data_9HGS
# 
_entry.id   9HGS 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.401 
_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   9HGS         pdb_00009hgs 10.2210/pdb9hgs/pdb 
WWPDB D_1292143281 ?            ?                   
EMDB  EMD-52166    ?            ?                   
# 
_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       2025-01-29 
# 
_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                  ? 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9HGS 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-20 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_database_related.db_name        EMDB 
_pdbx_database_related.details        'In vitro grown G14R Alpha-Synuclein Fibrils' 
_pdbx_database_related.db_id          EMD-52166 
_pdbx_database_related.content_type   'associated EM volume' 
# 
loop_
_pdbx_contact_author.id 
_pdbx_contact_author.email 
_pdbx_contact_author.name_first 
_pdbx_contact_author.name_last 
_pdbx_contact_author.name_mi 
_pdbx_contact_author.role 
_pdbx_contact_author.identifier_ORCID 
3 tiago.outeiro@med.uni-goettingen.de             Tiago Outeiro              ? 'principal investigator/group leader' 
0000-0003-1679-1727 
4 ruben.fernandezbusnadiego@med.uni-goettingen.de Ruben Fernandez-Busnadiego ? 'principal investigator/group leader' 
0000-0002-8366-7622 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Sicking, K.'              1 0000-0001-8828-835X 
'Fernandez-Busnadiego, R.' 2 0000-0002-8366-7622 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Medrxiv 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           0000-0000 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'A novel alpha-synuclein G14R missense variant is associated with atypical neuropathological features.' 
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1101/2024.09.23.24313864 
_citation.pdbx_database_id_PubMed   39399048 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Brucke, C.'         1  ?                   
primary 'Al-Azzani, M.'      2  0000-0003-2864-0854 
primary 'Ramalingam, N.'     3  ?                   
primary 'Ramon, M.'          4  ?                   
primary 'Sousa, R.L.'        5  ?                   
primary 'Buratti, F.'        6  ?                   
primary 'Zech, M.'           7  ?                   
primary 'Sicking, K.'        8  ?                   
primary 'Amaral, L.'         9  ?                   
primary 'Gelpi, E.'          10 ?                   
primary 'Chandran, A.'       11 ?                   
primary 'Agarwal, A.'        12 ?                   
primary 'Chaves, S.R.'       13 0000-0002-6004-9872 
primary 'Fernandez, C.O.'    14 ?                   
primary 'Dettmer, U.'        15 ?                   
primary 'Lautenschlager, J.' 16 ?                   
primary 'Zweckstetter, M.'   17 ?                   
primary 'Busnadiego, R.F.'   18 0000-0002-8366-7622 
primary 'Zimprich, A.'       19 ?                   
primary 'Outeiro, T.F.'      20 ?                   
# 
_entity.id                         1 
_entity.type                       polymer 
_entity.src_method                 man 
_entity.pdbx_description           Alpha-synuclein 
_entity.formula_weight             14576.251 
_entity.pdbx_number_of_molecules   1 
_entity.pdbx_ec                    ? 
_entity.pdbx_mutation              ? 
_entity.pdbx_fragment              ? 
_entity.details                    ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Non-A beta component of AD amyloid,Non-A4 component of amyloid precursor,NACP' 
# 
_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       
;MDVFMKGLSKAKERVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQK
TVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MDVFMKGLSKAKERVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQK
TVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA
;
_entity_poly.pdbx_strand_id                 C 
_entity_poly.pdbx_target_identifier         ? 
# 
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   ASP n 
1 3   VAL n 
1 4   PHE n 
1 5   MET n 
1 6   LYS n 
1 7   GLY n 
1 8   LEU n 
1 9   SER n 
1 10  LYS n 
1 11  ALA n 
1 12  LYS n 
1 13  GLU n 
1 14  ARG n 
1 15  VAL n 
1 16  VAL n 
1 17  ALA n 
1 18  ALA n 
1 19  ALA n 
1 20  GLU n 
1 21  LYS n 
1 22  THR n 
1 23  LYS n 
1 24  GLN n 
1 25  GLY n 
1 26  VAL n 
1 27  ALA n 
1 28  GLU n 
1 29  ALA n 
1 30  ALA n 
1 31  GLY n 
1 32  LYS n 
1 33  THR n 
1 34  LYS n 
1 35  GLU n 
1 36  GLY n 
1 37  VAL n 
1 38  LEU n 
1 39  TYR n 
1 40  VAL n 
1 41  GLY n 
1 42  SER n 
1 43  LYS n 
1 44  THR n 
1 45  LYS n 
1 46  GLU n 
1 47  GLY n 
1 48  VAL n 
1 49  VAL n 
1 50  HIS n 
1 51  GLY n 
1 52  VAL n 
1 53  ALA n 
1 54  THR n 
1 55  VAL n 
1 56  ALA n 
1 57  GLU n 
1 58  LYS n 
1 59  THR n 
1 60  LYS n 
1 61  GLU n 
1 62  GLN n 
1 63  VAL n 
1 64  THR n 
1 65  ASN n 
1 66  VAL n 
1 67  GLY n 
1 68  GLY n 
1 69  ALA n 
1 70  VAL n 
1 71  VAL n 
1 72  THR n 
1 73  GLY n 
1 74  VAL n 
1 75  THR n 
1 76  ALA n 
1 77  VAL n 
1 78  ALA n 
1 79  GLN n 
1 80  LYS n 
1 81  THR n 
1 82  VAL n 
1 83  GLU n 
1 84  GLY n 
1 85  ALA n 
1 86  GLY n 
1 87  SER n 
1 88  ILE n 
1 89  ALA n 
1 90  ALA n 
1 91  ALA n 
1 92  THR n 
1 93  GLY n 
1 94  PHE n 
1 95  VAL n 
1 96  LYS n 
1 97  LYS n 
1 98  ASP n 
1 99  GLN n 
1 100 LEU n 
1 101 GLY n 
1 102 LYS n 
1 103 ASN n 
1 104 GLU n 
1 105 GLU n 
1 106 GLY n 
1 107 ALA n 
1 108 PRO n 
1 109 GLN n 
1 110 GLU n 
1 111 GLY n 
1 112 ILE n 
1 113 LEU n 
1 114 GLU n 
1 115 ASP n 
1 116 MET n 
1 117 PRO n 
1 118 VAL n 
1 119 ASP n 
1 120 PRO n 
1 121 ASP n 
1 122 ASN n 
1 123 GLU n 
1 124 ALA n 
1 125 TYR n 
1 126 GLU n 
1 127 MET n 
1 128 PRO n 
1 129 SER n 
1 130 GLU n 
1 131 GLU n 
1 132 GLY n 
1 133 TYR n 
1 134 GLN n 
1 135 ASP n 
1 136 TYR n 
1 137 GLU n 
1 138 PRO n 
1 139 GLU n 
1 140 ALA 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                   140 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'SNCA, NACP, PARK1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
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 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
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 
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   ?   ?   ?   C . n 
A 1 2   ASP 2   2   ?   ?   ?   C . n 
A 1 3   VAL 3   3   ?   ?   ?   C . n 
A 1 4   PHE 4   4   ?   ?   ?   C . n 
A 1 5   MET 5   5   ?   ?   ?   C . n 
A 1 6   LYS 6   6   ?   ?   ?   C . n 
A 1 7   GLY 7   7   ?   ?   ?   C . n 
A 1 8   LEU 8   8   ?   ?   ?   C . n 
A 1 9   SER 9   9   ?   ?   ?   C . n 
A 1 10  LYS 10  10  ?   ?   ?   C . n 
A 1 11  ALA 11  11  ?   ?   ?   C . n 
A 1 12  LYS 12  12  12  LYS LYS C . n 
A 1 13  GLU 13  13  13  GLU GLU C . n 
A 1 14  ARG 14  14  14  ARG ARG C . n 
A 1 15  VAL 15  15  15  VAL VAL C . n 
A 1 16  VAL 16  16  16  VAL VAL C . n 
A 1 17  ALA 17  17  17  ALA ALA C . n 
A 1 18  ALA 18  18  18  ALA ALA C . n 
A 1 19  ALA 19  19  19  ALA ALA C . n 
A 1 20  GLU 20  20  20  GLU GLU C . n 
A 1 21  LYS 21  21  21  LYS LYS C . n 
A 1 22  THR 22  22  ?   ?   ?   C . n 
A 1 23  LYS 23  23  ?   ?   ?   C . n 
A 1 24  GLN 24  24  ?   ?   ?   C . n 
A 1 25  GLY 25  25  ?   ?   ?   C . n 
A 1 26  VAL 26  26  ?   ?   ?   C . n 
A 1 27  ALA 27  27  ?   ?   ?   C . n 
A 1 28  GLU 28  28  ?   ?   ?   C . n 
A 1 29  ALA 29  29  ?   ?   ?   C . n 
A 1 30  ALA 30  30  ?   ?   ?   C . n 
A 1 31  GLY 31  31  ?   ?   ?   C . n 
A 1 32  LYS 32  32  ?   ?   ?   C . n 
A 1 33  THR 33  33  ?   ?   ?   C . n 
A 1 34  LYS 34  34  ?   ?   ?   C . n 
A 1 35  GLU 35  35  ?   ?   ?   C . n 
A 1 36  GLY 36  36  36  GLY GLY C . n 
A 1 37  VAL 37  37  37  VAL VAL C . n 
A 1 38  LEU 38  38  38  LEU LEU C . n 
A 1 39  TYR 39  39  39  TYR TYR C . n 
A 1 40  VAL 40  40  40  VAL VAL C . n 
A 1 41  GLY 41  41  41  GLY GLY C . n 
A 1 42  SER 42  42  42  SER SER C . n 
A 1 43  LYS 43  43  43  LYS LYS C . n 
A 1 44  THR 44  44  44  THR THR C . n 
A 1 45  LYS 45  45  45  LYS LYS C . n 
A 1 46  GLU 46  46  46  GLU GLU C . n 
A 1 47  GLY 47  47  47  GLY GLY C . n 
A 1 48  VAL 48  48  48  VAL VAL C . n 
A 1 49  VAL 49  49  49  VAL VAL C . n 
A 1 50  HIS 50  50  50  HIS HIS C . n 
A 1 51  GLY 51  51  51  GLY GLY C . n 
A 1 52  VAL 52  52  52  VAL VAL C . n 
A 1 53  ALA 53  53  53  ALA ALA C . n 
A 1 54  THR 54  54  54  THR THR C . n 
A 1 55  VAL 55  55  55  VAL VAL C . n 
A 1 56  ALA 56  56  56  ALA ALA C . n 
A 1 57  GLU 57  57  57  GLU GLU C . n 
A 1 58  LYS 58  58  58  LYS LYS C . n 
A 1 59  THR 59  59  59  THR THR C . n 
A 1 60  LYS 60  60  60  LYS LYS C . n 
A 1 61  GLU 61  61  61  GLU GLU C . n 
A 1 62  GLN 62  62  62  GLN GLN C . n 
A 1 63  VAL 63  63  63  VAL VAL C . n 
A 1 64  THR 64  64  64  THR THR C . n 
A 1 65  ASN 65  65  65  ASN ASN C . n 
A 1 66  VAL 66  66  66  VAL VAL C . n 
A 1 67  GLY 67  67  67  GLY GLY C . n 
A 1 68  GLY 68  68  68  GLY GLY C . n 
A 1 69  ALA 69  69  69  ALA ALA C . n 
A 1 70  VAL 70  70  70  VAL VAL C . n 
A 1 71  VAL 71  71  71  VAL VAL C . n 
A 1 72  THR 72  72  72  THR THR C . n 
A 1 73  GLY 73  73  73  GLY GLY C . n 
A 1 74  VAL 74  74  74  VAL VAL C . n 
A 1 75  THR 75  75  75  THR THR C . n 
A 1 76  ALA 76  76  76  ALA ALA C . n 
A 1 77  VAL 77  77  77  VAL VAL C . n 
A 1 78  ALA 78  78  78  ALA ALA C . n 
A 1 79  GLN 79  79  79  GLN GLN C . n 
A 1 80  LYS 80  80  80  LYS LYS C . n 
A 1 81  THR 81  81  81  THR THR C . n 
A 1 82  VAL 82  82  82  VAL VAL C . n 
A 1 83  GLU 83  83  83  GLU GLU C . n 
A 1 84  GLY 84  84  84  GLY GLY C . n 
A 1 85  ALA 85  85  85  ALA ALA C . n 
A 1 86  GLY 86  86  86  GLY GLY C . n 
A 1 87  SER 87  87  87  SER SER C . n 
A 1 88  ILE 88  88  88  ILE ILE C . n 
A 1 89  ALA 89  89  89  ALA ALA C . n 
A 1 90  ALA 90  90  90  ALA ALA C . n 
A 1 91  ALA 91  91  91  ALA ALA C . n 
A 1 92  THR 92  92  92  THR THR C . n 
A 1 93  GLY 93  93  93  GLY GLY C . n 
A 1 94  PHE 94  94  94  PHE PHE C . n 
A 1 95  VAL 95  95  95  VAL VAL C . n 
A 1 96  LYS 96  96  96  LYS LYS C . n 
A 1 97  LYS 97  97  97  LYS LYS C . n 
A 1 98  ASP 98  98  98  ASP ASP C . n 
A 1 99  GLN 99  99  99  GLN GLN C . n 
A 1 100 LEU 100 100 100 LEU LEU C . n 
A 1 101 GLY 101 101 ?   ?   ?   C . n 
A 1 102 LYS 102 102 ?   ?   ?   C . n 
A 1 103 ASN 103 103 ?   ?   ?   C . n 
A 1 104 GLU 104 104 ?   ?   ?   C . n 
A 1 105 GLU 105 105 ?   ?   ?   C . n 
A 1 106 GLY 106 106 ?   ?   ?   C . n 
A 1 107 ALA 107 107 ?   ?   ?   C . n 
A 1 108 PRO 108 108 ?   ?   ?   C . n 
A 1 109 GLN 109 109 ?   ?   ?   C . n 
A 1 110 GLU 110 110 ?   ?   ?   C . n 
A 1 111 GLY 111 111 ?   ?   ?   C . n 
A 1 112 ILE 112 112 ?   ?   ?   C . n 
A 1 113 LEU 113 113 ?   ?   ?   C . n 
A 1 114 GLU 114 114 ?   ?   ?   C . n 
A 1 115 ASP 115 115 ?   ?   ?   C . n 
A 1 116 MET 116 116 ?   ?   ?   C . n 
A 1 117 PRO 117 117 ?   ?   ?   C . n 
A 1 118 VAL 118 118 ?   ?   ?   C . n 
A 1 119 ASP 119 119 ?   ?   ?   C . n 
A 1 120 PRO 120 120 ?   ?   ?   C . n 
A 1 121 ASP 121 121 ?   ?   ?   C . n 
A 1 122 ASN 122 122 ?   ?   ?   C . n 
A 1 123 GLU 123 123 ?   ?   ?   C . n 
A 1 124 ALA 124 124 ?   ?   ?   C . n 
A 1 125 TYR 125 125 ?   ?   ?   C . n 
A 1 126 GLU 126 126 ?   ?   ?   C . n 
A 1 127 MET 127 127 ?   ?   ?   C . n 
A 1 128 PRO 128 128 ?   ?   ?   C . n 
A 1 129 SER 129 129 ?   ?   ?   C . n 
A 1 130 GLU 130 130 ?   ?   ?   C . n 
A 1 131 GLU 131 131 ?   ?   ?   C . n 
A 1 132 GLY 132 132 ?   ?   ?   C . n 
A 1 133 TYR 133 133 ?   ?   ?   C . n 
A 1 134 GLN 134 134 ?   ?   ?   C . n 
A 1 135 ASP 135 135 ?   ?   ?   C . n 
A 1 136 TYR 136 136 ?   ?   ?   C . n 
A 1 137 GLU 137 137 ?   ?   ?   C . n 
A 1 138 PRO 138 138 ?   ?   ?   C . n 
A 1 139 GLU 139 139 ?   ?   ?   C . n 
A 1 140 ALA 140 140 ?   ?   ?   C . n 
# 
_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                     9HGS 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     1.00 
_cell.length_a_esd                 ? 
