data_9GYD
# 
_entry.id   9GYD 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9GYD         pdb_00009gyd 10.2210/pdb9gyd/pdb 
WWPDB D_1292142165 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-05-28 ? 
2 'Structure model' 1 1 2025-06-11 ? 
# 
_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' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
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.page_first'              
2 2 'Structure model' '_citation.page_last'               
3 2 'Structure model' '_citation.title'                   
4 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9GYD 
_pdbx_database_status.recvd_initial_deposition_date   2024-10-01 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              kylie.vincent@chem.ox.ac.uk 
_pdbx_contact_author.name_first         Kylie 
_pdbx_contact_author.name_last          Vincent 
_pdbx_contact_author.name_mi            A 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-6444-9382 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Carr, S.B.'    1 0000-0002-1473-457X 
'Wei, J.'       2 ?                   
'Vincent, K.A.' 3 0000-0001-6444-9382 
# 
_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                   GE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Chembiochem 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1439-7633 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                e2500251 
_citation.page_last                 e2500251 
_citation.title                     
'Cyanophenylalanine as an Infrared Probe for Iron-Sulfur Cluster Redox State in Multicenter Metalloenzymes.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/cbic.202500251 
_citation.pdbx_database_id_PubMed   40347495 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Duan, Z.'            1 ?                   
primary 'Wei, J.'             2 ?                   
primary 'Carr, S.B.'          3 0000-0002-1473-457X 
primary 'Ramirez, M.'         4 ?                   
primary 'Evans, R.M.'         5 ?                   
primary 'Ash, P.A.'           6 0000-0001-5264-464X 
primary 'Rodriguez-Macia, P.' 7 0000-0003-3513-0115 
primary 'Sachdeva, A.'        8 0000-0002-3704-5750 
primary 'Vincent, K.A.'       9 0000-0001-6444-9382 
# 
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 'Ferredoxin-1, chloroplastic' 11273.257 1   ? ? ? 'Wild-type ferredoxin as-isolated state' 
2 non-polymer syn 'FE2/S2 (INORGANIC) CLUSTER'  175.820   1   ? ? ? ?                                        
3 water       nat water                         18.015    147 ? ? ? ?                                        
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Ferredoxin I,Fd I' 
# 
_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       
;GPLGSPEFAAYKVTLVTPTGNVEFQCPDDVYILDAAEEEGIDLPYSCRAGSCSSCAGKLKTGSLNQDDQSFLDDDQIDEG
WVLTCAAYPVSDVTIETHKEEELTA
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GPLGSPEFAAYKVTLVTPTGNVEFQCPDDVYILDAAEEEGIDLPYSCRAGSCSSCAGKLKTGSLNQDDQSFLDDDQIDEG
WVLTCAAYPVSDVTIETHKEEELTA
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'FE2/S2 (INORGANIC) CLUSTER' FES 
3 water                        HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   PRO n 
1 3   LEU n 
1 4   GLY n 
1 5   SER n 
1 6   PRO n 
1 7   GLU n 
1 8   PHE n 
