data_9E7C
# 
_entry.id   9E7C 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_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   9E7C         pdb_00009e7c 10.2210/pdb9e7c/pdb 
WWPDB D_1000289453 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2024-11-20 
2 'Structure model' 1 1 2024-12-04 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    2 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            citation 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.pdbx_database_id_PubMed' 
2 2 'Structure model' '_citation.title'                   
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9E7C 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-01 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 5 
_pdbx_contact_author.email              audhya@wisc.edu 
_pdbx_contact_author.name_first         Anjon 
_pdbx_contact_author.name_last          Audhya 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-7828-5152 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Schuh, A.L.'       1 0009-0002-3946-4227 
'Bhattacharyya, B.' 2 0000-0002-6366-0511 
'Keck, J.L.'        3 0000-0002-5961-0220 
'Audhya, A.'        4 0000-0002-7828-5152 
# 
_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            Biorxiv 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2692-8205 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Multiple roles for TFG ring complexes in neuronal cargo trafficking.' 
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1101/2024.11.05.621662 
_citation.pdbx_database_id_PubMed   39574627 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Zhang, Z.'         1  ? 
primary 'Lettman, M.M.'     2  ? 
primary 'Schuh, A.L.'       3  ? 
primary 'Bhattacharyya, B.' 4  ? 
primary 'Randolph, P.'      5  ? 
primary 'Nandakumar, T.'    6  ? 
primary 'Kulkarni, I.'      7  ? 
primary 'Roach, A.'         8  ? 
primary 'Alvin, J.R.'       9  ? 
primary 'Gengler, D.'       10 ? 
primary 'Stagg, S.M.'       11 ? 
primary 'Keck, J.L.'        12 ? 
primary 'Audhya, A.'        13 ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer man 'Protein TFG' 11404.229 1  ? 'D60A, D62R' ? 
;The first 9 N-terminal amino acids of TFG as well as the GST protein purification tag were not well resolved in the diffraction data and therefore not included in the final structure.
;
2 water   nat water         18.015    51 ? ?            ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'TRK-fused gene protein' 
# 
_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       
;GPLGSMNGQLDLSGKLIIKAQLGEDIRRIPIHNEDITYDELVLMMQRVFRGKLLSNDEVTIKYKAERGDLITIFDSSDLS
FAIQCSRILKLTLFVNGQPRP
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GPLGSMNGQLDLSGKLIIKAQLGEDIRRIPIHNEDITYDELVLMMQRVFRGKLLSNDEVTIKYKAERGDLITIFDSSDLS
FAIQCSRILKLTLFVNGQPRP
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   PRO n 
1 3   LEU n 
1 4   GLY n 
1 5   SER n 
1 6   MET n 
1 7   ASN n 
1 8   GLY n 
1 9   GLN n 
1 10  LEU n 
1 11  ASP n 
1 12  LEU n 
1 13  SER n 
1 14  GLY n 
1 15  LYS n 
1 16  LEU n 
1 17  ILE n 
1 18  ILE n 
1 19  LYS n 
1 20  ALA n 
1 21  GLN n 
1 22  LEU n 
1 23  GLY n 
1 24  GLU n 
1 25  ASP n 
1 26  ILE n 
1 27  ARG n 
1 28  ARG n 
1 29  ILE n 
1 30  PRO n 
1 31  ILE n 
1 32  HIS n 
1 33  ASN n 
1 34  GLU n 
1 35  ASP n 
1 36  ILE n 
1 37  THR n 
1 38  TYR n 
1 39  ASP n 
1 40  GLU n 
1 41  LEU n 
1 42  VAL n 
1 43  LEU n 
1 44  MET n 
1 45  MET n 
1 46  GLN n 
1 47  ARG n 
1 48  VAL n 
1 49  PHE n 
1 50  ARG n 
1 51  GLY n 
1 52  LYS n 
1 53  LEU n 
1 54  LEU n 
1 55  SER n 
1 56  ASN n 
1 57  ASP n 
1 58  GLU n 
1 59  VAL n 
1 60  THR n 
1 61  ILE n 
1 62  LYS n 
1 63  TYR n 
1 64  LYS n 
1 65  ALA n 
1 66  GLU n 
1 67  ARG n 
1 68  GLY n 
1 69  ASP n 
1 70  LEU n 
1 71  ILE n 
1 72  THR n 
1 73  ILE n 
1 74  PHE n 
1 75  ASP n 
1 76  SER n 
1 77  SER n 
1 78  ASP n 
1 79  LEU n 
1 80  SER n 
1 81  PHE n 
1 82  ALA n 
1 83  ILE n 
1 84  GLN n 
1 85  CYS n 
1 86  SER n 
1 87  ARG n 
1 88  ILE n 
1 89  LEU n 
1 90  LYS n 
1 91  LEU n 
1 92  THR n 
1 93  LEU n 
1 94  PHE n 
1 95  VAL n 
1 96  ASN n 
1 97  GLY n 
1 98  GLN n 
1 99  PRO n 
1 100 ARG n 
1 101 PRO 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                   101 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 TFG 
_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                       pGEX6p-1 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   -4 ?  ?   ?   A . n 
A 1 2   PRO 2   -3 ?  ?   ?   A . n 
A 1 3   LEU 3   -2 ?  ?   ?   A . n 
A 1 4   GLY 4   -1 ?  ?   ?   A . n 
A 1 5   SER 5   0  ?  ?   ?   A . n 
A 1 6   MET 6   1  ?  ?   ?   A . n 
A 1 7   ASN 7   2  ?  ?   ?   A . n 
A 1 8   GLY 8   3  ?  ?   ?   A . n 
A 1 9   GLN 9   4  ?  ?   ?   A . n 
A 1 10  LEU 10  5  ?  ?   ?   A . n 
A 1 11  ASP 11  6  ?  ?   ?   A . n 
A 1 12  LEU 12  7  ?  ?   ?   A . n 
A 1 13  SER 13  8  ?  ?   ?   A . n 
A 1 14  GLY 14  9  ?  ?   ?   A . n 
A 1 15  LYS 15  10 10 LYS LYS A . n 
A 1 16  LEU 16  11 11 LEU LEU A . n 
A 1 17  ILE 17  12 12 ILE ILE A . n 
A 1 18  ILE 18  13 13 ILE ILE A . n 
A 1 19  LYS 19  14 14 LYS LYS A . n 
A 1 20  ALA 20  15 15 ALA ALA A . n 
A 1 21  GLN 21  16 16 GLN GLN A . n 
A 1 22  LEU 22  17 17 LEU LEU A . n 
A 1 23  GLY 23  18 18 GLY GLY A . n 
A 1 24  GLU 24  19 19 GLU GLU A . n 
A 1 25  ASP 25  20 20 ASP ASP A . n 
A 1 26  ILE 26  21 21 ILE ILE A . n 
A 1 27  ARG 27  22 22 ARG ARG A . n 
A 1 28  ARG 28  23 23 ARG ARG A . n 
A 1 29  ILE 29  24 24 ILE ILE A . n 
A 1 30  PRO 30  25 25 PRO PRO A . n 
A 1 31  ILE 31  26 26 ILE ILE A . n 
A 1 32  HIS 32  27 27 HIS HIS A . n 
A 1 33  ASN 33  28 28 ASN ASN A . n 
A 1 34  GLU 34  29 29 GLU GLU A . n 
A 1 35  ASP 35  30 30 ASP ASP A . n 
A 1 36  ILE 36  31 31 ILE ILE A . n 
A 1 37  THR 37  32 32 THR THR A . n 
A 1 38  TYR 38  33 33 TYR TYR A . n 
A 1 39  ASP 39  34 34 ASP ASP A . n 
A 1 40  GLU 40  35 35 GLU GLU A . n 
A 1 41  LEU 41  36 36 LEU LEU A . n 
A 1 42  VAL 42  37 37 VAL VAL A . n 
A 1 43  LEU 43  38 38 LEU LEU A . n 
A 1 44  MET 44  39 39 MET MET A . n 
A 1 45  MET 45  40 40 MET MET A . n 
A 1 46  GLN 46  41 41 GLN GLN A . n 
A 1 47  ARG 47  42 42 ARG ARG A . n 
A 1 48  VAL 48  43 43 VAL VAL A . n 
A 1 49  PHE 49  44 44 PHE PHE A . n 
A 1 50  ARG 50  45 45 ARG ARG A . n 
A 1 51  GLY 51  46 46 GLY GLY A . n 
A 1 52  LYS 52  47 47 LYS LYS A . n 
A 1 53  LEU 53  48 48 LEU LEU A . n 
A 1 54  LEU 54  49 49 LEU LEU A . n 
A 1 55  SER 55  50 50 SER SER A . n 
A 1 56  ASN 56  51 51 ASN ASN A . n 
A 1 57  ASP 57  52 52 ASP ASP A . n 
A 1 58  GLU 58  53 53 GLU GLU A . n 
A 1 59  VAL 59  54 54 VAL VAL A . n 
A 1 60  THR 60  55 55 THR THR A . n 
A 1 61  ILE 61  56 56 ILE ILE A . n 
A 1 62  LYS 62  57 57 LYS LYS A . n 
A 1 63  TYR 63  58 58 TYR TYR A . n 
A 1 64  LYS 64  59 59 LYS LYS A . n 
A 1 65  ALA 65  60 60 ALA ALA A . n 
A 1 66  GLU 66  61 61 GLU GLU A . n 
A 1 67  ARG 67  62 62 ARG ARG A . n 
A 1 68  GLY 68  63 63 GLY GLY A . n 
A 1 69  ASP 69  64 64 ASP ASP A . n 
A 1 70  LEU 70  65 65 LEU LEU A . n 
A 1 71  ILE 71  66 66 ILE ILE A . n 
A 1 72  THR 72  67 67 THR THR A . n 
A 1 73  ILE 73  68 68 ILE ILE A . n 
A 1 74  PHE 74  69 69 PHE PHE A . n 
A 1 75  ASP 75  70 70 ASP ASP A . n 
A 1 76  SER 76  71 71 SER SER A . n 
A 1 77  SER 77  72 72 SER SER A . n 
A 1 78  ASP 78  73 73 ASP ASP A . n 
A 1 79  LEU 79  74 74 LEU LEU A . n 
A 1 80  SER 80  75 75 SER SER A . n 
A 1 81  PHE 81  76 76 PHE PHE A . n 
A 1 82  ALA 82  77 77 ALA ALA A . n 
A 1 83  ILE 83  78 78 ILE ILE A . n 
A 1 84  GLN 84  79 79 GLN GLN A . n 
A 1 85  CYS 85  80 80 CYS CYS A . n 
A 1 86  SER 86  81 81 SER SER A . n 
A 1 87  ARG 87  82 82 ARG ARG A . n 
A 1 88  ILE 88  83 83 ILE ILE A . n 
A 1 89  LEU 89  84 84 LEU LEU A . n 
A 1 90  LYS 90  85 85 LYS LYS A . n 
A 1 91  LEU 91  86 86 LEU LEU A . n 
A 1 92  THR 92  87 87 THR THR A . n 
A 1 93  LEU 93  88 88 LEU LEU A . n 
A 1 94  PHE 94  89 89 PHE PHE A . n 
A 1 95  VAL 95  90 90 VAL VAL A . n 
A 1 96  ASN 96  91 91 ASN ASN A . n 
A 1 97  GLY 97  92 92 GLY GLY A . n 
A 1 98  GLN 98  93 93 GLN GLN A . n 
A 1 99  PRO 99  94 94 PRO PRO A . n 
A 1 100 ARG 100 95 95 ARG ARG A . n 
A 1 101 PRO 101 96 96 PRO PRO A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 HOH 1  101 45  HOH HOH A . 
B 2 HOH 2  102 98  HOH HOH A . 
B 2 HOH 3  103 101 HOH HOH A . 
B 2 HOH 4  104 60  HOH HOH A . 
B 2 HOH 5  105 20  HOH HOH A . 
B 2 HOH 6  106 17  HOH HOH A . 
B 2 HOH 7  107 23  HOH HOH A . 
B 2 HOH 8  108 71  HOH HOH A . 
B 2 HOH 9  109 38  HOH HOH A . 
B 2 HOH 10 110 13  HOH HOH A . 
B 2 HOH 11 111 42  HOH HOH A . 
B 2 HOH 12 112 36  HOH HOH A . 
B 2 HOH 13 113 58  HOH HOH A . 
B 2 HOH 14 114 15  HOH HOH A . 
B 2 HOH 15 115 53  HOH HOH A . 
B 2 HOH 16 116 6   HOH HOH A . 
B 2 HOH 17 117 7   HOH HOH A . 
B 2 HOH 18 118 1   HOH HOH A . 
B 2 HOH 19 119 9   HOH HOH A . 
B 2 HOH 20 120 5   HOH HOH A . 
B 2 HOH 21 121 86  HOH HOH A . 
B 2 HOH 22 122 16  HOH HOH A . 
B 2 HOH 23 123 11  HOH HOH A . 
B 2 HOH 24 124 72  HOH HOH A . 
B 2 HOH 25 125 25  HOH HOH A . 
B 2 HOH 26 126 59  HOH HOH A . 
B 2 HOH 27 127 31  HOH HOH A . 
B 2 HOH 28 128 30  HOH HOH A . 
B 2 HOH 29 129 34  HOH HOH A . 
B 2 HOH 30 130 100 HOH HOH A . 
B 2 HOH 31 131 12  HOH HOH A . 
B 2 HOH 32 132 8   HOH HOH A . 
B 2 HOH 33 133 87  HOH HOH A . 
B 2 HOH 34 134 99  HOH HOH A . 
B 2 HOH 35 135 4   HOH HOH A . 
B 2 HOH 36 136 39  HOH HOH A . 
B 2 HOH 37 137 2   HOH HOH A . 
B 2 HOH 38 138 3   HOH HOH A . 
B 2 HOH 39 139 14  HOH HOH A . 
B 2 HOH 40 140 76  HOH HOH A . 
B 2 HOH 41 141 95  HOH HOH A . 
B 2 HOH 42 142 41  HOH HOH A . 
B 2 HOH 43 143 48  HOH HOH A . 
B 2 HOH 44 144 68  HOH HOH A . 
B 2 HOH 45 145 67  HOH HOH A . 
B 2 HOH 46 146 49  HOH HOH A . 
B 2 HOH 47 147 73  HOH HOH A . 
B 2 HOH 48 148 22  HOH HOH A . 
B 2 HOH 49 149 66  HOH HOH A . 
B 2 HOH 50 150 43  HOH HOH A . 
B 2 HOH 51 151 18  HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0049 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? HKL-3000 ? ? ? .        2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-3000 ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   104.80 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9E7C 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     107.018 
_cell.length_a_esd                 ? 
_cell.length_b                     32.488 
_cell.length_b_esd                 ? 
_cell.length_c                     29.246 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_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                         9E7C 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                5 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'C 1 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9E7C 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.16 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          42.93 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              8.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.1M Tris-HCl pH 8.5, 8% PEG 8000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            277 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     203 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'MARMOSAIC 225 mm CCD' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2013-12-01 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    'C(111)' 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97872 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'APS BEAMLINE 21-ID-F' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97872 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   21-ID-F 
_diffrn_source.pdbx_synchrotron_site       APS 
# 
_reflns.B_iso_Wilson_estimate                          35.1 
_reflns.entry_id                                       9E7C 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.906 
_reflns.d_resolution_low                               51.73 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     7690 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.4 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                7.2 
_reflns.pdbx_netI_over_av_sigmaI                       26.9 
_reflns.pdbx_netI_over_sigmaI                          7.9 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.873 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.076 
_reflns.pdbx_Rpim_I_all                                0.028 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                0.071 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_percent_possible_ellipsoidal 
_reflns_shell.pdbx_percent_possible_spherical 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous 
_reflns_shell.pdbx_percent_possible_spherical_anomalous 
_reflns_shell.pdbx_redundancy_anomalous 
_reflns_shell.pdbx_CC_half_anomalous 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous 
_reflns_shell.pdbx_percent_possible_anomalous 
1.91 1.94  ? ? ? ? ? ? 342 ? ? ? ? ? ? ? ? ? ? ? 6.1 0.540 ? ? 0.582 0.224 ? 1  1 0.890 0.970 ? 94.0  ? 0.536 ? ? ? ? ? ? ? ? ? 
1.94 1.98  ? ? ? ? ? ? 368 ? ? ? ? ? ? ? ? ? ? ? 5.9 0.569 ? ? 0.449 0.177 ? 2  1 0.948 0.987 ? 96.1  ? 0.411 ? ? ? ? ? ? ? ? ? 
1.98 2.02  ? ? ? ? ? ? 379 ? ? ? ? ? ? ? ? ? ? ? 6.6 0.562 ? ? 0.381 0.144 ? 3  1 0.956 0.989 ? 98.4  ? 0.351 ? ? ? ? ? ? ? ? ? 
2.02 2.06  ? ? ? ? ? ? 368 ? ? ? ? ? ? ? ? ? ? ? 6.9 0.611 ? ? 0.369 0.138 ? 4  1 0.963 0.990 ? 99.2  ? 0.341 ? ? ? ? ? ? ? ? ? 
2.06 2.10  ? ? ? ? ? ? 402 ? ? ? ? ? ? ? ? ? ? ? 7.1 0.580 ? ? 0.294 0.110 ? 5  1 0.979 0.995 ? 99.8  ? 0.273 ? ? ? ? ? ? ? ? ? 
2.10 2.15  ? ? ? ? ? ? 371 ? ? ? ? ? ? ? ? ? ? ? 7.3 0.609 ? ? 0.260 0.095 ? 6  1 0.985 0.996 ? 100.0 ? 0.242 ? ? ? ? ? ? ? ? ? 
2.15 2.20  ? ? ? ? ? ? 390 ? ? ? ? ? ? ? ? ? ? ? 7.5 0.684 ? ? 0.225 0.082 ? 7  1 0.983 0.996 ? 100.0 ? 0.209 ? ? ? ? ? ? ? ? ? 
