A 1 69  ? 2.053   16.426  15.512 1.00 102.14 ? 69  GLU A N   1 
ATOM   310 C CA  . GLU A 1 69  ? 2.633   15.368  14.691 1.00 100.88 ? 69  GLU A CA  1 
ATOM   311 C C   . GLU A 1 69  ? 2.766   14.069  15.481 1.00 99.84  ? 69  GLU A C   1 
ATOM   312 O O   . GLU A 1 69  ? 2.498   12.981  14.951 1.00 94.29  ? 69  GLU A O   1 
ATOM   313 C CB  . GLU A 1 69  ? 3.998   15.794  14.128 1.00 99.16  ? 69  GLU A CB  1 
ATOM   314 C CG  . GLU A 1 69  ? 3.924   16.794  12.961 1.00 104.85 ? 69  GLU A CG  1 
ATOM   315 C CD  . GLU A 1 69  ? 5.185   17.654  12.787 1.00 107.65 ? 69  GLU A CD  1 
ATOM   316 O OE1 . GLU A 1 69  ? 5.305   18.295  11.720 1.00 112.46 ? 69  GLU A OE1 1 
ATOM   317 O OE2 . GLU A 1 69  ? 6.076   17.657  13.673 1.00 105.06 ? 69  GLU A OE2 1 
ATOM   318 N N   . GLN A 1 70  ? 3.174   14.157  16.754 1.00 97.68  ? 70  GLN A N   1 
ATOM   319 C CA  . GLN A 1 70  ? 3.300   12.943  17.555 1.00 96.85  ? 70  GLN A CA  1 
ATOM   320 C C   . GLN A 1 70  ? 1.944   12.283  17.783 1.00 93.60  ? 70  GLN A C   1 
ATOM   321 O O   . GLN A 1 70  ? 1.851   11.047  17.832 1.00 85.45  ? 70  GLN A O   1 
ATOM   322 C CB  . GLN A 1 70  ? 3.987   13.228  18.893 1.00 96.02  ? 70  GLN A CB  1 
ATOM   323 C CG  . GLN A 1 70  ? 5.504   13.227  18.844 1.00 99.07  ? 70  GLN A CG  1 
ATOM   324 C CD  . GLN A 1 70  ? 6.126   14.185  19.846 1.00 105.30 ? 70  GLN A CD  1 
ATOM   325 O OE1 . GLN A 1 70  ? 6.492   15.314  19.512 1.00 108.29 ? 70  GLN A OE1 1 
ATOM   326 N NE2 . GLN A 1 70  ? 6.231   13.739  21.093 1.00 103.14 ? 70  GLN A NE2 1 
ATOM   327 N N   . ARG A 1 71  ? 0.881   13.088  17.917 1.00 90.13  ? 71  ARG A N   1 
ATOM   328 C CA  . ARG A 1 71  ? -0.458  12.535  18.116 1.00 85.35  ? 71  ARG A CA  1 
ATOM   329 C C   . ARG A 1 71  ? -0.928  11.769  16.889 1.00 82.76  ? 71  ARG A C   1 
ATOM   330 O O   . ARG A 1 71  ? -1.584  10.724  17.006 1.00 80.85  ? 71  ARG A O   1 
ATOM   331 C CB  . ARG A 1 71  ? -1.431  13.658  18.459 1.00 93.09  ? 71  ARG A CB  1 
ATOM   332 C CG  . ARG A 1 71  ? -1.552  13.874  19.944 1.00 98.92  ? 71  ARG A CG  1 
ATOM   333 C CD  . ARG A 1 71  ? -1.681  15.346  20.324 1.00 106.86 ? 71  ARG A CD  1 
ATOM   334 N NE  . ARG A 1 71  ? -1.369  15.522  21.739 1.00 114.34 ? 71  ARG A NE  1 
ATOM   335 C CZ  . ARG A 1 71  ? -2.218  15.985  22.649 1.00 114.30 ? 71  ARG A CZ  1 
ATOM   336 N NH1 . ARG A 1 71  ? -3.426  16.412  22.313 1.00 124.67 ? 71  ARG A NH1 1 
ATOM   337 N NH2 . ARG A 1 71  ? -1.848  16.015  23.928 1.00 112.71 ? 71  ARG A NH2 1 
ATOM   338 N N   . ASP A 1 72  ? -0.592  12.272  15.704 1.00 83.52  ? 72  ASP A N   1 
ATOM   339 C CA  . ASP A 1 72  ? -0.935  11.578  14.472 1.00 83.61  ? 72  ASP A CA  1 
ATOM   340 C C   . ASP A 1 72  ? -0.101  10.311  14.309 1.00 80.18  ? 72  ASP A C   1 
ATOM   341 O O   . ASP A 1 72  ? -0.649  9.229   14.055 1.00 80.52  ? 72  ASP A O   1 
ATOM   342 C CB  . ASP A 1 72  ? -0.730  12.519  13.286 1.00 81.54  ? 72  ASP A CB  1 
ATOM   343 C CG  . ASP A 1 72  ? -1.882  13.462  13.091 1.00 87.53  ? 72  ASP A CG  1 
ATOM   344 O OD1 . ASP A 1 72  ? -2.959  13.231  13.694 1.00 91.32  ? 72  ASP A OD1 1 
ATOM   345 O OD2 . ASP A 1 72  ? -1.693  14.461  12.358 1.00 99.29  ? 72  ASP A OD2 1 
ATOM   346 N N   . TYR A 1 73  ? 1.229   10.427  14.454 1.00 80.71  ? 73  TYR A N   1 
ATOM   347 C CA  . TYR A 1 73  ? 2.117   9.267   14.335 1.00 82.54  ? 73  TYR A CA  1 
ATOM   348 C C   . TYR A 1 73  ? 1.679   8.134   15.258 1.00 79.38  ? 73  TYR A C   1 
ATOM   349 O O   . TYR A 1 73  ? 1.634   6.967   14.845 1.00 72.43  ? 73  TYR A O   1 
ATOM   350 C CB  . TYR A 1 73  ? 3.575   9.637   14.656 1.00 78.74  ? 73  TYR A CB  1 
ATOM   351 C CG  . TYR A 1 73  ? 4.199   10.734  13.811 1.00 90.18  ? 73  TYR A CG  1 
ATOM   352 C CD1 . TYR A 1 73  ? 3.739   11.011  12.528 1.00 88.46  ? 73  TYR A CD1 1 
ATOM   353 C CD2 . TYR A 1 73  ? 5.277   11.480  14.297 1.00 96.56  ? 73  TYR A CD2 1 
ATOM   354 C CE1 . TYR A 1 73  ? 4.311   12.017  11.764 1.00 92.79  ? 73  TYR A CE1 1 
ATOM   355 C CE2 . TYR A 1 73  ? 5.862   12.481  13.537 1.00 97.21  ? 73  TYR A CE2 1 
ATOM   356 C CZ  . TYR A 1 73  ? 5.376   12.748  12.270 1.00 99.31  ? 73  TYR A CZ  1 
ATOM   357 O OH  . TYR A 1 73  ? 5.944   13.745  11.502 1.00 97.88  ? 73  TYR A OH  1 
ATOM   358 N N   . VAL A 1 74  ? 1.379   8.460   16.519 1.00 78.44  ? 74  VAL A N   1 
ATOM   359 C CA  . VAL A 1 74  ? 0.948   7.450   17.485 1.00 75.53  ? 74  VAL A CA  1 
ATOM   360 C C   . VAL A 1 74  ? -0.336  6.780   17.022 1.00 71.57  ? 74  VAL A C   1 
ATOM   361 O O   . VAL A 1 74  ? -0.457  5.546   17.061 1.00 70.08  ? 74  VAL A O   1 
ATOM   362 C CB  . VAL A 1 74  ? 0.789   8.077   18.881 1.00 78.08  ? 74  VAL A CB  1 
ATOM   363 C CG1 . VAL A 1 74  ? -0.105  7.217   19.759 1.00 62.73  ? 74  VAL A CG1 1 
ATOM   364 C CG2 . VAL A 1 74  ? 2.177   8.268   19.519 1.00 75.61  ? 74  VAL A CG2 1 
ATOM   365 N N   . PHE A 1 75  ? -1.313  7.575   16.585 1.00 67.49  ? 75  PHE A N   1 
ATOM   366 C CA  . PHE A 1 75  ? -2.532  6.993   16.038 1.00 70.74  ? 75  PHE A CA  1 
ATOM   367 C C   . PHE A 1 75  ? -2.202  5.984   14.940 1.00 70.13  ? 75  PHE A C   1 
ATOM   368 O O   . PHE A 1 75  ? -2.713  4.852   14.940 1.00 66.75  ? 75  PHE A O   1 
ATOM   369 C CB  . PHE A 1 75  ? -3.454  8.094   15.511 1.00 59.95  ? 75  PHE A CB  1 
ATOM   370 C CG  . PHE A 1 75  ? -4.680  7.577   14.790 1.00 59.11  ? 75  PHE A CG  1 
ATOM   371 C CD1 . PHE A 1 75  ? -4.641  7.295   13.420 1.00 57.95  ? 75  PHE A CD1 1 
ATOM   372 C CD2 . PHE A 1 75  ? -5.892  7.416   15.470 1.00 68.86  ? 75  PHE A CD2 1 
ATOM   373 C CE1 . PHE A 1 75  ? -5.786  6.840   12.742 1.00 66.59  ? 75  PHE A CE1 1 
ATOM   374 C CE2 . PHE A 1 75  ? -7.045  6.950   14.804 1.00 62.32  ? 75  PHE A CE2 1 
ATOM   375 C CZ  . PHE A 1 75  ? -6.993  6.667   13.437 1.00 60.95  ? 75  PHE A CZ  1 