1 9   ALA n 
1 10  ALA n 
1 11  TYR n 
1 12  LYS n 
1 13  VAL n 
1 14  THR n 
1 15  LEU n 
1 16  VAL n 
1 17  THR n 
1 18  PRO n 
1 19  THR n 
1 20  GLY n 
1 21  ASN n 
1 22  VAL n 
1 23  GLU n 
1 24  PHE n 
1 25  GLN n 
1 26  CYS n 
1 27  PRO n 
1 28  ASP n 
1 29  ASP n 
1 30  VAL n 
1 31  TYR n 
1 32  ILE n 
1 33  LEU n 
1 34  ASP n 
1 35  ALA n 
1 36  ALA n 
1 37  GLU n 
1 38  GLU n 
1 39  GLU n 
1 40  GLY n 
1 41  ILE n 
1 42  ASP n 
1 43  LEU n 
1 44  PRO n 
1 45  TYR n 
1 46  SER n 
1 47  CYS n 
1 48  ARG n 
1 49  ALA n 
1 50  GLY n 
1 51  SER n 
1 52  CYS n 
1 53  SER n 
1 54  SER n 
1 55  CYS n 
1 56  ALA n 
1 57  GLY n 
1 58  LYS n 
1 59  LEU n 
1 60  LYS n 
1 61  THR n 
1 62  GLY n 
1 63  SER n 
1 64  LEU n 
1 65  ASN n 
1 66  GLN n 
1 67  ASP n 
1 68  ASP n 
1 69  GLN n 
1 70  SER n 
1 71  PHE n 
1 72  LEU n 
1 73  ASP n 
1 74  ASP n 
1 75  ASP n 
1 76  GLN n 
1 77  ILE n 
1 78  ASP n 
1 79  GLU n 
1 80  GLY n 
1 81  TRP n 
1 82  VAL n 
1 83  LEU n 
1 84  THR n 
1 85  CYS n 
1 86  ALA n 
1 87  ALA n 
1 88  TYR n 
1 89  PRO n 
1 90  VAL n 
1 91  SER n 
1 92  ASP n 
1 93  VAL n 
1 94  THR n 
1 95  ILE n 
1 96  GLU n 
1 97  THR n 
1 98  HIS n 
1 99  LYS n 
1 100 GLU n 
1 101 GLU n 
1 102 GLU n 
1 103 LEU n 
1 104 THR n 
1 105 ALA n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   105 
_entity_src_gen.gene_src_common_name               spinach 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 PETF 
_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      'Spinacia oleracea' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     3562 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                      ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                     ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                   ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'              ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                     ? 'C3 H7 N O2 S'   121.158 
FES non-polymer         . 'FE2/S2 (INORGANIC) CLUSTER' ? 'Fe2 S2'         175.820 
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 
PHE 'L-peptide linking' y PHENYLALANINE                ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                      ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                       ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE                    ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                   ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                     ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                       ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   -7 ?  ?   ?   A . n 
A 1 2   PRO 2   -6 ?  ?   ?   A . n 
A 1 3   LEU 3   -5 ?  ?   ?   A . n 
A 1 4   GLY 4   -4 -4 GLY GLY A . n 
A 1 5   SER 5   -3 -3 SER SER A . n 
A 1 6   PRO 6   -2 -2 PRO PRO A . n 
A 1 7   GLU 7   -1 -1 GLU GLU A . n 
A 1 8   PHE 8   0  0  PHE PHE A . n 
A 1 9   ALA 9   1  1  ALA ALA A . n 
A 1 10  ALA 10  2  2  ALA ALA A . n 
A 1 11  TYR 11  3  3  TYR TYR A . n 
A 1 12  LYS 12  4  4  LYS LYS A . n 
A 1 13  VAL 13  5  5  VAL VAL A . n 
A 1 14  THR 14  6  6  THR THR A . n 
A 1 15  LEU 15  7  7  LEU LEU A . n 
A 1 16  VAL 16  8  8  VAL VAL A . n 
A 1 17  THR 17  9  9  THR THR A . n 
A 1 18  PRO 18  10 10 PRO PRO A . n 