2.20 2.26  ? ? ? ? ? ? 386 ? ? ? ? ? ? ? ? ? ? ? 7.4 0.660 ? ? 0.184 0.067 ? 8  1 0.989 0.997 ? 100.0 ? 0.171 ? ? ? ? ? ? ? ? ? 
2.26 2.33  ? ? ? ? ? ? 383 ? ? ? ? ? ? ? ? ? ? ? 7.6 0.679 ? ? 0.166 0.060 ? 9  1 0.990 0.997 ? 100.0 ? 0.155 ? ? ? ? ? ? ? ? ? 
2.33 2.41  ? ? ? ? ? ? 382 ? ? ? ? ? ? ? ? ? ? ? 7.5 0.702 ? ? 0.145 0.053 ? 10 1 0.994 0.999 ? 100.0 ? 0.135 ? ? ? ? ? ? ? ? ? 
2.41 2.49  ? ? ? ? ? ? 387 ? ? ? ? ? ? ? ? ? ? ? 7.5 0.684 ? ? 0.129 0.047 ? 11 1 0.996 0.999 ? 100.0 ? 0.120 ? ? ? ? ? ? ? ? ? 
2.49 2.59  ? ? ? ? ? ? 388 ? ? ? ? ? ? ? ? ? ? ? 7.5 0.723 ? ? 0.117 0.042 ? 12 1 0.995 0.999 ? 100.0 ? 0.109 ? ? ? ? ? ? ? ? ? 
2.59 2.71  ? ? ? ? ? ? 392 ? ? ? ? ? ? ? ? ? ? ? 7.5 0.761 ? ? 0.101 0.037 ? 13 1 0.996 0.999 ? 100.0 ? 0.094 ? ? ? ? ? ? ? ? ? 
2.71 2.85  ? ? ? ? ? ? 374 ? ? ? ? ? ? ? ? ? ? ? 7.5 0.838 ? ? 0.083 0.030 ? 14 1 0.998 0.999 ? 100.0 ? 0.077 ? ? ? ? ? ? ? ? ? 
2.85 3.03  ? ? ? ? ? ? 387 ? ? ? ? ? ? ? ? ? ? ? 7.5 1.038 ? ? 0.084 0.030 ? 15 1 0.996 0.999 ? 100.0 ? 0.078 ? ? ? ? ? ? ? ? ? 
3.03 3.27  ? ? ? ? ? ? 396 ? ? ? ? ? ? ? ? ? ? ? 7.5 1.438 ? ? 0.073 0.027 ? 16 1 0.998 0.999 ? 100.0 ? 0.068 ? ? ? ? ? ? ? ? ? 
3.27 3.59  ? ? ? ? ? ? 393 ? ? ? ? ? ? ? ? ? ? ? 7.5 1.900 ? ? 0.074 0.027 ? 17 1 0.997 0.999 ? 100.0 ? 0.069 ? ? ? ? ? ? ? ? ? 
3.59 4.11  ? ? ? ? ? ? 387 ? ? ? ? ? ? ? ? ? ? ? 7.5 1.590 ? ? 0.064 0.023 ? 18 1 0.998 0.999 ? 100.0 ? 0.059 ? ? ? ? ? ? ? ? ? 
4.11 5.18  ? ? ? ? ? ? 402 ? ? ? ? ? ? ? ? ? ? ? 7.4 0.993 ? ? 0.041 0.015 ? 19 1 0.999 1.000 ? 100.0 ? 0.038 ? ? ? ? ? ? ? ? ? 
5.18 50.00 ? ? ? ? ? ? 413 ? ? ? ? ? ? ? ? ? ? ? 7.0 0.965 ? ? 0.033 0.013 ? 20 1 0.999 1.000 ? 99.8  ? 0.031 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            -1.83 
_refine.aniso_B[1][2]                            0.00 
_refine.aniso_B[1][3]                            -0.67 
_refine.aniso_B[2][2]                            2.64 
_refine.aniso_B[2][3]                            0.00 
_refine.aniso_B[3][3]                            -0.41 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               34.708 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.946 
_refine.correlation_coeff_Fo_to_Fc_free          0.930 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9E7C 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.906 
_refine.ls_d_res_low                             51.73 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     7337 
_refine.ls_number_reflns_R_free                  352 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.12 
_refine.ls_percent_reflns_R_free                 4.6 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.21555 
_refine.ls_R_factor_R_free                       0.25406 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.21369 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.175 
_refine.pdbx_overall_ESU_R_Free                  0.159 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             4.496 
_refine.overall_SU_ML                            0.130 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.906 
_refine_hist.d_res_low                        51.73 
_refine_hist.number_atoms_solvent             51 
_refine_hist.number_atoms_total               758 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        707 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.010  0.019  723  ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  735  ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.342  1.996  974  ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 0.749  3.000  1690 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 5.918  5.000  88   ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 37.044 23.636 33   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 12.902 15.000 145  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 12.960 15.000 7    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.073  0.200  114  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.005  0.020  798  ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  159  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 2.876  3.144  352  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 2.866  3.136  351  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 5.019  4.687  440  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 5.018  4.695  441  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 2.896  3.700  371  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 2.889  3.698  371  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 5.039  5.355  534  ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 8.606  25.074 796  ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 8.505  24.878 777  ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.906 
_refine_ls_shell.d_res_low                        1.955 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             19 
_refine_ls_shell.number_reflns_R_work             492 
_refine_ls_shell.percent_reflns_obs               91.74 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.244 
_refine_ls_shell.redundancy_reflns_all            ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.wR_factor_all                    ? 
_refine_ls_shell.wR_factor_obs                    ? 
_refine_ls_shell.wR_factor_R_free                 ? 
_refine_ls_shell.wR_factor_R_work                 ? 
_refine_ls_shell.pdbx_R_complete                  ? 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
_refine_ls_shell.R_factor_R_free                  0.316 
# 
_struct.entry_id                     9E7C 
_struct.title                        'TRK-fused Gene (TFG) PB1 Domain D60A/D62R Variant' 
_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        9E7C 
_struct_keywords.text            'Type I/II PB1 domain, octamer, ubiquitin like beta-grasp fold, globular, PROTEIN TRANSPORT' 
_struct_keywords.pdbx_keywords   'PROTEIN TRANSPORT' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    TFG_HUMAN 
_struct_ref.pdbx_db_accession          Q92734 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MNGQLDLSGKLIIKAQLGEDIRRIPIHNEDITYDELVLMMQRVFRGKLLSNDEVTIKYKDEDGDLITIFDSSDLSFAIQC
SRILKLTLFVNGQPRP
;
_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              9E7C 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 6 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 101 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q92734 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  96 
_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       96 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9E7C GLY A 1  ? UNP Q92734 ?   ?  'expression tag'      -4 1 
1 9E7C PRO A 2  ? UNP Q92734 ?   ?  'expression tag'      -3 2 
1 9E7C LEU A 3  ? UNP Q92734 ?   ?  'expression tag'      -2 3 
1 9E7C GLY A 4  ? UNP Q92734 ?   ?  'expression tag'      -1 4 
1 9E7C SER A 5  ? UNP Q92734 ?   ?  'expression tag'      0  5 
1 9E7C ALA A 65 ? UNP Q92734 ASP 60 'engineered mutation' 60 6 
1 9E7C ARG A 67 ? UNP Q92734 ASP 62 'engineered mutation' 62 7 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 THR A 37 ? PHE A 49 ? THR A 32 PHE A 44 1 ? 13 
HELX_P HELX_P2 AA2 ARG A 50 ? LEU A 53 ? ARG A 45 LEU A 48 5 ? 4  
HELX_P HELX_P3 AA3 ASP A 75 ? CYS A 85 ? ASP A 70 CYS A 80 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 2 ? 
AA2 ? 2 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA2 1 2 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 16 ? LEU A 22 ? LEU A 11 LEU A 17 
AA1 2 ASP A 25 ? ILE A 31 ? ASP A 20 ILE A 26 
AA2 1 ILE A 61 ? LYS A 64 ? ILE A 56 LYS A 59 
AA2 2 LEU A 70 ? ILE A 73 ? LEU A 65 ILE A 68 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 18 ? N ILE A 13 O ILE A 29 ? O ILE A 24 
AA2 1 2 N ILE A 61 ? N ILE A 56 O ILE A 73 ? O ILE A 68 
# 
_pdbx_entry_details.entry_id                   9E7C 
_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_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY -4 ? A GLY 1  
2  1 Y 1 A PRO -3 ? A PRO 2  
3  1 Y 1 A LEU -2 ? A LEU 3  
4  1 Y 1 A GLY -1 ? A GLY 4  
5  1 Y 1 A SER 0  ? A SER 5  
6  1 Y 1 A MET 1  ? A MET 6  
7  1 Y 1 A ASN 2  ? A ASN 7  
8  1 Y 1 A GLY 3  ? A GLY 8  
9  1 Y 1 A GLN 4  ? A GLN 9  
10 1 Y 1 A LEU 5  ? A LEU 10 
11 1 Y 1 A ASP 6  ? A ASP 11 
12 1 Y 1 A LEU 7  ? A LEU 12 
13 1 Y 1 A SER 8  ? A SER 13 
14 1 Y 1 A GLY 9  ? A GLY 14 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
MET N    N N N 230 
MET CA   C N S 231 
MET C    C N N 232 
MET O    O N N 233 
MET CB   C N N 234 
MET CG   C N N 235 
MET SD   S N N 236 
MET CE   C N N 237 
MET OXT  O N N 238 
MET H    H N N 239 
MET H2   H N N 240 
MET HA   H N N 241 
MET HB2  H N N 242 
MET HB3  H N N 243 
MET HG2  H N N 244 
MET HG3  H N N 245 
MET HE1  H N N 246 
MET HE2  H N N 247 
MET HE3  H N N 248 
MET HXT  H N N 249 
PHE N    N N N 250 
PHE CA   C N S 251 
PHE C    C N N 252 
PHE O    O N N 253 
PHE CB   C N N 254 
PHE CG   C Y N 255 
PHE CD1  C Y N 256 
PHE CD2  C Y N 257 
PHE CE1  C Y N 258 
PHE CE2  C Y N 259 
PHE CZ   C Y N 260 
PHE OXT  O N N 261 
PHE H    H N N 262 
PHE H2   H N N 263 
PHE HA   H N N 264 
PHE HB2  H N N 265 
PHE HB3  H N N 266 
PHE HD1  H N N 267 
PHE HD2  H N N 268 
PHE HE1  H N N 269 
PHE HE2  H N N 270 
PHE HZ   H N N 271 
PHE HXT  H N N 272 
PRO N    N N N 273 
PRO CA   C N S 274 
PRO C    C N N 275 
PRO O    O N N 276 
PRO CB   C N N 277 
PRO CG   C N N 278 
PRO CD   C N N 279 
PRO OXT  O N N 280 
PRO H    H N N 281 
PRO HA   H N N 282 
PRO HB2  H N N 283 
PRO HB3  H N N 284 
PRO HG2  H N N 285 
PRO HG3  H N N 286 
PRO HD2  H N N 287 
PRO HD3  H N N 288 
PRO HXT  H N N 289 
SER N    N N N 290 
SER CA   C N S 291 
SER C    C N N 292 
SER O    O N N 293 
SER CB   C N N 294 
SER OG   O N N 295 
SER OXT  O N N 296 
SER H    H N N 297 
SER H2   H N N 298 
SER HA   H N N 299 
SER HB2  H N N 300 
SER HB3  H N N 301 
SER HG   H N N 302 
SER HXT  H N N 303 
THR N    N N N 304 
THR CA   C N S 305 
THR C    C N N 306 
THR O    O N N 307 
THR CB   C N R 308 
THR OG1  O N N 309 
THR CG2  C N N 310 
THR OXT  O N N 311 
THR H    H N N 312 
THR H2   H N N 313 
THR HA   H N N 314 
THR HB   H N N 315 
THR HG1  H N N 316 
THR HG21 H N N 317 
THR HG22 H N N 318 
THR HG23 H N N 319 
THR HXT  H N N 320 
TYR N    N N N 321 
TYR CA   C N S 322 
TYR C    C N N 323 
TYR O    O N N 324 
TYR CB   C N N 325 
TYR CG   C Y N 326 
TYR CD1  C Y N 327 
TYR CD2  C Y N 328 
TYR CE1  C Y N 329 
TYR CE2  C Y N 330 
TYR CZ   C Y N 331 
TYR OH   O N N 332 
TYR OXT  O N N 333 
TYR H    H N N 334 
TYR H2   H N N 335 
TYR HA   H N N 336 
TYR HB2  H N N 337 
TYR HB3  H N N 338 
TYR HD1  H N N 339 
TYR HD2  H N N 340 
TYR HE1  H N N 341 
TYR HE2  H N N 342 
TYR HH   H N N 343 
TYR HXT  H N N 344 
VAL N    N N N 345 
VAL CA   C N S 346 
VAL C    C N N 347 
VAL O    O N N 348 
VAL CB   C N N 349 
VAL CG1  C N N 350 
VAL CG2  C N N 351 
VAL OXT  O N N 352 
VAL H    H N N 353 
VAL H2   H N N 354 
VAL HA   H N N 355 
VAL HB   H N N 356 
VAL HG11 H N N 357 
VAL HG12 H N N 358 
VAL HG13 H N N 359 
VAL HG21 H N N 360 
VAL HG22 H N N 361 
VAL HG23 H N N 362 
VAL HXT  H N N 363 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TYR N   CA   sing N N 306 
TYR N   H    sing N N 307 
TYR N   H2   sing N N 308 
TYR CA  C    sing N N 309 
TYR CA  CB   sing N N 310 
TYR CA  HA   sing N N 311 
TYR C   O    doub N N 312 
TYR C   OXT  sing N N 313 