ATOM   376 N N   . TYR A 1 76  ? -1.337  6.373   13.999 1.00 62.29  ? 76  TYR A N   1 
ATOM   377 C CA  . TYR A 1 76  ? -1.033  5.485   12.884 1.00 67.21  ? 76  TYR A CA  1 
ATOM   378 C C   . TYR A 1 76  ? -0.177  4.296   13.314 1.00 69.35  ? 76  TYR A C   1 
ATOM   379 O O   . TYR A 1 76  ? -0.274  3.216   12.703 1.00 67.60  ? 76  TYR A O   1 
ATOM   380 C CB  . TYR A 1 76  ? -0.376  6.282   11.755 1.00 67.47  ? 76  TYR A CB  1 
ATOM   381 C CG  . TYR A 1 76  ? -1.399  7.115   11.025 1.00 70.08  ? 76  TYR A CG  1 
ATOM   382 C CD1 . TYR A 1 76  ? -2.296  6.513   10.155 1.00 77.31  ? 76  TYR A CD1 1 
ATOM   383 C CD2 . TYR A 1 76  ? -1.530  8.478   11.255 1.00 67.88  ? 76  TYR A CD2 1 
ATOM   384 C CE1 . TYR A 1 76  ? -3.265  7.245   9.493  1.00 75.10  ? 76  TYR A CE1 1 
ATOM   385 C CE2 . TYR A 1 76  ? -2.513  9.222   10.602 1.00 68.30  ? 76  TYR A CE2 1 
ATOM   386 C CZ  . TYR A 1 76  ? -3.377  8.595   9.721  1.00 71.28  ? 76  TYR A CZ  1 
ATOM   387 O OH  . TYR A 1 76  ? -4.368  9.297   9.056  1.00 75.89  ? 76  TYR A OH  1 
ATOM   388 N N   . LEU A 1 77  ? 0.642   4.451   14.368 1.00 66.04  ? 77  LEU A N   1 
ATOM   389 C CA  . LEU A 1 77  ? 1.340   3.289   14.909 1.00 66.39  ? 77  LEU A CA  1 
ATOM   390 C C   . LEU A 1 77  ? 0.360   2.277   15.500 1.00 68.36  ? 77  LEU A C   1 
ATOM   391 O O   . LEU A 1 77  ? 0.583   1.062   15.407 1.00 66.72  ? 77  LEU A O   1 
ATOM   392 C CB  . LEU A 1 77  ? 2.379   3.681   15.962 1.00 66.95  ? 77  LEU A CB  1 
ATOM   393 C CG  . LEU A 1 77  ? 3.807   3.947   15.450 1.00 76.92  ? 77  LEU A CG  1 
ATOM   394 C CD1 . LEU A 1 77  ? 4.209   5.409   15.361 1.00 73.59  ? 77  LEU A CD1 1 
ATOM   395 C CD2 . LEU A 1 77  ? 4.812   3.152   16.213 1.00 81.85  ? 77  LEU A CD2 1 
ATOM   396 N N   . ALA A 1 78  ? -0.727  2.753   16.117 1.00 66.32  ? 78  ALA A N   1 
ATOM   397 C CA  . ALA A 1 78  ? -1.755  1.847   16.620 1.00 62.09  ? 78  ALA A CA  1 
ATOM   398 C C   . ALA A 1 78  ? -2.498  1.169   15.476 1.00 63.41  ? 78  ALA A C   1 
ATOM   399 O O   . ALA A 1 78  ? -2.846  -0.020  15.563 1.00 63.76  ? 78  ALA A O   1 
ATOM   400 C CB  . ALA A 1 78  ? -2.740  2.604   17.511 1.00 62.53  ? 78  ALA A CB  1 
ATOM   401 N N   . VAL A 1 79  ? -2.756  1.911   14.401 1.00 54.22  ? 79  VAL A N   1 
ATOM   402 C CA  . VAL A 1 79  ? -3.357  1.319   13.214 1.00 58.39  ? 79  VAL A CA  1 
ATOM   403 C C   . VAL A 1 79  ? -2.453  0.224   12.647 1.00 64.41  ? 79  VAL A C   1 
ATOM   404 O O   . VAL A 1 79  ? -2.909  -0.897  12.370 1.00 57.78  ? 79  VAL A O   1 
ATOM   405 C CB  . VAL A 1 79  ? -3.669  2.410   12.175 1.00 63.03  ? 79  VAL A CB  1 
ATOM   406 C CG1 . VAL A 1 79  ? -3.880  1.789   10.801 1.00 54.12  ? 79  VAL A CG1 1 
ATOM   407 C CG2 . VAL A 1 79  ? -4.923  3.232   12.605 1.00 66.11  ? 79  VAL A CG2 1 
ATOM   408 N N   . GLY A 1 80  ? -1.155  0.509   12.504 1.00 65.87  ? 80  GLY A N   1 
ATOM   409 C CA  . GLY A 1 80  ? -0.248  -0.484  11.928 1.00 68.46  ? 80  GLY A CA  1 
ATOM   410 C C   . GLY A 1 80  ? -0.072  -1.717  12.804 1.00 65.89  ? 80  GLY A C   1 
ATOM   411 O O   . GLY A 1 80  ? -0.117  -2.858  12.322 1.00 61.24  ? 80  GLY A O   1 
ATOM   412 N N   . ASN A 1 81  ? 0.123   -1.507  14.111 1.00 60.92  ? 81  ASN A N   1 
ATOM   413 C CA  . ASN A 1 81  ? 0.249   -2.645  15.019 1.00 71.09  ? 81  ASN A CA  1 
ATOM   414 C C   . ASN A 1 81  ? -1.026  -3.480  15.080 1.00 69.90  ? 81  ASN A C   1 
ATOM   415 O O   . ASN A 1 81  ? -0.953  -4.699  15.268 1.00 67.82  ? 81  ASN A O   1 
ATOM   416 C CB  . ASN A 1 81  ? 0.643   -2.150  16.408 1.00 72.07  ? 81  ASN A CB  1 
ATOM   417 C CG  . ASN A 1 81  ? 2.130   -2.059  16.566 1.00 72.45  ? 81  ASN A CG  1 
ATOM   418 O OD1 . ASN A 1 81  ? 2.673   -1.056  17.046 1.00 74.63  ? 81  ASN A OD1 1 
ATOM   419 N ND2 . ASN A 1 81  ? 2.815   -3.099  16.123 1.00 77.55  ? 81  ASN A ND2 1 
ATOM   420 N N   . TYR A 1 82  ? -2.193  -2.854  14.916 1.00 69.50  ? 82  TYR A N   1 
ATOM   421 C CA  . TYR A 1 82  ? -3.448  -3.602  14.901 1.00 66.62  ? 82  TYR A CA  1 
ATOM   422 C C   . TYR A 1 82  ? -3.572  -4.461  13.646 1.00 65.91  ? 82  TYR A C   1 
ATOM   423 O O   . TYR A 1 82  ? -4.095  -5.582  13.708 1.00 70.63  ? 82  TYR A O   1 
ATOM   424 C CB  . TYR A 1 82  ? -4.617  -2.615  15.011 1.00 68.14  ? 82  TYR A CB  1 
ATOM   425 C CG  . TYR A 1 82  ? -6.008  -3.088  14.626 1.00 68.48  ? 82  TYR A CG  1 
ATOM   426 C CD1 . TYR A 1 82  ? -6.826  -3.770  15.542 1.00 71.74  ? 82  TYR A CD1 1 
ATOM   427 C CD2 . TYR A 1 82  ? -6.536  -2.798  13.365 1.00 64.62  ? 82  TYR A CD2 1 
ATOM   428 C CE1 . TYR A 1 82  ? -8.122  -4.167  15.196 1.00 71.81  ? 82  TYR A CE1 1 
ATOM   429 C CE2 . TYR A 1 82  ? -7.823  -3.189  13.012 1.00 74.16  ? 82  TYR A CE2 1 
ATOM   430 C CZ  . TYR A 1 82  ? -8.617  -3.870  13.927 1.00 77.36  ? 82  TYR A CZ  1 
ATOM   431 O OH  . TYR A 1 82  ? -9.898  -4.249  13.558 1.00 70.48  ? 82  TYR A OH  1 
ATOM   432 N N   . ARG A 1 83  ? -3.120  -3.945  12.491 1.00 61.63  ? 83  ARG A N   1 
ATOM   433 C CA  . ARG A 1 83  ? -3.222  -4.679  11.230 1.00 68.64  ? 83  ARG A CA  1 
ATOM   434 C C   . ARG A 1 83  ? -2.249  -5.846  11.168 1.00 73.28  ? 83  ARG A C   1 
ATOM   435 O O   . ARG A 1 83  ? -2.334  -6.655  10.237 1.00 64.49  ? 83  ARG A O   1 
ATOM   436 C CB  . ARG A 1 83  ? -2.972  -3.749  10.036 1.00 63.53  ? 83  ARG A CB  1 
ATOM   437 C CG  . ARG A 1 83  ? -4.047  -2.700  9.834  1.00 66.00  ? 83  ARG A CG  1 
ATOM   438 C CD  . ARG A 1 83  ? -3.880  -2.003  8.493  1.00 67.61  ? 83  ARG A CD  1 
ATOM   439 N NE  . ARG A 1 83  ? -4.020  -2.960  7.397  1.00 70.07  ? 83  ARG A NE  1 
ATOM   440 C CZ  . ARG A 1 83  ? -3.249  -2.996  6.317  1.00 72.03  ? 83  ARG A CZ  1 
ATOM   441 N NH1 . ARG A 1 83  ? -2.231  -2.159  6.156  1.00 67.37  ? 83  ARG A NH1 1 
ATOM   442 N NH2 . ARG A 1 83  ? -3.514  -3.885  5.364  1.00 70.71  ? 83  ARG A NH2 1 