_cell.length_b                     1.00 
_cell.length_b_esd                 ? 
_cell.length_c                     1.00 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        ? 
_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                         9HGS 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                1 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9HGS 
_exptl.crystals_number            ? 
_exptl.details                    ? 
_exptl.method                     'ELECTRON MICROSCOPY' 
_exptl.method_details             ? 
# 
_refine.pdbx_refine_id                           'ELECTRON MICROSCOPY' 
_refine.entry_id                                 9HGS 
_refine.pdbx_diffrn_id                           ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.ls_number_reflns_obs                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             ? 
_refine.ls_d_res_high                            . 
_refine.ls_percent_reflns_obs                    ? 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       ? 
_refine.ls_R_factor_R_free                       ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 ? 
_refine.ls_number_reflns_R_free                  ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.B_iso_mean                               ? 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.solvent_model_details                    ? 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_solvent_vdw_probe_radii             ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             ? 
_refine.pdbx_ls_cross_valid_method               ? 
_refine.details                                  ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.overall_SU_ML                            ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.overall_SU_B                             ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
# 
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 
'ELECTRON MICROSCOPY' ? 0.001 ? 526 ? f_bond_d           ? ? 
'ELECTRON MICROSCOPY' ? 0.345 ? 706 ? f_angle_d          ? ? 
'ELECTRON MICROSCOPY' ? 3.980 ? 74  ? f_dihedral_angle_d ? ? 
'ELECTRON MICROSCOPY' ? 0.047 ? 92  ? f_chiral_restr     ? ? 
'ELECTRON MICROSCOPY' ? 0.001 ? 87  ? f_plane_restr      ? ? 
# 
_struct.entry_id                     9HGS 
_struct.title                        'In vitro grown G14R Alpha-Synuclein Fibrils' 
_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        9HGS 
_struct_keywords.text            
'Alpha-Synuclein, G14R Mutation, Fibrils, Cryo-EM, Protein Aggregation, Amyloid Structure, PROTEIN FIBRIL' 
_struct_keywords.pdbx_keywords   'PROTEIN FIBRIL' 
# 
_struct_asym.id                            A 
_struct_asym.pdbx_blank_PDB_chainid_flag   N 
_struct_asym.pdbx_modified                 N 
_struct_asym.entity_id                     1 
_struct_asym.details                       ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    SYUA_HUMAN 
_struct_ref.pdbx_db_accession          P37840 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQK
TVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA
;
_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              9HGS 
_struct_ref_seq.pdbx_strand_id                C 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 140 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P37840 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  140 
_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       140 
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             9HGS 
_struct_ref_seq_dif.mon_id                       ARG 
_struct_ref_seq_dif.pdbx_pdb_strand_id           C 
_struct_ref_seq_dif.seq_num                      14 
_struct_ref_seq_dif.pdbx_pdb_ins_code            ? 
_struct_ref_seq_dif.pdbx_seq_db_name             UNP 
_struct_ref_seq_dif.pdbx_seq_db_accession_code   P37840 
_struct_ref_seq_dif.db_mon_id                    GLY 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          14 
_struct_ref_seq_dif.details                      'engineered mutation' 
_struct_ref_seq_dif.pdbx_auth_seq_num            14 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'electron microscopy' 
_pdbx_struct_assembly_auth_evidence.details                'not applicable' 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
_pdbx_entry_details.entry_id                   9HGS 
_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   N 
# 
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 GLU C 46 ? ? 53.39  -140.62 
2 1 HIS C 50 ? ? -98.56 -68.65  
# 
_em_3d_fitting.id                1 
_em_3d_fitting.entry_id          9HGS 
_em_3d_fitting.method            ? 
_em_3d_fitting.target_criteria   ? 
_em_3d_fitting.details           ? 
_em_3d_fitting.overall_b_value   ? 
_em_3d_fitting.ref_space         ? 
_em_3d_fitting.ref_protocol      ? 
# 
_em_3d_reconstruction.entry_id                    9HGS 
_em_3d_reconstruction.id                          1 
_em_3d_reconstruction.method                      ? 
_em_3d_reconstruction.algorithm                   ? 
_em_3d_reconstruction.citation_id                 ? 
_em_3d_reconstruction.details                     ? 
_em_3d_reconstruction.resolution                  3.0 
_em_3d_reconstruction.resolution_method           'FSC 0.143 CUT-OFF' 
_em_3d_reconstruction.magnification_calibration   ? 
_em_3d_reconstruction.nominal_pixel_size          ? 
_em_3d_reconstruction.actual_pixel_size           ? 
_em_3d_reconstruction.num_particles               128762 
_em_3d_reconstruction.euler_angles_details        ? 
_em_3d_reconstruction.num_class_averages          ? 
_em_3d_reconstruction.refinement_type             ? 
_em_3d_reconstruction.image_processing_id         1 
_em_3d_reconstruction.symmetry_type               POINT 
# 
_em_buffer.id            1 
_em_buffer.specimen_id   1 
_em_buffer.name          ? 
_em_buffer.details       ? 
_em_buffer.pH            7 
# 
_em_entity_assembly.id                   1 
_em_entity_assembly.parent_id            0 
_em_entity_assembly.source               RECOMBINANT 
_em_entity_assembly.type                 'ORGANELLE OR CELLULAR COMPONENT' 
_em_entity_assembly.name                 'Alpha-Synuclein G14R' 
_em_entity_assembly.details              ? 
_em_entity_assembly.synonym              ? 
_em_entity_assembly.oligomeric_details   ? 
_em_entity_assembly.entity_id_list       1 
# 
_em_imaging.entry_id                        9HGS 
_em_imaging.id                              1 
_em_imaging.astigmatism                     ? 
_em_imaging.electron_beam_tilt_params       ? 
_em_imaging.residual_tilt                   ? 
_em_imaging.microscope_model                'TFS KRIOS' 
_em_imaging.specimen_holder_type            ? 
_em_imaging.specimen_holder_model           ? 
_em_imaging.details                         ? 
_em_imaging.date                            ? 
_em_imaging.accelerating_voltage            300 
_em_imaging.illumination_mode               'FLOOD BEAM' 
_em_imaging.mode                            OTHER 
_em_imaging.nominal_cs                      ? 
_em_imaging.nominal_defocus_min             1200 
_em_imaging.nominal_defocus_max             2400 
_em_imaging.calibrated_defocus_min          ? 
_em_imaging.calibrated_defocus_max          ? 
_em_imaging.tilt_angle_min                  ? 
_em_imaging.tilt_angle_max                  ? 
_em_imaging.nominal_magnification           ? 
_em_imaging.calibrated_magnification        ? 
_em_imaging.electron_source                 'FIELD EMISSION GUN' 
_em_imaging.citation_id                     ? 
_em_imaging.temperature                     ? 
_em_imaging.detector_distance               ? 
_em_imaging.recording_temperature_minimum   ? 
_em_imaging.recording_temperature_maximum   ? 
_em_imaging.alignment_procedure             ? 
_em_imaging.c2_aperture_diameter            ? 
_em_imaging.specimen_id                     1 
_em_imaging.cryogen                         ? 
# 
_em_vitrification.entry_id              9HGS 
_em_vitrification.id                    1 
_em_vitrification.specimen_id           1 
_em_vitrification.cryogen_name          ETHANE-PROPANE 
_em_vitrification.humidity              ? 
_em_vitrification.temp                  ? 
_em_vitrification.chamber_temperature   ? 
_em_vitrification.instrument            ? 
_em_vitrification.method                ? 
_em_vitrification.time_resolved_state   ? 
_em_vitrification.citation_id           ? 
_em_vitrification.details               ? 
# 
_em_experiment.entry_id                9HGS 
_em_experiment.id                      1 
_em_experiment.reconstruction_method   'SINGLE PARTICLE' 
_em_experiment.aggregation_state       FILAMENT 
_em_experiment.entity_assembly_id      1 
# 
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 C MET 1   ? A MET 1   
2  1 Y 1 C ASP 2   ? A ASP 2   
3  1 Y 1 C VAL 3   ? A VAL 3   
4  1 Y 1 C PHE 4   ? A PHE 4   
5  1 Y 1 C MET 5   ? A MET 5   
6  1 Y 1 C LYS 6   ? A LYS 6   
7  1 Y 1 C GLY 7   ? A GLY 7   
8  1 Y 1 C LEU 8   ? A LEU 8   
9  1 Y 1 C SER 9   ? A SER 9   
10 1 Y 1 C LYS 10  ? A LYS 10  
11 1 Y 1 C ALA 11  ? A ALA 11  
12 1 Y 1 C THR 22  ? A THR 22  
13 1 Y 1 C LYS 23  ? A LYS 23  
14 1 Y 1 C GLN 24  ? A GLN 24  
15 1 Y 1 C GLY 25  ? A GLY 25  
16 1 Y 1 C VAL 26  ? A VAL 26  
17 1 Y 1 C ALA 27  ? A ALA 27  
18 1 Y 1 C GLU 28  ? A GLU 28  
19 1 Y 1 C ALA 29  ? A ALA 29  
20 1 Y 1 C ALA 30  ? A ALA 30  
21 1 Y 1 C GLY 31  ? A GLY 31  
22 1 Y 1 C LYS 32  ? A LYS 32  
23 1 Y 1 C THR 33  ? A THR 33  
24 1 Y 1 C LYS 34  ? A LYS 34  
25 1 Y 1 C GLU 35  ? A GLU 35  
26 1 Y 1 C GLY 101 ? A GLY 101 
27 1 Y 1 C LYS 102 ? A LYS 102 
28 1 Y 1 C ASN 103 ? A ASN 103 
29 1 Y 1 C GLU 104 ? A GLU 104 
30 1 Y 1 C GLU 105 ? A GLU 105 
31 1 Y 1 C GLY 106 ? A GLY 106 
32 1 Y 1 C ALA 107 ? A ALA 107 
33 1 Y 1 C PRO 108 ? A PRO 108 
34 1 Y 1 C GLN 109 ? A GLN 109 
35 1 Y 1 C GLU 110 ? A GLU 110 
36 1 Y 1 C GLY 111 ? A GLY 111 
37 1 Y 1 C ILE 112 ? A ILE 112 
38 1 Y 1 C LEU 113 ? A LEU 113 
39 1 Y 1 C GLU 114 ? A GLU 114 
40 1 Y 1 C ASP 115 ? A ASP 115 
41 1 Y 1 C MET 116 ? A MET 116 
42 1 Y 1 C PRO 117 ? A PRO 117 
43 1 Y 1 C VAL 118 ? A VAL 118 
44 1 Y 1 C ASP 119 ? A ASP 119 
45 1 Y 1 C PRO 120 ? A PRO 120 
46 1 Y 1 C ASP 121 ? A ASP 121 
47 1 Y 1 C ASN 122 ? A ASN 122 
48 1 Y 1 C GLU 123 ? A GLU 123 
49 1 Y 1 C ALA 124 ? A ALA 124 
50 1 Y 1 C TYR 125 ? A TYR 125 
51 1 Y 1 C GLU 126 ? A GLU 126 
52 1 Y 1 C MET 127 ? A MET 127 
53 1 Y 1 C PRO 128 ? A PRO 128 
54 1 Y 1 C SER 129 ? A SER 129 
55 1 Y 1 C GLU 130 ? A GLU 130 
56 1 Y 1 C GLU 131 ? A GLU 131 
57 1 Y 1 C GLY 132 ? A GLY 132 
58 1 Y 1 C TYR 133 ? A TYR 133 
59 1 Y 1 C GLN 134 ? A GLN 134 
60 1 Y 1 C ASP 135 ? A ASP 135 
61 1 Y 1 C TYR 136 ? A TYR 136 
62 1 Y 1 C GLU 137 ? A GLU 137 
63 1 Y 1 C PRO 138 ? A PRO 138 
64 1 Y 1 C GLU 139 ? A GLU 139 
65 1 Y 1 C ALA 140 ? A ALA 140 
# 
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  
GLN N    N N N 74  
GLN CA   C N S 75  
GLN C    C N N 76  
GLN O    O N N 77  
GLN CB   C N N 78  
GLN CG   C N N 79  
GLN CD   C N N 80  
GLN OE1  O N N 81  
GLN NE2  N N N 82  
GLN OXT  O N N 83  
GLN H    H N N 84  
GLN H2   H N N 85  
GLN HA   H N N 86  
GLN HB2  H N N 87  
GLN HB3  H N N 88  
GLN HG2  H N N 89  
GLN HG3  H N N 90  
GLN HE21 H N N 91  
GLN HE22 H N N 92  
GLN HXT  H N N 93  
GLU N    N N N 94  
GLU CA   C N S 95  
GLU C    C N N 96  
GLU O    O N N 97  
GLU CB   C N N 98  
GLU CG   C N N 99  
GLU CD   C N N 100 
GLU OE1  O N N 101 
GLU OE2  O N N 102 
GLU OXT  O N N 103 
GLU H    H N N 104 
GLU H2   H N N 105 
GLU HA   H N N 106 
GLU HB2  H N N 107 
GLU HB3  H N N 108 
GLU HG2  H N N 109 
GLU HG3  H N N 110 
GLU HE2  H N N 111 
GLU HXT  H N N 112 
GLY N    N N N 113 
GLY CA   C N N 114 
GLY C    C N N 115 
GLY O    O N N 116 
GLY OXT  O N N 117 
GLY H    H N N 118 
GLY H2   H N N 119 
GLY HA2  H N N 120 
GLY HA3  H N N 121 
GLY HXT  H N N 122 
HIS N    N N N 123 
HIS CA   C N S 124 