TYR CB  CG   sing N N 314 
TYR CB  HB2  sing N N 315 
TYR CB  HB3  sing N N 316 
TYR CG  CD1  doub Y N 317 
TYR CG  CD2  sing Y N 318 
TYR CD1 CE1  sing Y N 319 
TYR CD1 HD1  sing N N 320 
TYR CD2 CE2  doub Y N 321 
TYR CD2 HD2  sing N N 322 
TYR CE1 CZ   doub Y N 323 
TYR CE1 HE1  sing N N 324 
TYR CE2 CZ   sing Y N 325 
TYR CE2 HE2  sing N N 326 
TYR CZ  OH   sing N N 327 
TYR OH  HH   sing N N 328 
TYR OXT HXT  sing N N 329 
VAL N   CA   sing N N 330 
VAL N   H    sing N N 331 
VAL N   H2   sing N N 332 
VAL CA  C    sing N N 333 
VAL CA  CB   sing N N 334 
VAL CA  HA   sing N N 335 
VAL C   O    doub N N 336 
VAL C   OXT  sing N N 337 
VAL CB  CG1  sing N N 338 
VAL CB  CG2  sing N N 339 
VAL CB  HB   sing N N 340 
VAL CG1 HG11 sing N N 341 
VAL CG1 HG12 sing N N 342 
VAL CG1 HG13 sing N N 343 
VAL CG2 HG21 sing N N 344 
VAL CG2 HG22 sing N N 345 
VAL CG2 HG23 sing N N 346 
VAL OXT HXT  sing N N 347 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)'          'United States' GM134865 1 
'National Institutes of Health/National Institute of Neurological Disorders and Stroke (NIH/NINDS)' 'United States' NS124165 2 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   1WMH 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9E7C 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.009344 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.002468 
_atom_sites.fract_transf_matrix[2][1]   -0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.030781 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   -0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.035365 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   N N   . LYS A 1 15  ? -4.602  22.818 -6.726  1.00 58.87  ? 10  LYS A N   1 
ATOM   2   C CA  . LYS A 1 15  ? -4.193  23.153 -5.330  1.00 57.54  ? 10  LYS A CA  1 
ATOM   3   C C   . LYS A 1 15  ? -4.262  21.926 -4.406  1.00 48.43  ? 10  LYS A C   1 
ATOM   4   O O   . LYS A 1 15  ? -3.237  21.311 -4.135  1.00 52.07  ? 10  LYS A O   1 
ATOM   5   C CB  . LYS A 1 15  ? -5.041  24.310 -4.778  1.00 63.42  ? 10  LYS A CB  1 
ATOM   6   C CG  . LYS A 1 15  ? -4.480  24.937 -3.512  1.00 67.78  ? 10  LYS A CG  1 
ATOM   7   C CD  . LYS A 1 15  ? -3.060  25.431 -3.764  1.00 72.17  ? 10  LYS A CD  1 
ATOM   8   C CE  . LYS A 1 15  ? -2.711  26.657 -2.939  1.00 75.33  ? 10  LYS A CE  1 
ATOM   9   N NZ  . LYS A 1 15  ? -1.554  27.380 -3.538  1.00 77.65  ? 10  LYS A NZ  1 
ATOM   10  N N   . LEU A 1 16  ? -5.454  21.572 -3.934  1.00 38.20  ? 11  LEU A N   1 
ATOM   11  C CA  . LEU A 1 16  ? -5.644  20.381 -3.127  1.00 31.67  ? 11  LEU A CA  1 
ATOM   12  C C   . LEU A 1 16  ? -6.614  19.419 -3.845  1.00 27.20  ? 11  LEU A C   1 
ATOM   13  O O   . LEU A 1 16  ? -7.661  19.825 -4.333  1.00 25.50  ? 11  LEU A O   1 
ATOM   14  C CB  . LEU A 1 16  ? -6.183  20.776 -1.749  1.00 33.12  ? 11  LEU A CB  1 
ATOM   15  C CG  . LEU A 1 16  ? -6.779  19.650 -0.901  1.00 32.87  ? 11  LEU A CG  1 
ATOM   16  C CD1 . LEU A 1 16  ? -5.696  18.703 -0.396  1.00 33.02  ? 11  LEU A CD1 1 
ATOM   17  C CD2 . LEU A 1 16  ? -7.600  20.212 0.250   1.00 33.65  ? 11  LEU A CD2 1 
ATOM   18  N N   . ILE A 1 17  ? -6.263  18.143 -3.893  1.00 24.41  ? 12  ILE A N   1 
ATOM   19  C CA  . ILE A 1 17  ? -7.168  17.155 -4.437  1.00 24.27  ? 12  ILE A CA  1 
ATOM   20  C C   . ILE A 1 17  ? -7.701  16.308 -3.303  1.00 23.25  ? 12  ILE A C   1 
ATOM   21  O O   . ILE A 1 17  ? -6.943  15.766 -2.531  1.00 22.77  ? 12  ILE A O   1 
ATOM   22  C CB  . ILE A 1 17  ? -6.474  16.242 -5.461  1.00 26.22  ? 12  ILE A CB  1 
ATOM   23  C CG1 . ILE A 1 17  ? -6.067  17.039 -6.700  1.00 26.31  ? 12  ILE A CG1 1 
ATOM   24  C CG2 . ILE A 1 17  ? -7.366  15.059 -5.846  1.00 28.13  ? 12  ILE A CG2 1 
ATOM   25  C CD1 . ILE A 1 17  ? -7.208  17.701 -7.420  1.00 27.38  ? 12  ILE A CD1 1 
ATOM   26  N N   . ILE A 1 18  ? -9.017  16.186 -3.216  1.00 23.80  ? 13  ILE A N   1 
ATOM   27  C CA  . ILE A 1 18  ? -9.618  15.207 -2.312  1.00 23.89  ? 13  ILE A CA  1 
ATOM   28  C C   . ILE A 1 18  ? -10.042 14.006 -3.122  1.00 22.49  ? 13  ILE A C   1 
ATOM   29  O O   . ILE A 1 18  ? -10.815 14.141 -4.060  1.00 23.02  ? 13  ILE A O   1 
ATOM   30  C CB  . ILE A 1 18  ? -10.843 15.771 -1.601  1.00 25.26  ? 13  ILE A CB  1 
ATOM   31  C CG1 . ILE A 1 18  ? -10.399 16.768 -0.533  1.00 27.74  ? 13  ILE A CG1 1 
ATOM   32  C CG2 . ILE A 1 18  ? -11.637 14.646 -0.971  1.00 26.59  ? 13  ILE A CG2 1 
ATOM   33  C CD1 . ILE A 1 18  ? -11.535 17.537 0.103   1.00 31.57  ? 13  ILE A CD1 1 
ATOM   34  N N   . LYS A 1 19  ? -9.508  12.846 -2.775  1.00 20.92  ? 14  LYS A N   1 
ATOM   35  C CA  . LYS A 1 19  ? -9.849  11.600 -3.419  1.00 22.33  ? 14  LYS A CA  1 
ATOM   36  C C   . LYS A 1 19  ? -10.698 10.795 -2.434  1.00 21.10  ? 14  LYS A C   1 
ATOM   37  O O   . LYS A 1 19  ? -10.191 10.297 -1.423  1.00 20.59  ? 14  LYS A O   1 
ATOM   38  C CB  . LYS A 1 19  ? -8.573  10.856 -3.749  1.00 26.65  ? 14  LYS A CB  1 
ATOM   39  C CG  . LYS A 1 19  ? -8.762  9.639  -4.621  1.00 30.57  ? 14  LYS A CG  1 
ATOM   40  C CD  . LYS A 1 19  ? -7.437  9.320  -5.304  1.00 34.55  ? 14  LYS A CD  1 
ATOM   41  C CE  . LYS A 1 19  ? -7.293  7.864  -5.664  1.00 37.29  ? 14  LYS A CE  1 
ATOM   42  N NZ  . LYS A 1 19  ? -6.096  7.669  -6.532  1.00 41.93  ? 14  LYS A NZ  1 
ATOM   43  N N   . ALA A 1 20  ? -11.986 10.680 -2.717  1.00 20.43  ? 15  ALA A N   1 
ATOM   44  C CA  . ALA A 1 20  ? -12.937 10.065 -1.762  1.00 19.41  ? 15  ALA A CA  1 
ATOM   45  C C   . ALA A 1 20  ? -13.462 8.737  -2.287  1.00 20.19  ? 15  ALA A C   1 
ATOM   46  O O   . ALA A 1 20  ? -13.822 8.638  -3.458  1.00 21.74  ? 15  ALA A O   1 
ATOM   47  C CB  . ALA A 1 20  ? -14.097 10.999 -1.500  1.00 18.40  ? 15  ALA A CB  1 
ATOM   48  N N   . GLN A 1 21  ? -13.516 7.748  -1.403  1.00 22.10  ? 16  GLN A N   1 
ATOM   49  C CA  . GLN A 1 21  ? -13.965 6.422  -1.730  1.00 24.47  ? 16  GLN A CA  1 
ATOM   50  C C   . GLN A 1 21  ? -15.147 6.022  -0.874  1.00 22.96  ? 16  GLN A C   1 
ATOM   51  O O   . GLN A 1 21  ? -15.070 6.098  0.351   1.00 21.76  ? 16  GLN A O   1 
ATOM   52  C CB  . GLN A 1 21  ? -12.847 5.429  -1.466  1.00 29.03  ? 16  GLN A CB  1 
ATOM   53  C CG  . GLN A 1 21  ? -13.230 4.038  -1.898  1.00 31.89  ? 16  GLN A CG  1 
ATOM   54  C CD  . GLN A 1 21  ? -12.119 3.037  -1.673  1.00 37.99  ? 16  GLN A CD  1 
ATOM   55  O OE1 . GLN A 1 21  ? -11.003 3.386  -1.236  1.00 40.96  ? 16  GLN A OE1 1 
ATOM   56  N NE2 . GLN A 1 21  ? -12.421 1.773  -1.953  1.00 37.42  ? 16  GLN A NE2 1 
ATOM   57  N N   . LEU A 1 22  ? -16.233 5.623  -1.536  1.00 22.80  ? 17  LEU A N   1 
ATOM   58  C CA  . LEU A 1 22  ? -17.388 5.009  -0.888  1.00 24.81  ? 17  LEU A CA  1 
ATOM   59  C C   . LEU A 1 22  ? -17.623 3.637  -1.548  1.00 25.74  ? 17  LEU A C   1 
ATOM   60  O O   . LEU A 1 22  ? -17.994 3.559  -2.732  1.00 26.65  ? 17  LEU A O   1 
ATOM   61  C CB  . LEU A 1 22  ? -18.636 5.895  -0.994  1.00 25.00  ? 17  LEU A CB  1 
ATOM   62  C CG  . LEU A 1 22  ? -19.928 5.337  -0.356  1.00 26.31  ? 17  LEU A CG  1 
ATOM   63  C CD1 . LEU A 1 22  ? -19.764 5.111  1.124   1.00 26.73  ? 17  LEU A CD1 1 
ATOM   64  C CD2 . LEU A 1 22  ? -21.116 6.235  -0.608  1.00 27.92  ? 17  LEU A CD2 1 
ATOM   65  N N   . GLY A 1 23  ? -17.358 2.568  -0.795  1.00 29.03  ? 18  GLY A N   1 
ATOM   66  C CA  . GLY A 1 23  ? -17.283 1.215  -1.366  1.00 31.60  ? 18  GLY A CA  1 
ATOM   67  C C   . GLY A 1 23  ? -16.279 1.180  -2.506  1.00 33.36  ? 18  GLY A C   1 
ATOM   68  O O   . GLY A 1 23  ? -15.126 1.547  -2.322  1.00 33.11  ? 18  GLY A O   1 
ATOM   69  N N   . GLU A 1 24  ? -16.710 0.780  -3.698  1.00 35.89  ? 19  GLU A N   1 
ATOM   70  C CA  . GLU A 1 24  ? -15.789 0.729  -4.844  1.00 38.49  ? 19  GLU A CA  1 
ATOM   71  C C   . GLU A 1 24  ? -15.721 2.035  -5.632  1.00 37.10  ? 19  GLU A C   1 
ATOM   72  O O   . GLU A 1 24  ? -14.836 2.198  -6.463  1.00 40.62  ? 19  GLU A O   1 
ATOM   73  C CB  . GLU A 1 24  ? -16.072 -0.450 -5.798  1.00 43.41  ? 19  GLU A CB  1 
ATOM   74  C CG  . GLU A 1 24  ? -17.435 -1.123 -5.709  1.00 48.77  ? 19  GLU A CG  1 
ATOM   75  C CD  . GLU A 1 24  ? -17.520 -2.420 -6.519  1.00 53.34  ? 19  GLU A CD  1 
ATOM   76  O OE1 . GLU A 1 24  ? -16.482 -2.873 -7.047  1.00 55.97  ? 19  GLU A OE1 1 
ATOM   77  O OE2 . GLU A 1 24  ? -18.627 -3.003 -6.616  1.00 60.47  ? 19  GLU A OE2 1 
ATOM   78  N N   . ASP A 1 25  ? -16.633 2.963  -5.365  1.00 35.13  ? 20  ASP A N   1 
ATOM   79  C CA  . ASP A 1 25  ? -16.728 4.196  -6.137  1.00 35.11  ? 20  ASP A CA  1 
ATOM   80  C C   . ASP A 1 25  ? -15.752 5.222  -5.591  1.00 33.55  ? 20  ASP A C   1 
ATOM   81  O O   . ASP A 1 25  ? -15.722 5.490  -4.389  1.00 29.12  ? 20  ASP A O   1 
ATOM   82  C CB  . ASP A 1 25  ? -18.149 4.738  -6.085  1.00 37.71  ? 20  ASP A CB  1 
ATOM   83  C CG  . ASP A 1 25  ? -19.162 3.751  -6.642  1.00 42.83  ? 20  ASP A CG  1 
ATOM   84  O OD1 . ASP A 1 25  ? -19.066 3.411  -7.845  1.00 44.51  ? 20  ASP A OD1 1 
ATOM   85  O OD2 . ASP A 1 25  ? -20.047 3.305  -5.876  1.00 46.19  ? 20  ASP A OD2 1 
ATOM   86  N N   . ILE A 1 26  ? -14.943 5.786  -6.477  1.00 35.62  ? 21  ILE A N   1 
ATOM   87  C CA  . ILE A 1 26  ? -13.953 6.779  -6.077  1.00 37.14  ? 21  ILE A CA  1 
ATOM   88  C C   . ILE A 1 26  ? -14.254 8.070  -6.832  1.00 37.68  ? 21  ILE A C   1 
ATOM   89  O O   . ILE A 1 26  ? -14.511 8.042  -8.031  1.00 43.88  ? 21  ILE A O   1 
ATOM   90  C CB  . ILE A 1 26  ? -12.526 6.265  -6.349  1.00 39.42  ? 21  ILE A CB  1 
ATOM   91  C CG1 . ILE A 1 26  ? -12.325 4.911  -5.665  1.00 41.63  ? 21  ILE A CG1 1 
ATOM   92  C CG2 . ILE A 1 26  ? -11.476 7.250  -5.851  1.00 38.63  ? 21  ILE A CG2 1 
ATOM   93  C CD1 . ILE A 1 26  ? -11.018 4.230  -6.015  1.00 42.23  ? 21  ILE A CD1 1 
ATOM   94  N N   . ARG A 1 27  ? -14.272 9.194  -6.125  1.00 33.42  ? 22  ARG A N   1 
ATOM   95  C CA  . ARG A 1 27  ? -14.486 10.491 -6.740  1.00 29.52  ? 22  ARG A CA  1 
ATOM   96  C C   . ARG A 1 27  ? -13.277 11.340 -6.411  1.00 30.52  ? 22  ARG A C   1 
ATOM   97  O O   . ARG A 1 27  ? -12.730 11.271 -5.314  1.00 28.00  ? 22  ARG A O   1 
ATOM   98  C CB  . ARG A 1 27  ? -15.724 11.166 -6.189  1.00 31.78  ? 22  ARG A CB  1 
ATOM   99  C CG  . ARG A 1 27  ? -16.996 10.351 -6.349  1.00 33.37  ? 22  ARG A CG  1 
ATOM   100 C CD  . ARG A 1 27  ? -17.521 10.358 -7.776  1.00 36.18  ? 22  ARG A CD  1 
ATOM   101 N NE  . ARG A 1 27  ? -18.705 9.510  -7.912  1.00 36.24  ? 22  ARG A NE  1 
ATOM   102 C CZ  . ARG A 1 27  ? -18.705 8.262  -8.383  1.00 39.18  ? 22  ARG A CZ  1 
ATOM   103 N NH1 . ARG A 1 27  ? -17.582 7.681  -8.804  1.00 38.16  ? 22  ARG A NH1 1 
ATOM   104 N NH2 . ARG A 1 27  ? -19.853 7.588  -8.450  1.00 42.15  ? 22  ARG A NH2 1 
ATOM   105 N N   . ARG A 1 28  ? -12.863 12.140 -7.371  1.00 28.36  ? 23  ARG A N   1 
ATOM   106 C CA  . ARG A 1 28  ? -11.676 12.942 -7.245  1.00 28.94  ? 23  ARG A CA  1 
ATOM   107 C C   . ARG A 1 28  ? -12.139 14.382 -7.352  1.00 28.44  ? 23  ARG A C   1 
ATOM   108 O O   . ARG A 1 28  ? -12.647 14.784 -8.394  1.00 31.66  ? 23  ARG A O   1 
ATOM   109 C CB  . ARG A 1 28  ? -10.725 12.545 -8.367  1.00 30.73  ? 23  ARG A CB  1 
ATOM   110 C CG  . ARG A 1 28  ? -9.304  13.055 -8.236  1.00 33.75  ? 23  ARG A CG  1 
ATOM   111 C CD  . ARG A 1 28  ? -8.396  12.297 -9.198  1.00 34.56  ? 23  ARG A CD  1 
ATOM   112 N NE  . ARG A 1 28  ? -6.987  12.663 -9.072  1.00 36.54  ? 23  ARG A NE  1 