ATOM   443 N N   . LEU A 1 84  ? -1.329  -5.932  12.130 1.00 73.63  ? 84  LEU A N   1 
ATOM   444 C CA  . LEU A 1 84  ? -0.382  -7.025  12.267 1.00 71.11  ? 84  LEU A CA  1 
ATOM   445 C C   . LEU A 1 84  ? -0.729  -7.950  13.423 1.00 76.45  ? 84  LEU A C   1 
ATOM   446 O O   . LEU A 1 84  ? 0.139   -8.706  13.871 1.00 72.49  ? 84  LEU A O   1 
ATOM   447 C CB  . LEU A 1 84  ? 1.023   -6.478  12.479 1.00 75.83  ? 84  LEU A CB  1 
ATOM   448 C CG  . LEU A 1 84  ? 1.708   -5.708  11.360 1.00 77.25  ? 84  LEU A CG  1 
ATOM   449 C CD1 . LEU A 1 84  ? 2.989   -5.117  11.923 1.00 75.90  ? 84  LEU A CD1 1 
ATOM   450 C CD2 . LEU A 1 84  ? 1.979   -6.619  10.159 1.00 77.98  ? 84  LEU A CD2 1 
ATOM   451 N N   . LYS A 1 85  ? -1.967  -7.899  13.928 1.00 76.98  ? 85  LYS A N   1 
ATOM   452 C CA  . LYS A 1 85  ? -2.435  -8.658  15.090 1.00 79.30  ? 85  LYS A CA  1 
ATOM   453 C C   . LYS A 1 85  ? -1.573  -8.441  16.335 1.00 76.82  ? 85  LYS A C   1 
ATOM   454 O O   . LYS A 1 85  ? -1.735  -9.163  17.328 1.00 75.19  ? 85  LYS A O   1 
ATOM   455 C CB  . LYS A 1 85  ? -2.571  -10.169 14.797 1.00 76.64  ? 85  LYS A CB  1 
ATOM   456 C CG  . LYS A 1 85  ? -2.961  -10.543 13.350 1.00 78.69  ? 85  LYS A CG  1 
ATOM   457 C CD  . LYS A 1 85  ? -3.051  -12.091 13.168 1.00 86.55  ? 85  LYS A CD  1 
ATOM   458 C CE  . LYS A 1 85  ? -2.797  -12.593 11.724 1.00 83.09  ? 85  LYS A CE  1 
ATOM   459 N NZ  . LYS A 1 85  ? -1.416  -12.323 11.208 1.00 81.97  ? 85  LYS A NZ  1 
ATOM   460 N N   . GLU A 1 86  ? -0.677  -7.448  16.319 1.00 79.54  ? 86  GLU A N   1 
ATOM   461 C CA  . GLU A 1 86  ? 0.063   -7.027  17.511 1.00 81.41  ? 86  GLU A CA  1 
ATOM   462 C C   . GLU A 1 86  ? -0.839  -6.147  18.391 1.00 80.53  ? 86  GLU A C   1 
ATOM   463 O O   . GLU A 1 86  ? -0.626  -4.946  18.560 1.00 78.58  ? 86  GLU A O   1 
ATOM   464 C CB  . GLU A 1 86  ? 1.335   -6.289  17.108 1.00 74.61  ? 86  GLU A CB  1 
ATOM   465 C CG  . GLU A 1 86  ? 2.423   -7.144  16.497 1.00 87.55  ? 86  GLU A CG  1 
ATOM   466 C CD  . GLU A 1 86  ? 3.583   -7.387  17.457 1.00 102.15 ? 86  GLU A CD  1 
ATOM   467 O OE1 . GLU A 1 86  ? 4.755   -7.296  17.017 1.00 101.05 ? 86  GLU A OE1 1 
ATOM   468 O OE2 . GLU A 1 86  ? 3.318   -7.694  18.645 1.00 101.13 ? 86  GLU A OE2 1 
ATOM   469 N N   . TYR A 1 87  ? -1.883  -6.771  18.950 1.00 82.98  ? 87  TYR A N   1 
ATOM   470 C CA  . TYR A 1 87  ? -2.942  -5.993  19.594 1.00 79.59  ? 87  TYR A CA  1 
ATOM   471 C C   . TYR A 1 87  ? -2.484  -5.387  20.919 1.00 82.08  ? 87  TYR A C   1 
ATOM   472 O O   . TYR A 1 87  ? -2.993  -4.330  21.320 1.00 80.18  ? 87  TYR A O   1 
ATOM   473 C CB  . TYR A 1 87  ? -4.193  -6.860  19.777 1.00 77.85  ? 87  TYR A CB  1 
ATOM   474 C CG  . TYR A 1 87  ? -4.789  -7.379  18.467 1.00 78.54  ? 87  TYR A CG  1 
ATOM   475 C CD1 . TYR A 1 87  ? -4.997  -6.526  17.388 1.00 72.07  ? 87  TYR A CD1 1 
ATOM   476 C CD2 . TYR A 1 87  ? -5.116  -8.729  18.303 1.00 77.76  ? 87  TYR A CD2 1 
ATOM   477 C CE1 . TYR A 1 87  ? -5.544  -6.996  16.178 1.00 77.34  ? 87  TYR A CE1 1 
ATOM   478 C CE2 . TYR A 1 87  ? -5.664  -9.214  17.092 1.00 76.66  ? 87  TYR A CE2 1 
ATOM   479 C CZ  . TYR A 1 87  ? -5.877  -8.338  16.038 1.00 75.68  ? 87  TYR A CZ  1 
ATOM   480 O OH  . TYR A 1 87  ? -6.411  -8.787  14.840 1.00 72.63  ? 87  TYR A OH  1 
ATOM   481 N N   . GLU A 1 88  ? -1.532  -6.034  21.606 1.00 86.06  ? 88  GLU A N   1 
ATOM   482 C CA  . GLU A 1 88  ? -0.915  -5.456  22.806 1.00 91.01  ? 88  GLU A CA  1 
ATOM   483 C C   . GLU A 1 88  ? -0.325  -4.083  22.516 1.00 82.62  ? 88  GLU A C   1 
ATOM   484 O O   . GLU A 1 88  ? -0.737  -3.067  23.092 1.00 75.45  ? 88  GLU A O   1 
ATOM   485 C CB  . GLU A 1 88  ? 0.202   -6.370  23.331 1.00 96.97  ? 88  GLU A CB  1 
ATOM   486 C CG  . GLU A 1 88  ? -0.152  -7.425  24.379 1.00 105.46 ? 88  GLU A CG  1 
ATOM   487 C CD  . GLU A 1 88  ? -1.439  -8.181  24.095 1.00 113.02 ? 88  GLU A CD  1 
ATOM   488 O OE1 . GLU A 1 88  ? -1.449  -9.086  23.220 1.00 120.13 ? 88  GLU A OE1 1 
ATOM   489 O OE2 . GLU A 1 88  ? -2.428  -7.886  24.798 1.00 112.62 ? 88  GLU A OE2 1 
ATOM   490 N N   . LYS A 1 89  ? 0.690   -4.053  21.651 1.00 83.33  ? 89  LYS A N   1 
ATOM   491 C CA  . LYS A 1 89  ? 1.369   -2.811  21.329 1.00 84.51  ? 89  LYS A CA  1 
ATOM   492 C C   . LYS A 1 89  ? 0.396   -1.791  20.750 1.00 78.15  ? 89  LYS A C   1 
ATOM   493 O O   . LYS A 1 89  ? 0.513   -0.590  21.031 1.00 77.91  ? 89  LYS A O   1 
ATOM   494 C CB  . LYS A 1 89  ? 2.525   -3.119  20.370 1.00 85.63  ? 89  LYS A CB  1 
ATOM   495 C CG  . LYS A 1 89  ? 3.863   -2.467  20.726 1.00 87.62  ? 89  LYS A CG  1 
ATOM   496 C CD  . LYS A 1 89  ? 4.996   -3.171  19.968 1.00 93.37  ? 89  LYS A CD  1 
ATOM   497 C CE  . LYS A 1 89  ? 4.927   -4.694  20.215 1.00 94.83  ? 89  LYS A CE  1 
ATOM   498 N NZ  . LYS A 1 89  ? 6.015   -5.520  19.592 1.00 93.59  ? 89  LYS A NZ  1 
ATOM   499 N N   . ALA A 1 90  ? -0.597  -2.251  19.984 1.00 73.77  ? 90  ALA A N   1 
ATOM   500 C CA  . ALA A 1 90  ? -1.558  -1.327  19.389 1.00 76.65  ? 90  ALA A CA  1 
ATOM   501 C C   . ALA A 1 90  ? -2.389  -0.642  20.469 1.00 78.90  ? 90  ALA A C   1 
ATOM   502 O O   . ALA A 1 90  ? -2.574  0.582   20.434 1.00 73.90  ? 90  ALA A O   1 
ATOM   503 C CB  . ALA A 1 90  ? -2.451  -2.056  18.385 1.00 72.51  ? 90  ALA A CB  1 
ATOM   504 N N   . LEU A 1 91  ? -2.847  -1.409  21.467 1.00 74.08  ? 91  LEU A N   1 
ATOM   505 C CA  . LEU A 1 91  ? -3.563  -0.821  22.595 1.00 74.11  ? 91  LEU A CA  1 
ATOM   506 C C   . LEU A 1 91  ? -2.670  0.113   23.422 1.00 80.29  ? 91  LEU A C   1 
ATOM   507 O O   . LEU A 1 91  ? -3.143  1.148   23.916 1.00 80.48  ? 91  LEU A O   1 
ATOM   508 C CB  . LEU A 1 91  ? -4.166  -1.929  23.456 1.00 70.52  ? 91  LEU A CB  1 