HIS C    C N N 125 
HIS O    O N N 126 
HIS CB   C N N 127 
HIS CG   C Y N 128 
HIS ND1  N Y N 129 
HIS CD2  C Y N 130 
HIS CE1  C Y N 131 
HIS NE2  N Y N 132 
HIS OXT  O N N 133 
HIS H    H N N 134 
HIS H2   H N N 135 
HIS HA   H N N 136 
HIS HB2  H N N 137 
HIS HB3  H N N 138 
HIS HD1  H N N 139 
HIS HD2  H N N 140 
HIS HE1  H N N 141 
HIS HE2  H N N 142 
HIS HXT  H N N 143 
ILE N    N N N 144 
ILE CA   C N S 145 
ILE C    C N N 146 
ILE O    O N N 147 
ILE CB   C N S 148 
ILE CG1  C N N 149 
ILE CG2  C N N 150 
ILE CD1  C N N 151 
ILE OXT  O N N 152 
ILE H    H N N 153 
ILE H2   H N N 154 
ILE HA   H N N 155 
ILE HB   H N N 156 
ILE HG12 H N N 157 
ILE HG13 H N N 158 
ILE HG21 H N N 159 
ILE HG22 H N N 160 
ILE HG23 H N N 161 
ILE HD11 H N N 162 
ILE HD12 H N N 163 
ILE HD13 H N N 164 
ILE HXT  H N N 165 
LEU N    N N N 166 
LEU CA   C N S 167 
LEU C    C N N 168 
LEU O    O N N 169 
LEU CB   C N N 170 
LEU CG   C N N 171 
LEU CD1  C N N 172 
LEU CD2  C N N 173 
LEU OXT  O N N 174 
LEU H    H N N 175 
LEU H2   H N N 176 
LEU HA   H N N 177 
LEU HB2  H N N 178 
LEU HB3  H N N 179 
LEU HG   H N N 180 
LEU HD11 H N N 181 
LEU HD12 H N N 182 
LEU HD13 H N N 183 
LEU HD21 H N N 184 
LEU HD22 H N N 185 
LEU HD23 H N N 186 
LEU HXT  H N N 187 
LYS N    N N N 188 
LYS CA   C N S 189 
LYS C    C N N 190 
LYS O    O N N 191 
LYS CB   C N N 192 
LYS CG   C N N 193 
LYS CD   C N N 194 
LYS CE   C N N 195 
LYS NZ   N N N 196 
LYS OXT  O N N 197 
LYS H    H N N 198 
LYS H2   H N N 199 
LYS HA   H N N 200 
LYS HB2  H N N 201 
LYS HB3  H N N 202 
LYS HG2  H N N 203 
LYS HG3  H N N 204 
LYS HD2  H N N 205 
LYS HD3  H N N 206 
LYS HE2  H N N 207 
LYS HE3  H N N 208 
LYS HZ1  H N N 209 
LYS HZ2  H N N 210 
LYS HZ3  H N N 211 
LYS HXT  H N N 212 
MET N    N N N 213 
MET CA   C N S 214 
MET C    C N N 215 
MET O    O N N 216 
MET CB   C N N 217 
MET CG   C N N 218 
MET SD   S N N 219 
MET CE   C N N 220 
MET OXT  O N N 221 
MET H    H N N 222 
MET H2   H N N 223 
MET HA   H N N 224 
MET HB2  H N N 225 
MET HB3  H N N 226 
MET HG2  H N N 227 
MET HG3  H N N 228 
MET HE1  H N N 229 
MET HE2  H N N 230 
MET HE3  H N N 231 
MET HXT  H N N 232 
PHE N    N N N 233 
PHE CA   C N S 234 
PHE C    C N N 235 
PHE O    O N N 236 
PHE CB   C N N 237 
PHE CG   C Y N 238 
PHE CD1  C Y N 239 
PHE CD2  C Y N 240 
PHE CE1  C Y N 241 
PHE CE2  C Y N 242 
PHE CZ   C Y N 243 
PHE OXT  O N N 244 
PHE H    H N N 245 
PHE H2   H N N 246 
PHE HA   H N N 247 
PHE HB2  H N N 248 
PHE HB3  H N N 249 
PHE HD1  H N N 250 
PHE HD2  H N N 251 
PHE HE1  H N N 252 
PHE HE2  H N N 253 
PHE HZ   H N N 254 
PHE HXT  H N N 255 
PRO N    N N N 256 
PRO CA   C N S 257 
PRO C    C N N 258 
PRO O    O N N 259 
PRO CB   C N N 260 
PRO CG   C N N 261 
PRO CD   C N N 262 
PRO OXT  O N N 263 
PRO H    H N N 264 
PRO HA   H N N 265 
PRO HB2  H N N 266 
PRO HB3  H N N 267 
PRO HG2  H N N 268 
PRO HG3  H N N 269 
PRO HD2  H N N 270 
PRO HD3  H N N 271 
PRO HXT  H N N 272 
SER N    N N N 273 
SER CA   C N S 274 
SER C    C N N 275 
SER O    O N N 276 
SER CB   C N N 277 
SER OG   O N N 278 
SER OXT  O N N 279 
SER H    H N N 280 
SER H2   H N N 281 
SER HA   H N N 282 
SER HB2  H N N 283 
SER HB3  H N N 284 
SER HG   H N N 285 
SER HXT  H N N 286 
THR N    N N N 287 
THR CA   C N S 288 
THR C    C N N 289 
THR O    O N N 290 
THR CB   C N R 291 
THR OG1  O N N 292 
THR CG2  C N N 293 
THR OXT  O N N 294 
THR H    H N N 295 
THR H2   H N N 296 
THR HA   H N N 297 
THR HB   H N N 298 
THR HG1  H N N 299 
THR HG21 H N N 300 
THR HG22 H N N 301 
THR HG23 H N N 302 
THR HXT  H N N 303 
TYR N    N N N 304 
TYR CA   C N S 305 
TYR C    C N N 306 
TYR O    O N N 307 
TYR CB   C N N 308 
TYR CG   C Y N 309 
TYR CD1  C Y N 310 
TYR CD2  C Y N 311 
TYR CE1  C Y N 312 
TYR CE2  C Y N 313 
TYR CZ   C Y N 314 
TYR OH   O N N 315 
TYR OXT  O N N 316 
TYR H    H N N 317 
TYR H2   H N N 318 
TYR HA   H N N 319 
TYR HB2  H N N 320 
TYR HB3  H N N 321 
TYR HD1  H N N 322 
TYR HD2  H N N 323 
TYR HE1  H N N 324 
TYR HE2  H N N 325 
TYR HH   H N N 326 
TYR HXT  H N N 327 
VAL N    N N N 328 
VAL CA   C N S 329 
VAL C    C N N 330 
VAL O    O N N 331 
VAL CB   C N N 332 
VAL CG1  C N N 333 
VAL CG2  C N N 334 
VAL OXT  O N N 335 
VAL H    H N N 336 
VAL H2   H N N 337 
VAL HA   H N N 338 
VAL HB   H N N 339 
VAL HG11 H N N 340 
VAL HG12 H N N 341 
VAL HG13 H N N 342 
VAL HG21 H N N 343 
VAL HG22 H N N 344 
VAL HG23 H N N 345 
VAL HXT  H N N 346 
# 
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  
GLN N   CA   sing N N 70  
GLN N   H    sing N N 71  
GLN N   H2   sing N N 72  
GLN CA  C    sing N N 73  
GLN CA  CB   sing N N 74  
GLN CA  HA   sing N N 75  
GLN C   O    doub N N 76  
GLN C   OXT  sing N N 77  
GLN CB  CG   sing N N 78  
GLN CB  HB2  sing N N 79  
GLN CB  HB3  sing N N 80  
GLN CG  CD   sing N N 81  
GLN CG  HG2  sing N N 82  
GLN CG  HG3  sing N N 83  
GLN CD  OE1  doub N N 84  
GLN CD  NE2  sing N N 85  
GLN NE2 HE21 sing N N 86  
GLN NE2 HE22 sing N N 87  
GLN OXT HXT  sing N N 88  
GLU N   CA   sing N N 89  
GLU N   H    sing N N 90  
GLU N   H2   sing N N 91  
GLU CA  C    sing N N 92  
GLU CA  CB   sing N N 93  
GLU CA  HA   sing N N 94  
GLU C   O    doub N N 95  
GLU C   OXT  sing N N 96  
GLU CB  CG   sing N N 97  
GLU CB  HB2  sing N N 98  
GLU CB  HB3  sing N N 99  
GLU CG  CD   sing N N 100 
GLU CG  HG2  sing N N 101 
GLU CG  HG3  sing N N 102 
GLU CD  OE1  doub N N 103 
GLU CD  OE2  sing N N 104 
GLU OE2 HE2  sing N N 105 
GLU OXT HXT  sing N N 106 
GLY N   CA   sing N N 107 
GLY N   H    sing N N 108 
GLY N   H2   sing N N 109 
GLY CA  C    sing N N 110 
GLY CA  HA2  sing N N 111 
GLY CA  HA3  sing N N 112 
GLY C   O    doub N N 113 
GLY C   OXT  sing N N 114 
GLY OXT HXT  sing N N 115 
HIS N   CA   sing N N 116 
HIS N   H    sing N N 117 
HIS N   H2   sing N N 118 
HIS CA  C    sing N N 119 
HIS CA  CB   sing N N 120 
HIS CA  HA   sing N N 121 
HIS C   O    doub N N 122 
HIS C   OXT  sing N N 123 
HIS CB  CG   sing N N 124 
HIS CB  HB2  sing N N 125 
HIS CB  HB3  sing N N 126 
HIS CG  ND1  sing Y N 127 
HIS CG  CD2  doub Y N 128 
HIS ND1 CE1  doub Y N 129 
HIS ND1 HD1  sing N N 130 
HIS CD2 NE2  sing Y N 131 
HIS CD2 HD2  sing N N 132 
HIS CE1 NE2  sing Y N 133 
HIS CE1 HE1  sing N N 134 
HIS NE2 HE2  sing N N 135 
HIS OXT HXT  sing N N 136 
ILE N   CA   sing N N 137 
ILE N   H    sing N N 138 
ILE N   H2   sing N N 139 
ILE CA  C    sing N N 140 
ILE CA  CB   sing N N 141 
ILE CA  HA   sing N N 142 
ILE C   O    doub N N 143 
ILE C   OXT  sing N N 144 
ILE CB  CG1  sing N N 145 
ILE CB  CG2  sing N N 146 
ILE CB  HB   sing N N 147 
ILE CG1 CD1  sing N N 148 
ILE CG1 HG12 sing N N 149 
ILE CG1 HG13 sing N N 150 
ILE CG2 HG21 sing N N 151 
ILE CG2 HG22 sing N N 152 
ILE CG2 HG23 sing N N 153 
ILE CD1 HD11 sing N N 154 
ILE CD1 HD12 sing N N 155 
ILE CD1 HD13 sing N N 156 
ILE OXT HXT  sing N N 157 
LEU N   CA   sing N N 158 
LEU N   H    sing N N 159 
LEU N   H2   sing N N 160 
LEU CA  C    sing N N 161 
LEU CA  CB   sing N N 162 
LEU CA  HA   sing N N 163 
LEU C   O    doub N N 164 
LEU C   OXT  sing N N 165 
LEU CB  CG   sing N N 166 
LEU CB  HB2  sing N N 167 
LEU CB  HB3  sing N N 168 
LEU CG  CD1  sing N N 169 
LEU CG  CD2  sing N N 170 
LEU CG  HG   sing N N 171 
LEU CD1 HD11 sing N N 172 
LEU CD1 HD12 sing N N 173 
LEU CD1 HD13 sing N N 174 
LEU CD2 HD21 sing N N 175 
LEU CD2 HD22 sing N N 176 
LEU CD2 HD23 sing N N 177 
LEU OXT HXT  sing N N 178 
LYS N   CA   sing N N 179 
LYS N   H    sing N N 180 
LYS N   H2   sing N N 181 
LYS CA  C    sing N N 182 
LYS CA  CB   sing N N 183 
LYS CA  HA   sing N N 184 
LYS C   O    doub N N 185 
LYS C   OXT  sing N N 186 
LYS CB  CG   sing N N 187 
LYS CB  HB2  sing N N 188 
LYS CB  HB3  sing N N 189 
LYS CG  CD   sing N N 190 
LYS CG  HG2  sing N N 191 
LYS CG  HG3  sing N N 192 
LYS CD  CE   sing N N 193 
LYS CD  HD2  sing N N 194 
LYS CD  HD3  sing N N 195 
LYS CE  NZ   sing N N 196 
LYS CE  HE2  sing N N 197 
LYS CE  HE3  sing N N 198 
LYS NZ  HZ1  sing N N 199 
LYS NZ  HZ2  sing N N 200 
LYS NZ  HZ3  sing N N 201 
LYS OXT HXT  sing N N 202 
MET N   CA   sing N N 203 
MET N   H    sing N N 204 
MET N   H2   sing N N 205 
MET CA  C    sing N N 206 
MET CA  CB   sing N N 207 
MET CA  HA   sing N N 208 
MET C   O    doub N N 209 
MET C   OXT  sing N N 210 
MET CB  CG   sing N N 211 
MET CB  HB2  sing N N 212 
MET CB  HB3  sing N N 213 
MET CG  SD   sing N N 214 
MET CG  HG2  sing N N 215 
MET CG  HG3  sing N N 216 
MET SD  CE   sing N N 217 
MET CE  HE1  sing N N 218 
MET CE  HE2  sing N N 219 
MET CE  HE3  sing N N 220 
MET OXT HXT  sing N N 221 
PHE N   CA   sing N N 222 
PHE N   H    sing N N 223 
PHE N   H2   sing N N 224 
PHE CA  C    sing N N 225 
PHE CA  CB   sing N N 226 
PHE CA  HA   sing N N 227 
PHE C   O    doub N N 228 
PHE C   OXT  sing N N 229 
PHE CB  CG   sing N N 230 
PHE CB  HB2  sing N N 231 
PHE CB  HB3  sing N N 232 
PHE CG  CD1  doub Y N 233 
PHE CG  CD2  sing Y N 234 
PHE CD1 CE1  sing Y N 235 
PHE CD1 HD1  sing N N 236 
PHE CD2 CE2  doub Y N 237 
PHE CD2 HD2  sing N N 238 
PHE CE1 CZ   doub Y N 239 
PHE CE1 HE1  sing N N 240 
PHE CE2 CZ   sing Y N 241 
PHE CE2 HE2  sing N N 242 
PHE CZ  HZ   sing N N 243 
PHE OXT HXT  sing N N 244 
PRO N   CA   sing N N 245 
PRO N   CD   sing N N 246 
PRO N   H    sing N N 247 
PRO CA  C    sing N N 248 
PRO CA  CB   sing N N 249 
PRO CA  HA   sing N N 250 
PRO C   O    doub N N 251 
PRO C   OXT  sing N N 252 
PRO CB  CG   sing N N 253 
PRO CB  HB2  sing N N 254 
PRO CB  HB3  sing N N 255 
PRO CG  CD   sing N N 256 
PRO CG  HG2  sing N N 257 
PRO CG  HG3  sing N N 258 
PRO CD  HD2  sing N N 259 
PRO CD  HD3  sing N N 260 
PRO OXT HXT  sing N N 261 
SER N   CA   sing N N 262 
SER N   H    sing N N 263 
SER N   H2   sing N N 264 
SER CA  C    sing N N 265 
SER CA  CB   sing N N 266 
SER CA  HA   sing N N 267 
SER C   O    doub N N 268 
SER C   OXT  sing N N 269 
SER CB  OG   sing N N 270 
SER CB  HB2  sing N N 271 
SER CB  HB3  sing N N 272 
SER OG  HG   sing N N 273 
SER OXT HXT  sing N N 274 
THR N   CA   sing N N 275 
THR N   H    sing N N 276 
THR N   H2   sing N N 277 
THR CA  C    sing N N 278 
THR CA  CB   sing N N 279 
THR CA  HA   sing N N 280 
THR C   O    doub N N 281 
THR C   OXT  sing N N 282 
THR CB  OG1  sing N N 283 
THR CB  CG2  sing N N 284 
THR CB  HB   sing N N 285 
THR OG1 HG1  sing N N 286 
THR CG2 HG21 sing N N 287 
THR CG2 HG22 sing N N 288 
THR CG2 HG23 sing N N 289 
THR OXT HXT  sing N N 290 
TYR N   CA   sing N N 291 
TYR N   H    sing N N 292 
TYR N   H2   sing N N 293 
TYR CA  C    sing N N 294 
TYR CA  CB   sing N N 295 
TYR CA  HA   sing N N 296 
TYR C   O    doub N N 297 
TYR C   OXT  sing N N 298 
TYR CB  CG   sing N N 299 
TYR CB  HB2  sing N N 300 
TYR CB  HB3  sing N N 301 
TYR CG  CD1  doub Y N 302 
TYR CG  CD2  sing Y N 303 
TYR CD1 CE1  sing Y N 304 
TYR CD1 HD1  sing N N 305 
TYR CD2 CE2  doub Y N 306 
TYR CD2 HD2  sing N N 307 
TYR CE1 CZ   doub Y N 308 
TYR CE1 HE1  sing N N 309 
TYR CE2 CZ   sing Y N 310 
TYR CE2 HE2  sing N N 311 
TYR CZ  OH   sing N N 312 
TYR OH  HH   sing N N 313 
TYR OXT HXT  sing N N 314 
VAL N   CA   sing N N 315 
VAL N   H    sing N N 316 
VAL N   H2   sing N N 317 
VAL CA  C    sing N N 318 
VAL CA  CB   sing N N 319 
VAL CA  HA   sing N N 320 
VAL C   O    doub N N 321 
VAL C   OXT  sing N N 322 
VAL CB  CG1  sing N N 323 
VAL CB  CG2  sing N N 324 
VAL CB  HB   sing N N 325 
VAL CG1 HG11 sing N N 326 
VAL CG1 HG12 sing N N 327 
VAL CG1 HG13 sing N N 328 
VAL CG2 HG21 sing N N 329 
VAL CG2 HG22 sing N N 330 
VAL CG2 HG23 sing N N 331 
VAL OXT HXT  sing N N 332 
# 
_em_admin.current_status     REL 
_em_admin.deposition_date    2024-11-20 
_em_admin.deposition_site    PDBE 
_em_admin.entry_id           9HGS 
_em_admin.last_update        2025-01-29 
_em_admin.map_release_date   2025-01-29 
_em_admin.title              'In vitro grown G14R Alpha-Synuclein Fibrils' 
# 
_em_ctf_correction.details                  ? 