ATOM   113 C CZ  . ARG A 1 28  ? -6.470  13.832 -9.451  1.00 35.94  ? 23  ARG A CZ  1 
ATOM   114 N NH1 . ARG A 1 28  ? -5.166  14.052 -9.301  1.00 36.90  ? 23  ARG A NH1 1 
ATOM   115 N NH2 . ARG A 1 28  ? -7.237  14.776 -9.988  1.00 36.35  ? 23  ARG A NH2 1 
ATOM   116 N N   . ILE A 1 29  ? -12.037 15.135 -6.257  1.00 27.10  ? 24  ILE A N   1 
ATOM   117 C CA  . ILE A 1 29  ? -12.576 16.480 -6.166  1.00 29.78  ? 24  ILE A CA  1 
ATOM   118 C C   . ILE A 1 29  ? -11.435 17.463 -5.940  1.00 28.89  ? 24  ILE A C   1 
ATOM   119 O O   . ILE A 1 29  ? -10.689 17.323 -4.985  1.00 27.10  ? 24  ILE A O   1 
ATOM   120 C CB  . ILE A 1 29  ? -13.589 16.659 -4.988  1.00 33.75  ? 24  ILE A CB  1 
ATOM   121 C CG1 . ILE A 1 29  ? -14.596 15.514 -4.894  1.00 37.19  ? 24  ILE A CG1 1 
ATOM   122 C CG2 . ILE A 1 29  ? -14.371 17.940 -5.170  1.00 37.35  ? 24  ILE A CG2 1 
ATOM   123 C CD1 . ILE A 1 29  ? -14.100 14.287 -4.160  1.00 38.57  ? 24  ILE A CD1 1 
ATOM   124 N N   . PRO A 1 30  ? -11.318 18.472 -6.799  1.00 30.94  ? 25  PRO A N   1 
ATOM   125 C CA  . PRO A 1 30  ? -10.365 19.549 -6.562  1.00 33.10  ? 25  PRO A CA  1 
ATOM   126 C C   . PRO A 1 30  ? -10.932 20.638 -5.669  1.00 35.68  ? 25  PRO A C   1 
ATOM   127 O O   . PRO A 1 30  ? -12.029 21.133 -5.920  1.00 39.94  ? 25  PRO A O   1 
ATOM   128 C CB  . PRO A 1 30  ? -10.107 20.097 -7.961  1.00 33.47  ? 25  PRO A CB  1 
ATOM   129 C CG  . PRO A 1 30  ? -11.363 19.820 -8.709  1.00 34.27  ? 25  PRO A CG  1 
ATOM   130 C CD  . PRO A 1 30  ? -11.882 18.522 -8.160  1.00 32.28  ? 25  PRO A CD  1 
ATOM   131 N N   . ILE A 1 31  ? -10.172 21.000 -4.638  1.00 39.27  ? 26  ILE A N   1 
ATOM   132 C CA  . ILE A 1 31  ? -10.589 21.964 -3.630  1.00 41.97  ? 26  ILE A CA  1 
ATOM   133 C C   . ILE A 1 31  ? -9.677  23.181 -3.734  1.00 46.23  ? 26  ILE A C   1 
ATOM   134 O O   . ILE A 1 31  ? -8.450  23.065 -3.811  1.00 41.54  ? 26  ILE A O   1 
ATOM   135 C CB  . ILE A 1 31  ? -10.529 21.366 -2.208  1.00 43.26  ? 26  ILE A CB  1 
ATOM   136 C CG1 . ILE A 1 31  ? -11.756 20.490 -1.932  1.00 46.09  ? 26  ILE A CG1 1 
ATOM   137 C CG2 . ILE A 1 31  ? -10.509 22.460 -1.148  1.00 45.75  ? 26  ILE A CG2 1 
ATOM   138 C CD1 . ILE A 1 31  ? -11.821 19.219 -2.736  1.00 47.34  ? 26  ILE A CD1 1 
ATOM   139 N N   . HIS A 1 32  ? -10.298 24.350 -3.732  1.00 53.43  ? 27  HIS A N   1 
ATOM   140 C CA  . HIS A 1 32  ? -9.580  25.594 -3.907  1.00 62.66  ? 27  HIS A CA  1 
ATOM   141 C C   . HIS A 1 32  ? -9.506  26.372 -2.591  1.00 67.70  ? 27  HIS A C   1 
ATOM   142 O O   . HIS A 1 32  ? -8.422  26.780 -2.174  1.00 73.16  ? 27  HIS A O   1 
ATOM   143 C CB  . HIS A 1 32  ? -10.237 26.355 -5.054  1.00 65.59  ? 27  HIS A CB  1 
ATOM   144 C CG  . HIS A 1 32  ? -10.423 25.504 -6.275  1.00 68.27  ? 27  HIS A CG  1 
ATOM   145 N ND1 . HIS A 1 32  ? -9.411  25.276 -7.186  1.00 68.38  ? 27  HIS A ND1 1 
ATOM   146 C CD2 . HIS A 1 32  ? -11.482 24.770 -6.698  1.00 68.27  ? 27  HIS A CD2 1 
ATOM   147 C CE1 . HIS A 1 32  ? -9.850  24.466 -8.134  1.00 69.04  ? 27  HIS A CE1 1 
ATOM   148 N NE2 . HIS A 1 32  ? -11.102 24.141 -7.859  1.00 68.23  ? 27  HIS A NE2 1 
ATOM   149 N N   . ASN A 1 33  ? -10.641 26.543 -1.919  1.00 75.06  ? 28  ASN A N   1 
ATOM   150 C CA  . ASN A 1 33  ? -10.645 27.140 -0.584  1.00 75.94  ? 28  ASN A CA  1 
ATOM   151 C C   . ASN A 1 33  ? -10.168 26.097 0.431   1.00 72.98  ? 28  ASN A C   1 
ATOM   152 O O   . ASN A 1 33  ? -10.813 25.071 0.643   1.00 70.21  ? 28  ASN A O   1 
ATOM   153 C CB  . ASN A 1 33  ? -12.029 27.701 -0.224  1.00 79.89  ? 28  ASN A CB  1 
ATOM   154 C CG  . ASN A 1 33  ? -12.990 26.637 0.263   1.00 85.76  ? 28  ASN A CG  1 
ATOM   155 O OD1 . ASN A 1 33  ? -13.213 26.506 1.466   1.00 91.54  ? 28  ASN A OD1 1 
ATOM   156 N ND2 . ASN A 1 33  ? -13.548 25.857 -0.663  1.00 90.01  ? 28  ASN A ND2 1 
ATOM   157 N N   . GLU A 1 34  ? -9.016  26.354 1.035   1.00 73.11  ? 29  GLU A N   1 
ATOM   158 C CA  . GLU A 1 34  ? -8.406  25.393 1.952   1.00 73.94  ? 29  GLU A CA  1 
ATOM   159 C C   . GLU A 1 34  ? -8.990  25.480 3.363   1.00 61.57  ? 29  GLU A C   1 
ATOM   160 O O   . GLU A 1 34  ? -8.752  24.586 4.179   1.00 59.09  ? 29  GLU A O   1 
ATOM   161 C CB  . GLU A 1 34  ? -6.887  25.588 1.997   1.00 82.39  ? 29  GLU A CB  1 
ATOM   162 C CG  . GLU A 1 34  ? -6.200  25.404 0.647   1.00 89.06  ? 29  GLU A CG  1 
ATOM   163 C CD  . GLU A 1 34  ? -4.924  26.223 0.525   1.00 94.10  ? 29  GLU A CD  1 
ATOM   164 O OE1 . GLU A 1 34  ? -4.118  26.223 1.484   1.00 96.13  ? 29  GLU A OE1 1 
ATOM   165 O OE2 . GLU A 1 34  ? -4.729  26.869 -0.531  1.00 94.47  ? 29  GLU A OE2 1 
ATOM   166 N N   . ASP A 1 35  ? -9.753  26.539 3.643   1.00 51.30  ? 30  ASP A N   1 
ATOM   167 C CA  . ASP A 1 35  ? -10.440 26.677 4.935   1.00 48.38  ? 30  ASP A CA  1 
ATOM   168 C C   . ASP A 1 35  ? -11.824 25.996 4.926   1.00 39.87  ? 30  ASP A C   1 
ATOM   169 O O   . ASP A 1 35  ? -12.698 26.308 5.748   1.00 38.64  ? 30  ASP A O   1 
ATOM   170 C CB  . ASP A 1 35  ? -10.547 28.156 5.349   1.00 52.28  ? 30  ASP A CB  1 
ATOM   171 C CG  . ASP A 1 35  ? -11.585 28.933 4.537   1.00 61.27  ? 30  ASP A CG  1 
ATOM   172 O OD1 . ASP A 1 35  ? -11.812 28.588 3.351   1.00 67.89  ? 30  ASP A OD1 1 
ATOM   173 O OD2 . ASP A 1 35  ? -12.177 29.892 5.090   1.00 66.66  ? 30  ASP A OD2 1 
ATOM   174 N N   . ILE A 1 36  ? -12.025 25.085 3.977   1.00 32.88  ? 31  ILE A N   1 
ATOM   175 C CA  . ILE A 1 36  ? -13.202 24.216 3.954   1.00 29.37  ? 31  ILE A CA  1 
ATOM   176 C C   . ILE A 1 36  ? -13.562 23.706 5.346   1.00 25.38  ? 31  ILE A C   1 
ATOM   177 O O   . ILE A 1 36  ? -12.689 23.266 6.105   1.00 25.20  ? 31  ILE A O   1 
ATOM   178 C CB  . ILE A 1 36  ? -12.982 23.036 2.969   1.00 31.32  ? 31  ILE A CB  1 
ATOM   179 C CG1 . ILE A 1 36  ? -14.173 22.095 2.961   1.00 32.81  ? 31  ILE A CG1 1 
ATOM   180 C CG2 . ILE A 1 36  ? -11.722 22.249 3.300   1.00 32.45  ? 31  ILE A CG2 1 
ATOM   181 C CD1 . ILE A 1 36  ? -14.086 21.034 1.879   1.00 33.38  ? 31  ILE A CD1 1 
ATOM   182 N N   . THR A 1 37  ? -14.843 23.764 5.688   1.00 21.26  ? 32  THR A N   1 
ATOM   183 C CA  . THR A 1 37  ? -15.315 23.276 6.968   1.00 20.95  ? 32  THR A CA  1 
ATOM   184 C C   . THR A 1 37  ? -15.736 21.806 6.858   1.00 18.54  ? 32  THR A C   1 
ATOM   185 O O   . THR A 1 37  ? -16.027 21.312 5.774   1.00 18.54  ? 32  THR A O   1 
ATOM   186 C CB  . THR A 1 37  ? -16.523 24.083 7.473   1.00 21.82  ? 32  THR A CB  1 
ATOM   187 O OG1 . THR A 1 37  ? -17.673 23.775 6.670   1.00 21.17  ? 32  THR A OG1 1 
ATOM   188 C CG2 . THR A 1 37  ? -16.215 25.639 7.416   1.00 22.62  ? 32  THR A CG2 1 
ATOM   189 N N   . TYR A 1 38  ? -15.792 21.127 7.987   1.00 18.55  ? 33  TYR A N   1 
ATOM   190 C CA  . TYR A 1 38  ? -16.281 19.752 8.019   1.00 18.86  ? 33  TYR A CA  1 
ATOM   191 C C   . TYR A 1 38  ? -17.672 19.638 7.410   1.00 19.63  ? 33  TYR A C   1 
ATOM   192 O O   . TYR A 1 38  ? -17.953 18.724 6.643   1.00 17.33  ? 33  TYR A O   1 
ATOM   193 C CB  . TYR A 1 38  ? -16.292 19.200 9.442   1.00 19.08  ? 33  TYR A CB  1 
ATOM   194 C CG  . TYR A 1 38  ? -16.852 17.807 9.506   1.00 18.87  ? 33  TYR A CG  1 
ATOM   195 C CD1 . TYR A 1 38  ? -16.068 16.711 9.179   1.00 18.90  ? 33  TYR A CD1 1 
ATOM   196 C CD2 . TYR A 1 38  ? -18.167 17.592 9.858   1.00 18.99  ? 33  TYR A CD2 1 
ATOM   197 C CE1 . TYR A 1 38  ? -16.575 15.428 9.212   1.00 19.72  ? 33  TYR A CE1 1 
ATOM   198 C CE2 . TYR A 1 38  ? -18.674 16.324 9.923   1.00 20.22  ? 33  TYR A CE2 1 
ATOM   199 C CZ  . TYR A 1 38  ? -17.877 15.243 9.593   1.00 20.37  ? 33  TYR A CZ  1 
ATOM   200 O OH  . TYR A 1 38  ? -18.434 13.989 9.617   1.00 22.61  ? 33  TYR A OH  1 
ATOM   201 N N   . ASP A 1 39  ? -18.570 20.549 7.778   1.00 21.29  ? 34  ASP A N   1 
ATOM   202 C CA  . ASP A 1 39  ? -19.937 20.465 7.282   1.00 20.94  ? 34  ASP A CA  1 
ATOM   203 C C   . ASP A 1 39  ? -20.003 20.708 5.778   1.00 20.27  ? 34  ASP A C   1 
ATOM   204 O O   . ASP A 1 39  ? -20.773 20.040 5.086   1.00 20.53  ? 34  ASP A O   1 
ATOM   205 C CB  . ASP A 1 39  ? -20.851 21.429 8.035   1.00 23.74  ? 34  ASP A CB  1 
ATOM   206 C CG  . ASP A 1 39  ? -21.115 20.975 9.466   1.00 24.83  ? 34  ASP A CG  1 
ATOM   207 O OD1 . ASP A 1 39  ? -21.090 19.769 9.755   1.00 26.77  ? 34  ASP A OD1 1 
ATOM   208 O OD2 . ASP A 1 39  ? -21.347 21.829 10.308  1.00 29.94  ? 34  ASP A OD2 1 
ATOM   209 N N   . GLU A 1 40  ? -19.209 21.645 5.270   1.00 20.00  ? 35  GLU A N   1 
ATOM   210 C CA  . GLU A 1 40  ? -19.048 21.799 3.807   1.00 20.04  ? 35  GLU A CA  1 
ATOM   211 C C   . GLU A 1 40  ? -18.536 20.543 3.120   1.00 18.28  ? 35  GLU A C   1 
ATOM   212 O O   . GLU A 1 40  ? -19.021 20.177 2.059   1.00 18.70  ? 35  GLU A O   1 
ATOM   213 C CB  . GLU A 1 40  ? -18.130 22.956 3.483   1.00 22.09  ? 35  GLU A CB  1 
ATOM   214 C CG  . GLU A 1 40  ? -18.777 24.318 3.721   1.00 24.14  ? 35  GLU A CG  1 
ATOM   215 C CD  . GLU A 1 40  ? -17.777 25.465 3.614   1.00 27.50  ? 35  GLU A CD  1 
ATOM   216 O OE1 . GLU A 1 40  ? -16.559 25.211 3.720   1.00 27.00  ? 35  GLU A OE1 1 
ATOM   217 O OE2 . GLU A 1 40  ? -18.212 26.624 3.404   1.00 28.90  ? 35  GLU A OE2 1 
ATOM   218 N N   . LEU A 1 41  ? -17.559 19.868 3.718   1.00 16.82  ? 36  LEU A N   1 
ATOM   219 C CA  . LEU A 1 41  ? -17.055 18.629 3.150   1.00 16.73  ? 36  LEU A CA  1 
ATOM   220 C C   . LEU A 1 41  ? -18.128 17.542 3.102   1.00 16.50  ? 36  LEU A C   1 
ATOM   221 O O   . LEU A 1 41  ? -18.253 16.857 2.120   1.00 15.49  ? 36  LEU A O   1 
ATOM   222 C CB  . LEU A 1 41  ? -15.803 18.138 3.898   1.00 17.51  ? 36  LEU A CB  1 
ATOM   223 C CG  . LEU A 1 41  ? -15.261 16.750 3.514   1.00 17.74  ? 36  LEU A CG  1 
ATOM   224 C CD1 . LEU A 1 41  ? -14.667 16.824 2.105   1.00 17.87  ? 36  LEU A CD1 1 
ATOM   225 C CD2 . LEU A 1 41  ? -14.205 16.359 4.525   1.00 19.02  ? 36  LEU A CD2 1 
ATOM   226 N N   . VAL A 1 42  ? -18.913 17.412 4.164   1.00 17.10  ? 37  VAL A N   1 
ATOM   227 C CA  . VAL A 1 42  ? -20.008 16.487 4.162   1.00 17.16  ? 37  VAL A CA  1 
ATOM   228 C C   . VAL A 1 42  ? -20.943 16.797 2.996   1.00 16.52  ? 37  VAL A C   1 
ATOM   229 O O   . VAL A 1 42  ? -21.338 15.896 2.246   1.00 16.56  ? 37  VAL A O   1 
ATOM   230 C CB  . VAL A 1 42  ? -20.744 16.477 5.524   1.00 17.19  ? 37  VAL A CB  1 
ATOM   231 C CG1 . VAL A 1 42  ? -21.973 15.575 5.448   1.00 18.98  ? 37  VAL A CG1 1 
ATOM   232 C CG2 . VAL A 1 42  ? -19.800 15.995 6.618   1.00 18.44  ? 37  VAL A CG2 1 
ATOM   233 N N   . LEU A 1 43  ? -21.271 18.069 2.798   1.00 16.79  ? 38  LEU A N   1 
ATOM   234 C CA  . LEU A 1 43  ? -22.186 18.443 1.744   1.00 17.13  ? 38  LEU A CA  1 
ATOM   235 C C   . LEU A 1 43  ? -21.602 18.073 0.404   1.00 18.27  ? 38  LEU A C   1 
ATOM   236 O O   . LEU A 1 43  ? -22.305 17.590 -0.468  1.00 18.79  ? 38  LEU A O   1 
ATOM   237 C CB  . LEU A 1 43  ? -22.454 19.947 1.767   1.00 18.23  ? 38  LEU A CB  1 
ATOM   238 C CG  . LEU A 1 43  ? -23.433 20.418 2.831   1.00 19.04  ? 38  LEU A CG  1 
ATOM   239 C CD1 . LEU A 1 43  ? -23.542 21.936 2.851   1.00 19.68  ? 38  LEU A CD1 1 
ATOM   240 C CD2 . LEU A 1 43  ? -24.796 19.797 2.587   1.00 20.21  ? 38  LEU A CD2 1 
ATOM   241 N N   . MET A 1 44  ? -20.316 18.313 0.228   1.00 17.93  ? 39  MET A N   1 
ATOM   242 C CA  . MET A 1 44  ? -19.669 18.003 -1.026  1.00 20.15  ? 39  MET A CA  1 