ATOM   509 C CG  . LEU A 1 91  ? -5.453  -1.516  24.176 1.00 80.01  ? 91  LEU A CG  1 
ATOM   510 C CD1 . LEU A 1 91  ? -6.508  -0.999  23.209 1.00 75.17  ? 91  LEU A CD1 1 
ATOM   511 C CD2 . LEU A 1 91  ? -6.016  -2.713  24.894 1.00 81.76  ? 91  LEU A CD2 1 
ATOM   512 N N   . LYS A 1 92  ? -1.373  -0.206  23.558 1.00 76.08  ? 92  LYS A N   1 
ATOM   513 C CA  . LYS A 1 92  ? -0.471  0.665   24.316 1.00 79.54  ? 92  LYS A CA  1 
ATOM   514 C C   . LYS A 1 92  ? -0.451  2.073   23.735 1.00 76.08  ? 92  LYS A C   1 
ATOM   515 O O   . LYS A 1 92  ? -0.534  3.060   24.473 1.00 77.01  ? 92  LYS A O   1 
ATOM   516 C CB  . LYS A 1 92  ? 0.951   0.090   24.343 1.00 84.63  ? 92  LYS A CB  1 
ATOM   517 C CG  . LYS A 1 92  ? 1.377   -0.629  25.635 1.00 91.37  ? 92  LYS A CG  1 
ATOM   518 C CD  . LYS A 1 92  ? 1.780   0.314   26.775 1.00 102.98 ? 92  LYS A CD  1 
ATOM   519 C CE  . LYS A 1 92  ? 1.909   -0.440  28.111 1.00 107.80 ? 92  LYS A CE  1 
ATOM   520 N NZ  . LYS A 1 92  ? 2.685   0.325   29.141 1.00 104.35 ? 92  LYS A NZ  1 
ATOM   521 N N   . TYR A 1 93  ? -0.354  2.186   22.409 1.00 75.67  ? 93  TYR A N   1 
ATOM   522 C CA  . TYR A 1 93  ? -0.329  3.506   21.785 1.00 69.26  ? 93  TYR A CA  1 
ATOM   523 C C   . TYR A 1 93  ? -1.680  4.203   21.941 1.00 75.50  ? 93  TYR A C   1 
ATOM   524 O O   . TYR A 1 93  ? -1.751  5.340   22.433 1.00 78.41  ? 93  TYR A O   1 
ATOM   525 C CB  . TYR A 1 93  ? 0.046   3.387   20.300 1.00 63.55  ? 93  TYR A CB  1 
ATOM   526 C CG  . TYR A 1 93  ? 1.518   3.144   20.001 1.00 72.02  ? 93  TYR A CG  1 
ATOM   527 C CD1 . TYR A 1 93  ? 2.494   4.111   20.274 1.00 77.19  ? 93  TYR A CD1 1 
ATOM   528 C CD2 . TYR A 1 93  ? 1.940   1.934   19.449 1.00 68.39  ? 93  TYR A CD2 1 
ATOM   529 C CE1 . TYR A 1 93  ? 3.848   3.873   19.996 1.00 74.42  ? 93  TYR A CE1 1 
ATOM   530 C CE2 . TYR A 1 93  ? 3.285   1.693   19.168 1.00 73.91  ? 93  TYR A CE2 1 
ATOM   531 C CZ  . TYR A 1 93  ? 4.234   2.660   19.445 1.00 76.82  ? 93  TYR A CZ  1 
ATOM   532 O OH  . TYR A 1 93  ? 5.565   2.420   19.162 1.00 78.16  ? 93  TYR A OH  1 
ATOM   533 N N   . VAL A 1 94  ? -2.770  3.526   21.553 1.00 70.91  ? 94  VAL A N   1 
ATOM   534 C CA  . VAL A 1 94  ? -4.069  4.192   21.480 1.00 72.10  ? 94  VAL A CA  1 
ATOM   535 C C   . VAL A 1 94  ? -4.524  4.637   22.867 1.00 76.33  ? 94  VAL A C   1 
ATOM   536 O O   . VAL A 1 94  ? -5.283  5.604   22.995 1.00 77.07  ? 94  VAL A O   1 
ATOM   537 C CB  . VAL A 1 94  ? -5.128  3.289   20.797 1.00 69.50  ? 94  VAL A CB  1 
ATOM   538 C CG1 . VAL A 1 94  ? -5.595  2.187   21.714 1.00 68.89  ? 94  VAL A CG1 1 
ATOM   539 C CG2 . VAL A 1 94  ? -6.306  4.106   20.297 1.00 64.95  ? 94  VAL A CG2 1 
ATOM   540 N N   . ARG A 1 95  ? -4.068  3.958   23.927 1.00 77.66  ? 95  ARG A N   1 
ATOM   541 C CA  . ARG A 1 95  ? -4.357  4.445   25.274 1.00 79.69  ? 95  ARG A CA  1 
ATOM   542 C C   . ARG A 1 95  ? -3.439  5.607   25.652 1.00 82.10  ? 95  ARG A C   1 
ATOM   543 O O   . ARG A 1 95  ? -3.877  6.562   26.309 1.00 82.14  ? 95  ARG A O   1 
ATOM   544 C CB  . ARG A 1 95  ? -4.223  3.312   26.283 1.00 80.52  ? 95  ARG A CB  1 
ATOM   545 C CG  . ARG A 1 95  ? -5.160  2.154   26.019 1.00 85.51  ? 95  ARG A CG  1 
ATOM   546 C CD  . ARG A 1 95  ? -6.448  2.306   26.804 1.00 100.20 ? 95  ARG A CD  1 
ATOM   547 N NE  . ARG A 1 95  ? -7.158  1.045   27.016 1.00 103.13 ? 95  ARG A NE  1 
ATOM   548 C CZ  . ARG A 1 95  ? -6.638  -0.051  27.564 1.00 99.14  ? 95  ARG A CZ  1 
ATOM   549 N NH1 . ARG A 1 95  ? -5.383  -0.091  27.999 1.00 97.62  ? 95  ARG A NH1 1 
ATOM   550 N NH2 . ARG A 1 95  ? -7.406  -1.129  27.705 1.00 96.37  ? 95  ARG A NH2 1 
ATOM   551 N N   . GLY A 1 96  ? -2.160  5.537   25.258 1.00 74.99  ? 96  GLY A N   1 
ATOM   552 C CA  . GLY A 1 96  ? -1.265  6.665   25.473 1.00 80.29  ? 96  GLY A CA  1 
ATOM   553 C C   . GLY A 1 96  ? -1.797  7.954   24.868 1.00 82.44  ? 96  GLY A C   1 
ATOM   554 O O   . GLY A 1 96  ? -1.713  9.022   25.480 1.00 80.15  ? 96  GLY A O   1 
ATOM   555 N N   . LEU A 1 97  ? -2.361  7.867   23.659 1.00 80.54  ? 97  LEU A N   1 
ATOM   556 C CA  . LEU A 1 97  ? -3.013  9.004   23.015 1.00 74.45  ? 97  LEU A CA  1 
ATOM   557 C C   . LEU A 1 97  ? -4.313  9.382   23.727 1.00 79.71  ? 97  LEU A C   1 
ATOM   558 O O   . LEU A 1 97  ? -4.599  10.571  23.903 1.00 84.50  ? 97  LEU A O   1 
ATOM   559 C CB  . LEU A 1 97  ? -3.272  8.646   21.545 1.00 71.88  ? 97  LEU A CB  1 
ATOM   560 C CG  . LEU A 1 97  ? -4.147  9.405   20.531 1.00 77.45  ? 97  LEU A CG  1 
ATOM   561 C CD1 . LEU A 1 97  ? -3.942  10.925  20.549 1.00 79.53  ? 97  LEU A CD1 1 
ATOM   562 C CD2 . LEU A 1 97  ? -4.005  8.806   19.122 1.00 69.37  ? 97  LEU A CD2 1 
ATOM   563 N N   . LEU A 1 98  ? -5.108  8.392   24.146 1.00 80.22  ? 98  LEU A N   1 
ATOM   564 C CA  . LEU A 1 98  ? -6.384  8.642   24.811 1.00 79.60  ? 98  LEU A CA  1 
ATOM   565 C C   . LEU A 1 98  ? -6.222  9.272   26.184 1.00 82.51  ? 98  LEU A C   1 
ATOM   566 O O   . LEU A 1 98  ? -7.183  9.847   26.707 1.00 79.77  ? 98  LEU A O   1 
ATOM   567 C CB  . LEU A 1 98  ? -7.173  7.341   24.964 1.00 72.06  ? 98  LEU A CB  1 
ATOM   568 C CG  . LEU A 1 98  ? -7.960  6.923   23.729 1.00 71.56  ? 98  LEU A CG  1 
ATOM   569 C CD1 . LEU A 1 98  ? -8.527  5.524   23.932 1.00 71.16  ? 98  LEU A CD1 1 
ATOM   570 C CD2 . LEU A 1 98  ? -9.050  7.934   23.420 1.00 68.10  ? 98  LEU A CD2 1 
ATOM   571 N N   . GLN A 1 99  ? -5.052  9.136   26.805 1.00 86.73  ? 99  GLN A N   1 
ATOM   572 C CA  . GLN A 1 99  ? -4.869  9.796   28.085 1.00 89.74  ? 99  GLN A CA  1 
ATOM   573 C C   . GLN A 1 99  ? -4.730  11.297  27.890 1.00 89.76  ? 99  GLN A C   1 
ATOM   574 O O   . GLN A 1 99  ? -5.299  12.085  28.658 1.00 90.75  ? 99  GLN A O   1 
ATOM   575 C CB  . GLN A 1 99  ? -3.656  9.236   28.808 1.00 87.65  ? 99  GLN A CB  1 