A 1 19  THR 19  11 11 THR THR A . n 
A 1 20  GLY 20  12 12 GLY GLY A . n 
A 1 21  ASN 21  13 13 ASN ASN A . n 
A 1 22  VAL 22  14 14 VAL VAL A . n 
A 1 23  GLU 23  15 15 GLU GLU A . n 
A 1 24  PHE 24  16 16 PHE PHE A . n 
A 1 25  GLN 25  17 17 GLN GLN A . n 
A 1 26  CYS 26  18 18 CYS CYS A . n 
A 1 27  PRO 27  19 19 PRO PRO A . n 
A 1 28  ASP 28  20 20 ASP ASP A . n 
A 1 29  ASP 29  21 21 ASP ASP A . n 
A 1 30  VAL 30  22 22 VAL VAL A . n 
A 1 31  TYR 31  23 23 TYR TYR A . n 
A 1 32  ILE 32  24 24 ILE ILE A . n 
A 1 33  LEU 33  25 25 LEU LEU A . n 
A 1 34  ASP 34  26 26 ASP ASP A . n 
A 1 35  ALA 35  27 27 ALA ALA A . n 
A 1 36  ALA 36  28 28 ALA ALA A . n 
A 1 37  GLU 37  29 29 GLU GLU A . n 
A 1 38  GLU 38  30 30 GLU GLU A . n 
A 1 39  GLU 39  31 31 GLU GLU A . n 
A 1 40  GLY 40  32 32 GLY GLY A . n 
A 1 41  ILE 41  33 33 ILE ILE A . n 
A 1 42  ASP 42  34 34 ASP ASP A . n 
A 1 43  LEU 43  35 35 LEU LEU A . n 
A 1 44  PRO 44  36 36 PRO PRO A . n 
A 1 45  TYR 45  37 37 TYR TYR A . n 
A 1 46  SER 46  38 38 SER SER A . n 
A 1 47  CYS 47  39 39 CYS CYS A . n 
A 1 48  ARG 48  40 40 ARG ARG A . n 
A 1 49  ALA 49  41 41 ALA ALA A . n 
A 1 50  GLY 50  42 42 GLY GLY A . n 
A 1 51  SER 51  43 43 SER SER A . n 
A 1 52  CYS 52  44 44 CYS CYS A . n 
A 1 53  SER 53  45 45 SER SER A . n 
A 1 54  SER 54  46 46 SER SER A . n 
A 1 55  CYS 55  47 47 CYS CYS A . n 
A 1 56  ALA 56  48 48 ALA ALA A . n 
A 1 57  GLY 57  49 49 GLY GLY A . n 
A 1 58  LYS 58  50 50 LYS LYS A . n 
A 1 59  LEU 59  51 51 LEU LEU A . n 
A 1 60  LYS 60  52 52 LYS LYS A . n 
A 1 61  THR 61  53 53 THR THR A . n 
A 1 62  GLY 62  54 54 GLY GLY A . n 
A 1 63  SER 63  55 55 SER SER A . n 
A 1 64  LEU 64  56 56 LEU LEU A . n 
A 1 65  ASN 65  57 57 ASN ASN A . n 
A 1 66  GLN 66  58 58 GLN GLN A . n 
A 1 67  ASP 67  59 59 ASP ASP A . n 
A 1 68  ASP 68  60 60 ASP ASP A . n 
A 1 69  GLN 69  61 61 GLN GLN A . n 
A 1 70  SER 70  62 62 SER SER A . n 
A 1 71  PHE 71  63 63 PHE PHE A . n 
A 1 72  LEU 72  64 64 LEU LEU A . n 
A 1 73  ASP 73  65 65 ASP ASP A . n 
A 1 74  ASP 74  66 66 ASP ASP A . n 
A 1 75  ASP 75  67 67 ASP ASP A . n 
A 1 76  GLN 76  68 68 GLN GLN A . n 
A 1 77  ILE 77  69 69 ILE ILE A . n 
A 1 78  ASP 78  70 70 ASP ASP A . n 
A 1 79  GLU 79  71 71 GLU GLU A . n 
A 1 80  GLY 80  72 72 GLY GLY A . n 
A 1 81  TRP 81  73 73 TRP TRP A . n 
A 1 82  VAL 82  74 74 VAL VAL A . n 
A 1 83  LEU 83  75 75 LEU LEU A . n 
A 1 84  THR 84  76 76 THR THR A . n 
A 1 85  CYS 85  77 77 CYS CYS A . n 
A 1 86  ALA 86  78 78 ALA ALA A . n 
A 1 87  ALA 87  79 79 ALA ALA A . n 
A 1 88  TYR 88  80 80 TYR TYR A . n 
A 1 89  PRO 89  81 81 PRO PRO A . n 
A 1 90  VAL 90  82 82 VAL VAL A . n 
A 1 91  SER 91  83 83 SER SER A . n 
A 1 92  ASP 92  84 84 ASP ASP A . n 
A 1 93  VAL 93  85 85 VAL VAL A . n 
A 1 94  THR 94  86 86 THR THR A . n 
A 1 95  ILE 95  87 87 ILE ILE A . n 
A 1 96  GLU 96  88 88 GLU GLU A . n 
A 1 97  THR 97  89 89 THR THR A . n 
A 1 98  HIS 98  90 90 HIS HIS A . n 
A 1 99  LYS 99  91 91 LYS LYS A . n 
A 1 100 GLU 100 92 92 GLU GLU A . n 
A 1 101 GLU 101 93 93 GLU GLU A . n 
A 1 102 GLU 102 94 94 GLU GLU A . n 
A 1 103 LEU 103 95 95 LEU LEU A . n 
A 1 104 THR 104 96 ?  ?   ?   A . n 
A 1 105 ALA 105 97 ?  ?   ?   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 FES 1   101 1602 FES FES A . 