_em_ctf_correction.em_image_processing_id   1 
_em_ctf_correction.id                       1 
_em_ctf_correction.type                     'PHASE FLIPPING AND AMPLITUDE CORRECTION' 
# 
_em_entity_assembly_molwt.entity_assembly_id   1 
_em_entity_assembly_molwt.experimental_flag    NO 
_em_entity_assembly_molwt.id                   1 
_em_entity_assembly_molwt.units                KILODALTONS/NANOMETER 
_em_entity_assembly_molwt.value                14.46 
# 
_em_entity_assembly_naturalsource.cell                 ? 
_em_entity_assembly_naturalsource.cellular_location    ? 
_em_entity_assembly_naturalsource.entity_assembly_id   1 
_em_entity_assembly_naturalsource.id                   2 
_em_entity_assembly_naturalsource.ncbi_tax_id          9606 
_em_entity_assembly_naturalsource.organism             'Homo sapiens' 
_em_entity_assembly_naturalsource.organelle            ? 
_em_entity_assembly_naturalsource.organ                ? 
_em_entity_assembly_naturalsource.strain               ? 
_em_entity_assembly_naturalsource.tissue               ? 
_em_entity_assembly_naturalsource.details              ? 
# 
_em_entity_assembly_recombinant.cell                 ? 
_em_entity_assembly_recombinant.entity_assembly_id   1 
_em_entity_assembly_recombinant.id                   2 
_em_entity_assembly_recombinant.ncbi_tax_id          562 
_em_entity_assembly_recombinant.organism             'Escherichia coli' 
_em_entity_assembly_recombinant.plasmid              ? 
_em_entity_assembly_recombinant.strain               ? 
# 
_em_image_processing.details              ? 
_em_image_processing.id                   1 
_em_image_processing.image_recording_id   1 
# 
_em_image_recording.average_exposure_time               ? 
_em_image_recording.avg_electron_dose_per_subtomogram   ? 
_em_image_recording.avg_electron_dose_per_image         40 
_em_image_recording.details                             ? 
_em_image_recording.detector_mode                       ? 
_em_image_recording.film_or_detector_model              'FEI FALCON IV (4k x 4k)' 
_em_image_recording.id                                  1 
_em_image_recording.imaging_id                          1 
_em_image_recording.num_diffraction_images              ? 
_em_image_recording.num_grids_imaged                    ? 
_em_image_recording.num_real_images                     ? 
# 
loop_
_em_software.category 
_em_software.details 
_em_software.id 
_em_software.image_processing_id 
_em_software.fitting_id 
_em_software.imaging_id 
_em_software.name 
_em_software.version 
'PARTICLE SELECTION'       ? 1  1 ? ? ? ? 
'IMAGE ACQUISITION'        ? 2  ? ? 1 ? ? 
MASKING                    ? 3  ? ? ? ? ? 
'CTF CORRECTION'           ? 4  1 ? ? ? ? 
'LAYERLINE INDEXING'       ? 5  ? ? ? ? ? 
'DIFFRACTION INDEXING'     ? 6  ? ? ? ? ? 
'MODEL FITTING'            ? 7  ? ? ? ? ? 
'MODEL REFINEMENT'         ? 8  ? ? ? ? ? 
OTHER                      ? 9  ? ? ? ? ? 
'INITIAL EULER ASSIGNMENT' ? 10 1 ? ? ? ? 
'FINAL EULER ASSIGNMENT'   ? 11 1 ? ? ? ? 
CLASSIFICATION             ? 12 1 ? ? ? ? 
RECONSTRUCTION             ? 13 1 ? ? ? ? 
# 
_em_specimen.concentration           ? 
_em_specimen.details                 ? 
_em_specimen.embedding_applied       NO 
_em_specimen.experiment_id           1 
_em_specimen.id                      1 
_em_specimen.shadowing_applied       NO 
_em_specimen.staining_applied        NO 
_em_specimen.vitrification_applied   YES 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'German Research Foundation (DFG)' Germany         'EXC 2067/1-390729940' 1 
'German Research Foundation (DFG)' Germany         'SFB1286 (B8)'         2 
'German Research Foundation (DFG)' Germany         'SFB1286 (A12)'        3 
'German Research Foundation (DFG)' Germany         448415290              4 
'Michael J. Fox Foundation'        'United States' ASAP-000282            5 
# 
_atom_sites.entry_id                    9HGS 
_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]   1.000000 
_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]   1.000000 
_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]   1.000000 
_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 
# 
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 12  ? 200.108 173.913 152.779 1.00 105.09 ? 12  LYS C N   1 
ATOM 2   C CA  . LYS A 1 12  ? 200.167 173.350 151.436 1.00 106.79 ? 12  LYS C CA  1 
ATOM 3   C C   . LYS A 1 12  ? 198.785 172.915 150.963 1.00 107.56 ? 12  LYS C C   1 
ATOM 4   O O   . LYS A 1 12  ? 198.301 173.371 149.928 1.00 108.82 ? 12  LYS C O   1 
ATOM 5   C CB  . LYS A 1 12  ? 201.133 172.165 151.391 1.00 108.57 ? 12  LYS C CB  1 
ATOM 6   C CG  . LYS A 1 12  ? 202.559 172.506 151.800 1.00 109.02 ? 12  LYS C CG  1 
ATOM 7   C CD  . LYS A 1 12  ? 203.485 171.295 151.727 1.00 107.50 ? 12  LYS C CD  1 
ATOM 8   C CE  . LYS A 1 12  ? 202.721 169.979 151.789 1.00 106.49 ? 12  LYS C CE  1 
ATOM 9   N NZ  . LYS A 1 12  ? 203.630 168.803 151.702 1.00 105.74 ? 12  LYS C NZ  1 
ATOM 10  N N   . GLU A 1 13  ? 198.151 172.032 151.730 1.00 101.98 ? 13  GLU C N   1 
ATOM 11  C CA  . GLU A 1 13  ? 196.823 171.524 151.411 1.00 101.23 ? 13  GLU C CA  1 
ATOM 12  C C   . GLU A 1 13  ? 195.784 172.364 152.142 1.00 98.57  ? 13  GLU C C   1 
ATOM 13  O O   . GLU A 1 13  ? 195.843 172.502 153.368 1.00 103.21 ? 13  GLU C O   1 
ATOM 14  C CB  . GLU A 1 13  ? 196.694 170.052 151.800 1.00 100.54 ? 13  GLU C CB  1 
ATOM 15  C CG  . GLU A 1 13  ? 197.375 169.089 150.842 1.00 103.09 ? 13  GLU C CG  1 
ATOM 16  C CD  . GLU A 1 13  ? 198.871 169.003 151.066 1.00 103.77 ? 13  GLU C CD  1 
ATOM 17  O OE1 . GLU A 1 13  ? 199.289 168.395 152.074 1.00 100.54 ? 13  GLU C OE1 1 
ATOM 18  O OE2 . GLU A 1 13  ? 199.631 169.540 150.233 1.00 103.58 ? 13  GLU C OE2 1 
ATOM 19  N N   . ARG A 1 14  ? 194.849 172.949 151.387 1.00 92.23  ? 14  ARG C N   1 
ATOM 20  C CA  . ARG A 1 14  ? 193.835 173.847 152.001 1.00 90.80  ? 14  ARG C CA  1 
ATOM 21  C C   . ARG A 1 14  ? 192.474 173.639 151.322 1.00 91.54  ? 14  ARG C C   1 
ATOM 22  O O   . ARG A 1 14  ? 192.436 173.610 150.073 1.00 99.78  ? 14  ARG C O   1 
ATOM 23  C CB  . ARG A 1 14  ? 194.264 175.310 151.847 1.00 92.60  ? 14  ARG C CB  1 
ATOM 24  C CG  . ARG A 1 14  ? 195.633 175.636 152.427 1.00 97.22  ? 14  ARG C CG  1 
ATOM 25  C CD  . ARG A 1 14  ? 196.311 176.777 151.690 1.00 99.76  ? 14  ARG C CD  1 
ATOM 26  N NE  . ARG A 1 14  ? 197.706 176.943 152.113 1.00 99.88  ? 14  ARG C NE  1 
ATOM 27  C CZ  . ARG A 1 14  ? 198.752 176.807 151.309 1.00 98.07  ? 14  ARG C CZ  1 
ATOM 28  N NH1 . ARG A 1 14  ? 198.580 176.402 150.064 1.00 93.47  ? 14  ARG C NH1 1 
ATOM 29  N NH2 . ARG A 1 14  ? 199.967 177.072 151.755 1.00 98.09  ? 14  ARG C NH2 1 
ATOM 30  N N   . VAL A 1 15  ? 191.406 173.501 152.112 1.00 66.20  ? 15  VAL C N   1 
ATOM 31  C CA  . VAL A 1 15  ? 190.031 173.363 151.543 1.00 65.34  ? 15  VAL C CA  1 
ATOM 32  C C   . VAL A 1 15  ? 189.088 174.252 152.369 1.00 65.52  ? 15  VAL C C   1 
ATOM 33  O O   . VAL A 1 15  ? 189.166 174.192 153.616 1.00 73.64  ? 15  VAL C O   1 
ATOM 34  C CB  . VAL A 1 15  ? 189.564 171.894 151.519 1.00 69.88  ? 15  VAL C CB  1 
ATOM 35  C CG1 . VAL A 1 15  ? 190.420 171.030 150.600 1.00 74.85  ? 15  VAL C CG1 1 
ATOM 36  C CG2 . VAL A 1 15  ? 189.477 171.294 152.917 1.00 72.19  ? 15  VAL C CG2 1 
ATOM 37  N N   . VAL A 1 16  ? 188.252 175.058 151.709 1.00 62.02  ? 16  VAL C N   1 
ATOM 38  C CA  . VAL A 1 16  ? 187.379 176.012 152.458 1.00 63.24  ? 16  VAL C CA  1 
ATOM 39  C C   . VAL A 1 16  ? 186.077 176.250 151.678 1.00 66.47  ? 16  VAL C C   1 
ATOM 40  O O   . VAL A 1 16  ? 186.134 176.286 150.430 1.00 74.60  ? 16  VAL C O   1 
ATOM 41  C CB  . VAL A 1 16  ? 188.133 177.331 152.718 1.00 64.52  ? 16  VAL C CB  1 
ATOM 42  C CG1 . VAL A 1 16  ? 188.764 177.891 151.449 1.00 63.84  ? 16  VAL C CG1 1 
ATOM 43  C CG2 . VAL A 1 16  ? 187.254 178.376 153.395 1.00 63.33  ? 16  VAL C CG2 1 
ATOM 44  N N   . ALA A 1 17  ? 184.953 176.394 152.386 1.00 50.33  ? 17  ALA C N   1 
ATOM 45  C CA  . ALA A 1 17  ? 183.661 176.697 151.725 1.00 56.79  ? 17  ALA C CA  1 
ATOM 46  C C   . ALA A 1 17  ? 183.036 177.916 152.405 1.00 58.15  ? 17  ALA C C   1 
ATOM 47  O O   . ALA A 1 17  ? 182.885 177.897 153.645 1.00 62.16  ? 17  ALA C O   1 
ATOM 48  C CB  . ALA A 1 17  ? 182.748 175.495 151.792 1.00 60.43  ? 17  ALA C CB  1 
ATOM 49  N N   . ALA A 1 18  ? 182.694 178.945 151.626 1.00 61.13  ? 18  ALA C N   1 
ATOM 50  C CA  . ALA A 1 18  ? 182.136 180.188 152.209 1.00 62.34  ? 18  ALA C CA  1 
ATOM 51  C C   . ALA A 1 18  ? 180.786 180.507 151.564 1.00 61.76  ? 18  ALA C C   1 
ATOM 52  O O   . ALA A 1 18  ? 180.714 180.562 150.318 1.00 67.61  ? 18  ALA C O   1 
ATOM 53  C CB  . ALA A 1 18  ? 183.116 181.325 152.024 1.00 61.73  ? 18  ALA C CB  1 
ATOM 54  N N   . ALA A 1 19  ? 179.753 180.715 152.384 1.00 58.53  ? 19  ALA C N   1 
ATOM 55  C CA  . ALA A 1 19  ? 178.417 181.080 151.857 1.00 61.26  ? 19  ALA C CA  1 
ATOM 56  C C   . ALA A 1 19  ? 178.110 182.528 152.240 1.00 68.76  ? 19  ALA C C   1 
ATOM 57  O O   . ALA A 1 19  ? 176.923 182.860 152.447 1.00 63.83  ? 19  ALA C O   1 
ATOM 58  C CB  . ALA A 1 19  ? 177.371 180.128 152.390 1.00 56.23  ? 19  ALA C CB  1 
ATOM 59  N N   . GLU A 1 20  ? 179.150 183.362 152.338 1.00 91.58  ? 20  GLU C N   1 
ATOM 60  C CA  . GLU A 1 20  ? 178.967 184.781 152.739 1.00 88.75  ? 20  GLU C CA  1 
ATOM 61  C C   . GLU A 1 20  ? 177.983 185.467 151.780 1.00 92.27  ? 20  GLU C C   1 
ATOM 62  O O   . GLU A 1 20  ? 178.186 185.362 150.550 1.00 94.49  ? 20  GLU C O   1 
ATOM 63  C CB  . GLU A 1 20  ? 180.316 185.498 152.719 1.00 89.53  ? 20  GLU C CB  1 
ATOM 64  C CG  . GLU A 1 20  ? 181.400 184.757 153.496 1.00 90.27  ? 20  GLU C CG  1 
ATOM 65  C CD  . GLU A 1 20  ? 182.765 185.415 153.419 1.00 96.95  ? 20  GLU C CD  1 
ATOM 66  O OE1 . GLU A 1 20  ? 183.710 184.761 152.930 1.00 95.81  ? 20  GLU C OE1 1 