ATOM   576 C CG  . GLN A 1 99  ? -2.898  10.328  29.533 1.00 96.56  ? 99  GLN A CG  1 
ATOM   577 C CD  . GLN A 1 99  ? -1.903  9.769   30.500 1.00 104.60 ? 99  GLN A CD  1 
ATOM   578 O OE1 . GLN A 1 99  ? -1.704  8.552   30.553 1.00 110.76 ? 99  GLN A OE1 1 
ATOM   579 N NE2 . GLN A 1 99  ? -1.274  10.641  31.281 1.00 101.79 ? 99  GLN A NE2 1 
ATOM   580 N N   . THR A 1 100 ? -4.003  11.710  26.844 1.00 87.85  ? 100 THR A N   1 
ATOM   581 C CA  . THR A 1 100 ? -3.873  13.132  26.526 1.00 90.79  ? 100 THR A CA  1 
ATOM   582 C C   . THR A 1 100 ? -5.130  13.680  25.842 1.00 91.12  ? 100 THR A C   1 
ATOM   583 O O   . THR A 1 100 ? -5.516  14.832  26.074 1.00 90.05  ? 100 THR A O   1 
ATOM   584 C CB  . THR A 1 100 ? -2.650  13.358  25.638 1.00 92.35  ? 100 THR A CB  1 
ATOM   585 O OG1 . THR A 1 100 ? -3.001  13.060  24.286 1.00 101.98 ? 100 THR A OG1 1 
ATOM   586 C CG2 . THR A 1 100 ? -1.503  12.433  26.046 1.00 89.58  ? 100 THR A CG2 1 
ATOM   587 N N   . GLU A 1 101 ? -5.797  12.868  25.013 1.00 92.29  ? 101 GLU A N   1 
ATOM   588 C CA  . GLU A 1 101 ? -6.975  13.288  24.251 1.00 83.95  ? 101 GLU A CA  1 
ATOM   589 C C   . GLU A 1 101 ? -8.158  12.391  24.597 1.00 78.38  ? 101 GLU A C   1 
ATOM   590 O O   . GLU A 1 101 ? -8.580  11.566  23.775 1.00 80.43  ? 101 GLU A O   1 
ATOM   591 C CB  . GLU A 1 101 ? -6.697  13.234  22.748 1.00 84.20  ? 101 GLU A CB  1 
ATOM   592 C CG  . GLU A 1 101 ? -5.572  14.149  22.275 1.00 94.42  ? 101 GLU A CG  1 
ATOM   593 C CD  . GLU A 1 101 ? -5.514  14.328  20.751 1.00 93.77  ? 101 GLU A CD  1 
ATOM   594 O OE1 . GLU A 1 101 ? -6.242  13.618  20.017 1.00 88.63  ? 101 GLU A OE1 1 
ATOM   595 O OE2 . GLU A 1 101 ? -4.716  15.169  20.287 1.00 87.79  ? 101 GLU A OE2 1 
ATOM   596 N N   . PRO A 1 102 ? -8.737  12.534  25.791 1.00 81.35  ? 102 PRO A N   1 
ATOM   597 C CA  . PRO A 1 102 ? -9.864  11.661  26.155 1.00 80.53  ? 102 PRO A CA  1 
ATOM   598 C C   . PRO A 1 102 ? -11.051 11.733  25.200 1.00 82.60  ? 102 PRO A C   1 
ATOM   599 O O   . PRO A 1 102 ? -11.856 10.794  25.174 1.00 84.17  ? 102 PRO A O   1 
ATOM   600 C CB  . PRO A 1 102 ? -10.251 12.161  27.553 1.00 82.17  ? 102 PRO A CB  1 
ATOM   601 C CG  . PRO A 1 102 ? -8.992  12.643  28.123 1.00 81.77  ? 102 PRO A CG  1 
ATOM   602 C CD  . PRO A 1 102 ? -8.239  13.275  26.964 1.00 84.31  ? 102 PRO A CD  1 
ATOM   603 N N   . GLN A 1 103 ? -11.202 12.797  24.411 1.00 80.50  ? 103 GLN A N   1 
ATOM   604 C CA  . GLN A 1 103 ? -12.389 12.922  23.572 1.00 79.29  ? 103 GLN A CA  1 
ATOM   605 C C   . GLN A 1 103 ? -12.116 12.745  22.084 1.00 77.48  ? 103 GLN A C   1 
ATOM   606 O O   . GLN A 1 103 ? -13.046 12.895  21.284 1.00 75.31  ? 103 GLN A O   1 
ATOM   607 C CB  . GLN A 1 103 ? -13.087 14.264  23.819 1.00 78.99  ? 103 GLN A CB  1 
ATOM   608 C CG  . GLN A 1 103 ? -13.863 14.290  25.127 1.00 84.95  ? 103 GLN A CG  1 
ATOM   609 C CD  . GLN A 1 103 ? -14.510 12.936  25.490 1.00 86.24  ? 103 GLN A CD  1 
ATOM   610 O OE1 . GLN A 1 103 ? -14.447 12.497  26.643 1.00 79.32  ? 103 GLN A OE1 1 
ATOM   611 N NE2 . GLN A 1 103 ? -15.196 12.315  24.523 1.00 89.71  ? 103 GLN A NE2 1 
ATOM   612 N N   . ASN A 1 104 ? -10.877 12.441  21.687 1.00 72.96  ? 104 ASN A N   1 
ATOM   613 C CA  . ASN A 1 104 ? -10.625 12.027  20.309 1.00 72.23  ? 104 ASN A CA  1 
ATOM   614 C C   . ASN A 1 104 ? -11.482 10.804  19.977 1.00 71.80  ? 104 ASN A C   1 
ATOM   615 O O   . ASN A 1 104 ? -11.223 9.705   20.471 1.00 70.17  ? 104 ASN A O   1 
ATOM   616 C CB  . ASN A 1 104 ? -9.133  11.736  20.111 1.00 74.05  ? 104 ASN A CB  1 
ATOM   617 C CG  . ASN A 1 104 ? -8.789  11.330  18.684 1.00 68.34  ? 104 ASN A CG  1 
ATOM   618 O OD1 . ASN A 1 104 ? -9.621  10.771  17.968 1.00 67.02  ? 104 ASN A OD1 1 
ATOM   619 N ND2 . ASN A 1 104 ? -7.550  11.606  18.267 1.00 70.38  ? 104 ASN A ND2 1 
ATOM   620 N N   . ASN A 1 105 ? -12.516 10.981  19.153 1.00 71.62  ? 105 ASN A N   1 
ATOM   621 C CA  . ASN A 1 105 ? -13.444 9.886   18.883 1.00 65.92  ? 105 ASN A CA  1 
ATOM   622 C C   . ASN A 1 105 ? -12.827 8.836   17.976 1.00 69.46  ? 105 ASN A C   1 
ATOM   623 O O   . ASN A 1 105 ? -13.210 7.656   18.036 1.00 60.25  ? 105 ASN A O   1 
ATOM   624 C CB  . ASN A 1 105 ? -14.714 10.438  18.262 1.00 67.82  ? 105 ASN A CB  1 
ATOM   625 C CG  . ASN A 1 105 ? -15.587 11.107  19.282 1.00 83.00  ? 105 ASN A CG  1 
ATOM   626 O OD1 . ASN A 1 105 ? -15.312 11.015  20.481 1.00 88.20  ? 105 ASN A OD1 1 
ATOM   627 N ND2 . ASN A 1 105 ? -16.579 11.866  18.825 1.00 92.74  ? 105 ASN A ND2 1 
ATOM   628 N N   . GLN A 1 106 ? -11.878 9.246   17.132 1.00 66.77  ? 106 GLN A N   1 
ATOM   629 C CA  . GLN A 1 106 ? -11.201 8.287   16.273 1.00 68.76  ? 106 GLN A CA  1 
ATOM   630 C C   . GLN A 1 106 ? -10.258 7.409   17.079 1.00 68.48  ? 106 GLN A C   1 
ATOM   631 O O   . GLN A 1 106 ? -10.153 6.205   16.817 1.00 65.90  ? 106 GLN A O   1 
ATOM   632 C CB  . GLN A 1 106 ? -10.454 9.001   15.149 1.00 62.71  ? 106 GLN A CB  1 
ATOM   633 C CG  . GLN A 1 106 ? -11.399 9.633   14.117 1.00 67.95  ? 106 GLN A CG  1 
ATOM   634 C CD  . GLN A 1 106 ? -12.168 10.809  14.698 1.00 65.76  ? 106 GLN A CD  1 
ATOM   635 O OE1 . GLN A 1 106 ? -11.605 11.617  15.463 1.00 61.10  ? 106 GLN A OE1 1 
ATOM   636 N NE2 . GLN A 1 106 ? -13.450 10.915  14.355 1.00 62.98  ? 106 GLN A NE2 1 
ATOM   637 N N   . ALA A 1 107 ? -9.590  7.976   18.086 1.00 62.88  ? 107 ALA A N   1 
ATOM   638 C CA  . ALA A 1 107 ? -8.811  7.134   18.990 1.00 66.86  ? 107 ALA A CA  1 
ATOM   639 C C   . ALA A 1 107 ? -9.721  6.202   19.791 1.00 71.11  ? 107 ALA A C   1 
ATOM   640 O O   . ALA A 1 107 ? -9.377  5.033   20.041 1.00 62.13  ? 107 ALA A O   1 
ATOM   641 C CB  . ALA A 1 107 ? -7.964  7.998   19.924 1.00 62.97  ? 107 ALA A CB  1 
ATOM   642 N N   . LYS A 1 108 ? -10.887 6.698   20.203 1.00 69.01  ? 108 LYS A N   1 