C 3 HOH 1   201 77   HOH HOH A . 
C 3 HOH 2   202 124  HOH HOH A . 
C 3 HOH 3   203 75   HOH HOH A . 
C 3 HOH 4   204 141  HOH HOH A . 
C 3 HOH 5   205 126  HOH HOH A . 
C 3 HOH 6   206 97   HOH HOH A . 
C 3 HOH 7   207 162  HOH HOH A . 
C 3 HOH 8   208 53   HOH HOH A . 
C 3 HOH 9   209 50   HOH HOH A . 
C 3 HOH 10  210 43   HOH HOH A . 
C 3 HOH 11  211 79   HOH HOH A . 
C 3 HOH 12  212 56   HOH HOH A . 
C 3 HOH 13  213 116  HOH HOH A . 
C 3 HOH 14  214 98   HOH HOH A . 
C 3 HOH 15  215 128  HOH HOH A . 
C 3 HOH 16  216 23   HOH HOH A . 
C 3 HOH 17  217 66   HOH HOH A . 
C 3 HOH 18  218 11   HOH HOH A . 
C 3 HOH 19  219 15   HOH HOH A . 
C 3 HOH 20  220 17   HOH HOH A . 
C 3 HOH 21  221 52   HOH HOH A . 
C 3 HOH 22  222 34   HOH HOH A . 
C 3 HOH 23  223 27   HOH HOH A . 
C 3 HOH 24  224 20   HOH HOH A . 
C 3 HOH 25  225 36   HOH HOH A . 
C 3 HOH 26  226 67   HOH HOH A . 
C 3 HOH 27  227 60   HOH HOH A . 
C 3 HOH 28  228 142  HOH HOH A . 
C 3 HOH 29  229 127  HOH HOH A . 
C 3 HOH 30  230 123  HOH HOH A . 
C 3 HOH 31  231 35   HOH HOH A . 
C 3 HOH 32  232 132  HOH HOH A . 
C 3 HOH 33  233 96   HOH HOH A . 
C 3 HOH 34  234 51   HOH HOH A . 
C 3 HOH 35  235 8    HOH HOH A . 
C 3 HOH 36  236 168  HOH HOH A . 
C 3 HOH 37  237 103  HOH HOH A . 
C 3 HOH 38  238 4    HOH HOH A . 
C 3 HOH 39  239 154  HOH HOH A . 
C 3 HOH 40  240 129  HOH HOH A . 
C 3 HOH 41  241 131  HOH HOH A . 
C 3 HOH 42  242 5    HOH HOH A . 
C 3 HOH 43  243 37   HOH HOH A . 
C 3 HOH 44  244 76   HOH HOH A . 
C 3 HOH 45  245 159  HOH HOH A . 
C 3 HOH 46  246 7    HOH HOH A . 
C 3 HOH 47  247 13   HOH HOH A . 
C 3 HOH 48  248 10   HOH HOH A . 
C 3 HOH 49  249 111  HOH HOH A . 
C 3 HOH 50  250 90   HOH HOH A . 
C 3 HOH 51  251 70   HOH HOH A . 
C 3 HOH 52  252 16   HOH HOH A . 
C 3 HOH 53  253 133  HOH HOH A . 
C 3 HOH 54  254 25   HOH HOH A . 
C 3 HOH 55  255 172  HOH HOH A . 
C 3 HOH 56  256 26   HOH HOH A . 
C 3 HOH 57  257 28   HOH HOH A . 
C 3 HOH 58  258 29   HOH HOH A . 
C 3 HOH 59  259 44   HOH HOH A . 
C 3 HOH 60  260 134  HOH HOH A . 
C 3 HOH 61  261 125  HOH HOH A . 
C 3 HOH 62  262 2    HOH HOH A . 
C 3 HOH 63  263 14   HOH HOH A . 
C 3 HOH 64  264 32   HOH HOH A . 
C 3 HOH 65  265 31   HOH HOH A . 
C 3 HOH 66  266 74   HOH HOH A . 
C 3 HOH 67  267 87   HOH HOH A . 
C 3 HOH 68  268 19   HOH HOH A . 