ATOM 67  O OE2 . GLU A 1 20  ? 182.882 186.583 153.846 1.00 98.19  ? 20  GLU C OE2 1 
ATOM 68  N N   . LYS A 1 21  ? 176.968 186.146 152.323 1.00 30.00  ? 21  LYS C N   1 
ATOM 69  C CA  . LYS A 1 21  ? 175.983 186.872 151.478 1.00 30.00  ? 21  LYS C CA  1 
ATOM 70  C C   . LYS A 1 21  ? 175.764 188.281 152.054 1.00 30.00  ? 21  LYS C C   1 
ATOM 71  O O   . LYS A 1 21  ? 176.724 188.804 152.663 1.00 30.00  ? 21  LYS C O   1 
ATOM 72  C CB  . LYS A 1 21  ? 174.659 186.104 151.400 1.00 30.00  ? 21  LYS C CB  1 
ATOM 73  C CG  . LYS A 1 21  ? 173.606 186.729 150.499 1.00 30.00  ? 21  LYS C CG  1 
ATOM 74  C CD  . LYS A 1 21  ? 172.300 185.948 150.438 1.00 30.00  ? 21  LYS C CD  1 
ATOM 75  C CE  . LYS A 1 21  ? 171.576 185.992 151.743 1.00 30.00  ? 21  LYS C CE  1 
ATOM 76  N NZ  . LYS A 1 21  ? 171.149 187.358 152.057 1.00 30.00  ? 21  LYS C NZ  1 
ATOM 77  N N   . GLY A 1 36  ? 143.615 186.439 154.409 1.00 88.59  ? 36  GLY C N   1 
ATOM 78  C CA  . GLY A 1 36  ? 144.452 187.139 153.416 1.00 88.97  ? 36  GLY C CA  1 
ATOM 79  C C   . GLY A 1 36  ? 145.610 187.855 154.082 1.00 88.07  ? 36  GLY C C   1 
ATOM 80  O O   . GLY A 1 36  ? 145.355 188.668 154.995 1.00 91.47  ? 36  GLY C O   1 
ATOM 81  N N   . VAL A 1 37  ? 146.840 187.568 153.646 1.00 87.96  ? 37  VAL C N   1 
ATOM 82  C CA  . VAL A 1 37  ? 148.049 188.200 154.257 1.00 89.63  ? 37  VAL C CA  1 
ATOM 83  C C   . VAL A 1 37  ? 148.470 189.399 153.391 1.00 92.53  ? 37  VAL C C   1 
ATOM 84  O O   . VAL A 1 37  ? 148.342 189.310 152.151 1.00 94.43  ? 37  VAL C O   1 
ATOM 85  C CB  . VAL A 1 37  ? 149.202 187.192 154.434 1.00 87.98  ? 37  VAL C CB  1 
ATOM 86  C CG1 . VAL A 1 37  ? 149.722 186.664 153.102 1.00 88.70  ? 37  VAL C CG1 1 
ATOM 87  C CG2 . VAL A 1 37  ? 150.335 187.763 155.277 1.00 85.06  ? 37  VAL C CG2 1 
ATOM 88  N N   . LEU A 1 38  ? 148.926 190.483 154.026 1.00 81.97  ? 38  LEU C N   1 
ATOM 89  C CA  . LEU A 1 38  ? 149.360 191.693 153.279 1.00 83.62  ? 38  LEU C CA  1 
ATOM 90  C C   . LEU A 1 38  ? 150.753 192.115 153.768 1.00 79.66  ? 38  LEU C C   1 
ATOM 91  O O   . LEU A 1 38  ? 150.978 192.096 154.997 1.00 80.52  ? 38  LEU C O   1 
ATOM 92  C CB  . LEU A 1 38  ? 148.347 192.824 153.455 1.00 82.99  ? 38  LEU C CB  1 
ATOM 93  C CG  . LEU A 1 38  ? 147.000 192.651 152.744 1.00 84.22  ? 38  LEU C CG  1 
ATOM 94  C CD1 . LEU A 1 38  ? 146.005 191.861 153.576 1.00 82.04  ? 38  LEU C CD1 1 
ATOM 95  C CD2 . LEU A 1 38  ? 146.421 193.999 152.353 1.00 84.90  ? 38  LEU C CD2 1 
ATOM 96  N N   . TYR A 1 39  ? 151.647 192.477 152.845 1.00 80.11  ? 39  TYR C N   1 
ATOM 97  C CA  . TYR A 1 39  ? 152.998 192.964 153.236 1.00 78.87  ? 39  TYR C CA  1 
ATOM 98  C C   . TYR A 1 39  ? 153.193 194.361 152.650 1.00 81.44  ? 39  TYR C C   1 
ATOM 99  O O   . TYR A 1 39  ? 153.628 194.473 151.483 1.00 89.61  ? 39  TYR C O   1 
ATOM 100 C CB  . TYR A 1 39  ? 154.088 191.998 152.762 1.00 86.24  ? 39  TYR C CB  1 
ATOM 101 C CG  . TYR A 1 39  ? 153.911 190.551 153.201 1.00 81.36  ? 39  TYR C CG  1 
ATOM 102 C CD1 . TYR A 1 39  ? 154.376 190.113 154.435 1.00 78.59  ? 39  TYR C CD1 1 
ATOM 103 C CD2 . TYR A 1 39  ? 153.274 189.625 152.384 1.00 82.49  ? 39  TYR C CD2 1 
ATOM 104 C CE1 . TYR A 1 39  ? 154.220 188.798 154.840 1.00 84.09  ? 39  TYR C CE1 1 
ATOM 105 C CE2 . TYR A 1 39  ? 153.112 188.307 152.778 1.00 83.31  ? 39  TYR C CE2 1 
ATOM 106 C CZ  . TYR A 1 39  ? 153.587 187.892 154.009 1.00 84.52  ? 39  TYR C CZ  1 
ATOM 107 O OH  . TYR A 1 39  ? 153.430 186.596 154.404 1.00 84.31  ? 39  TYR C OH  1 
ATOM 108 N N   . VAL A 1 40  ? 152.873 195.395 153.433 1.00 75.06  ? 40  VAL C N   1 
ATOM 109 C CA  . VAL A 1 40  ? 153.048 196.803 152.962 1.00 80.66  ? 40  VAL C CA  1 
ATOM 110 C C   . VAL A 1 40  ? 154.436 197.297 153.405 1.00 79.55  ? 40  VAL C C   1 
ATOM 111 O O   . VAL A 1 40  ? 154.627 197.532 154.619 1.00 86.25  ? 40  VAL C O   1 
ATOM 112 C CB  . VAL A 1 40  ? 151.916 197.721 153.466 1.00 82.89  ? 40  VAL C CB  1 
ATOM 113 C CG1 . VAL A 1 40  ? 151.538 197.437 154.915 1.00 84.96  ? 40  VAL C CG1 1 
ATOM 114 C CG2 . VAL A 1 40  ? 152.229 199.197 153.251 1.00 81.77  ? 40  VAL C CG2 1 
ATOM 115 N N   . GLY A 1 41  ? 155.374 197.412 152.460 1.00 71.95  ? 41  GLY C N   1 
ATOM 116 C CA  . GLY A 1 41  ? 156.736 197.878 152.788 1.00 69.92  ? 41  GLY C CA  1 
ATOM 117 C C   . GLY A 1 41  ? 157.339 197.064 153.916 1.00 79.13  ? 41  GLY C C   1 
ATOM 118 O O   . GLY A 1 41  ? 158.032 197.660 154.767 1.00 88.51  ? 41  GLY C O   1 
ATOM 119 N N   . SER A 1 42  ? 157.087 195.751 153.930 1.00 72.92  ? 42  SER C N   1 
ATOM 120 C CA  . SER A 1 42  ? 157.630 194.867 154.995 1.00 76.45  ? 42  SER C CA  1 
ATOM 121 C C   . SER A 1 42  ? 158.341 193.664 154.359 1.00 74.50  ? 42  SER C C   1 
ATOM 122 O O   . SER A 1 42  ? 157.700 192.956 153.551 1.00 73.21  ? 42  SER C O   1 
ATOM 123 C CB  . SER A 1 42  ? 156.544 194.424 155.941 1.00 75.74  ? 42  SER C CB  1 
ATOM 124 O OG  . SER A 1 42  ? 155.535 193.701 155.250 1.00 74.91  ? 42  SER C OG  1 
ATOM 125 N N   . LYS A 1 43  ? 159.619 193.457 154.692 1.00 73.32  ? 43  LYS C N   1 
ATOM 126 C CA  . LYS A 1 43  ? 160.407 192.350 154.087 1.00 71.65  ? 43  LYS C CA  1 
ATOM 127 C C   . LYS A 1 43  ? 160.188 191.058 154.888 1.00 74.72  ? 43  LYS C C   1 
ATOM 128 O O   . LYS A 1 43  ? 160.189 191.129 156.136 1.00 75.22  ? 43  LYS C O   1 
ATOM 129 C CB  . LYS A 1 43  ? 161.895 192.716 154.064 1.00 70.35  ? 43  LYS C CB  1 
ATOM 130 C CG  . LYS A 1 43  ? 162.834 191.611 153.604 1.00 68.83  ? 43  LYS C CG  1 
ATOM 131 C CD  . LYS A 1 43  ? 164.305 191.994 153.715 1.00 71.96  ? 43  LYS C CD  1 
ATOM 132 C CE  . LYS A 1 43  ? 165.218 190.874 153.330 1.00 72.04  ? 43  LYS C CE  1 
ATOM 133 N NZ  . LYS A 1 43  ? 166.626 191.255 153.462 1.00 73.73  ? 43  LYS C NZ  1 
ATOM 134 N N   . THR A 1 44  ? 160.011 189.928 154.197 1.00 66.74  ? 44  THR C N   1 
ATOM 135 C CA  . THR A 1 44  ? 159.843 188.628 154.884 1.00 68.04  ? 44  THR C CA  1 
ATOM 136 C C   . THR A 1 44  ? 160.706 187.592 154.194 1.00 64.93  ? 44  THR C C   1 
ATOM 137 O O   . THR A 1 44  ? 160.906 187.711 152.966 1.00 70.69  ? 44  THR C O   1 
ATOM 138 C CB  . THR A 1 44  ? 158.366 188.233 154.894 1.00 66.73  ? 44  THR C CB  1 
ATOM 139 O OG1 . THR A 1 44  ? 158.338 186.941 155.491 1.00 73.54  ? 44  THR C OG1 1 
ATOM 140 C CG2 . THR A 1 44  ? 157.762 188.179 153.503 1.00 60.27  ? 44  THR C CG2 1 
ATOM 141 N N   . LYS A 1 45  ? 161.215 186.615 154.950 1.00 59.63  ? 45  LYS C N   1 
ATOM 142 C CA  . LYS A 1 45  ? 162.054 185.536 154.364 1.00 58.48  ? 45  LYS C CA  1 
ATOM 143 C C   . LYS A 1 45  ? 161.293 184.204 154.449 1.00 59.80  ? 45  LYS C C   1 
ATOM 144 O O   . LYS A 1 45  ? 161.494 183.354 153.554 1.00 67.43  ? 45  LYS C O   1 
ATOM 145 C CB  . LYS A 1 45  ? 163.409 185.438 155.072 1.00 58.71  ? 45  LYS C CB  1 
ATOM 146 C CG  . LYS A 1 45  ? 164.278 186.682 154.967 1.00 61.75  ? 45  LYS C CG  1 
ATOM 147 C CD  . LYS A 1 45  ? 165.643 186.513 155.623 1.00 62.60  ? 45  LYS C CD  1 
ATOM 148 C CE  . LYS A 1 45  ? 166.534 185.591 154.853 1.00 63.38  ? 45  LYS C CE  1 
ATOM 149 N NZ  . LYS A 1 45  ? 166.927 186.169 153.566 1.00 66.57  ? 45  LYS C NZ  1 
ATOM 150 N N   . GLU A 1 46  ? 160.461 184.035 155.481 1.00 30.00  ? 46  GLU C N   1 
ATOM 151 C CA  . GLU A 1 46  ? 159.647 182.795 155.613 1.00 30.00  ? 46  GLU C CA  1 
ATOM 152 C C   . GLU A 1 46  ? 160.565 181.562 155.536 1.00 30.00  ? 46  GLU C C   1 
ATOM 153 O O   . GLU A 1 46  ? 161.675 181.617 156.111 1.00 30.00  ? 46  GLU C O   1 
ATOM 154 C CB  . GLU A 1 46  ? 158.534 182.753 154.565 1.00 30.00  ? 46  GLU C CB  1 
ATOM 155 C CG  . GLU A 1 46  ? 157.534 183.894 154.724 1.00 30.00  ? 46  GLU C CG  1 
ATOM 156 C CD  . GLU A 1 46  ? 156.269 183.765 153.896 1.00 30.00  ? 46  GLU C CD  1 
ATOM 157 O OE1 . GLU A 1 46  ? 156.019 184.651 153.052 1.00 30.00  ? 46  GLU C OE1 1 
ATOM 158 O OE2 . GLU A 1 46  ? 155.530 182.781 154.104 1.00 30.00  ? 46  GLU C OE2 1 
ATOM 159 N N   . GLY A 1 47  ? 160.121 180.495 154.862 1.00 30.00  ? 47  GLY C N   1 
ATOM 160 C CA  . GLY A 1 47  ? 160.914 179.250 154.805 1.00 30.00  ? 47  GLY C CA  1 
ATOM 161 C C   . GLY A 1 47  ? 162.042 179.360 153.799 1.00 30.00  ? 47  GLY C C   1 
ATOM 162 O O   . GLY A 1 47  ? 161.739 179.465 152.592 1.00 30.00  ? 47  GLY C O   1 
ATOM 163 N N   . VAL A 1 48  ? 163.295 179.326 154.266 1.00 50.13  ? 48  VAL C N   1 
ATOM 164 C CA  . VAL A 1 48  ? 164.455 179.515 153.343 1.00 47.42  ? 48  VAL C CA  1 
ATOM 165 C C   . VAL A 1 48  ? 165.751 179.019 154.004 1.00 53.07  ? 48  VAL C C   1 
ATOM 166 O O   . VAL A 1 48  ? 166.026 179.433 155.150 1.00 66.86  ? 48  VAL C O   1 
ATOM 167 C CB  . VAL A 1 48  ? 164.580 180.992 152.919 1.00 44.90  ? 48  VAL C CB  1 
ATOM 168 C CG1 . VAL A 1 48  ? 164.453 181.945 154.101 1.00 49.29  ? 48  VAL C CG1 1 
ATOM 169 C CG2 . VAL A 1 48  ? 165.865 181.258 152.145 1.00 53.55  ? 48  VAL C CG2 1 
ATOM 170 N N   . VAL A 1 49  ? 166.508 178.159 153.316 1.00 49.04  ? 49  VAL C N   1 
ATOM 171 C CA  . VAL A 1 49  ? 167.839 177.726 153.841 1.00 54.80  ? 49  VAL C CA  1 
ATOM 172 C C   . VAL A 1 49  ? 168.847 178.771 153.343 1.00 55.92  ? 49  VAL C C   1 
ATOM 173 O O   . VAL A 1 49  ? 168.868 179.020 152.119 1.00 61.45  ? 49  VAL C O   1 
ATOM 174 C CB  . VAL A 1 49  ? 168.226 176.305 153.390 1.00 43.36  ? 49  VAL C CB  1 
ATOM 175 C CG1 . VAL A 1 49  ? 169.583 175.886 153.943 1.00 44.12  ? 49  VAL C CG1 1 
ATOM 176 C CG2 . VAL A 1 49  ? 167.157 175.284 153.758 1.00 52.48  ? 49  VAL C CG2 1 
ATOM 177 N N   . HIS A 1 50  ? 169.639 179.360 154.241 1.00 70.68  ? 50  HIS C N   1 
ATOM 178 C CA  . HIS A 1 50  ? 170.530 180.482 153.831 1.00 73.57  ? 50  HIS C CA  1 
ATOM 179 C C   . HIS A 1 50  ? 171.963 180.015 153.574 1.00 77.41  ? 50  HIS C C   1 
ATOM 180 O O   . HIS A 1 50  ? 172.393 180.035 152.401 1.00 77.19  ? 50  HIS C O   1 
ATOM 181 C CB  . HIS A 1 50  ? 170.493 181.575 154.907 1.00 76.40  ? 50  HIS C CB  1 