ATOM   643 C CA  . LYS A 1 108 ? -11.814 5.861   20.954 1.00 70.18  ? 108 LYS A CA  1 
ATOM   644 C C   . LYS A 1 108 ? -12.322 4.708   20.093 1.00 67.64  ? 108 LYS A C   1 
ATOM   645 O O   . LYS A 1 108 ? -12.424 3.567   20.560 1.00 66.46  ? 108 LYS A O   1 
ATOM   646 C CB  . LYS A 1 108 ? -12.963 6.728   21.463 1.00 72.48  ? 108 LYS A CB  1 
ATOM   647 C CG  . LYS A 1 108 ? -13.186 6.671   22.974 1.00 85.99  ? 108 LYS A CG  1 
ATOM   648 C CD  . LYS A 1 108 ? -13.710 8.021   23.481 1.00 95.68  ? 108 LYS A CD  1 
ATOM   649 C CE  . LYS A 1 108 ? -15.205 8.166   23.227 1.00 92.66  ? 108 LYS A CE  1 
ATOM   650 N NZ  . LYS A 1 108 ? -15.767 9.394   23.845 1.00 89.90  ? 108 LYS A NZ  1 
ATOM   651 N N   . GLU A 1 109 ? -12.628 4.990   18.825 1.00 64.87  ? 109 GLU A N   1 
ATOM   652 C CA  . GLU A 1 109 ? -13.104 3.957   17.918 1.00 67.93  ? 109 GLU A CA  1 
ATOM   653 C C   . GLU A 1 109 ? -12.012 2.930   17.627 1.00 68.96  ? 109 GLU A C   1 
ATOM   654 O O   . GLU A 1 109 ? -12.298 1.734   17.505 1.00 72.41  ? 109 GLU A O   1 
ATOM   655 C CB  . GLU A 1 109 ? -13.616 4.600   16.625 1.00 66.62  ? 109 GLU A CB  1 
ATOM   656 C CG  . GLU A 1 109 ? -14.041 3.628   15.517 1.00 68.36  ? 109 GLU A CG  1 
ATOM   657 C CD  . GLU A 1 109 ? -15.337 2.885   15.795 1.00 81.63  ? 109 GLU A CD  1 
ATOM   658 O OE1 . GLU A 1 109 ? -15.853 2.234   14.846 1.00 82.35  ? 109 GLU A OE1 1 
ATOM   659 O OE2 . GLU A 1 109 ? -15.865 2.981   16.931 1.00 81.14  ? 109 GLU A OE2 1 
ATOM   660 N N   . LEU A 1 110 ? -10.752 3.370   17.536 1.00 65.95  ? 110 LEU A N   1 
ATOM   661 C CA  . LEU A 1 110 ? -9.648  2.441   17.302 1.00 62.25  ? 110 LEU A CA  1 
ATOM   662 C C   . LEU A 1 110 ? -9.377  1.570   18.523 1.00 68.11  ? 110 LEU A C   1 
ATOM   663 O O   . LEU A 1 110 ? -9.006  0.404   18.377 1.00 61.44  ? 110 LEU A O   1 
ATOM   664 C CB  . LEU A 1 110 ? -8.373  3.198   16.921 1.00 64.39  ? 110 LEU A CB  1 
ATOM   665 C CG  . LEU A 1 110 ? -7.132  2.316   16.669 1.00 60.61  ? 110 LEU A CG  1 
ATOM   666 C CD1 . LEU A 1 110 ? -7.416  1.263   15.611 1.00 57.91  ? 110 LEU A CD1 1 
ATOM   667 C CD2 . LEU A 1 110 ? -5.949  3.141   16.273 1.00 61.02  ? 110 LEU A CD2 1 
ATOM   668 N N   . GLU A 1 111 ? -9.532  2.123   19.728 1.00 71.04  ? 111 GLU A N   1 
ATOM   669 C CA  . GLU A 1 111 ? -9.422  1.319   20.939 1.00 70.30  ? 111 GLU A CA  1 
ATOM   670 C C   . GLU A 1 111 ? -10.577 0.327   21.054 1.00 76.55  ? 111 GLU A C   1 
ATOM   671 O O   . GLU A 1 111 ? -10.387 -0.793  21.547 1.00 72.92  ? 111 GLU A O   1 
ATOM   672 C CB  . GLU A 1 111 ? -9.381  2.231   22.165 1.00 73.83  ? 111 GLU A CB  1 
ATOM   673 C CG  . GLU A 1 111 ? -9.719  1.553   23.478 1.00 79.60  ? 111 GLU A CG  1 
ATOM   674 C CD  . GLU A 1 111 ? -10.256 2.528   24.500 1.00 86.20  ? 111 GLU A CD  1 
ATOM   675 O OE1 . GLU A 1 111 ? -9.539  2.789   25.495 1.00 95.04  ? 111 GLU A OE1 1 
ATOM   676 O OE2 . GLU A 1 111 ? -11.383 3.042   24.296 1.00 84.04  ? 111 GLU A OE2 1 
ATOM   677 N N   . ARG A 1 112 ? -11.771 0.712   20.590 1.00 70.72  ? 112 ARG A N   1 
ATOM   678 C CA  . ARG A 1 112 ? -12.913 -0.198  20.629 1.00 74.01  ? 112 ARG A CA  1 
ATOM   679 C C   . ARG A 1 112 ? -12.779 -1.322  19.597 1.00 74.97  ? 112 ARG A C   1 
ATOM   680 O O   . ARG A 1 112 ? -13.316 -2.419  19.803 1.00 66.66  ? 112 ARG A O   1 
ATOM   681 C CB  . ARG A 1 112 ? -14.210 0.595   20.417 1.00 72.01  ? 112 ARG A CB  1 
ATOM   682 C CG  . ARG A 1 112 ? -15.483 -0.227  20.340 1.00 75.49  ? 112 ARG A CG  1 
ATOM   683 C CD  . ARG A 1 112 ? -16.643 0.590   19.764 1.00 81.25  ? 112 ARG A CD  1 
ATOM   684 N NE  . ARG A 1 112 ? -16.720 0.472   18.311 1.00 89.96  ? 112 ARG A NE  1 
ATOM   685 C CZ  . ARG A 1 112 ? -17.234 -0.565  17.659 1.00 93.91  ? 112 ARG A CZ  1 
ATOM   686 N NH1 . ARG A 1 112 ? -17.777 -1.591  18.298 1.00 98.56  ? 112 ARG A NH1 1 
ATOM   687 N NH2 . ARG A 1 112 ? -17.194 -0.582  16.328 1.00 93.26  ? 112 ARG A NH2 1 
ATOM   688 N N   . LEU A 1 113 ? -12.074 -1.067  18.486 1.00 70.00  ? 113 LEU A N   1 
ATOM   689 C CA  . LEU A 1 113 ? -11.781 -2.104  17.495 1.00 67.56  ? 113 LEU A CA  1 
ATOM   690 C C   . LEU A 1 113 ? -10.675 -3.045  17.969 1.00 68.95  ? 113 LEU A C   1 
ATOM   691 O O   . LEU A 1 113 ? -10.690 -4.237  17.639 1.00 62.77  ? 113 LEU A O   1 
ATOM   692 C CB  . LEU A 1 113 ? -11.388 -1.444  16.173 1.00 62.08  ? 113 LEU A CB  1 
ATOM   693 C CG  . LEU A 1 113 ? -12.463 -0.968  15.201 1.00 67.84  ? 113 LEU A CG  1 
ATOM   694 C CD1 . LEU A 1 113 ? -11.821 -0.262  13.997 1.00 63.01  ? 113 LEU A CD1 1 
ATOM   695 C CD2 . LEU A 1 113 ? -13.250 -2.169  14.724 1.00 58.77  ? 113 LEU A CD2 1 
ATOM   696 N N   . ILE A 1 114 ? -9.708  -2.531  18.735 1.00 67.18  ? 114 ILE A N   1 
ATOM   697 C CA  . ILE A 1 114 ? -8.662  -3.382  19.293 1.00 67.51  ? 114 ILE A CA  1 
ATOM   698 C C   . ILE A 1 114 ? -9.247  -4.278  20.383 1.00 73.19  ? 114 ILE A C   1 
ATOM   699 O O   . ILE A 1 114 ? -8.836  -5.436  20.544 1.00 74.99  ? 114 ILE A O   1 
ATOM   700 C CB  . ILE A 1 114 ? -7.493  -2.499  19.790 1.00 64.99  ? 114 ILE A CB  1 
ATOM   701 C CG1 . ILE A 1 114 ? -6.891  -1.704  18.622 1.00 69.37  ? 114 ILE A CG1 1 
ATOM   702 C CG2 . ILE A 1 114 ? -6.380  -3.313  20.411 1.00 69.30  ? 114 ILE A CG2 1 
ATOM   703 C CD1 . ILE A 1 114 ? -5.787  -0.750  19.018 1.00 63.58  ? 114 ILE A CD1 1 
ATOM   704 N N   . ASP A 1 115 ? -10.255 -3.797  21.106 1.00 72.75  ? 115 ASP A N   1 
ATOM   705 C CA  . ASP A 1 115 ? -10.864 -4.632  22.135 1.00 76.13  ? 115 ASP A CA  1 
ATOM   706 C C   . ASP A 1 115 ? -11.668 -5.791  21.534 1.00 75.75  ? 115 ASP A C   1 
ATOM   707 O O   . ASP A 1 115 ? -11.661 -6.904  22.077 1.00 73.02  ? 115 ASP A O   1 
ATOM   708 C CB  . ASP A 1 115 ? -11.741 -3.772  23.040 1.00 70.79  ? 115 ASP A CB  1 
ATOM   709 C CG  . ASP A 1 115 ? -10.924 -2.906  23.964 1.00 82.71  ? 115 ASP A CG  1 