C 3 HOH 69  269 73   HOH HOH A . 
C 3 HOH 70  270 119  HOH HOH A . 
C 3 HOH 71  271 55   HOH HOH A . 
C 3 HOH 72  272 136  HOH HOH A . 
C 3 HOH 73  273 130  HOH HOH A . 
C 3 HOH 74  274 6    HOH HOH A . 
C 3 HOH 75  275 72   HOH HOH A . 
C 3 HOH 76  276 118  HOH HOH A . 
C 3 HOH 77  277 135  HOH HOH A . 
C 3 HOH 78  278 30   HOH HOH A . 
C 3 HOH 79  279 68   HOH HOH A . 
C 3 HOH 80  280 46   HOH HOH A . 
C 3 HOH 81  281 59   HOH HOH A . 
C 3 HOH 82  282 122  HOH HOH A . 
C 3 HOH 83  283 9    HOH HOH A . 
C 3 HOH 84  284 12   HOH HOH A . 
C 3 HOH 85  285 137  HOH HOH A . 
C 3 HOH 86  286 89   HOH HOH A . 
C 3 HOH 87  287 24   HOH HOH A . 
C 3 HOH 88  288 120  HOH HOH A . 
C 3 HOH 89  289 160  HOH HOH A . 
C 3 HOH 90  290 153  HOH HOH A . 
C 3 HOH 91  291 62   HOH HOH A . 
C 3 HOH 92  292 146  HOH HOH A . 
C 3 HOH 93  293 42   HOH HOH A . 
C 3 HOH 94  294 91   HOH HOH A . 
C 3 HOH 95  295 3    HOH HOH A . 
C 3 HOH 96  296 33   HOH HOH A . 
C 3 HOH 97  297 143  HOH HOH A . 
C 3 HOH 98  298 71   HOH HOH A . 
C 3 HOH 99  299 107  HOH HOH A . 
C 3 HOH 100 300 117  HOH HOH A . 
C 3 HOH 101 301 82   HOH HOH A . 
C 3 HOH 102 302 85   HOH HOH A . 
C 3 HOH 103 303 140  HOH HOH A . 
C 3 HOH 104 304 114  HOH HOH A . 
C 3 HOH 105 305 165  HOH HOH A . 
C 3 HOH 106 306 156  HOH HOH A . 
C 3 HOH 107 307 145  HOH HOH A . 
C 3 HOH 108 308 163  HOH HOH A . 
C 3 HOH 109 309 104  HOH HOH A . 
C 3 HOH 110 310 138  HOH HOH A . 
C 3 HOH 111 311 152  HOH HOH A . 
C 3 HOH 112 312 65   HOH HOH A . 
C 3 HOH 113 313 174  HOH HOH A . 
C 3 HOH 114 314 170  HOH HOH A . 
C 3 HOH 115 315 161  HOH HOH A . 
C 3 HOH 116 316 108  HOH HOH A . 
C 3 HOH 117 317 158  HOH HOH A . 
C 3 HOH 118 318 157  HOH HOH A . 
C 3 HOH 119 319 167  HOH HOH A . 
C 3 HOH 120 320 40   HOH HOH A . 
C 3 HOH 121 321 22   HOH HOH A . 
C 3 HOH 122 322 21   HOH HOH A . 
C 3 HOH 123 323 69   HOH HOH A . 
C 3 HOH 124 324 150  HOH HOH A . 
C 3 HOH 125 325 38   HOH HOH A . 
C 3 HOH 126 326 45   HOH HOH A . 
C 3 HOH 127 327 155  HOH HOH A . 
C 3 HOH 128 328 139  HOH HOH A . 
C 3 HOH 129 329 169  HOH HOH A . 
C 3 HOH 130 330 105  HOH HOH A . 
C 3 HOH 131 331 106  HOH HOH A . 
C 3 HOH 132 332 41   HOH HOH A . 
C 3 HOH 133 333 78   HOH HOH A . 
C 3 HOH 134 334 164  HOH HOH A . 
C 3 HOH 135 335 151  HOH HOH A . 
C 3 HOH 136 336 86   HOH HOH A . 
C 3 HOH 137 337 61   HOH HOH A . 
C 3 HOH 138 338 148  HOH HOH A . 
C 3 HOH 139 339 147  HOH HOH A . 