ATOM 182 C CG  . HIS A 1 50  ? 171.386 182.756 154.688 1.00 81.55  ? 50  HIS C CG  1 
ATOM 183 N ND1 . HIS A 1 50  ? 171.069 183.990 155.212 1.00 83.64  ? 50  HIS C ND1 1 
ATOM 184 C CD2 . HIS A 1 50  ? 172.557 182.917 154.056 1.00 80.52  ? 50  HIS C CD2 1 
ATOM 185 C CE1 . HIS A 1 50  ? 172.017 184.859 154.894 1.00 83.04  ? 50  HIS C CE1 1 
ATOM 186 N NE2 . HIS A 1 50  ? 172.931 184.228 154.191 1.00 82.44  ? 50  HIS C NE2 1 
ATOM 187 N N   . GLY A 1 51  ? 172.683 179.609 154.621 1.00 62.81  ? 51  GLY C N   1 
ATOM 188 C CA  . GLY A 1 51  ? 174.090 179.305 154.458 1.00 64.85  ? 51  GLY C CA  1 
ATOM 189 C C   . GLY A 1 51  ? 174.498 177.963 155.024 1.00 60.24  ? 51  GLY C C   1 
ATOM 190 O O   . GLY A 1 51  ? 174.297 177.697 156.212 1.00 72.22  ? 51  GLY C O   1 
ATOM 191 N N   . VAL A 1 52  ? 175.074 177.108 154.183 1.00 46.06  ? 52  VAL C N   1 
ATOM 192 C CA  . VAL A 1 52  ? 175.514 175.775 154.581 1.00 49.82  ? 52  VAL C CA  1 
ATOM 193 C C   . VAL A 1 52  ? 176.930 175.590 154.051 1.00 52.73  ? 52  VAL C C   1 
ATOM 194 O O   . VAL A 1 52  ? 177.129 175.384 152.849 1.00 61.07  ? 52  VAL C O   1 
ATOM 195 C CB  . VAL A 1 52  ? 174.585 174.671 154.065 1.00 50.98  ? 52  VAL C CB  1 
ATOM 196 C CG1 . VAL A 1 52  ? 175.084 173.310 154.517 1.00 43.67  ? 52  VAL C CG1 1 
ATOM 197 C CG2 . VAL A 1 52  ? 173.160 174.901 154.543 1.00 45.21  ? 52  VAL C CG2 1 
ATOM 198 N N   . ALA A 1 53  ? 177.915 175.662 154.940 1.00 50.19  ? 53  ALA C N   1 
ATOM 199 C CA  . ALA A 1 53  ? 179.300 175.356 154.610 1.00 53.55  ? 53  ALA C CA  1 
ATOM 200 C C   . ALA A 1 53  ? 179.652 173.999 155.203 1.00 52.68  ? 53  ALA C C   1 
ATOM 201 O O   . ALA A 1 53  ? 179.394 173.750 156.384 1.00 64.46  ? 53  ALA C O   1 
ATOM 202 C CB  . ALA A 1 53  ? 180.244 176.434 155.145 1.00 58.18  ? 53  ALA C CB  1 
ATOM 203 N N   . THR A 1 54  ? 180.239 173.125 154.386 1.00 41.69  ? 54  THR C N   1 
ATOM 204 C CA  . THR A 1 54  ? 180.454 171.739 154.778 1.00 52.93  ? 54  THR C CA  1 
ATOM 205 C C   . THR A 1 54  ? 181.929 171.397 154.948 1.00 57.74  ? 54  THR C C   1 
ATOM 206 O O   . THR A 1 54  ? 182.342 171.001 156.042 1.00 63.89  ? 54  THR C O   1 
ATOM 207 C CB  . THR A 1 54  ? 179.804 170.805 153.749 1.00 57.99  ? 54  THR C CB  1 
ATOM 208 O OG1 . THR A 1 54  ? 178.406 171.104 153.653 1.00 55.44  ? 54  THR C OG1 1 
ATOM 209 C CG2 . THR A 1 54  ? 179.975 169.356 154.168 1.00 56.93  ? 54  THR C CG2 1 
ATOM 210 N N   . VAL A 1 55  ? 182.738 171.558 153.899 1.00 50.28  ? 55  VAL C N   1 
ATOM 211 C CA  . VAL A 1 55  ? 184.162 171.225 153.924 1.00 57.06  ? 55  VAL C CA  1 
ATOM 212 C C   . VAL A 1 55  ? 184.367 169.815 154.470 1.00 61.69  ? 55  VAL C C   1 
ATOM 213 O O   . VAL A 1 55  ? 185.173 169.600 155.382 1.00 61.61  ? 55  VAL C O   1 
ATOM 214 C CB  . VAL A 1 55  ? 184.965 172.254 154.742 1.00 62.81  ? 55  VAL C CB  1 
ATOM 215 C CG1 . VAL A 1 55  ? 186.431 172.234 154.336 1.00 62.25  ? 55  VAL C CG1 1 
ATOM 216 C CG2 . VAL A 1 55  ? 184.386 173.647 154.562 1.00 68.68  ? 55  VAL C CG2 1 
ATOM 217 N N   . ALA A 1 56  ? 183.636 168.849 153.925 1.00 61.40  ? 56  ALA C N   1 
ATOM 218 C CA  . ALA A 1 56  ? 183.740 167.473 154.386 1.00 57.69  ? 56  ALA C CA  1 
ATOM 219 C C   . ALA A 1 56  ? 184.946 166.779 153.765 1.00 61.03  ? 56  ALA C C   1 
ATOM 220 O O   . ALA A 1 56  ? 185.410 167.140 152.680 1.00 71.93  ? 56  ALA C O   1 
ATOM 221 C CB  . ALA A 1 56  ? 182.468 166.694 154.052 1.00 57.90  ? 56  ALA C CB  1 
ATOM 222 N N   . GLU A 1 57  ? 185.457 165.774 154.473 1.00 61.85  ? 57  GLU C N   1 
ATOM 223 C CA  . GLU A 1 57  ? 186.559 164.958 153.971 1.00 62.06  ? 57  GLU C CA  1 
ATOM 224 C C   . GLU A 1 57  ? 186.439 163.587 154.621 1.00 66.52  ? 57  GLU C C   1 
ATOM 225 O O   . GLU A 1 57  ? 186.554 163.467 155.845 1.00 72.69  ? 57  GLU C O   1 
ATOM 226 C CB  . GLU A 1 57  ? 187.910 165.604 154.272 1.00 64.94  ? 57  GLU C CB  1 
ATOM 227 C CG  . GLU A 1 57  ? 189.053 164.623 154.464 1.00 69.35  ? 57  GLU C CG  1 
ATOM 228 C CD  . GLU A 1 57  ? 190.401 165.308 154.517 1.00 70.30  ? 57  GLU C CD  1 
ATOM 229 O OE1 . GLU A 1 57  ? 190.526 166.320 155.237 1.00 69.90  ? 57  GLU C OE1 1 
ATOM 230 O OE2 . GLU A 1 57  ? 191.337 164.834 153.839 1.00 68.23  ? 57  GLU C OE2 1 
ATOM 231 N N   . LYS A 1 58  ? 186.124 162.569 153.808 1.00 67.13  ? 58  LYS C N   1 
ATOM 232 C CA  . LYS A 1 58  ? 185.906 161.198 154.343 1.00 67.70  ? 58  LYS C CA  1 
ATOM 233 C C   . LYS A 1 58  ? 186.722 160.183 153.530 1.00 72.54  ? 58  LYS C C   1 
ATOM 234 O O   . LYS A 1 58  ? 186.169 159.623 152.559 1.00 75.05  ? 58  LYS C O   1 
ATOM 235 C CB  . LYS A 1 58  ? 184.422 160.815 154.293 1.00 68.41  ? 58  LYS C CB  1 
ATOM 236 C CG  . LYS A 1 58  ? 183.439 161.898 154.716 1.00 71.17  ? 58  LYS C CG  1 
ATOM 237 C CD  . LYS A 1 58  ? 181.982 161.462 154.619 1.00 67.85  ? 58  LYS C CD  1 
ATOM 238 C CE  . LYS A 1 58  ? 181.036 162.533 155.063 1.00 69.97  ? 58  LYS C CE  1 
ATOM 239 N NZ  . LYS A 1 58  ? 179.639 162.111 154.944 1.00 78.22  ? 58  LYS C NZ  1 
ATOM 240 N N   . THR A 1 59  ? 187.976 159.949 153.917 1.00 79.01  ? 59  THR C N   1 
ATOM 241 C CA  . THR A 1 59  ? 188.834 158.989 153.238 1.00 76.44  ? 59  THR C CA  1 
ATOM 242 C C   . THR A 1 59  ? 188.443 157.568 153.620 1.00 74.43  ? 59  THR C C   1 
ATOM 243 O O   . THR A 1 59  ? 188.132 157.286 154.780 1.00 81.39  ? 59  THR C O   1 
ATOM 244 C CB  . THR A 1 59  ? 190.302 159.233 153.588 1.00 74.31  ? 59  THR C CB  1 
ATOM 245 O OG1 . THR A 1 59  ? 190.576 158.710 154.893 1.00 79.22  ? 59  THR C OG1 1 
ATOM 246 C CG2 . THR A 1 59  ? 190.610 160.719 153.575 1.00 76.79  ? 59  THR C CG2 1 
ATOM 247 N N   . LYS A 1 60  ? 188.504 156.652 152.648 1.00 72.24  ? 60  LYS C N   1 
ATOM 248 C CA  . LYS A 1 60  ? 188.175 155.221 152.905 1.00 75.23  ? 60  LYS C CA  1 
ATOM 249 C C   . LYS A 1 60  ? 186.741 155.107 153.443 1.00 76.83  ? 60  LYS C C   1 
ATOM 250 O O   . LYS A 1 60  ? 186.573 154.656 154.596 1.00 82.06  ? 60  LYS C O   1 
ATOM 251 C CB  . LYS A 1 60  ? 189.195 154.555 153.839 1.00 79.29  ? 60  LYS C CB  1 
ATOM 252 C CG  . LYS A 1 60  ? 190.588 154.406 153.246 1.00 76.57  ? 60  LYS C CG  1 
ATOM 253 C CD  . LYS A 1 60  ? 191.579 153.763 154.209 1.00 78.04  ? 60  LYS C CD  1 
ATOM 254 C CE  . LYS A 1 60  ? 192.945 153.593 153.620 1.00 77.28  ? 60  LYS C CE  1 
ATOM 255 N NZ  . LYS A 1 60  ? 193.881 152.995 154.575 1.00 78.45  ? 60  LYS C NZ  1 
ATOM 256 N N   . GLU A 1 61  ? 185.752 155.483 152.631 1.00 72.47  ? 61  GLU C N   1 
ATOM 257 C CA  . GLU A 1 61  ? 184.353 155.383 153.022 1.00 69.78  ? 61  GLU C CA  1 
ATOM 258 C C   . GLU A 1 61  ? 183.690 154.209 152.313 1.00 74.42  ? 61  GLU C C   1 
ATOM 259 O O   . GLU A 1 61  ? 183.898 153.996 151.115 1.00 77.77  ? 61  GLU C O   1 
ATOM 260 C CB  . GLU A 1 61  ? 183.605 156.677 152.696 1.00 70.84  ? 61  GLU C CB  1 
ATOM 261 C CG  . GLU A 1 61  ? 182.115 156.621 152.981 1.00 72.39  ? 61  GLU C CG  1 
ATOM 262 C CD  . GLU A 1 61  ? 181.390 157.876 152.540 1.00 78.66  ? 61  GLU C CD  1 
ATOM 263 O OE1 . GLU A 1 61  ? 182.057 158.801 152.032 1.00 82.96  ? 61  GLU C OE1 1 
ATOM 264 O OE2 . GLU A 1 61  ? 180.153 157.938 152.701 1.00 79.50  ? 61  GLU C OE2 1 
ATOM 265 N N   . GLN A 1 62  ? 182.895 153.446 153.062 1.00 63.86  ? 62  GLN C N   1 
ATOM 266 C CA  . GLN A 1 62  ? 182.159 152.310 152.526 1.00 64.01  ? 62  GLN C CA  1 
ATOM 267 C C   . GLN A 1 62  ? 180.710 152.382 152.983 1.00 60.15  ? 62  GLN C C   1 
ATOM 268 O O   . GLN A 1 62  ? 180.430 152.745 154.128 1.00 72.51  ? 62  GLN C O   1 
ATOM 269 C CB  . GLN A 1 62  ? 182.775 150.981 152.975 1.00 66.26  ? 62  GLN C CB  1 
ATOM 270 C CG  . GLN A 1 62  ? 183.900 150.480 152.087 1.00 68.70  ? 62  GLN C CG  1 
ATOM 271 C CD  . GLN A 1 62  ? 185.126 150.074 152.878 1.00 72.35  ? 62  GLN C CD  1 
ATOM 272 O OE1 . GLN A 1 62  ? 185.691 150.874 153.623 1.00 70.37  ? 62  GLN C OE1 1 
ATOM 273 N NE2 . GLN A 1 62  ? 185.546 148.824 152.720 1.00 73.52  ? 62  GLN C NE2 1 
ATOM 274 N N   . VAL A 1 63  ? 179.793 152.037 152.083 1.00 51.35  ? 63  VAL C N   1 
ATOM 275 C CA  . VAL A 1 63  ? 178.367 151.988 152.389 1.00 52.61  ? 63  VAL C CA  1 
ATOM 276 C C   . VAL A 1 63  ? 177.794 150.716 151.783 1.00 57.84  ? 63  VAL C C   1 
ATOM 277 O O   . VAL A 1 63  ? 178.020 150.429 150.603 1.00 61.77  ? 63  VAL C O   1 
ATOM 278 C CB  . VAL A 1 63  ? 177.619 153.226 151.858 1.00 56.04  ? 63  VAL C CB  1 
ATOM 279 C CG1 . VAL A 1 63  ? 176.125 152.963 151.799 1.00 56.35  ? 63  VAL C CG1 1 
ATOM 280 C CG2 . VAL A 1 63  ? 177.912 154.436 152.726 1.00 51.97  ? 63  VAL C CG2 1 
ATOM 281 N N   . THR A 1 64  ? 177.055 149.951 152.587 1.00 58.79  ? 64  THR C N   1 
ATOM 282 C CA  . THR A 1 64  ? 176.430 148.703 152.147 1.00 62.77  ? 64  THR C CA  1 
ATOM 283 C C   . THR A 1 64  ? 174.964 148.733 152.566 1.00 59.22  ? 64  THR C C   1 
ATOM 284 O O   . THR A 1 64  ? 174.610 148.276 153.655 1.00 60.22  ? 64  THR C O   1 
ATOM 285 C CB  . THR A 1 64  ? 177.153 147.490 152.722 1.00 64.40  ? 64  THR C CB  1 
ATOM 286 O OG1 . THR A 1 64  ? 178.567 147.728 152.719 1.00 69.10  ? 64  THR C OG1 1 
ATOM 287 C CG2 . THR A 1 64  ? 176.852 146.251 151.894 1.00 56.97  ? 64  THR C CG2 1 
ATOM 288 N N   . ASN A 1 65  ? 174.114 149.269 151.697 1.00 54.87  ? 65  ASN C N   1 
ATOM 289 C CA  . ASN A 1 65  ? 172.683 149.331 151.951 1.00 55.19  ? 65  ASN C CA  1 
ATOM 290 C C   . ASN A 1 65  ? 171.987 148.129 151.328 1.00 59.33  ? 65  ASN C C   1 
ATOM 291 O O   . ASN A 1 65  ? 172.300 147.729 150.204 1.00 63.81  ? 65  ASN C O   1 
ATOM 292 C CB  . ASN A 1 65  ? 172.092 150.626 151.392 1.00 56.19  ? 65  ASN C CB  1 
ATOM 293 C CG  . ASN A 1 65  ? 170.656 150.847 151.823 1.00 53.97  ? 65  ASN C CG  1 
ATOM 294 O OD1 . ASN A 1 65  ? 169.888 151.520 151.139 1.00 59.44  ? 65  ASN C OD1 1 
ATOM 295 N ND2 . ASN A 1 65  ? 170.289 150.285 152.968 1.00 58.88  ? 65  ASN C ND2 1 
ATOM 296 N N   . VAL A 1 66  ? 171.043 147.552 152.069 1.00 56.66  ? 66  VAL C N   1 