ATOM   710 O OD1 . ASP A 1 115 ? -11.437 -1.850  24.424 1.00 94.54  ? 115 ASP A OD1 1 
ATOM   711 O OD2 . ASP A 1 115 ? -9.743  -3.262  24.188 1.00 85.81  ? 115 ASP A OD2 1 
ATOM   712 N N   . LYS A 1 116 ? -12.384 -5.548  20.430 1.00 69.97  ? 116 LYS A N   1 
ATOM   713 C CA  . LYS A 1 116 ? -13.148 -6.614  19.791 1.00 74.16  ? 116 LYS A CA  1 
ATOM   714 C C   . LYS A 1 116 ? -12.224 -7.694  19.233 1.00 74.21  ? 116 LYS A C   1 
ATOM   715 O O   . LYS A 1 116 ? -12.454 -8.892  19.439 1.00 69.58  ? 116 LYS A O   1 
ATOM   716 C CB  . LYS A 1 116 ? -14.035 -6.029  18.693 1.00 72.37  ? 116 LYS A CB  1 
ATOM   717 C CG  . LYS A 1 116 ? -15.420 -6.646  18.617 1.00 87.94  ? 116 LYS A CG  1 
ATOM   718 C CD  . LYS A 1 116 ? -16.309 -5.929  17.615 1.00 103.60 ? 116 LYS A CD  1 
ATOM   719 C CE  . LYS A 1 116 ? -17.063 -4.805  18.286 1.00 102.07 ? 116 LYS A CE  1 
ATOM   720 N NZ  . LYS A 1 116 ? -17.674 -5.285  19.555 1.00 106.81 ? 116 LYS A NZ  1 
ATOM   721 N N   . ALA A 1 117 ? -11.154 -7.291  18.553 1.00 71.23  ? 117 ALA A N   1 
ATOM   722 C CA  . ALA A 1 117 ? -10.206 -8.273  18.038 1.00 76.16  ? 117 ALA A CA  1 
ATOM   723 C C   . ALA A 1 117 ? -9.596  -9.116  19.166 1.00 76.78  ? 117 ALA A C   1 
ATOM   724 O O   . ALA A 1 117 ? -9.441  -10.337 19.023 1.00 73.08  ? 117 ALA A O   1 
ATOM   725 C CB  . ALA A 1 117 ? -9.118  -7.563  17.225 1.00 69.83  ? 117 ALA A CB  1 
ATOM   726 N N   . MET A 1 118 ? -9.255  -8.484  20.299 1.00 75.00  ? 118 MET A N   1 
ATOM   727 C CA  . MET A 1 118 ? -8.611  -9.202  21.396 1.00 72.75  ? 118 MET A CA  1 
ATOM   728 C C   . MET A 1 118 ? -9.561  -10.167 22.082 1.00 76.49  ? 118 MET A C   1 
ATOM   729 O O   . MET A 1 118 ? -9.141  -11.253 22.509 1.00 74.86  ? 118 MET A O   1 
ATOM   730 C CB  . MET A 1 118 ? -8.063  -8.222  22.416 1.00 64.72  ? 118 MET A CB  1 
ATOM   731 C CG  . MET A 1 118 ? -6.741  -7.625  22.036 1.00 77.09  ? 118 MET A CG  1 
ATOM   732 S SD  . MET A 1 118 ? -6.305  -6.353  23.244 1.00 85.83  ? 118 MET A SD  1 
ATOM   733 C CE  . MET A 1 118 ? -4.543  -6.445  23.271 1.00 87.12  ? 118 MET A CE  1 
ATOM   734 N N   . LYS A 1 119 ? -10.835 -9.785  22.228 1.00 73.41  ? 119 LYS A N   1 
ATOM   735 C CA  . LYS A 1 119 ? -11.752 -10.669 22.930 1.00 72.70  ? 119 LYS A CA  1 
ATOM   736 C C   . LYS A 1 119 ? -12.194 -11.832 22.042 1.00 75.01  ? 119 LYS A C   1 
ATOM   737 O O   . LYS A 1 119 ? -12.421 -12.945 22.546 1.00 77.97  ? 119 LYS A O   1 
ATOM   738 C CB  . LYS A 1 119 ? -12.971 -9.896  23.451 1.00 71.35  ? 119 LYS A CB  1 
ATOM   739 C CG  . LYS A 1 119 ? -14.333 -10.553 23.084 1.00 73.27  ? 119 LYS A CG  1 
ATOM   740 C CD  . LYS A 1 119 ? -15.492 -9.984  23.906 1.00 91.70  ? 119 LYS A CD  1 
ATOM   741 C CE  . LYS A 1 119 ? -16.834 -10.634 23.561 1.00 91.34  ? 119 LYS A CE  1 
ATOM   742 N NZ  . LYS A 1 119 ? -17.935 -10.172 24.474 1.00 94.72  ? 119 LYS A NZ  1 
ATOM   743 N N   . LYS A 1 120 ? -12.325 -11.599 20.731 1.00 65.86  ? 120 LYS A N   1 
ATOM   744 C CA  . LYS A 1 120 ? -12.540 -12.711 19.816 1.00 69.08  ? 120 LYS A CA  1 
ATOM   745 C C   . LYS A 1 120 ? -11.300 -13.601 19.727 1.00 73.56  ? 120 LYS A C   1 
ATOM   746 O O   . LYS A 1 120 ? -11.419 -14.836 19.701 1.00 68.39  ? 120 LYS A O   1 
ATOM   747 C CB  . LYS A 1 120 ? -12.936 -12.186 18.445 1.00 62.29  ? 120 LYS A CB  1 
ATOM   748 C CG  . LYS A 1 120 ? -14.339 -11.632 18.374 1.00 57.12  ? 120 LYS A CG  1 
ATOM   749 C CD  . LYS A 1 120 ? -14.637 -11.307 16.923 1.00 61.63  ? 120 LYS A CD  1 
ATOM   750 C CE  . LYS A 1 120 ? -16.071 -10.895 16.678 1.00 60.23  ? 120 LYS A CE  1 
ATOM   751 N NZ  . LYS A 1 120 ? -16.285 -9.508  17.139 1.00 79.70  ? 120 LYS A NZ  1 
ATOM   752 N N   . ASP A 1 121 ? -10.100 -12.997 19.692 1.00 69.84  ? 121 ASP A N   1 
ATOM   753 C CA  . ASP A 1 121 ? -8.867  -13.787 19.664 1.00 69.66  ? 121 ASP A CA  1 
ATOM   754 C C   . ASP A 1 121 ? -8.720  -14.636 20.916 1.00 76.43  ? 121 ASP A C   1 
ATOM   755 O O   . ASP A 1 121 ? -8.302  -15.800 20.838 1.00 73.78  ? 121 ASP A O   1 
ATOM   756 C CB  . ASP A 1 121 ? -7.642  -12.886 19.504 1.00 73.93  ? 121 ASP A CB  1 
ATOM   757 C CG  . ASP A 1 121 ? -6.982  -13.034 18.138 1.00 77.71  ? 121 ASP A CG  1 
ATOM   758 O OD1 . ASP A 1 121 ? -5.772  -12.718 18.008 1.00 77.58  ? 121 ASP A OD1 1 
ATOM   759 O OD2 . ASP A 1 121 ? -7.673  -13.498 17.200 1.00 76.41  ? 121 ASP A OD2 1 
ATOM   760 N N   . GLY A 1 122 ? -9.046  -14.062 22.082 1.00 75.79  ? 122 GLY A N   1 
ATOM   761 C CA  . GLY A 1 122 ? -8.970  -14.804 23.330 1.00 75.13  ? 122 GLY A CA  1 
ATOM   762 C C   . GLY A 1 122 ? -9.990  -15.921 23.417 1.00 76.11  ? 122 GLY A C   1 
ATOM   763 O O   . GLY A 1 122 ? -9.734  -16.956 24.044 1.00 74.24  ? 122 GLY A O   1 
ATOM   764 N N   . LEU A 1 123 ? -11.151 -15.738 22.790 1.00 72.07  ? 123 LEU A N   1 
ATOM   765 C CA  . LEU A 1 123 ? -12.118 -16.826 22.712 1.00 74.76  ? 123 LEU A CA  1 
ATOM   766 C C   . LEU A 1 123 ? -11.594 -17.959 21.836 1.00 75.93  ? 123 LEU A C   1 
ATOM   767 O O   . LEU A 1 123 ? -11.705 -19.137 22.193 1.00 72.63  ? 123 LEU A O   1 
ATOM   768 C CB  . LEU A 1 123 ? -13.434 -16.301 22.168 1.00 74.72  ? 123 LEU A CB  1 
ATOM   769 C CG  . LEU A 1 123 ? -14.422 -17.373 21.732 1.00 80.98  ? 123 LEU A CG  1 
ATOM   770 C CD1 . LEU A 1 123 ? -15.309 -17.699 22.926 1.00 84.43  ? 123 LEU A CD1 1 
ATOM   771 C CD2 . LEU A 1 123 ? -15.248 -16.910 20.533 1.00 80.13  ? 123 LEU A CD2 1 
ATOM   772 N N   . LEU A 1 124 ? -11.003 -17.615 20.687 1.00 71.98  ? 124 LEU A N   1 
ATOM   773 C CA  . LEU A 1 124 ? -10.502 -18.630 19.768 1.00 71.28  ? 124 LEU A CA  1 
ATOM   774 C C   . LEU A 1 124 ? -9.350  -19.423 20.387 1.00 77.29  ? 124 LEU A C   1 
ATOM   775 O O   . LEU A 1 124 ? -9.280  -20.645 20.222 1.00 76.87  ? 124 LEU A O   1 