ATOM   243 C C   . MET A 1 44  ? -19.711 16.497 -1.314  1.00 18.95  ? 39  MET A C   1 
ATOM   244 O O   . MET A 1 44  ? -19.875 16.088 -2.467  1.00 18.82  ? 39  MET A O   1 
ATOM   245 C CB  . MET A 1 44  ? -18.208 18.446 -0.980  1.00 22.37  ? 39  MET A CB  1 
ATOM   246 C CG  . MET A 1 44  ? -17.996 19.947 -1.140  1.00 25.31  ? 39  MET A CG  1 
ATOM   247 S SD  . MET A 1 44  ? -16.250 20.458 -1.111  1.00 30.64  ? 39  MET A SD  1 
ATOM   248 C CE  . MET A 1 44  ? -15.459 19.111 -1.986  1.00 33.34  ? 39  MET A CE  1 
ATOM   249 N N   . MET A 1 45  ? -19.520 15.695 -0.278  1.00 18.66  ? 40  MET A N   1 
ATOM   250 C CA  . MET A 1 45  ? -19.539 14.236 -0.428  1.00 19.75  ? 40  MET A CA  1 
ATOM   251 C C   . MET A 1 45  ? -20.934 13.822 -0.838  1.00 20.29  ? 40  MET A C   1 
ATOM   252 O O   . MET A 1 45  ? -21.101 13.017 -1.733  1.00 20.05  ? 40  MET A O   1 
ATOM   253 C CB  . MET A 1 45  ? -19.132 13.537 0.867   1.00 20.42  ? 40  MET A CB  1 
ATOM   254 C CG  . MET A 1 45  ? -17.695 13.787 1.324   1.00 21.27  ? 40  MET A CG  1 
ATOM   255 S SD  . MET A 1 45  ? -16.498 13.245 0.089   1.00 24.09  ? 40  MET A SD  1 
ATOM   256 C CE  . MET A 1 45  ? -16.105 14.790 -0.714  1.00 24.77  ? 40  MET A CE  1 
ATOM   257 N N   . GLN A 1 46  ? -21.939 14.449 -0.244  1.00 20.19  ? 41  GLN A N   1 
ATOM   258 C CA  . GLN A 1 46  ? -23.325 14.163 -0.616  1.00 21.46  ? 41  GLN A CA  1 
ATOM   259 C C   . GLN A 1 46  ? -23.638 14.494 -2.075  1.00 22.43  ? 41  GLN A C   1 
ATOM   260 O O   . GLN A 1 46  ? -24.389 13.763 -2.761  1.00 22.94  ? 41  GLN A O   1 
ATOM   261 C CB  . GLN A 1 46  ? -24.255 14.878 0.334   1.00 22.26  ? 41  GLN A CB  1 
ATOM   262 C CG  . GLN A 1 46  ? -24.077 14.404 1.757   1.00 23.64  ? 41  GLN A CG  1 
ATOM   263 C CD  . GLN A 1 46  ? -24.987 15.117 2.721   1.00 27.18  ? 41  GLN A CD  1 
ATOM   264 O OE1 . GLN A 1 46  ? -25.076 16.359 2.733   1.00 28.42  ? 41  GLN A OE1 1 
ATOM   265 N NE2 . GLN A 1 46  ? -25.699 14.337 3.531   1.00 31.07  ? 41  GLN A NE2 1 
ATOM   266 N N   . ARG A 1 47  ? -23.051 15.567 -2.575  1.00 21.15  ? 42  ARG A N   1 
ATOM   267 C CA  . ARG A 1 47  ? -23.214 15.927 -3.973  1.00 23.85  ? 42  ARG A CA  1 
ATOM   268 C C   . ARG A 1 47  ? -22.503 14.925 -4.878  1.00 24.33  ? 42  ARG A C   1 
ATOM   269 O O   . ARG A 1 47  ? -23.103 14.420 -5.826  1.00 22.33  ? 42  ARG A O   1 
ATOM   270 C CB  . ARG A 1 47  ? -22.668 17.332 -4.260  1.00 24.01  ? 42  ARG A CB  1 
ATOM   271 C CG  . ARG A 1 47  ? -23.337 18.458 -3.482  1.00 25.90  ? 42  ARG A CG  1 
ATOM   272 C CD  . ARG A 1 47  ? -24.797 18.674 -3.817  1.00 28.84  ? 42  ARG A CD  1 
ATOM   273 N NE  . ARG A 1 47  ? -25.337 19.808 -3.058  1.00 31.70  ? 42  ARG A NE  1 
ATOM   274 C CZ  . ARG A 1 47  ? -25.804 19.738 -1.812  1.00 33.84  ? 42  ARG A CZ  1 
ATOM   275 N NH1 . ARG A 1 47  ? -25.788 18.581 -1.155  1.00 38.45  ? 42  ARG A NH1 1 
ATOM   276 N NH2 . ARG A 1 47  ? -26.270 20.827 -1.206  1.00 31.63  ? 42  ARG A NH2 1 
ATOM   277 N N   . VAL A 1 48  ? -21.233 14.634 -4.600  1.00 23.79  ? 43  VAL A N   1 
ATOM   278 C CA  . VAL A 1 48  ? -20.462 13.835 -5.549  1.00 24.99  ? 43  VAL A CA  1 
ATOM   279 C C   . VAL A 1 48  ? -20.915 12.368 -5.547  1.00 25.68  ? 43  VAL A C   1 
ATOM   280 O O   . VAL A 1 48  ? -20.748 11.684 -6.554  1.00 25.86  ? 43  VAL A O   1 
ATOM   281 C CB  . VAL A 1 48  ? -18.914 13.941 -5.376  1.00 27.12  ? 43  VAL A CB  1 
ATOM   282 C CG1 . VAL A 1 48  ? -18.450 15.389 -5.493  1.00 25.78  ? 43  VAL A CG1 1 
ATOM   283 C CG2 . VAL A 1 48  ? -18.438 13.296 -4.089  1.00 28.79  ? 43  VAL A CG2 1 
ATOM   284 N N   . PHE A 1 49  ? -21.475 11.905 -4.429  1.00 23.83  ? 44  PHE A N   1 
ATOM   285 C CA  . PHE A 1 49  ? -21.990 10.535 -4.299  1.00 26.40  ? 44  PHE A CA  1 
ATOM   286 C C   . PHE A 1 49  ? -23.527 10.543 -4.352  1.00 30.40  ? 44  PHE A C   1 
ATOM   287 O O   . PHE A 1 49  ? -24.186 9.760  -3.680  1.00 32.36  ? 44  PHE A O   1 
ATOM   288 C CB  . PHE A 1 49  ? -21.472 9.905  -3.009  1.00 24.11  ? 44  PHE A CB  1 
ATOM   289 C CG  . PHE A 1 49  ? -20.005 9.561  -3.072  1.00 23.20  ? 44  PHE A CG  1 
ATOM   290 C CD1 . PHE A 1 49  ? -19.560 8.466  -3.826  1.00 23.37  ? 44  PHE A CD1 1 
ATOM   291 C CD2 . PHE A 1 49  ? -19.066 10.342 -2.420  1.00 22.55  ? 44  PHE A CD2 1 
ATOM   292 C CE1 . PHE A 1 49  ? -18.204 8.166  -3.920  1.00 23.14  ? 44  PHE A CE1 1 
ATOM   293 C CE2 . PHE A 1 49  ? -17.720 10.040 -2.498  1.00 22.53  ? 44  PHE A CE2 1 
ATOM   294 C CZ  . PHE A 1 49  ? -17.281 8.958  -3.252  1.00 21.58  ? 44  PHE A CZ  1 
ATOM   295 N N   . ARG A 1 50  ? -24.070 11.434 -5.181  1.00 33.29  ? 45  ARG A N   1 
ATOM   296 C CA  . ARG A 1 50  ? -25.520 11.691 -5.294  1.00 39.08  ? 45  ARG A CA  1 
ATOM   297 C C   . ARG A 1 50  ? -26.377 10.407 -5.189  1.00 37.75  ? 45  ARG A C   1 
ATOM   298 O O   . ARG A 1 50  ? -27.194 10.228 -4.248  1.00 39.90  ? 45  ARG A O   1 
ATOM   299 C CB  . ARG A 1 50  ? -25.781 12.407 -6.640  1.00 43.04  ? 45  ARG A CB  1 
ATOM   300 C CG  . ARG A 1 50  ? -27.147 13.066 -6.811  1.00 49.99  ? 45  ARG A CG  1 
ATOM   301 C CD  . ARG A 1 50  ? -27.475 13.292 -8.292  1.00 55.31  ? 45  ARG A CD  1 
ATOM   302 N NE  . ARG A 1 50  ? -26.444 14.057 -9.009  1.00 59.80  ? 45  ARG A NE  1 
ATOM   303 C CZ  . ARG A 1 50  ? -26.462 15.378 -9.234  1.00 66.82  ? 45  ARG A CZ  1 
ATOM   304 N NH1 . ARG A 1 50  ? -27.471 16.143 -8.809  1.00 68.40  ? 45  ARG A NH1 1 
ATOM   305 N NH2 . ARG A 1 50  ? -25.452 15.948 -9.896  1.00 67.45  ? 45  ARG A NH2 1 
ATOM   306 N N   . GLY A 1 51  ? -26.156 9.501  -6.130  1.00 33.11  ? 46  GLY A N   1 
ATOM   307 C CA  . GLY A 1 51  ? -27.009 8.322  -6.273  1.00 33.43  ? 46  GLY A CA  1 
ATOM   308 C C   . GLY A 1 51  ? -26.688 7.151  -5.361  1.00 30.90  ? 46  GLY A C   1 
ATOM   309 O O   . GLY A 1 51  ? -27.267 6.070  -5.498  1.00 29.63  ? 46  GLY A O   1 
ATOM   310 N N   . LYS A 1 52  ? -25.780 7.349  -4.423  1.00 27.86  ? 47  LYS A N   1 
ATOM   311 C CA  . LYS A 1 52  ? -25.389 6.287  -3.509  1.00 28.39  ? 47  LYS A CA  1 
ATOM   312 C C   . LYS A 1 52  ? -25.998 6.490  -2.119  1.00 25.52  ? 47  LYS A C   1 
ATOM   313 O O   . LYS A 1 52  ? -25.876 5.628  -1.252  1.00 26.22  ? 47  LYS A O   1 
ATOM   314 C CB  . LYS A 1 52  ? -23.861 6.210  -3.399  1.00 30.46  ? 47  LYS A CB  1 
ATOM   315 C CG  . LYS A 1 52  ? -23.093 6.289  -4.716  1.00 34.38  ? 47  LYS A CG  1 
ATOM   316 C CD  . LYS A 1 52  ? -23.309 5.062  -5.597  1.00 38.58  ? 47  LYS A CD  1 
ATOM   317 C CE  . LYS A 1 52  ? -22.849 5.316  -7.034  1.00 42.14  ? 47  LYS A CE  1 
ATOM   318 N NZ  . LYS A 1 52  ? -23.184 4.158  -7.919  1.00 44.03  ? 47  LYS A NZ  1 
ATOM   319 N N   . LEU A 1 53  ? -26.634 7.629  -1.897  1.00 23.93  ? 48  LEU A N   1 
ATOM   320 C CA  . LEU A 1 53  ? -27.029 8.037  -0.557  1.00 23.24  ? 48  LEU A CA  1 
ATOM   321 C C   . LEU A 1 53  ? -28.472 8.456  -0.515  1.00 24.72  ? 48  LEU A C   1 
ATOM   322 O O   . LEU A 1 53  ? -29.033 8.923  -1.503  1.00 24.53  ? 48  LEU A O   1 
ATOM   323 C CB  . LEU A 1 53  ? -26.187 9.227  -0.058  1.00 23.22  ? 48  LEU A CB  1 
ATOM   324 C CG  . LEU A 1 53  ? -24.681 9.018  -0.006  1.00 24.14  ? 48  LEU A CG  1 
ATOM   325 C CD1 . LEU A 1 53  ? -23.982 10.349 0.227   1.00 24.82  ? 48  LEU A CD1 1 
ATOM   326 C CD2 . LEU A 1 53  ? -24.308 8.033  1.066   1.00 24.62  ? 48  LEU A CD2 1 
ATOM   327 N N   . LEU A 1 54  ? -29.050 8.293  0.666   1.00 25.80  ? 49  LEU A N   1 
ATOM   328 C CA  . LEU A 1 54  ? -30.350 8.818  0.966   1.00 26.66  ? 49  LEU A CA  1 
ATOM   329 C C   . LEU A 1 54  ? -30.092 10.037 1.812   1.00 28.49  ? 49  LEU A C   1 
ATOM   330 O O   . LEU A 1 54  ? -29.109 10.077 2.559   1.00 27.69  ? 49  LEU A O   1 
ATOM   331 C CB  . LEU A 1 54  ? -31.164 7.785  1.745   1.00 25.57  ? 49  LEU A CB  1 
ATOM   332 C CG  . LEU A 1 54  ? -31.561 6.552  0.935   1.00 24.91  ? 49  LEU A CG  1 
ATOM   333 C CD1 . LEU A 1 54  ? -32.114 5.483  1.846   1.00 25.50  ? 49  LEU A CD1 1 
ATOM   334 C CD2 . LEU A 1 54  ? -32.576 6.896  -0.150  1.00 25.06  ? 49  LEU A CD2 1 
ATOM   335 N N   . SER A 1 55  ? -31.004 11.001 1.740   1.00 32.52  ? 50  SER A N   1 
ATOM   336 C CA  . SER A 1 55  ? -30.878 12.254 2.483   1.00 35.08  ? 50  SER A CA  1 
ATOM   337 C C   . SER A 1 55  ? -30.667 12.019 3.980   1.00 36.63  ? 50  SER A C   1 
ATOM   338 O O   . SER A 1 55  ? -29.962 12.791 4.637   1.00 39.94  ? 50  SER A O   1 
ATOM   339 C CB  . SER A 1 55  ? -32.110 13.142 2.247   1.00 36.14  ? 50  SER A CB  1 
ATOM   340 O OG  . SER A 1 55  ? -33.250 12.619 2.911   1.00 37.47  ? 50  SER A OG  1 
ATOM   341 N N   . ASN A 1 56  ? -31.245 10.940 4.507   1.00 36.68  ? 51  ASN A N   1 
ATOM   342 C CA  . ASN A 1 56  ? -31.108 10.593 5.926   1.00 37.62  ? 51  ASN A CA  1 
ATOM   343 C C   . ASN A 1 56  ? -29.927 9.672  6.283   1.00 36.12  ? 51  ASN A C   1 
ATOM   344 O O   . ASN A 1 56  ? -29.773 9.308  7.439   1.00 36.12  ? 51  ASN A O   1 
ATOM   345 C CB  . ASN A 1 56  ? -32.409 9.970  6.441   1.00 42.23  ? 51  ASN A CB  1 
ATOM   346 C CG  . ASN A 1 56  ? -32.897 8.825  5.559   1.00 45.81  ? 51  ASN A CG  1 
ATOM   347 O OD1 . ASN A 1 56  ? -32.194 7.837  5.368   1.00 48.35  ? 51  ASN A OD1 1 
ATOM   348 N ND2 . ASN A 1 56  ? -34.092 8.971  4.992   1.00 49.85  ? 51  ASN A ND2 1 
ATOM   349 N N   . ASP A 1 57  ? -29.099 9.279  5.323   1.00 33.29  ? 52  ASP A N   1 
ATOM   350 C CA  . ASP A 1 57  ? -27.894 8.519  5.665   1.00 31.08  ? 52  ASP A CA  1 
ATOM   351 C C   . ASP A 1 57  ? -26.955 9.386  6.503   1.00 33.40  ? 52  ASP A C   1 
ATOM   352 O O   . ASP A 1 57  ? -26.864 10.601 6.308   1.00 34.83  ? 52  ASP A O   1 
ATOM   353 C CB  . ASP A 1 57  ? -27.143 8.067  4.419   1.00 29.94  ? 52  ASP A CB  1 
ATOM   354 C CG  . ASP A 1 57  ? -27.760 6.841  3.763   1.00 28.46  ? 52  ASP A CG  1 
ATOM   355 O OD1 . ASP A 1 57  ? -28.384 6.010  4.446   1.00 26.88  ? 52  ASP A OD1 1 
ATOM   356 O OD2 . ASP A 1 57  ? -27.613 6.690  2.536   1.00 29.39  ? 52  ASP A OD2 1 
ATOM   357 N N   . GLU A 1 58  ? -26.254 8.747  7.423   1.00 34.73  ? 53  GLU A N   1 
ATOM   358 C CA  . GLU A 1 58  ? -25.258 9.410  8.220   1.00 38.11  ? 53  GLU A CA  1 
ATOM   359 C C   . GLU A 1 58  ? -23.920 9.044  7.639   1.00 35.17  ? 53  GLU A C   1 
ATOM   360 O O   . GLU A 1 58  ? -23.560 7.873  7.579   1.00 33.48  ? 53  GLU A O   1 
ATOM   361 C CB  . GLU A 1 58  ? -25.345 8.943  9.660   1.00 43.24  ? 53  GLU A CB  1 
ATOM   362 C CG  . GLU A 1 58  ? -24.461 9.743  10.605  1.00 51.24  ? 53  GLU A CG  1 
ATOM   363 C CD  . GLU A 1 58  ? -24.236 9.024  11.923  1.00 56.85  ? 53  GLU A CD  1 
ATOM   364 O OE1 . GLU A 1 58  ? -25.144 9.079  12.787  1.00 64.87  ? 53  GLU A OE1 1 
ATOM   365 O OE2 . GLU A 1 58  ? -23.158 8.396  12.084  1.00 60.06  ? 53  GLU A OE2 1 
ATOM   366 N N   . VAL A 1 59  ? -23.195 10.061 7.195   1.00 35.39  ? 54  VAL A N   1 
ATOM   367 C CA  . VAL A 1 59  ? -21.882 9.887  6.591   1.00 35.49  ? 54  VAL A CA  1 
ATOM   368 C C   . VAL A 1 59  ? -20.792 10.083 7.650   1.00 32.95  ? 54  VAL A C   1 
ATOM   369 O O   . VAL A 1 59  ? -20.778 11.078 8.374   1.00 31.53  ? 54  VAL A O   1 
ATOM   370 C CB  . VAL A 1 59  ? -21.683 10.851 5.393   1.00 36.40  ? 54  VAL A CB  1 
ATOM   371 C CG1 . VAL A 1 59  ? -20.325 10.646 4.739   1.00 36.87  ? 54  VAL A CG1 1 
ATOM   372 C CG2 . VAL A 1 59  ? -22.772 10.618 4.362   1.00 38.09  ? 54  VAL A CG2 1 
ATOM   373 N N   . THR A 1 60  ? -19.916 9.090  7.744   1.00 31.65  ? 55  THR A N   1 