ATOM 297 C CA  . VAL A 1 66  ? 170.254 146.414 151.608 1.00 61.27  ? 66  VAL C CA  1 
ATOM 298 C C   . VAL A 1 66  ? 168.793 146.746 151.884 1.00 62.63  ? 66  VAL C C   1 
ATOM 299 O O   . VAL A 1 66  ? 168.301 146.538 152.999 1.00 63.22  ? 66  VAL C O   1 
ATOM 300 C CB  . VAL A 1 66  ? 170.660 145.102 152.288 1.00 59.23  ? 66  VAL C CB  1 
ATOM 301 C CG1 . VAL A 1 66  ? 169.767 143.963 151.818 1.00 58.58  ? 66  VAL C CG1 1 
ATOM 302 C CG2 . VAL A 1 66  ? 172.121 144.784 152.011 1.00 57.38  ? 66  VAL C CG2 1 
ATOM 303 N N   . GLY A 1 67  ? 168.098 147.266 150.877 1.00 67.17  ? 67  GLY C N   1 
ATOM 304 C CA  . GLY A 1 67  ? 166.673 147.535 151.002 1.00 66.49  ? 67  GLY C CA  1 
ATOM 305 C C   . GLY A 1 67  ? 166.314 148.563 152.052 1.00 66.97  ? 67  GLY C C   1 
ATOM 306 O O   . GLY A 1 67  ? 165.273 148.437 152.710 1.00 66.37  ? 67  GLY C O   1 
ATOM 307 N N   . GLY A 1 68  ? 167.147 149.583 152.222 1.00 69.55  ? 68  GLY C N   1 
ATOM 308 C CA  . GLY A 1 68  ? 166.909 150.628 153.200 1.00 69.08  ? 68  GLY C CA  1 
ATOM 309 C C   . GLY A 1 68  ? 167.103 151.999 152.581 1.00 66.75  ? 68  GLY C C   1 
ATOM 310 O O   . GLY A 1 68  ? 166.747 152.247 151.430 1.00 62.29  ? 68  GLY C O   1 
ATOM 311 N N   . ALA A 1 69  ? 167.679 152.903 153.371 1.00 59.51  ? 69  ALA C N   1 
ATOM 312 C CA  . ALA A 1 69  ? 167.947 154.263 152.914 1.00 58.70  ? 69  ALA C CA  1 
ATOM 313 C C   . ALA A 1 69  ? 169.152 154.792 153.677 1.00 60.45  ? 69  ALA C C   1 
ATOM 314 O O   . ALA A 1 69  ? 169.090 154.954 154.899 1.00 62.31  ? 69  ALA C O   1 
ATOM 315 C CB  . ALA A 1 69  ? 166.732 155.162 153.118 1.00 61.76  ? 69  ALA C CB  1 
ATOM 316 N N   . VAL A 1 70  ? 170.242 155.055 152.962 1.00 48.95  ? 70  VAL C N   1 
ATOM 317 C CA  . VAL A 1 70  ? 171.457 155.616 153.541 1.00 50.29  ? 70  VAL C CA  1 
ATOM 318 C C   . VAL A 1 70  ? 171.724 156.950 152.860 1.00 48.23  ? 70  VAL C C   1 
ATOM 319 O O   . VAL A 1 70  ? 171.840 157.012 151.629 1.00 60.64  ? 70  VAL C O   1 
ATOM 320 C CB  . VAL A 1 70  ? 172.656 154.670 153.384 1.00 44.09  ? 70  VAL C CB  1 
ATOM 321 C CG1 . VAL A 1 70  ? 173.942 155.373 153.786 1.00 44.61  ? 70  VAL C CG1 1 
ATOM 322 C CG2 . VAL A 1 70  ? 172.450 153.414 154.211 1.00 51.96  ? 70  VAL C CG2 1 
ATOM 323 N N   . VAL A 1 71  ? 171.821 158.013 153.654 1.00 46.86  ? 71  VAL C N   1 
ATOM 324 C CA  . VAL A 1 71  ? 172.078 159.358 153.151 1.00 49.15  ? 71  VAL C CA  1 
ATOM 325 C C   . VAL A 1 71  ? 173.308 159.896 153.865 1.00 56.88  ? 71  VAL C C   1 
ATOM 326 O O   . VAL A 1 71  ? 173.311 160.018 155.095 1.00 62.57  ? 71  VAL C O   1 
ATOM 327 C CB  . VAL A 1 71  ? 170.876 160.294 153.364 1.00 53.44  ? 71  VAL C CB  1 
ATOM 328 C CG1 . VAL A 1 71  ? 171.212 161.697 152.895 1.00 53.72  ? 71  VAL C CG1 1 
ATOM 329 C CG2 . VAL A 1 71  ? 169.655 159.761 152.635 1.00 53.96  ? 71  VAL C CG2 1 
ATOM 330 N N   . THR A 1 72  ? 174.346 160.220 153.100 1.00 56.73  ? 72  THR C N   1 
ATOM 331 C CA  . THR A 1 72  ? 175.609 160.702 153.645 1.00 56.81  ? 72  THR C CA  1 
ATOM 332 C C   . THR A 1 72  ? 176.068 161.955 152.915 1.00 59.88  ? 72  THR C C   1 
ATOM 333 O O   . THR A 1 72  ? 177.254 162.124 152.617 1.00 64.80  ? 72  THR C O   1 
ATOM 334 C CB  . THR A 1 72  ? 176.685 159.620 153.577 1.00 53.43  ? 72  THR C CB  1 
ATOM 335 O OG1 . THR A 1 72  ? 176.640 158.979 152.297 1.00 58.30  ? 72  THR C OG1 1 
ATOM 336 C CG2 . THR A 1 72  ? 176.467 158.581 154.665 1.00 51.54  ? 72  THR C CG2 1 
ATOM 337 N N   . GLY A 1 73  ? 175.133 162.861 152.619 1.00 57.74  ? 73  GLY C N   1 
ATOM 338 C CA  . GLY A 1 73  ? 175.460 164.071 151.897 1.00 50.73  ? 73  GLY C CA  1 
ATOM 339 C C   . GLY A 1 73  ? 174.662 165.252 152.412 1.00 54.80  ? 73  GLY C C   1 
ATOM 340 O O   . GLY A 1 73  ? 173.786 165.115 153.268 1.00 54.65  ? 73  GLY C O   1 
ATOM 341 N N   . VAL A 1 74  ? 174.987 166.425 151.866 1.00 54.63  ? 74  VAL C N   1 
ATOM 342 C CA  . VAL A 1 74  ? 174.319 167.654 152.270 1.00 48.13  ? 74  VAL C CA  1 
ATOM 343 C C   . VAL A 1 74  ? 172.924 167.707 151.664 1.00 49.13  ? 74  VAL C C   1 
ATOM 344 O O   . VAL A 1 74  ? 172.724 167.394 150.483 1.00 59.70  ? 74  VAL C O   1 
ATOM 345 C CB  . VAL A 1 74  ? 175.150 168.878 151.853 1.00 47.61  ? 74  VAL C CB  1 
ATOM 346 C CG1 . VAL A 1 74  ? 174.670 170.117 152.587 1.00 47.10  ? 74  VAL C CG1 1 
ATOM 347 C CG2 . VAL A 1 74  ? 176.625 168.630 152.119 1.00 49.48  ? 74  VAL C CG2 1 
ATOM 348 N N   . THR A 1 75  ? 171.948 168.105 152.475 1.00 48.38  ? 75  THR C N   1 
ATOM 349 C CA  . THR A 1 75  ? 170.571 168.245 152.029 1.00 51.86  ? 75  THR C CA  1 
ATOM 350 C C   . THR A 1 75  ? 170.008 169.551 152.565 1.00 45.00  ? 75  THR C C   1 
ATOM 351 O O   . THR A 1 75  ? 170.240 169.903 153.725 1.00 59.67  ? 75  THR C O   1 
ATOM 352 C CB  . THR A 1 75  ? 169.707 167.065 152.496 1.00 58.04  ? 75  THR C CB  1 
ATOM 353 O OG1 . THR A 1 75  ? 170.290 165.837 152.044 1.00 55.16  ? 75  THR C OG1 1 
ATOM 354 C CG2 . THR A 1 75  ? 168.297 167.179 151.941 1.00 54.05  ? 75  THR C CG2 1 
ATOM 355 N N   . ALA A 1 76  ? 169.271 170.267 151.718 1.00 33.10  ? 76  ALA C N   1 
ATOM 356 C CA  . ALA A 1 76  ? 168.685 171.554 152.089 1.00 37.19  ? 76  ALA C CA  1 
ATOM 357 C C   . ALA A 1 76  ? 167.295 171.640 151.467 1.00 44.21  ? 76  ALA C C   1 
ATOM 358 O O   . ALA A 1 76  ? 167.161 171.923 150.273 1.00 55.49  ? 76  ALA C O   1 
ATOM 359 C CB  . ALA A 1 76  ? 169.567 172.711 151.641 1.00 47.73  ? 76  ALA C CB  1 
ATOM 360 N N   . VAL A 1 77  ? 166.269 171.397 152.275 1.00 36.75  ? 77  VAL C N   1 
ATOM 361 C CA  . VAL A 1 77  ? 164.880 171.494 151.845 1.00 43.41  ? 77  VAL C CA  1 
ATOM 362 C C   . VAL A 1 77  ? 164.294 172.777 152.414 1.00 44.95  ? 77  VAL C C   1 
ATOM 363 O O   . VAL A 1 77  ? 164.437 173.057 153.611 1.00 47.70  ? 77  VAL C O   1 
ATOM 364 C CB  . VAL A 1 77  ? 164.069 170.267 152.294 1.00 42.37  ? 77  VAL C CB  1 
ATOM 365 C CG1 . VAL A 1 77  ? 162.619 170.403 151.864 1.00 40.86  ? 77  VAL C CG1 1 
ATOM 366 C CG2 . VAL A 1 77  ? 164.681 168.998 151.729 1.00 38.42  ? 77  VAL C CG2 1 
ATOM 367 N N   . ALA A 1 78  ? 163.640 173.560 151.562 1.00 51.82  ? 78  ALA C N   1 
ATOM 368 C CA  . ALA A 1 78  ? 163.123 174.874 151.927 1.00 53.90  ? 78  ALA C CA  1 
ATOM 369 C C   . ALA A 1 78  ? 161.654 174.998 151.548 1.00 57.82  ? 78  ALA C C   1 
ATOM 370 O O   . ALA A 1 78  ? 161.226 175.972 150.928 1.00 67.45  ? 78  ALA C O   1 
ATOM 371 C CB  . ALA A 1 78  ? 163.948 175.976 151.272 1.00 67.03  ? 78  ALA C CB  1 
ATOM 372 N N   . GLN A 1 79  ? 160.859 174.000 151.920 1.00 56.78  ? 79  GLN C N   1 
ATOM 373 C CA  . GLN A 1 79  ? 159.435 174.027 151.621 1.00 58.72  ? 79  GLN C CA  1 
ATOM 374 C C   . GLN A 1 79  ? 158.743 175.156 152.377 1.00 56.13  ? 79  GLN C C   1 
ATOM 375 O O   . GLN A 1 79  ? 159.201 175.604 153.430 1.00 55.93  ? 79  GLN C O   1 
ATOM 376 C CB  . GLN A 1 79  ? 158.784 172.693 151.981 1.00 49.98  ? 79  GLN C CB  1 
ATOM 377 C CG  . GLN A 1 79  ? 158.971 171.608 150.941 1.00 55.24  ? 79  GLN C CG  1 
ATOM 378 C CD  . GLN A 1 79  ? 159.125 170.237 151.562 1.00 58.51  ? 79  GLN C CD  1 
ATOM 379 O OE1 . GLN A 1 79  ? 159.386 170.111 152.757 1.00 49.68  ? 79  GLN C OE1 1 
ATOM 380 N NE2 . GLN A 1 79  ? 158.962 169.199 150.751 1.00 68.25  ? 79  GLN C NE2 1 
ATOM 381 N N   . LYS A 1 80  ? 157.626 175.617 151.821 1.00 61.27  ? 80  LYS C N   1 
ATOM 382 C CA  . LYS A 1 80  ? 156.820 176.669 152.428 1.00 58.03  ? 80  LYS C CA  1 
ATOM 383 C C   . LYS A 1 80  ? 155.439 176.200 152.852 1.00 63.14  ? 80  LYS C C   1 
ATOM 384 O O   . LYS A 1 80  ? 154.939 176.637 153.889 1.00 63.22  ? 80  LYS C O   1 
ATOM 385 C CB  . LYS A 1 80  ? 156.674 177.848 151.460 1.00 59.48  ? 80  LYS C CB  1 
ATOM 386 C CG  . LYS A 1 80  ? 156.138 179.116 152.103 1.00 62.71  ? 80  LYS C CG  1 
ATOM 387 C CD  . LYS A 1 80  ? 154.715 179.403 151.656 1.00 62.83  ? 80  LYS C CD  1 
ATOM 388 C CE  . LYS A 1 80  ? 154.425 180.893 151.660 1.00 64.31  ? 80  LYS C CE  1 
ATOM 389 N NZ  . LYS A 1 80  ? 152.967 181.173 151.755 1.00 64.43  ? 80  LYS C NZ  1 
ATOM 390 N N   . THR A 1 81  ? 154.808 175.321 152.078 1.00 68.29  ? 81  THR C N   1 
ATOM 391 C CA  . THR A 1 81  ? 153.488 174.802 152.422 1.00 67.57  ? 81  THR C CA  1 
ATOM 392 C C   . THR A 1 81  ? 153.376 173.380 151.898 1.00 64.07  ? 81  THR C C   1 
ATOM 393 O O   . THR A 1 81  ? 153.556 173.145 150.700 1.00 72.22  ? 81  THR C O   1 
ATOM 394 C CB  . THR A 1 81  ? 152.375 175.677 151.842 1.00 72.91  ? 81  THR C CB  1 
ATOM 395 O OG1 . THR A 1 81  ? 152.448 176.988 152.415 1.00 73.91  ? 81  THR C OG1 1 
ATOM 396 C CG2 . THR A 1 81  ? 151.014 175.074 152.145 1.00 70.22  ? 81  THR C CG2 1 
ATOM 397 N N   . VAL A 1 82  ? 153.084 172.440 152.794 1.00 59.28  ? 82  VAL C N   1 
ATOM 398 C CA  . VAL A 1 82  ? 152.957 171.030 152.442 1.00 66.13  ? 82  VAL C CA  1 
ATOM 399 C C   . VAL A 1 82  ? 151.555 170.571 152.827 1.00 65.97  ? 82  VAL C C   1 
ATOM 400 O O   . VAL A 1 82  ? 151.357 169.435 153.270 1.00 67.70  ? 82  VAL C O   1 
ATOM 401 C CB  . VAL A 1 82  ? 154.046 170.180 153.124 1.00 62.90  ? 82  VAL C CB  1 
ATOM 402 C CG1 . VAL A 1 82  ? 153.830 168.696 152.848 1.00 55.74  ? 82  VAL C CG1 1 
ATOM 403 C CG2 . VAL A 1 82  ? 155.427 170.609 152.657 1.00 63.35  ? 82  VAL C CG2 1 
ATOM 404 N N   . GLU A 1 83  ? 150.597 171.486 152.652 1.00 69.02  ? 83  GLU C N   1 
ATOM 405 C CA  . GLU A 1 83  ? 149.187 171.196 153.014 1.00 72.46  ? 83  GLU C CA  1 
ATOM 406 C C   . GLU A 1 83  ? 148.732 169.890 152.360 1.00 69.52  ? 83  GLU C C   1 
ATOM 407 O O   . GLU A 1 83  ? 148.983 169.705 151.150 1.00 69.27  ? 83  GLU C O   1 
ATOM 408 C CB  . GLU A 1 83  ? 148.289 172.348 152.567 1.00 67.81  ? 83  GLU C CB  1 
ATOM 409 C CG  . GLU A 1 83  ? 146.896 172.301 153.187 1.00 67.73  ? 83  GLU C CG  1 
ATOM 410 C CD  . GLU A 1 83  ? 146.012 173.461 152.769 1.00 77.27  ? 83  GLU C CD  1 
ATOM 411 O OE1 . GLU A 1 83  ? 146.497 174.611 152.801 1.00 78.50  ? 83  GLU C OE1 1 