ATOM   776 C CB  . LEU A 1 124 ? -10.071 -17.967 18.457 1.00 72.71  ? 124 LEU A CB  1 
ATOM   777 C CG  . LEU A 1 124 ? -11.166 -17.325 17.591 1.00 70.80  ? 124 LEU A CG  1 
ATOM   778 C CD1 . LEU A 1 124 ? -10.581 -16.753 16.305 1.00 67.08  ? 124 LEU A CD1 1 
ATOM   779 C CD2 . LEU A 1 124 ? -12.268 -18.322 17.259 1.00 58.69  ? 124 LEU A CD2 1 
ATOM   780 N N   . GLU A 1 125 ? -8.460  -18.754 21.135 1.00 77.53  ? 125 GLU A N   1 
ATOM   781 C CA  . GLU A 1 125 ? -7.316  -19.431 21.759 1.00 80.20  ? 125 GLU A CA  1 
ATOM   782 C C   . GLU A 1 125 ? -7.737  -20.618 22.635 1.00 79.75  ? 125 GLU A C   1 
ATOM   783 O O   . GLU A 1 125 ? -7.045  -21.647 22.675 1.00 82.94  ? 125 GLU A O   1 
ATOM   784 C CB  . GLU A 1 125 ? -6.537  -18.446 22.630 1.00 74.58  ? 125 GLU A CB  1 
ATOM   785 C CG  . GLU A 1 125 ? -5.534  -17.545 21.944 1.00 84.21  ? 125 GLU A CG  1 
ATOM   786 C CD  . GLU A 1 125 ? -5.338  -16.276 22.783 1.00 97.42  ? 125 GLU A CD  1 
ATOM   787 O OE1 . GLU A 1 125 ? -5.234  -16.434 24.029 1.00 95.37  ? 125 GLU A OE1 1 
ATOM   788 O OE2 . GLU A 1 125 ? -5.340  -15.139 22.225 1.00 89.93  ? 125 GLU A OE2 1 
ATOM   789 N N   . VAL A 1 126 ? -8.831  -20.471 23.385 1.00 75.34  ? 126 VAL A N   1 
ATOM   790 C CA  . VAL A 1 126 ? -9.223  -21.433 24.417 1.00 80.44  ? 126 VAL A CA  1 
ATOM   791 C C   . VAL A 1 126 ? -10.393 -22.311 23.956 1.00 77.07  ? 126 VAL A C   1 
ATOM   792 O O   . VAL A 1 126 ? -11.095 -22.901 24.781 1.00 77.76  ? 126 VAL A O   1 
ATOM   793 C CB  . VAL A 1 126 ? -9.541  -20.727 25.749 1.00 81.66  ? 126 VAL A CB  1 
ATOM   794 C CG1 . VAL A 1 126 ? -8.325  -19.901 26.210 1.00 66.21  ? 126 VAL A CG1 1 
ATOM   795 C CG2 . VAL A 1 126 ? -10.833 -19.874 25.642 1.00 66.37  ? 126 VAL A CG2 1 
ATOM   796 N N   . LEU A 1 127 ? -10.601 -22.418 22.643 1.00 70.34  ? 127 LEU A N   1 
ATOM   797 C CA  . LEU A 1 127 ? -11.721 -23.187 22.127 1.00 71.35  ? 127 LEU A CA  1 
ATOM   798 C C   . LEU A 1 127 ? -11.519 -24.685 22.344 1.00 82.85  ? 127 LEU A C   1 
ATOM   799 O O   . LEU A 1 127 ? -12.503 -25.435 22.478 1.00 79.88  ? 127 LEU A O   1 
ATOM   800 C CB  . LEU A 1 127 ? -11.923 -22.844 20.650 1.00 69.68  ? 127 LEU A CB  1 
ATOM   801 C CG  . LEU A 1 127 ? -13.346 -22.520 20.183 1.00 75.24  ? 127 LEU A CG  1 
ATOM   802 C CD1 . LEU A 1 127 ? -14.200 -21.937 21.316 1.00 70.28  ? 127 LEU A CD1 1 
ATOM   803 C CD2 . LEU A 1 127 ? -13.288 -21.537 19.009 1.00 69.41  ? 127 LEU A CD2 1 
ATOM   804 N N   . PHE A 1 128 ? -10.268 -25.143 22.403 1.00 80.53  ? 128 PHE A N   1 
ATOM   805 C CA  . PHE A 1 128 ? -9.996  -26.542 22.711 1.00 87.09  ? 128 PHE A CA  1 
ATOM   806 C C   . PHE A 1 128 ? -9.842  -26.788 24.203 1.00 87.02  ? 128 PHE A C   1 
ATOM   807 O O   . PHE A 1 128 ? -9.420  -27.883 24.600 1.00 85.69  ? 128 PHE A O   1 
ATOM   808 C CB  . PHE A 1 128 ? -8.751  -27.015 21.966 1.00 90.35  ? 128 PHE A CB  1 
ATOM   809 C CG  . PHE A 1 128 ? -8.932  -27.083 20.481 1.00 91.01  ? 128 PHE A CG  1 
ATOM   810 C CD1 . PHE A 1 128 ? -10.037 -27.744 19.935 1.00 84.00  ? 128 PHE A CD1 1 
ATOM   811 C CD2 . PHE A 1 128 ? -8.006  -26.480 19.625 1.00 86.60  ? 128 PHE A CD2 1 
ATOM   812 C CE1 . PHE A 1 128 ? -10.216 -27.820 18.554 1.00 85.77  ? 128 PHE A CE1 1 
ATOM   813 C CE2 . PHE A 1 128 ? -8.174  -26.535 18.246 1.00 90.90  ? 128 PHE A CE2 1 
ATOM   814 C CZ  . PHE A 1 128 ? -9.283  -27.209 17.704 1.00 94.76  ? 128 PHE A CZ  1 
ATOM   815 N N   . GLN A 1 129 ? -10.241 -25.816 25.022 1.00 81.79  ? 129 GLN A N   1 
ATOM   816 C CA  . GLN A 1 129 ? -9.901  -25.754 26.437 1.00 85.79  ? 129 GLN A CA  1 
ATOM   817 C C   . GLN A 1 129 ? -8.390  -25.838 26.617 1.00 87.88  ? 129 GLN A C   1 
ATOM   818 O O   . GLN A 1 129 ? -7.680  -24.873 26.305 1.00 88.54  ? 129 GLN A O   1 
ATOM   819 C CB  . GLN A 1 129 ? -10.628 -26.842 27.228 1.00 84.12  ? 129 GLN A CB  1 
ATOM   820 C CG  . GLN A 1 129 ? -12.009 -26.398 27.654 1.00 87.04  ? 129 GLN A CG  1 
ATOM   821 C CD  . GLN A 1 129 ? -11.980 -25.097 28.497 1.00 103.24 ? 129 GLN A CD  1 
ATOM   822 O OE1 . GLN A 1 129 ? -12.031 -23.979 27.956 1.00 102.36 ? 129 GLN A OE1 1 
ATOM   823 N NE2 . GLN A 1 129 ? -11.929 -25.248 29.824 1.00 104.16 ? 129 GLN A NE2 1 
HETATM 824 O O   . HOH B 2 .   ? 5.143   -0.968  17.536 1.00 76.51  ? 201 HOH A O   1 
HETATM 825 O O   . HOH B 2 .   ? -11.614 -5.461  15.594 1.00 65.76  ? 202 HOH A O   1 
HETATM 826 O O   . HOH B 2 .   ? -0.301  -2.609  -0.550 1.00 66.82  ? 203 HOH A O   1 
HETATM 827 O O   . HOH B 2 .   ? -0.085  -9.090  20.877 1.00 91.86  ? 204 HOH A O   1 
HETATM 828 O O   . HOH B 2 .   ? -6.098  -4.835  7.447  1.00 72.07  ? 205 HOH A O   1 
HETATM 829 O O   . HOH B 2 .   ? -9.777  -0.446  26.355 1.00 94.69  ? 206 HOH A O   1 
HETATM 830 O O   . HOH B 2 .   ? -13.215 13.127  17.435 1.00 70.98  ? 207 HOH A O   1 
HETATM 831 O O   . HOH B 2 .   ? -6.202  -11.152 21.959 1.00 69.35  ? 208 HOH A O   1 
HETATM 832 O O   . HOH B 2 .   ? -5.714  14.015  17.065 1.00 80.20  ? 209 HOH A O   1 
HETATM 833 O O   . HOH B 2 .   ? -8.580  4.803   27.564 1.00 95.21  ? 210 HOH A O   1 
HETATM 834 O O   . HOH B 2 .   ? -7.668  -16.603 26.272 1.00 73.88  ? 211 HOH A O   1 
HETATM 835 O O   . HOH B 2 .   ? 13.771  9.249   10.262 1.00 89.76  ? 212 HOH A O   1 
HETATM 836 O O   . HOH B 2 .   ? 0.506   0.517   0.004  0.50 72.02  ? 213 HOH A O   1 
HETATM 837 O O   . HOH B 2 .   ? -8.948  5.585   0.981  1.00 86.82  ? 214 HOH A O   1 
HETATM 838 O O   . HOH B 2 .   ? -4.915  -14.269 15.194 1.00 75.56  ? 215 HOH A O   1 
HETATM 839 O O   . HOH B 2 .   ? -8.627  5.556   3.554  1.00 77.35  ? 216 HOH A O   1 
HETATM 840 O O   . HOH B 2 .   ? 18.267  10.205  10.591 1.00 83.63  ? 217 HOH A O   1 
HETATM 841 O O   . HOH B 2 .   ? -8.695  8.696   29.952 0.50 83.68  ? 218 HOH A O   1 
HETATM 842 O O   . HOH B 2 .   ? -6.914  9.506   31.402 1.00 89.79  ? 219 HOH A O   1 
# 