ATOM   374 C CA  . THR A 1 60  ? -18.711 9.126  8.560   1.00 31.44  ? 55  THR A CA  1 
ATOM   375 C C   . THR A 1 60  ? -17.504 9.279  7.616   1.00 28.09  ? 55  THR A C   1 
ATOM   376 O O   . THR A 1 60  ? -17.415 8.571  6.611   1.00 29.11  ? 55  THR A O   1 
ATOM   377 C CB  . THR A 1 60  ? -18.589 7.803  9.346   1.00 32.32  ? 55  THR A CB  1 
ATOM   378 O OG1 . THR A 1 60  ? -19.475 7.850  10.462  1.00 40.52  ? 55  THR A OG1 1 
ATOM   379 C CG2 . THR A 1 60  ? -17.167 7.544  9.863   1.00 34.02  ? 55  THR A CG2 1 
ATOM   380 N N   . ILE A 1 61  ? -16.567 10.154 7.960   1.00 23.76  ? 56  ILE A N   1 
ATOM   381 C CA  . ILE A 1 61  ? -15.416 10.428 7.102   1.00 21.68  ? 56  ILE A CA  1 
ATOM   382 C C   . ILE A 1 61  ? -14.150 10.073 7.848   1.00 20.73  ? 56  ILE A C   1 
ATOM   383 O O   . ILE A 1 61  ? -13.916 10.551 8.966   1.00 20.69  ? 56  ILE A O   1 
ATOM   384 C CB  . ILE A 1 61  ? -15.359 11.906 6.677   1.00 21.28  ? 56  ILE A CB  1 
ATOM   385 C CG1 . ILE A 1 61  ? -16.600 12.267 5.870   1.00 22.56  ? 56  ILE A CG1 1 
ATOM   386 C CG2 . ILE A 1 61  ? -14.121 12.202 5.828   1.00 20.65  ? 56  ILE A CG2 1 
ATOM   387 C CD1 . ILE A 1 61  ? -16.745 13.751 5.643   1.00 23.59  ? 56  ILE A CD1 1 
ATOM   388 N N   . LYS A 1 62  ? -13.348 9.230  7.221   1.00 21.80  ? 57  LYS A N   1 
ATOM   389 C CA  . LYS A 1 62  ? -12.013 8.906  7.687   1.00 22.85  ? 57  LYS A CA  1 
ATOM   390 C C   . LYS A 1 62  ? -10.956 9.212  6.620   1.00 21.70  ? 57  LYS A C   1 
ATOM   391 O O   . LYS A 1 62  ? -11.256 9.258  5.434   1.00 21.60  ? 57  LYS A O   1 
ATOM   392 C CB  . LYS A 1 62  ? -11.956 7.419  8.054   1.00 24.24  ? 57  LYS A CB  1 
ATOM   393 C CG  . LYS A 1 62  ? -13.046 7.021  9.020   1.00 26.70  ? 57  LYS A CG  1 
ATOM   394 C CD  . LYS A 1 62  ? -12.683 5.708  9.665   1.00 30.42  ? 57  LYS A CD  1 
ATOM   395 C CE  . LYS A 1 62  ? -13.828 5.151  10.470  1.00 31.84  ? 57  LYS A CE  1 
ATOM   396 N NZ  . LYS A 1 62  ? -13.436 3.808  10.979  1.00 34.90  ? 57  LYS A NZ  1 
ATOM   397 N N   . TYR A 1 63  ? -9.720  9.418  7.050   1.00 22.57  ? 58  TYR A N   1 
ATOM   398 C CA  . TYR A 1 63  ? -8.618  9.636  6.120   1.00 25.07  ? 58  TYR A CA  1 
ATOM   399 C C   . TYR A 1 63  ? -7.444  8.722  6.392   1.00 26.80  ? 58  TYR A C   1 
ATOM   400 O O   . TYR A 1 63  ? -7.200  8.292  7.528   1.00 25.93  ? 58  TYR A O   1 
ATOM   401 C CB  . TYR A 1 63  ? -8.162  11.101 6.093   1.00 25.53  ? 58  TYR A CB  1 
ATOM   402 C CG  . TYR A 1 63  ? -7.243  11.552 7.193   1.00 27.84  ? 58  TYR A CG  1 
ATOM   403 C CD1 . TYR A 1 63  ? -7.732  11.794 8.467   1.00 29.15  ? 58  TYR A CD1 1 
ATOM   404 C CD2 . TYR A 1 63  ? -5.888  11.800 6.951   1.00 30.48  ? 58  TYR A CD2 1 
ATOM   405 C CE1 . TYR A 1 63  ? -6.908  12.226 9.484   1.00 31.53  ? 58  TYR A CE1 1 
ATOM   406 C CE2 . TYR A 1 63  ? -5.049  12.250 7.972   1.00 31.73  ? 58  TYR A CE2 1 
ATOM   407 C CZ  . TYR A 1 63  ? -5.569  12.457 9.235   1.00 31.85  ? 58  TYR A CZ  1 
ATOM   408 O OH  . TYR A 1 63  ? -4.778  12.921 10.267  1.00 37.56  ? 58  TYR A OH  1 
ATOM   409 N N   . LYS A 1 64  ? -6.724  8.444  5.313   1.00 32.97  ? 59  LYS A N   1 
ATOM   410 C CA  . LYS A 1 64  ? -5.544  7.611  5.345   1.00 37.30  ? 59  LYS A CA  1 
ATOM   411 C C   . LYS A 1 64  ? -4.412  8.453  5.870   1.00 36.09  ? 59  LYS A C   1 
ATOM   412 O O   . LYS A 1 64  ? -3.970  9.409  5.224   1.00 32.66  ? 59  LYS A O   1 
ATOM   413 C CB  . LYS A 1 64  ? -5.216  7.088  3.952   1.00 41.40  ? 59  LYS A CB  1 
ATOM   414 C CG  . LYS A 1 64  ? -6.247  6.114  3.421   1.00 48.22  ? 59  LYS A CG  1 
ATOM   415 C CD  . LYS A 1 64  ? -5.851  5.583  2.045   1.00 55.22  ? 59  LYS A CD  1 
ATOM   416 C CE  . LYS A 1 64  ? -7.048  5.027  1.269   1.00 57.61  ? 59  LYS A CE  1 
ATOM   417 N NZ  . LYS A 1 64  ? -6.680  4.725  -0.152  1.00 61.37  ? 59  LYS A NZ  1 
ATOM   418 N N   . ALA A 1 65  ? -3.972  8.113  7.069   1.00 37.19  ? 60  ALA A N   1 
ATOM   419 C CA  . ALA A 1 65  ? -2.859  8.793  7.680   1.00 41.03  ? 60  ALA A CA  1 
ATOM   420 C C   . ALA A 1 65  ? -1.540  8.266  7.109   1.00 48.79  ? 60  ALA A C   1 
ATOM   421 O O   . ALA A 1 65  ? -1.508  7.340  6.276   1.00 44.59  ? 60  ALA A O   1 
ATOM   422 C CB  . ALA A 1 65  ? -2.912  8.620  9.182   1.00 39.94  ? 60  ALA A CB  1 
ATOM   423 N N   . GLU A 1 66  ? -0.454  8.901  7.537   1.00 58.76  ? 61  GLU A N   1 
ATOM   424 C CA  . GLU A 1 66  ? 0.891   8.485  7.156   1.00 67.25  ? 61  GLU A CA  1 
ATOM   425 C C   . GLU A 1 66  ? 1.030   7.014  7.553   1.00 69.43  ? 61  GLU A C   1 
ATOM   426 O O   . GLU A 1 66  ? 0.735   6.638  8.692   1.00 65.51  ? 61  GLU A O   1 
ATOM   427 C CB  . GLU A 1 66  ? 1.939   9.364  7.861   1.00 72.96  ? 61  GLU A CB  1 
ATOM   428 C CG  . GLU A 1 66  ? 3.101   9.814  6.987   1.00 77.36  ? 61  GLU A CG  1 
ATOM   429 C CD  . GLU A 1 66  ? 3.985   10.844 7.681   1.00 79.29  ? 61  GLU A CD  1 
ATOM   430 O OE1 . GLU A 1 66  ? 5.167   10.538 7.960   1.00 78.50  ? 61  GLU A OE1 1 
ATOM   431 O OE2 . GLU A 1 66  ? 3.491   11.960 7.957   1.00 80.72  ? 61  GLU A OE2 1 
ATOM   432 N N   . ARG A 1 67  ? 1.435   6.188  6.593   1.00 78.80  ? 62  ARG A N   1 
ATOM   433 C CA  . ARG A 1 67  ? 1.476   4.726  6.754   1.00 84.59  ? 62  ARG A CA  1 
ATOM   434 C C   . ARG A 1 67  ? 0.057   4.125  6.908   1.00 77.72  ? 62  ARG A C   1 
ATOM   435 O O   . ARG A 1 67  ? -0.230  3.381  7.848   1.00 78.02  ? 62  ARG A O   1 
ATOM   436 C CB  . ARG A 1 67  ? 2.440   4.315  7.895   1.00 92.56  ? 62  ARG A CB  1 
ATOM   437 C CG  . ARG A 1 67  ? 2.821   2.829  7.980   1.00 100.49 ? 62  ARG A CG  1 
ATOM   438 C CD  . ARG A 1 67  ? 3.471   2.237  6.726   1.00 101.75 ? 62  ARG A CD  1 
ATOM   439 N NE  . ARG A 1 67  ? 3.595   0.776  6.837   1.00 100.77 ? 62  ARG A NE  1 
ATOM   440 C CZ  . ARG A 1 67  ? 3.747   -0.071 5.818   1.00 99.32  ? 62  ARG A CZ  1 
ATOM   441 N NH1 . ARG A 1 67  ? 3.802   0.362  4.562   1.00 99.69  ? 62  ARG A NH1 1 
ATOM   442 N NH2 . ARG A 1 67  ? 3.842   -1.374 6.058   1.00 100.43 ? 62  ARG A NH2 1 
ATOM   443 N N   . GLY A 1 68  ? -0.824  4.511  5.984   1.00 69.20  ? 63  GLY A N   1 
ATOM   444 C CA  . GLY A 1 68  ? -2.033  3.754  5.632   1.00 64.02  ? 63  GLY A CA  1 
ATOM   445 C C   . GLY A 1 68  ? -3.127  3.412  6.633   1.00 59.05  ? 63  GLY A C   1 
ATOM   446 O O   . GLY A 1 68  ? -4.021  2.641  6.304   1.00 61.27  ? 63  GLY A O   1 
ATOM   447 N N   . ASP A 1 69  ? -3.084  3.963  7.840   1.00 54.37  ? 64  ASP A N   1 
ATOM   448 C CA  . ASP A 1 69  ? -4.138  3.693  8.840   1.00 54.20  ? 64  ASP A CA  1 
ATOM   449 C C   . ASP A 1 69  ? -5.234  4.768  8.742   1.00 47.10  ? 64  ASP A C   1 
ATOM   450 O O   . ASP A 1 69  ? -4.934  5.941  8.534   1.00 45.42  ? 64  ASP A O   1 
ATOM   451 C CB  . ASP A 1 69  ? -3.562  3.629  10.265  1.00 56.07  ? 64  ASP A CB  1 
ATOM   452 C CG  . ASP A 1 69  ? -2.685  4.830  10.603  1.00 58.47  ? 64  ASP A CG  1 
ATOM   453 O OD1 . ASP A 1 69  ? -1.643  5.015  9.934   1.00 57.69  ? 64  ASP A OD1 1 
ATOM   454 O OD2 . ASP A 1 69  ? -3.038  5.584  11.536  1.00 63.23  ? 64  ASP A OD2 1 
ATOM   455 N N   . LEU A 1 70  ? -6.493  4.361  8.863   1.00 41.03  ? 65  LEU A N   1 
ATOM   456 C CA  . LEU A 1 70  ? -7.602  5.308  8.734   1.00 39.87  ? 65  LEU A CA  1 
ATOM   457 C C   . LEU A 1 70  ? -7.852  6.005  10.054  1.00 36.91  ? 65  LEU A C   1 
ATOM   458 O O   . LEU A 1 70  ? -7.937  5.361  11.097  1.00 36.74  ? 65  LEU A O   1 
ATOM   459 C CB  . LEU A 1 70  ? -8.890  4.621  8.262   1.00 39.56  ? 65  LEU A CB  1 
ATOM   460 C CG  . LEU A 1 70  ? -8.922  4.021  6.859   1.00 38.66  ? 65  LEU A CG  1 
ATOM   461 C CD1 . LEU A 1 70  ? -10.320 3.490  6.583   1.00 38.06  ? 65  LEU A CD1 1 
ATOM   462 C CD2 . LEU A 1 70  ? -8.503  5.016  5.784   1.00 40.66  ? 65  LEU A CD2 1 
ATOM   463 N N   . ILE A 1 71  ? -7.984  7.326  9.995   1.00 33.59  ? 66  ILE A N   1 
ATOM   464 C CA  . ILE A 1 71  ? -8.268  8.145  11.172  1.00 30.99  ? 66  ILE A CA  1 
ATOM   465 C C   . ILE A 1 71  ? -9.558  8.930  10.944  1.00 28.86  ? 66  ILE A C   1 
ATOM   466 O O   . ILE A 1 71  ? -9.686  9.577  9.921   1.00 25.69  ? 66  ILE A O   1 
ATOM   467 C CB  . ILE A 1 71  ? -7.140  9.152  11.388  1.00 31.56  ? 66  ILE A CB  1 
ATOM   468 C CG1 . ILE A 1 71  ? -5.829  8.423  11.694  1.00 32.84  ? 66  ILE A CG1 1 
ATOM   469 C CG2 . ILE A 1 71  ? -7.497  10.136 12.489  1.00 31.36  ? 66  ILE A CG2 1 
ATOM   470 C CD1 . ILE A 1 71  ? -4.664  9.369  11.875  1.00 34.60  ? 66  ILE A CD1 1 
ATOM   471 N N   . THR A 1 72  ? -10.474 8.914  11.909  1.00 25.40  ? 67  THR A N   1 
ATOM   472 C CA  . THR A 1 72  ? -11.767 9.583  11.759  1.00 24.71  ? 67  THR A CA  1 
ATOM   473 C C   . THR A 1 72  ? -11.610 11.106 11.845  1.00 22.53  ? 67  THR A C   1 
ATOM   474 O O   . THR A 1 72  ? -10.855 11.618 12.666  1.00 23.86  ? 67  THR A O   1 
ATOM   475 C CB  . THR A 1 72  ? -12.772 9.088  12.809  1.00 24.43  ? 67  THR A CB  1 
ATOM   476 O OG1 . THR A 1 72  ? -12.938 7.668  12.662  1.00 28.73  ? 67  THR A OG1 1 
ATOM   477 C CG2 . THR A 1 72  ? -14.146 9.769  12.625  1.00 22.77  ? 67  THR A CG2 1 
ATOM   478 N N   . ILE A 1 73  ? -12.319 11.810 10.977  1.00 20.98  ? 68  ILE A N   1 
ATOM   479 C CA  . ILE A 1 73  ? -12.377 13.253 11.003  1.00 21.34  ? 68  ILE A CA  1 
ATOM   480 C C   . ILE A 1 73  ? -13.733 13.618 11.587  1.00 21.22  ? 68  ILE A C   1 
ATOM   481 O O   . ILE A 1 73  ? -14.739 13.278 11.002  1.00 21.03  ? 68  ILE A O   1 
ATOM   482 C CB  . ILE A 1 73  ? -12.250 13.837 9.582   1.00 21.65  ? 68  ILE A CB  1 
ATOM   483 C CG1 . ILE A 1 73  ? -10.841 13.606 9.041   1.00 21.93  ? 68  ILE A CG1 1 
ATOM   484 C CG2 . ILE A 1 73  ? -12.533 15.354 9.587   1.00 21.70  ? 68  ILE A CG2 1 
ATOM   485 C CD1 . ILE A 1 73  ? -10.699 13.891 7.552   1.00 22.15  ? 68  ILE A CD1 1 
ATOM   486 N N   . PHE A 1 74  ? -13.770 14.291 12.743  1.00 21.25  ? 69  PHE A N   1 
ATOM   487 C CA  . PHE A 1 74  ? -15.044 14.599 13.394  1.00 21.83  ? 69  PHE A CA  1 
ATOM   488 C C   . PHE A 1 74  ? -15.486 16.028 13.165  1.00 22.84  ? 69  PHE A C   1 
ATOM   489 O O   . PHE A 1 74  ? -16.685 16.275 13.187  1.00 21.86  ? 69  PHE A O   1 
ATOM   490 C CB  . PHE A 1 74  ? -15.007 14.342 14.909  1.00 22.81  ? 69  PHE A CB  1 
ATOM   491 C CG  . PHE A 1 74  ? -14.830 12.902 15.282  1.00 23.09  ? 69  PHE A CG  1 
ATOM   492 C CD1 . PHE A 1 74  ? -15.915 12.019 15.242  1.00 25.46  ? 69  PHE A CD1 1 
ATOM   493 C CD2 . PHE A 1 74  ? -13.604 12.424 15.705  1.00 24.36  ? 69  PHE A CD2 1 
ATOM   494 C CE1 . PHE A 1 74  ? -15.751 10.695 15.595  1.00 24.41  ? 69  PHE A CE1 1 
ATOM   495 C CE2 . PHE A 1 74  ? -13.441 11.085 16.049  1.00 24.00  ? 69  PHE A CE2 1 
ATOM   496 C CZ  . PHE A 1 74  ? -14.516 10.233 16.006  1.00 25.52  ? 69  PHE A CZ  1 
ATOM   497 N N   . ASP A 1 75  ? -14.553 16.953 12.940  1.00 22.02  ? 70  ASP A N   1 
ATOM   498 C CA  . ASP A 1 75  ? -14.890 18.373 12.854  1.00 22.88  ? 70  ASP A CA  1 
ATOM   499 C C   . ASP A 1 75  ? -13.872 19.118 12.033  1.00 22.35  ? 70  ASP A C   1 
ATOM   500 O O   . ASP A 1 75  ? -12.933 18.509 11.522  1.00 22.30  ? 70  ASP A O   1 
ATOM   501 C CB  . ASP A 1 75  ? -15.003 18.966 14.265  1.00 25.89  ? 70  ASP A CB  1 
ATOM   502 C CG  . ASP A 1 75  ? -13.726 18.807 15.080  1.00 28.03  ? 70  ASP A CG  1 
ATOM   503 O OD1 . ASP A 1 75  ? -12.604 18.823 14.492  1.00 24.72  ? 70  ASP A OD1 1 