ATOM 412 O OE2 . GLU A 1 83  ? 144.842 173.214 152.410 1.00 76.55  ? 83  GLU C OE2 1 
ATOM 413 N N   . GLY A 1 84  ? 148.072 169.034 153.136 1.00 64.56  ? 84  GLY C N   1 
ATOM 414 C CA  . GLY A 1 84  ? 147.571 167.776 152.620 1.00 59.79  ? 84  GLY C CA  1 
ATOM 415 C C   . GLY A 1 84  ? 147.557 166.692 153.677 1.00 66.07  ? 84  GLY C C   1 
ATOM 416 O O   . GLY A 1 84  ? 148.531 166.529 154.418 1.00 66.74  ? 84  GLY C O   1 
ATOM 417 N N   . ALA A 1 85  ? 146.461 165.942 153.756 1.00 65.86  ? 85  ALA C N   1 
ATOM 418 C CA  . ALA A 1 85  ? 146.313 164.938 154.800 1.00 63.61  ? 85  ALA C CA  1 
ATOM 419 C C   . ALA A 1 85  ? 147.241 163.756 154.548 1.00 65.11  ? 85  ALA C C   1 
ATOM 420 O O   . ALA A 1 85  ? 147.294 163.219 153.438 1.00 66.10  ? 85  ALA C O   1 
ATOM 421 C CB  . ALA A 1 85  ? 144.864 164.465 154.877 1.00 62.99  ? 85  ALA C CB  1 
ATOM 422 N N   . GLY A 1 86  ? 147.971 163.351 155.585 1.00 57.46  ? 86  GLY C N   1 
ATOM 423 C CA  . GLY A 1 86  ? 148.849 162.203 155.481 1.00 57.16  ? 86  GLY C CA  1 
ATOM 424 C C   . GLY A 1 86  ? 150.078 162.415 154.631 1.00 61.90  ? 86  GLY C C   1 
ATOM 425 O O   . GLY A 1 86  ? 150.724 161.440 154.241 1.00 58.08  ? 86  GLY C O   1 
ATOM 426 N N   . SER A 1 87  ? 150.425 163.663 154.335 1.00 66.35  ? 87  SER C N   1 
ATOM 427 C CA  . SER A 1 87  ? 151.558 163.952 153.473 1.00 59.97  ? 87  SER C CA  1 
ATOM 428 C C   . SER A 1 87  ? 152.866 163.886 154.258 1.00 59.12  ? 87  SER C C   1 
ATOM 429 O O   . SER A 1 87  ? 152.887 163.747 155.483 1.00 60.90  ? 87  SER C O   1 
ATOM 430 C CB  . SER A 1 87  ? 151.395 165.326 152.825 1.00 57.84  ? 87  SER C CB  1 
ATOM 431 O OG  . SER A 1 87  ? 150.738 166.225 153.700 1.00 59.13  ? 87  SER C OG  1 
ATOM 432 N N   . ILE A 1 88  ? 153.973 163.980 153.526 1.00 55.32  ? 88  ILE C N   1 
ATOM 433 C CA  . ILE A 1 88  ? 155.311 164.006 154.104 1.00 54.79  ? 88  ILE C CA  1 
ATOM 434 C C   . ILE A 1 88  ? 156.055 165.188 153.502 1.00 53.73  ? 88  ILE C C   1 
ATOM 435 O O   . ILE A 1 88  ? 156.168 165.293 152.275 1.00 62.03  ? 88  ILE C O   1 
ATOM 436 C CB  . ILE A 1 88  ? 156.076 162.697 153.851 1.00 51.42  ? 88  ILE C CB  1 
ATOM 437 C CG1 . ILE A 1 88  ? 155.392 161.535 154.573 1.00 48.04  ? 88  ILE C CG1 1 
ATOM 438 C CG2 . ILE A 1 88  ? 157.519 162.832 154.304 1.00 50.25  ? 88  ILE C CG2 1 
ATOM 439 C CD1 . ILE A 1 88  ? 154.522 160.686 153.678 1.00 55.51  ? 88  ILE C CD1 1 
ATOM 440 N N   . ALA A 1 89  ? 156.564 166.073 154.360 1.00 57.55  ? 89  ALA C N   1 
ATOM 441 C CA  . ALA A 1 89  ? 157.237 167.276 153.879 1.00 53.30  ? 89  ALA C CA  1 
ATOM 442 C C   . ALA A 1 89  ? 158.659 166.973 153.420 1.00 53.06  ? 89  ALA C C   1 
ATOM 443 O O   . ALA A 1 89  ? 158.989 167.128 152.240 1.00 65.49  ? 89  ALA C O   1 
ATOM 444 C CB  . ALA A 1 89  ? 157.240 168.347 154.972 1.00 63.70  ? 89  ALA C CB  1 
ATOM 445 N N   . ALA A 1 90  ? 159.488 166.473 154.342 1.00 51.64  ? 90  ALA C N   1 
ATOM 446 C CA  . ALA A 1 90  ? 160.866 166.065 153.971 1.00 49.91  ? 90  ALA C CA  1 
ATOM 447 C C   . ALA A 1 90  ? 161.040 164.573 154.265 1.00 53.70  ? 90  ALA C C   1 
ATOM 448 O O   . ALA A 1 90  ? 160.925 164.180 155.446 1.00 68.96  ? 90  ALA C O   1 
ATOM 449 C CB  . ALA A 1 90  ? 161.876 166.902 154.723 1.00 57.56  ? 90  ALA C CB  1 
ATOM 450 N N   . ALA A 1 91  ? 161.302 163.765 153.232 1.00 61.43  ? 91  ALA C N   1 
ATOM 451 C CA  . ALA A 1 91  ? 161.415 162.297 153.421 1.00 68.09  ? 91  ALA C CA  1 
ATOM 452 C C   . ALA A 1 91  ? 162.864 161.844 153.225 1.00 71.93  ? 91  ALA C C   1 
ATOM 453 O O   . ALA A 1 91  ? 163.096 160.876 152.468 1.00 77.98  ? 91  ALA C O   1 
ATOM 454 C CB  . ALA A 1 91  ? 160.483 161.584 152.467 1.00 73.71  ? 91  ALA C CB  1 
ATOM 455 N N   . THR A 1 92  ? 163.809 162.513 153.890 1.00 65.32  ? 92  THR C N   1 
ATOM 456 C CA  . THR A 1 92  ? 165.231 162.114 153.799 1.00 62.66  ? 92  THR C CA  1 
ATOM 457 C C   . THR A 1 92  ? 165.453 160.898 154.672 1.00 64.52  ? 92  THR C C   1 
ATOM 458 O O   . THR A 1 92  ? 164.773 160.791 155.717 1.00 72.41  ? 92  THR C O   1 
ATOM 459 C CB  . THR A 1 92  ? 166.117 163.287 154.216 1.00 64.35  ? 92  THR C CB  1 
ATOM 460 O OG1 . THR A 1 92  ? 166.117 163.271 155.639 1.00 76.50  ? 92  THR C OG1 1 
ATOM 461 C CG2 . THR A 1 92  ? 165.589 164.618 153.715 1.00 64.54  ? 92  THR C CG2 1 
ATOM 462 N N   . GLY A 1 93  ? 166.369 160.009 154.273 1.00 63.16  ? 93  GLY C N   1 
ATOM 463 C CA  . GLY A 1 93  ? 166.615 158.801 155.035 1.00 63.88  ? 93  GLY C CA  1 
ATOM 464 C C   . GLY A 1 93  ? 165.370 158.080 155.492 1.00 62.42  ? 93  GLY C C   1 
ATOM 465 O O   . GLY A 1 93  ? 165.417 157.347 156.482 1.00 60.83  ? 93  GLY C O   1 
ATOM 466 N N   . PHE A 1 94  ? 164.252 158.267 154.798 1.00 65.84  ? 94  PHE C N   1 
ATOM 467 C CA  . PHE A 1 94  ? 162.990 157.662 155.195 1.00 62.16  ? 94  PHE C CA  1 
ATOM 468 C C   . PHE A 1 94  ? 162.879 156.244 154.652 1.00 60.36  ? 94  PHE C C   1 
ATOM 469 O O   . PHE A 1 94  ? 163.280 155.963 153.520 1.00 67.12  ? 94  PHE C O   1 
ATOM 470 C CB  . PHE A 1 94  ? 161.823 158.508 154.688 1.00 65.42  ? 94  PHE C CB  1 
ATOM 471 C CG  . PHE A 1 94  ? 160.586 158.414 155.532 1.00 64.80  ? 94  PHE C CG  1 
ATOM 472 C CD1 . PHE A 1 94  ? 159.766 157.302 155.466 1.00 63.39  ? 94  PHE C CD1 1 
ATOM 473 C CD2 . PHE A 1 94  ? 160.235 159.447 156.383 1.00 67.66  ? 94  PHE C CD2 1 
ATOM 474 C CE1 . PHE A 1 94  ? 158.625 157.219 156.238 1.00 63.72  ? 94  PHE C CE1 1 
ATOM 475 C CE2 . PHE A 1 94  ? 159.095 159.369 157.157 1.00 66.75  ? 94  PHE C CE2 1 
ATOM 476 C CZ  . PHE A 1 94  ? 158.290 158.254 157.084 1.00 64.80  ? 94  PHE C CZ  1 
ATOM 477 N N   . VAL A 1 95  ? 162.332 155.349 155.471 1.00 55.32  ? 95  VAL C N   1 
ATOM 478 C CA  . VAL A 1 95  ? 162.049 153.971 155.077 1.00 61.34  ? 95  VAL C CA  1 
ATOM 479 C C   . VAL A 1 95  ? 160.603 153.699 155.470 1.00 58.15  ? 95  VAL C C   1 
ATOM 480 O O   . VAL A 1 95  ? 160.304 153.476 156.648 1.00 63.28  ? 95  VAL C O   1 
ATOM 481 C CB  . VAL A 1 95  ? 162.998 152.961 155.732 1.00 60.75  ? 95  VAL C CB  1 
ATOM 482 C CG1 . VAL A 1 95  ? 162.625 151.547 155.324 1.00 56.13  ? 95  VAL C CG1 1 
ATOM 483 C CG2 . VAL A 1 95  ? 164.438 153.260 155.359 1.00 62.29  ? 95  VAL C CG2 1 
ATOM 484 N N   . LYS A 1 96  ? 159.702 153.717 154.493 1.00 65.17  ? 96  LYS C N   1 
ATOM 485 C CA  . LYS A 1 96  ? 158.278 153.513 154.728 1.00 66.63  ? 96  LYS C CA  1 
ATOM 486 C C   . LYS A 1 96  ? 157.896 152.113 154.268 1.00 70.49  ? 96  LYS C C   1 
ATOM 487 O O   . LYS A 1 96  ? 158.013 151.793 153.080 1.00 74.38  ? 96  LYS C O   1 
ATOM 488 C CB  . LYS A 1 96  ? 157.446 154.567 153.999 1.00 70.55  ? 96  LYS C CB  1 
ATOM 489 C CG  . LYS A 1 96  ? 155.978 154.561 154.378 1.00 69.22  ? 96  LYS C CG  1 
ATOM 490 C CD  . LYS A 1 96  ? 155.250 155.758 153.795 1.00 70.21  ? 96  LYS C CD  1 
ATOM 491 C CE  . LYS A 1 96  ? 153.776 155.733 154.158 1.00 70.74  ? 96  LYS C CE  1 
ATOM 492 N NZ  . LYS A 1 96  ? 153.055 156.928 153.641 1.00 68.80  ? 96  LYS C NZ  1 
ATOM 493 N N   . LYS A 1 97  ? 157.440 151.288 155.206 1.00 66.99  ? 97  LYS C N   1 
ATOM 494 C CA  . LYS A 1 97  ? 157.056 149.903 154.950 1.00 69.55  ? 97  LYS C CA  1 
ATOM 495 C C   . LYS A 1 97  ? 155.693 149.613 155.562 1.00 71.79  ? 97  LYS C C   1 
ATOM 496 O O   . LYS A 1 97  ? 155.493 148.620 156.264 1.00 75.19  ? 97  LYS C O   1 
ATOM 497 C CB  . LYS A 1 97  ? 158.108 148.937 155.489 1.00 72.42  ? 97  LYS C CB  1 
ATOM 498 C CG  . LYS A 1 97  ? 159.500 149.152 154.920 1.00 71.61  ? 97  LYS C CG  1 
ATOM 499 C CD  . LYS A 1 97  ? 160.173 147.834 154.584 1.00 74.97  ? 97  LYS C CD  1 
ATOM 500 C CE  . LYS A 1 97  ? 161.212 148.013 153.490 1.00 72.28  ? 97  LYS C CE  1 
ATOM 501 N NZ  . LYS A 1 97  ? 162.409 147.155 153.708 1.00 73.80  ? 97  LYS C NZ  1 
ATOM 502 N N   . ASP A 1 98  ? 154.734 150.497 155.301 1.00 81.43  ? 98  ASP C N   1 
ATOM 503 C CA  . ASP A 1 98  ? 153.403 150.359 155.873 1.00 85.95  ? 98  ASP C CA  1 
ATOM 504 C C   . ASP A 1 98  ? 152.708 149.106 155.351 1.00 85.44  ? 98  ASP C C   1 
ATOM 505 O O   . ASP A 1 98  ? 152.963 148.641 154.237 1.00 85.94  ? 98  ASP C O   1 
ATOM 506 C CB  . ASP A 1 98  ? 152.556 151.592 155.558 1.00 82.89  ? 98  ASP C CB  1 
ATOM 507 C CG  . ASP A 1 98  ? 152.939 152.790 156.400 1.00 87.82  ? 98  ASP C CG  1 
ATOM 508 O OD1 . ASP A 1 98  ? 153.975 152.723 157.093 1.00 91.99  ? 98  ASP C OD1 1 
ATOM 509 O OD2 . ASP A 1 98  ? 152.204 153.799 156.371 1.00 90.39  ? 98  ASP C OD2 1 
ATOM 510 N N   . GLN A 1 99  ? 151.820 148.557 156.179 1.00 89.21  ? 99  GLN C N   1 
ATOM 511 C CA  . GLN A 1 99  ? 151.068 147.364 155.814 1.00 89.63  ? 99  GLN C CA  1 
ATOM 512 C C   . GLN A 1 99  ? 149.572 147.609 155.956 1.00 89.63  ? 99  GLN C C   1 
ATOM 513 O O   . GLN A 1 99  ? 149.142 148.743 156.191 1.00 86.99  ? 99  GLN C O   1 
ATOM 514 C CB  . GLN A 1 99  ? 151.493 146.173 156.675 1.00 87.40  ? 99  GLN C CB  1 
ATOM 515 C CG  . GLN A 1 99  ? 152.996 145.930 156.728 1.00 86.55  ? 99  GLN C CG  1 
ATOM 516 C CD  . GLN A 1 99  ? 153.526 145.236 155.486 1.00 89.72  ? 99  GLN C CD  1 
ATOM 517 O OE1 . GLN A 1 99  ? 153.839 144.046 155.515 1.00 90.15  ? 99  GLN C OE1 1 
ATOM 518 N NE2 . GLN A 1 99  ? 153.641 145.980 154.393 1.00 90.98  ? 99  GLN C NE2 1 
ATOM 519 N N   . LEU A 1 100 ? 148.775 146.556 155.812 1.00 101.54 ? 100 LEU C N   1 
ATOM 520 C CA  . LEU A 1 100 ? 147.329 146.664 155.961 1.00 102.33 ? 100 LEU C CA  1 
ATOM 521 C C   . LEU A 1 100 ? 146.794 145.558 156.864 1.00 100.62 ? 100 LEU C C   1 
ATOM 522 O O   . LEU A 1 100 ? 147.012 144.374 156.606 1.00 100.00 ? 100 LEU C O   1 
ATOM 523 C CB  . LEU A 1 100 ? 146.641 146.609 154.596 1.00 100.83 ? 100 LEU C CB  1 
ATOM 524 C CG  . LEU A 1 100 ? 145.617 147.709 154.309 1.00 101.86 ? 100 LEU C CG  1 
ATOM 525 C CD1 . LEU A 1 100 ? 146.254 149.085 154.436 1.00 99.79  ? 100 LEU C CD1 1 
ATOM 526 C CD2 . LEU A 1 100 ? 145.001 147.524 152.931 1.00 101.49 ? 100 LEU C CD2 1 
# 