C 3 HOH 140 340 166  HOH HOH A . 
C 3 HOH 141 341 39   HOH HOH A . 
C 3 HOH 142 342 144  HOH HOH A . 
C 3 HOH 143 343 57   HOH HOH A . 
C 3 HOH 144 344 171  HOH HOH A . 
C 3 HOH 145 345 58   HOH HOH A . 
C 3 HOH 146 346 47   HOH HOH A . 
C 3 HOH 147 347 149  HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.20.1_4487 1 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.20.1_4487 2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? DIALS   ? ? ? .           3 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .           4 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .           5 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GYD 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     30.301 
_cell.length_a_esd                 ? 
_cell.length_b                     51.410 
_cell.length_b_esd                 ? 
_cell.length_c                     61.333 
_cell.length_c_esd                 ? 
_cell.volume                       95542.978 
_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                         9GYD 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            'P 2ac 2ab' 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_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                   9GYD 
_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             2.17 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          43 
_exptl_crystal.description                  'Bright red, rhombahedra' 
_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' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_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    
;100 mM Na, K phosphate,
2.6-3.6 M Ammonium phosphate
;
_exptl_crystal_grow.pdbx_pH_range   7-8 
_exptl_crystal_grow.temp            277 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER2 X 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2019-12-15 
_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                    ? 
_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   0.7749 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'DIAMOND BEAMLINE I03' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.7749 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I03 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          11.70 
_reflns.entry_id                                       9GYD 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              0.92 
_reflns.d_resolution_low                               39.4 
_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                                     128152 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                12.4 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          18.2 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                0.014 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.049 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    0.92 
_reflns_shell.d_res_low                                     0.94 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.8 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             3289 
_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                               10.1 
_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                               0.37 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.8 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.19 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               18.86 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9GYD 
_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                            0.92 
_refine.ls_d_res_low                             39.40 
_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                     128152 
_refine.ls_number_reflns_R_free                  6333 
_refine.ls_number_reflns_R_work                  121819 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.76 
_refine.ls_percent_reflns_R_free                 4.94 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1272 
_refine.ls_R_factor_R_free                       0.1384 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1267 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.35 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_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                 14.8833 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.0940 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       0.92 
_refine_hist.d_res_low                        39.40 
_refine_hist.number_atoms_solvent             147 
_refine_hist.number_atoms_total               908 