ATOM   504 O OD2 . ASP A 1 75  ? -13.857 18.693 16.329  1.00 30.07  ? 70  ASP A OD2 1 
ATOM   505 N N   . SER A 1 76  ? -14.039 20.435 11.905  1.00 22.42  ? 71  SER A N   1 
ATOM   506 C CA  . SER A 1 76  ? -13.190 21.238 11.033  1.00 22.85  ? 71  SER A CA  1 
ATOM   507 C C   . SER A 1 76  ? -11.706 21.284 11.437  1.00 22.44  ? 71  SER A C   1 
ATOM   508 O O   . SER A 1 76  ? -10.824 21.294 10.568  1.00 20.66  ? 71  SER A O   1 
ATOM   509 C CB  . SER A 1 76  ? -13.717 22.671 10.908  1.00 23.35  ? 71  SER A CB  1 
ATOM   510 O OG  . SER A 1 76  ? -15.016 22.686 10.361  1.00 23.20  ? 71  SER A OG  1 
ATOM   511 N N   . SER A 1 77  ? -11.425 21.321 12.739  1.00 23.82  ? 72  SER A N   1 
ATOM   512 C CA  . SER A 1 77  ? -10.036 21.307 13.191  1.00 25.10  ? 72  SER A CA  1 
ATOM   513 C C   . SER A 1 77  ? -9.358  19.970 12.858  1.00 22.86  ? 72  SER A C   1 
ATOM   514 O O   . SER A 1 77  ? -8.175  19.972 12.436  1.00 23.00  ? 72  SER A O   1 
ATOM   515 C CB  . SER A 1 77  ? -9.917  21.659 14.685  1.00 26.54  ? 72  SER A CB  1 
ATOM   516 O OG  . SER A 1 77  ? -10.872 20.961 15.439  1.00 30.56  ? 72  SER A OG  1 
ATOM   517 N N   . ASP A 1 78  ? -10.091 18.850 12.967  1.00 21.78  ? 73  ASP A N   1 
ATOM   518 C CA  . ASP A 1 78  ? -9.550  17.554 12.508  1.00 21.59  ? 73  ASP A CA  1 
ATOM   519 C C   . ASP A 1 78  ? -9.260  17.599 11.007  1.00 21.18  ? 73  ASP A C   1 
ATOM   520 O O   . ASP A 1 78  ? -8.232  17.064 10.532  1.00 19.83  ? 73  ASP A O   1 
ATOM   521 C CB  . ASP A 1 78  ? -10.513 16.404 12.732  1.00 21.95  ? 73  ASP A CB  1 
ATOM   522 C CG  . ASP A 1 78  ? -10.744 16.097 14.174  1.00 23.35  ? 73  ASP A CG  1 
ATOM   523 O OD1 . ASP A 1 78  ? -9.871  16.430 14.992  1.00 23.35  ? 73  ASP A OD1 1 
ATOM   524 O OD2 . ASP A 1 78  ? -11.799 15.488 14.464  1.00 23.19  ? 73  ASP A OD2 1 
ATOM   525 N N   . LEU A 1 79  ? -10.177 18.223 10.272  1.00 20.40  ? 74  LEU A N   1 
ATOM   526 C CA  . LEU A 1 79  ? -10.054 18.322 8.812   1.00 19.29  ? 74  LEU A CA  1 
ATOM   527 C C   . LEU A 1 79  ? -8.865  19.161 8.406   1.00 19.74  ? 74  LEU A C   1 
ATOM   528 O O   . LEU A 1 79  ? -8.078  18.757 7.572   1.00 18.10  ? 74  LEU A O   1 
ATOM   529 C CB  . LEU A 1 79  ? -11.364 18.844 8.207   1.00 19.13  ? 74  LEU A CB  1 
ATOM   530 C CG  . LEU A 1 79  ? -11.401 19.074 6.699   1.00 19.98  ? 74  LEU A CG  1 
ATOM   531 C CD1 . LEU A 1 79  ? -10.991 17.819 5.947   1.00 19.76  ? 74  LEU A CD1 1 
ATOM   532 C CD2 . LEU A 1 79  ? -12.797 19.476 6.264   1.00 20.29  ? 74  LEU A CD2 1 
ATOM   533 N N   A SER A 1 80  ? -8.734  20.336 9.012   0.50 21.10  ? 75  SER A N   1 
ATOM   534 N N   B SER A 1 80  ? -8.731  20.342 9.007   0.50 21.21  ? 75  SER A N   1 
ATOM   535 C CA  A SER A 1 80  ? -7.598  21.196 8.759   0.50 21.56  ? 75  SER A CA  1 
ATOM   536 C CA  B SER A 1 80  ? -7.587  21.207 8.757   0.50 21.73  ? 75  SER A CA  1 
ATOM   537 C C   A SER A 1 80  ? -6.257  20.489 9.001   0.50 21.52  ? 75  SER A C   1 
ATOM   538 C C   B SER A 1 80  ? -6.248  20.499 9.007   0.50 21.61  ? 75  SER A C   1 
ATOM   539 O O   A SER A 1 80  ? -5.352  20.574 8.180   0.50 21.80  ? 75  SER A O   1 
ATOM   540 O O   B SER A 1 80  ? -5.336  20.592 8.195   0.50 21.87  ? 75  SER A O   1 
ATOM   541 C CB  A SER A 1 80  ? -7.695  22.448 9.625   0.50 22.56  ? 75  SER A CB  1 
ATOM   542 C CB  B SER A 1 80  ? -7.690  22.475 9.611   0.50 22.82  ? 75  SER A CB  1 
ATOM   543 O OG  A SER A 1 80  ? -6.594  23.287 9.363   0.50 22.54  ? 75  SER A OG  1 
ATOM   544 O OG  B SER A 1 80  ? -8.649  23.366 9.071   0.50 23.02  ? 75  SER A OG  1 
ATOM   545 N N   . PHE A 1 81  ? -6.129  19.782 10.119  1.00 21.85  ? 76  PHE A N   1 
ATOM   546 C CA  . PHE A 1 81  ? -4.891  19.037 10.421  1.00 21.83  ? 76  PHE A CA  1 
ATOM   547 C C   . PHE A 1 81  ? -4.646  17.929 9.398   1.00 21.50  ? 76  PHE A C   1 
ATOM   548 O O   . PHE A 1 81  ? -3.520  17.728 8.970   1.00 22.37  ? 76  PHE A O   1 
ATOM   549 C CB  . PHE A 1 81  ? -4.917  18.443 11.836  1.00 21.66  ? 76  PHE A CB  1 
ATOM   550 C CG  . PHE A 1 81  ? -3.611  17.811 12.268  1.00 22.63  ? 76  PHE A CG  1 
ATOM   551 C CD1 . PHE A 1 81  ? -2.528  18.592 12.590  1.00 24.49  ? 76  PHE A CD1 1 
ATOM   552 C CD2 . PHE A 1 81  ? -3.479  16.427 12.362  1.00 23.29  ? 76  PHE A CD2 1 
ATOM   553 C CE1 . PHE A 1 81  ? -1.339  18.010 13.015  1.00 24.34  ? 76  PHE A CE1 1 
ATOM   554 C CE2 . PHE A 1 81  ? -2.297  15.846 12.779  1.00 24.16  ? 76  PHE A CE2 1 
ATOM   555 C CZ  . PHE A 1 81  ? -1.231  16.643 13.104  1.00 23.28  ? 76  PHE A CZ  1 
ATOM   556 N N   . ALA A 1 82  ? -5.714  17.235 9.006   1.00 20.72  ? 77  ALA A N   1 
ATOM   557 C CA  . ALA A 1 82  ? -5.639  16.175 8.046   1.00 20.27  ? 77  ALA A CA  1 
ATOM   558 C C   . ALA A 1 82  ? -5.125  16.726 6.720   1.00 19.59  ? 77  ALA A C   1 
ATOM   559 O O   . ALA A 1 82  ? -4.288  16.103 6.086   1.00 20.89  ? 77  ALA A O   1 
ATOM   560 C CB  . ALA A 1 82  ? -7.018  15.512 7.875   1.00 21.22  ? 77  ALA A CB  1 
ATOM   561 N N   . ILE A 1 83  ? -5.615  17.898 6.331   1.00 20.37  ? 78  ILE A N   1 
ATOM   562 C CA  . ILE A 1 83  ? -5.160  18.555 5.123   1.00 22.99  ? 78  ILE A CA  1 
ATOM   563 C C   . ILE A 1 83  ? -3.675  18.952 5.240   1.00 25.86  ? 78  ILE A C   1 
ATOM   564 O O   . ILE A 1 83  ? -2.912  18.750 4.305   1.00 26.15  ? 78  ILE A O   1 
ATOM   565 C CB  . ILE A 1 83  ? -6.082  19.746 4.763   1.00 23.84  ? 78  ILE A CB  1 
ATOM   566 C CG1 . ILE A 1 83  ? -7.387  19.186 4.180   1.00 23.24  ? 78  ILE A CG1 1 
ATOM   567 C CG2 . ILE A 1 83  ? -5.393  20.726 3.807   1.00 25.35  ? 78  ILE A CG2 1 
ATOM   568 C CD1 . ILE A 1 83  ? -8.516  20.167 4.171   1.00 24.29  ? 78  ILE A CD1 1 
ATOM   569 N N   . GLN A 1 84  ? -3.248  19.475 6.379   1.00 28.52  ? 79  GLN A N   1 
ATOM   570 C CA  . GLN A 1 84  ? -1.838  19.834 6.522   1.00 30.61  ? 79  GLN A CA  1 
ATOM   571 C C   . GLN A 1 84  ? -0.954  18.596 6.489   1.00 31.82  ? 79  GLN A C   1 
ATOM   572 O O   . GLN A 1 84  ? 0.100   18.582 5.846   1.00 34.12  ? 79  GLN A O   1 
ATOM   573 C CB  . GLN A 1 84  ? -1.623  20.676 7.775   1.00 36.07  ? 79  GLN A CB  1 
ATOM   574 C CG  . GLN A 1 84  ? -2.259  22.067 7.681   1.00 41.75  ? 79  GLN A CG  1 
ATOM   575 C CD  . GLN A 1 84  ? -1.859  22.853 6.416   1.00 48.09  ? 79  GLN A CD  1 
ATOM   576 O OE1 . GLN A 1 84  ? -0.664  23.013 6.120   1.00 51.56  ? 79  GLN A OE1 1 
ATOM   577 N NE2 . GLN A 1 84  ? -2.866  23.361 5.670   1.00 49.94  ? 79  GLN A NE2 1 
ATOM   578 N N   . CYS A 1 85  ? -1.410  17.529 7.119   1.00 30.33  ? 80  CYS A N   1 
ATOM   579 C CA  . CYS A 1 85  ? -0.720  16.241 7.037   1.00 34.23  ? 80  CYS A CA  1 
ATOM   580 C C   . CYS A 1 85  ? -0.752  15.612 5.641   1.00 39.28  ? 80  CYS A C   1 
ATOM   581 O O   . CYS A 1 85  ? -0.140  14.557 5.454   1.00 40.82  ? 80  CYS A O   1 
ATOM   582 C CB  . CYS A 1 85  ? -1.338  15.240 8.014   1.00 32.50  ? 80  CYS A CB  1 
ATOM   583 S SG  . CYS A 1 85  ? -1.090  15.677 9.730   1.00 34.89  ? 80  CYS A SG  1 
ATOM   584 N N   . SER A 1 86  ? -1.463  16.230 4.684   1.00 39.79  ? 81  SER A N   1 
ATOM   585 C CA  . SER A 1 86  ? -1.590  15.665 3.326   1.00 42.03  ? 81  SER A CA  1 
ATOM   586 C C   . SER A 1 86  ? -0.305  15.886 2.527   1.00 40.85  ? 81  SER A C   1 
ATOM   587 O O   . SER A 1 86  ? 0.140   14.974 1.821   1.00 45.79  ? 81  SER A O   1 
ATOM   588 C CB  . SER A 1 86  ? -2.840  16.200 2.567   1.00 42.18  ? 81  SER A CB  1 
ATOM   589 O OG  . SER A 1 86  ? -2.631  17.436 1.881   1.00 39.58  ? 81  SER A OG  1 
ATOM   590 N N   . ARG A 1 87  ? 0.294   17.071 2.691   1.00 36.16  ? 82  ARG A N   1 
ATOM   591 C CA  . ARG A 1 87  ? 1.411   17.515 1.882   1.00 36.53  ? 82  ARG A CA  1 
ATOM   592 C C   . ARG A 1 87  ? 2.663   16.733 2.264   1.00 31.18  ? 82  ARG A C   1 
ATOM   593 O O   . ARG A 1 87  ? 3.461   17.203 3.052   1.00 26.59  ? 82  ARG A O   1 
ATOM   594 C CB  . ARG A 1 87  ? 1.651   19.001 2.078   1.00 41.25  ? 82  ARG A CB  1 
ATOM   595 C CG  . ARG A 1 87  ? 0.450   19.888 1.803   1.00 48.23  ? 82  ARG A CG  1 
ATOM   596 C CD  . ARG A 1 87  ? 0.887   21.332 1.624   1.00 54.57  ? 82  ARG A CD  1 
ATOM   597 N NE  . ARG A 1 87  ? 1.891   21.436 0.555   1.00 58.87  ? 82  ARG A NE  1 
ATOM   598 C CZ  . ARG A 1 87  ? 2.675   22.488 0.341   1.00 59.60  ? 82  ARG A CZ  1 
ATOM   599 N NH1 . ARG A 1 87  ? 2.593   23.568 1.120   1.00 61.62  ? 82  ARG A NH1 1 
ATOM   600 N NH2 . ARG A 1 87  ? 3.550   22.453 -0.662  1.00 59.70  ? 82  ARG A NH2 1 
ATOM   601 N N   . ILE A 1 88  ? 2.757   15.514 1.749   1.00 30.37  ? 83  ILE A N   1 
ATOM   602 C CA  . ILE A 1 88  ? 3.928   14.648 1.926   1.00 31.39  ? 83  ILE A CA  1 
ATOM   603 C C   . ILE A 1 88  ? 4.441   14.269 0.546   1.00 29.29  ? 83  ILE A C   1 
ATOM   604 O O   . ILE A 1 88  ? 3.678   13.719 -0.291  1.00 29.45  ? 83  ILE A O   1 
ATOM   605 C CB  . ILE A 1 88  ? 3.619   13.300 2.639   1.00 35.10  ? 83  ILE A CB  1 
ATOM   606 C CG1 . ILE A 1 88  ? 2.801   13.470 3.926   1.00 39.29  ? 83  ILE A CG1 1 
ATOM   607 C CG2 . ILE A 1 88  ? 4.906   12.538 2.953   1.00 33.43  ? 83  ILE A CG2 1 
ATOM   608 C CD1 . ILE A 1 88  ? 3.473   14.237 5.051   1.00 40.62  ? 83  ILE A CD1 1 
ATOM   609 N N   . LEU A 1 89  ? 5.721   14.514 0.294   1.00 23.22  ? 84  LEU A N   1 
ATOM   610 C CA  . LEU A 1 89  ? 6.311   14.013 -0.934  1.00 22.75  ? 84  LEU A CA  1 
ATOM   611 C C   . LEU A 1 89  ? 7.175   12.820 -0.527  1.00 20.39  ? 84  LEU A C   1 
ATOM   612 O O   . LEU A 1 89  ? 8.116   12.991 0.238   1.00 18.87  ? 84  LEU A O   1 
ATOM   613 C CB  . LEU A 1 89  ? 7.104   15.111 -1.622  1.00 22.49  ? 84  LEU A CB  1 
ATOM   614 C CG  . LEU A 1 89  ? 7.973   14.736 -2.832  1.00 23.49  ? 84  LEU A CG  1 
ATOM   615 C CD1 . LEU A 1 89  ? 7.169   14.373 -4.049  1.00 24.47  ? 84  LEU A CD1 1 
ATOM   616 C CD2 . LEU A 1 89  ? 8.886   15.896 -3.150  1.00 25.04  ? 84  LEU A CD2 1 
ATOM   617 N N   . LYS A 1 90  ? 6.818   11.638 -1.018  1.00 20.80  ? 85  LYS A N   1 
ATOM   618 C CA  . LYS A 1 90  ? 7.480   10.381 -0.684  1.00 22.74  ? 85  LYS A CA  1 
ATOM   619 C C   . LYS A 1 90  ? 8.474   10.014 -1.761  1.00 20.19  ? 85  LYS A C   1 
ATOM   620 O O   . LYS A 1 90  ? 8.111   9.719  -2.899  1.00 21.82  ? 85  LYS A O   1 
ATOM   621 C CB  . LYS A 1 90  ? 6.467   9.261  -0.532  1.00 27.47  ? 85  LYS A CB  1 
ATOM   622 C CG  . LYS A 1 90  ? 5.560   9.457  0.674   1.00 35.19  ? 85  LYS A CG  1 
ATOM   623 C CD  . LYS A 1 90  ? 4.266   8.660  0.555   1.00 40.01  ? 85  LYS A CD  1 
ATOM   624 C CE  . LYS A 1 90  ? 3.444   8.684  1.843   1.00 46.11  ? 85  LYS A CE  1 
ATOM   625 N NZ  . LYS A 1 90  ? 3.916   7.669  2.835   1.00 50.29  ? 85  LYS A NZ  1 
ATOM   626 N N   . LEU A 1 91  ? 9.745   10.074 -1.416  1.00 18.90  ? 86  LEU A N   1 
ATOM   627 C CA  . LEU A 1 91  ? 10.788  9.829  -2.394  1.00 18.21  ? 86  LEU A CA  1 
ATOM   628 C C   . LEU A 1 91  ? 11.486  8.524  -2.086  1.00 19.20  ? 86  LEU A C   1 
ATOM   629 O O   . LEU A 1 91  ? 11.699  8.178  -0.916  1.00 19.58  ? 86  LEU A O   1 
ATOM   630 C CB  . LEU A 1 91  ? 11.831  10.934 -2.326  1.00 17.53  ? 86  LEU A CB  1 
ATOM   631 C CG  . LEU A 1 91  ? 11.359  12.375 -2.604  1.00 17.51  ? 86  LEU A CG  1 
ATOM   632 C CD1 . LEU A 1 91  ? 12.552  13.304 -2.436  1.00 18.76  ? 86  LEU A CD1 1 
ATOM   633 C CD2 . LEU A 1 91  ? 10.718  12.531 -3.963  1.00 18.31  ? 86  LEU A CD2 1 
ATOM   634 N N   . THR A 1 92  ? 11.918  7.840  -3.135  1.00 20.62  ? 87  THR A N   1 
ATOM   635 C CA  . THR A 1 92  ? 12.855  6.766  -2.961  1.00 23.32  ? 87  THR A CA  1 
ATOM   636 C C   . THR A 1 92  ? 14.114  7.088  -3.753  1.00 21.27  ? 87  THR A C   1 
ATOM   637 O O   . THR A 1 92  ? 14.057  7.549  -4.898  1.00 20.25  ? 87  THR A O   1 
ATOM   638 C CB  . THR A 1 92  ? 12.226  5.393  -3.304  1.00 25.08  ? 87  THR A CB  1 
ATOM   639 O OG1 . THR A 1 92  ? 11.949  5.317  -4.685  1.00 36.51  ? 87  THR A OG1 1 
ATOM   640 C CG2 . THR A 1 92  ? 10.938  5.256  -2.624  1.00 24.35  ? 87  THR A CG2 1 
ATOM   641 N N   . LEU A 1 93  ? 15.244  6.887  -3.099  1.00 21.48  ? 88  LEU A N   1 
ATOM   642 C CA  . LEU A 1 93  ? 16.526  7.251  -3.640  1.00 23.33  ? 88  LEU A CA  1 
ATOM   643 C C   . LEU A 1 93  ? 17.259  6.018  -4.134  1.00 25.35  ? 88  LEU A C   1 
ATOM   644 O O   . LEU A 1 93  ? 17.164  4.940  -3.534  1.00 24.58  ? 88  LEU A O   1 
ATOM   645 C CB  . LEU A 1 93  ? 17.354  7.931  -2.576  1.00 25.39  ? 88  LEU A CB  1 
ATOM   646 C CG  . LEU A 1 93  ? 16.789  9.203  -1.942  1.00 27.39  ? 88  LEU A CG  1 
ATOM   647 C CD1 . LEU A 1 93  ? 17.863  9.811  -1.045  1.00 29.54  ? 88  LEU A CD1 1 
ATOM   648 C CD2 . LEU A 1 93  ? 16.361  10.217 -2.973  1.00 28.46  ? 88  LEU A CD2 1 
ATOM   649 N N   . PHE A 1 94  ? 17.991  6.197  -5.228  1.00 26.64  ? 89  PHE A N   1 
ATOM   650 C CA  . PHE A 1 94  ? 18.825  5.151  -5.818  1.00 27.72  ? 89  PHE A CA  1 
ATOM   651 C C   . PHE A 1 94  ? 20.255  5.651  -5.895  1.00 28.03  ? 89  PHE A C   1 
ATOM   652 O O   . PHE A 1 94  ? 20.507  6.806  -6.269  1.00 26.42  ? 89  PHE A O   1 
ATOM   653 C CB  . PHE A 1 94  ? 18.307  4.800  -7.211  1.00 29.01  ? 89  PHE A CB  1 
ATOM   654 C CG  . PHE A 1 94  ? 16.911  4.256  -7.210  1.00 28.52  ? 89  PHE A CG  1 
ATOM   655 C CD1 . PHE A 1 94  ? 15.820  5.104  -7.116  1.00 26.65  ? 89  PHE A CD1 1 
ATOM   656 C CD2 . PHE A 1 94  ? 16.690  2.897  -7.290  1.00 30.20  ? 89  PHE A CD2 1 
ATOM   657 C CE1 . PHE A 1 94  ? 14.535  4.607  -7.083  1.00 27.77  ? 89  PHE A CE1 1 
ATOM   658 C CE2 . PHE A 1 94  ? 15.406  2.393  -7.275  1.00 29.98  ? 89  PHE A CE2 1 
ATOM   659 C CZ  . PHE A 1 94  ? 14.321  3.251  -7.173  1.00 29.14  ? 89  PHE A CZ  1 
ATOM   660 N N   . VAL A 1 95  ? 21.198  4.798  -5.512  1.00 28.24  ? 90  VAL A N   1 
ATOM   661 C CA  . VAL A 1 95  ? 22.616  5.156  -5.543  1.00 29.51  ? 90  VAL A CA  1 
ATOM   662 C C   . VAL A 1 95  ? 23.241  4.367  -6.684  1.00 31.02  ? 90  VAL A C   1 
ATOM   663 O O   . VAL A 1 95  ? 23.180  3.133  -6.695  1.00 29.45  ? 90  VAL A O   1 
ATOM   664 C CB  . VAL A 1 95  ? 23.311  4.880  -4.182  1.00 29.55  ? 90  VAL A CB  1 
ATOM   665 C CG1 . VAL A 1 95  ? 24.782  5.215  -4.236  1.00 30.94  ? 90  VAL A CG1 1 
ATOM   666 C CG2 . VAL A 1 95  ? 22.652  5.713  -3.096  1.00 30.62  ? 90  VAL A CG2 1 
ATOM   667 N N   . ASN A 1 96  ? 23.783  5.090  -7.669  1.00 32.48  ? 91  ASN A N   1 
ATOM   668 C CA  . ASN A 1 96  ? 24.338  4.464  -8.859  1.00 36.16  ? 91  ASN A CA  1 
ATOM   669 C C   . ASN A 1 96  ? 23.355  3.410  -9.385  1.00 36.67  ? 91  ASN A C   1 
ATOM   670 O O   . ASN A 1 96  ? 23.731  2.280  -9.665  1.00 36.80  ? 91  ASN A O   1 
ATOM   671 C CB  . ASN A 1 96  ? 25.706  3.838  -8.513  1.00 33.92  ? 91  ASN A CB  1 
ATOM   672 C CG  . ASN A 1 96  ? 26.650  4.830  -7.841  1.00 34.10  ? 91  ASN A CG  1 
ATOM   673 O OD1 . ASN A 1 96  ? 26.791  5.966  -8.291  1.00 32.69  ? 91  ASN A OD1 1 
ATOM   674 N ND2 . ASN A 1 96  ? 27.293  4.408  -6.745  1.00 33.99  ? 91  ASN A ND2 1 
ATOM   675 N N   . GLY A 1 97  ? 22.076  3.787  -9.458  1.00 38.98  ? 92  GLY A N   1 
ATOM   676 C CA  . GLY A 1 97  ? 21.009  2.899  -9.924  1.00 38.32  ? 92  GLY A CA  1 
ATOM   677 C C   . GLY A 1 97  ? 20.488  1.838  -8.967  1.00 39.11  ? 92  GLY A C   1 
ATOM   678 O O   . GLY A 1 97  ? 19.553  1.101  -9.307  1.00 39.03  ? 92  GLY A O   1 
ATOM   679 N N   . GLN A 1 98  ? 21.071  1.742  -7.776  1.00 41.16  ? 93  GLN A N   1 
ATOM   680 C CA  . GLN A 1 98  ? 20.689  0.710  -6.818  1.00 44.41  ? 93  GLN A CA  1 
ATOM   681 C C   . GLN A 1 98  ? 19.836  1.299  -5.687  1.00 44.76  ? 93  GLN A C   1 
ATOM   682 O O   . GLN A 1 98  ? 20.244  2.289  -5.061  1.00 39.67  ? 93  GLN A O   1 
ATOM   683 C CB  . GLN A 1 98  ? 21.933  0.045  -6.216  1.00 45.47  ? 93  GLN A CB  1 
ATOM   684 C CG  . GLN A 1 98  ? 22.859  -0.598 -7.247  1.00 46.81  ? 93  GLN A CG  1 
ATOM   685 C CD  . GLN A 1 98  ? 22.188  -1.707 -8.046  1.00 49.38  ? 93  GLN A CD  1 
ATOM   686 O OE1 . GLN A 1 98  ? 22.330  -1.789 -9.273  1.00 53.57  ? 93  GLN A OE1 1 
ATOM   687 N NE2 . GLN A 1 98  ? 21.456  -2.572 -7.353  1.00 50.78  ? 93  GLN A NE2 1 
ATOM   688 N N   . PRO A 1 99  ? 18.667  0.675  -5.407  1.00 44.82  ? 94  PRO A N   1 
ATOM   689 C CA  . PRO A 1 99  ? 17.818  1.096  -4.285  1.00 43.73  ? 94  PRO A CA  1 
ATOM   690 C C   . PRO A 1 99  ? 18.340  0.645  -2.925  1.00 41.77  ? 94  PRO A C   1 
ATOM   691 O O   . PRO A 1 99  ? 17.984  1.245  -1.891  1.00 39.31  ? 94  PRO A O   1 
ATOM   692 C CB  . PRO A 1 99  ? 16.476  0.409  -4.581  1.00 46.62  ? 94  PRO A CB  1 
ATOM   693 C CG  . PRO A 1 99  ? 16.843  -0.812 -5.363  1.00 47.29  ? 94  PRO A CG  1 
ATOM   694 C CD  . PRO A 1 99  ? 18.071  -0.451 -6.158  1.00 46.52  ? 94  PRO A CD  1 
ATOM   695 N N   . ARG A 1 100 ? 19.164  -0.407 -2.919  1.00 42.77  ? 95  ARG A N   1 
ATOM   696 C CA  . ARG A 1 100 ? 19.630  -1.027 -1.672  1.00 43.78  ? 95  ARG A CA  1 
ATOM   697 C C   . ARG A 1 100 ? 21.152  -1.253 -1.712  1.00 46.57  ? 95  ARG A C   1 
ATOM   698 O O   . ARG A 1 100 ? 21.617  -2.392 -1.629  1.00 43.45  ? 95  ARG A O   1 
ATOM   699 C CB  . ARG A 1 100 ? 18.856  -2.336 -1.397  1.00 43.62  ? 95  ARG A CB  1 
ATOM   700 C CG  . ARG A 1 100 ? 17.424  -2.116 -0.898  1.00 44.63  ? 95  ARG A CG  1 
ATOM   701 C CD  . ARG A 1 100 ? 16.627  -3.416 -0.760  1.00 44.38  ? 95  ARG A CD  1 
ATOM   702 N NE  . ARG A 1 100 ? 16.405  -4.079 -2.049  1.00 44.94  ? 95  ARG A NE  1 
ATOM   703 C CZ  . ARG A 1 100 ? 15.385  -3.841 -2.885  1.00 48.82  ? 95  ARG A CZ  1 
ATOM   704 N NH1 . ARG A 1 100 ? 14.446  -2.935 -2.603  1.00 47.96  ? 95  ARG A NH1 1 
ATOM   705 N NH2 . ARG A 1 100 ? 15.303  -4.515 -4.029  1.00 48.55  ? 95  ARG A NH2 1 
ATOM   706 N N   . PRO A 1 101 ? 21.932  -0.156 -1.819  1.00 49.64  ? 96  PRO A N   1 
ATOM   707 C CA  . PRO A 1 101 ? 23.400  -0.229 -1.881  1.00 51.59  ? 96  PRO A CA  1 
ATOM   708 C C   . PRO A 1 101 ? 24.070  -0.702 -0.560  1.00 56.29  ? 96  PRO A C   1 
ATOM   709 O O   . PRO A 1 101 ? 25.296  -0.854 -0.459  1.00 53.97  ? 96  PRO A O   1 
ATOM   710 C CB  . PRO A 1 101 ? 23.791  1.219  -2.179  1.00 51.84  ? 96  PRO A CB  1 
ATOM   711 C CG  . PRO A 1 101 ? 22.728  2.020  -1.496  1.00 49.75  ? 96  PRO A CG  1 
ATOM   712 C CD  . PRO A 1 101 ? 21.465  1.243  -1.736  1.00 49.38  ? 96  PRO A CD  1 
ATOM   713 O OXT . PRO A 1 101 ? 23.415  -0.941 0.465   1.00 60.08  ? 96  PRO A OXT 1 
HETATM 714 O O   . HOH B 2 .   ? -4.859  13.327 12.435  1.00 39.11  ? 101 HOH A O   1 
HETATM 715 O O   . HOH B 2 .   ? -20.633 4.077  -3.770  1.00 38.83  ? 102 HOH A O   1 
HETATM 716 O O   . HOH B 2 .   ? -9.599  3.717  11.684  1.00 54.10  ? 103 HOH A O   1 
HETATM 717 O O   . HOH B 2 .   ? -20.624 12.315 -8.978  1.00 49.02  ? 104 HOH A O   1 
HETATM 718 O O   . HOH B 2 .   ? -29.409 5.489  -6.707  1.00 29.85  ? 105 HOH A O   1 
HETATM 719 O O   . HOH B 2 .   ? -20.934 13.502 9.529   1.00 24.89  ? 106 HOH A O   1 
HETATM 720 O O   . HOH B 2 .   ? -16.127 24.831 11.205  1.00 37.91  ? 107 HOH A O   1 
HETATM 721 O O   . HOH B 2 .   ? 21.516  6.301  -9.188  1.00 45.92  ? 108 HOH A O   1 
HETATM 722 O O   . HOH B 2 .   ? -24.897 3.322  -1.977  1.00 31.51  ? 109 HOH A O   1 
HETATM 723 O O   . HOH B 2 .   ? 16.165  3.187  -1.869  1.00 27.37  ? 110 HOH A O   1 
HETATM 724 O O   . HOH B 2 .   ? -20.660 27.178 2.582   1.00 41.81  ? 111 HOH A O   1 
HETATM 725 O O   . HOH B 2 .   ? -6.993  21.685 -6.795  1.00 50.81  ? 112 HOH A O   1 
HETATM 726 O O   . HOH B 2 .   ? -26.590 12.530 -1.948  1.00 35.69  ? 113 HOH A O   1 
HETATM 727 O O   . HOH B 2 .   ? -19.765 25.229 7.421   1.00 33.52  ? 114 HOH A O   1 
HETATM 728 O O   . HOH B 2 .   ? -14.648 20.877 -6.292  1.00 39.03  ? 115 HOH A O   1 
HETATM 729 O O   . HOH B 2 .   ? -27.027 17.269 1.146   1.00 29.66  ? 116 HOH A O   1 
HETATM 730 O O   . HOH B 2 .   ? -18.423 18.318 13.309  1.00 30.77  ? 117 HOH A O   1 
HETATM 731 O O   . HOH B 2 .   ? -23.074 19.147 6.206   1.00 19.30  ? 118 HOH A O   1 
HETATM 732 O O   . HOH B 2 .   ? -22.517 17.820 8.484   1.00 28.92  ? 119 HOH A O   1 
HETATM 733 O O   . HOH B 2 .   ? -16.977 11.767 10.325  1.00 18.39  ? 120 HOH A O   1 
HETATM 734 O O   . HOH B 2 .   ? -24.748 17.775 -7.941  1.00 67.23  ? 121 HOH A O   1 
HETATM 735 O O   . HOH B 2 .   ? -31.068 9.047  -3.408  1.00 37.89  ? 122 HOH A O   1 
HETATM 736 O O   . HOH B 2 .   ? -26.801 11.622 2.909   1.00 30.98  ? 123 HOH A O   1 
HETATM 737 O O   . HOH B 2 .   ? -29.219 15.197 3.414   1.00 43.10  ? 124 HOH A O   1 
HETATM 738 O O   . HOH B 2 .   ? -4.972  16.195 -11.099 1.00 41.49  ? 125 HOH A O   1 
HETATM 739 O O   . HOH B 2 .   ? 26.091  -3.453 0.278   1.00 43.72  ? 126 HOH A O   1 
HETATM 740 O O   . HOH B 2 .   ? -7.027  14.870 11.824  1.00 28.72  ? 127 HOH A O   1 
HETATM 741 O O   . HOH B 2 .   ? -9.817  11.326 15.279  1.00 38.31  ? 128 HOH A O   1 
HETATM 742 O O   . HOH B 2 .   ? -15.702 25.103 1.023   1.00 52.79  ? 129 HOH A O   1 
HETATM 743 O O   . HOH B 2 .   ? -27.831 13.263 6.443   1.00 46.58  ? 130 HOH A O   1 
HETATM 744 O O   . HOH B 2 .   ? -25.128 17.579 5.364   1.00 25.67  ? 131 HOH A O   1 
HETATM 745 O O   . HOH B 2 .   ? 4.738   11.403 -3.069  1.00 27.83  ? 132 HOH A O   1 
HETATM 746 O O   . HOH B 2 .   ? 20.928  0.225  1.551   1.00 38.98  ? 133 HOH A O   1 
HETATM 747 O O   . HOH B 2 .   ? -24.201 12.757 7.862   1.00 46.69  ? 134 HOH A O   1 
HETATM 748 O O   . HOH B 2 .   ? -16.788 21.304 12.576  1.00 26.64  ? 135 HOH A O   1 
HETATM 749 O O   . HOH B 2 .   ? -20.727 -0.926 -6.348  1.00 55.49  ? 136 HOH A O   1 
HETATM 750 O O   . HOH B 2 .   ? -18.144 22.241 10.205  1.00 21.38  ? 137 HOH A O   1 
HETATM 751 O O   . HOH B 2 .   ? -3.546  13.534 4.635   1.00 29.31  ? 138 HOH A O   1 
HETATM 752 O O   . HOH B 2 .   ? -13.552 22.317 14.729  1.00 29.98  ? 139 HOH A O   1 
HETATM 753 O O   . HOH B 2 .   ? -33.794 15.569 3.624   1.00 52.69  ? 140 HOH A O   1 
HETATM 754 O O   . HOH B 2 .   ? -22.767 9.764  -7.971  1.00 47.86  ? 141 HOH A O   1 
HETATM 755 O O   . HOH B 2 .   ? -33.698 10.618 0.067   1.00 38.17  ? 142 HOH A O   1 
HETATM 756 O O   . HOH B 2 .   ? 9.324   7.164  0.995   1.00 41.28  ? 143 HOH A O   1 
HETATM 757 O O   . HOH B 2 .   ? -8.427  13.582 13.756  1.00 42.02  ? 144 HOH A O   1 
HETATM 758 O O   . HOH B 2 .   ? -18.262 10.428 12.398  1.00 43.18  ? 145 HOH A O   1 
HETATM 759 O O   . HOH B 2 .   ? -13.898 1.493  1.369   1.00 34.72  ? 146 HOH A O   1 
HETATM 760 O O   . HOH B 2 .   ? -25.983 2.594  -5.237  1.00 37.54  ? 147 HOH A O   1 
HETATM 761 O O   . HOH B 2 .   ? -22.240 23.927 5.933   1.00 33.54  ? 148 HOH A O   1 
HETATM 762 O O   . HOH B 2 .   ? -17.648 8.047  13.987  1.00 34.73  ? 149 HOH A O   1 
HETATM 763 O O   . HOH B 2 .   ? -17.769 25.266 -1.009  1.00 44.61  ? 150 HOH A O   1 
HETATM 764 O O   . HOH B 2 .   ? -23.081 15.331 9.016   1.00 43.43  ? 151 HOH A O   1 
# 