_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        757 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         4 
_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' ? 0.0129 ? 814  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.2909 ? 1119 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.1138 ? 127  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0109 ? 151  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 6.5415 ? 122  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 0.92 0.93  . . 187 4037 99.44  . . . . 0.3557 . . . . . . . . . . . 0.3700 
'X-RAY DIFFRACTION' 0.93 0.94  . . 203 4101 99.79  . . . . 0.3386 . . . . . . . . . . . 0.3376 
'X-RAY DIFFRACTION' 0.94 0.95  . . 205 4059 99.95  . . . . 0.2946 . . . . . . . . . . . 0.2968 
'X-RAY DIFFRACTION' 0.95 0.96  . . 198 4079 99.95  . . . . 0.2664 . . . . . . . . . . . 0.2854 
'X-RAY DIFFRACTION' 0.96 0.98  . . 200 4063 99.56  . . . . 0.2470 . . . . . . . . . . . 0.2712 
'X-RAY DIFFRACTION' 0.98 0.99  . . 235 4017 99.81  . . . . 0.2201 . . . . . . . . . . . 0.2176 
'X-RAY DIFFRACTION' 0.99 1.01  . . 211 4114 99.91  . . . . 0.2056 . . . . . . . . . . . 0.2342 
'X-RAY DIFFRACTION' 1.01 1.02  . . 220 3999 99.98  . . . . 0.1982 . . . . . . . . . . . 0.2300 
'X-RAY DIFFRACTION' 1.02 1.04  . . 219 4074 100.00 . . . . 0.1662 . . . . . . . . . . . 0.2020 
'X-RAY DIFFRACTION' 1.04 1.05  . . 222 4107 100.00 . . . . 0.1589 . . . . . . . . . . . 0.1521 
'X-RAY DIFFRACTION' 1.05 1.07  . . 190 4071 99.98  . . . . 0.1364 . . . . . . . . . . . 0.1613 
'X-RAY DIFFRACTION' 1.07 1.09  . . 228 4089 99.91  . . . . 0.1264 . . . . . . . . . . . 0.1480 
'X-RAY DIFFRACTION' 1.09 1.11  . . 228 4009 99.76  . . . . 0.1160 . . . . . . . . . . . 0.1216 
'X-RAY DIFFRACTION' 1.11 1.13  . . 242 4020 99.93  . . . . 0.1155 . . . . . . . . . . . 0.1304 
'X-RAY DIFFRACTION' 1.13 1.16  . . 211 4098 99.84  . . . . 0.1089 . . . . . . . . . . . 0.1078 
'X-RAY DIFFRACTION' 1.16 1.19  . . 214 4037 99.79  . . . . 0.1040 . . . . . . . . . . . 0.1178 
'X-RAY DIFFRACTION' 1.19 1.22  . . 199 4092 99.95  . . . . 0.1045 . . . . . . . . . . . 0.1186 
'X-RAY DIFFRACTION' 1.22 1.25  . . 199 4068 99.93  . . . . 0.1027 . . . . . . . . . . . 0.1181 
'X-RAY DIFFRACTION' 1.25 1.29  . . 213 4043 99.77  . . . . 0.1003 . . . . . . . . . . . 0.1234 
'X-RAY DIFFRACTION' 1.29 1.33  . . 224 4066 99.79  . . . . 0.0980 . . . . . . . . . . . 0.1208 
'X-RAY DIFFRACTION' 1.33 1.37  . . 222 4075 99.88  . . . . 0.0986 . . . . . . . . . . . 0.1054 
'X-RAY DIFFRACTION' 1.37 1.43  . . 210 4076 99.84  . . . . 0.0977 . . . . . . . . . . . 0.1166 
'X-RAY DIFFRACTION' 1.43 1.49  . . 206 4071 99.95  . . . . 0.0958 . . . . . . . . . . . 0.1051 
'X-RAY DIFFRACTION' 1.49 1.57  . . 226 4043 99.95  . . . . 0.0907 . . . . . . . . . . . 0.0989 
'X-RAY DIFFRACTION' 1.57 1.67  . . 177 4094 99.98  . . . . 0.0895 . . . . . . . . . . . 0.1113 
'X-RAY DIFFRACTION' 1.67 1.80  . . 221 4074 100.00 . . . . 0.1028 . . . . . . . . . . . 0.1206 
'X-RAY DIFFRACTION' 1.80 1.98  . . 189 4095 100.00 . . . . 0.1105 . . . . . . . . . . . 0.1235 
'X-RAY DIFFRACTION' 1.98 2.27  . . 223 4056 100.00 . . . . 0.1182 . . . . . . . . . . . 0.1271 
'X-RAY DIFFRACTION' 2.27 2.86  . . 236 4053 100.00 . . . . 0.1391 . . . . . . . . . . . 0.1493 
'X-RAY DIFFRACTION' 2.86 39.40 . . 175 3939 96.21  . . . . 0.1470 . . . . . . . . . . . 0.1557 
# 
_struct.entry_id                     9GYD 
_struct.title                        'Ferredoxin Wild-type -As-isolated state' 
_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        9GYD 
_struct_keywords.text            'Metalloprotein Iron-sulfur cluster Electron transfer, OXIDOREDUCTASE' 
_struct_keywords.pdbx_keywords   OXIDOREDUCTASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    FER1_SPIOL 
_struct_ref.pdbx_db_accession          P00221 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AAYKVTLVTPTGNVEFQCPDDVYILDAAEEEGIDLPYSCRAGSCSSCAGKLKTGSLNQDDQSFLDDDQIDEGWVLTCAAY
PVSDVTIETHKEEELTA
;
_struct_ref.pdbx_align_begin           51 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9GYD 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 9 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 105 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00221 
_struct_ref_seq.db_align_beg                  51 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  147 
_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       97 
# 
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 9GYD GLY A 1 ? UNP P00221 ? ? 'expression tag' -7 1 
1 9GYD PRO A 2 ? UNP P00221 ? ? 'expression tag' -6 2 
1 9GYD LEU A 3 ? UNP P00221 ? ? 'expression tag' -5 3 
1 9GYD GLY A 4 ? UNP P00221 ? ? 'expression tag' -4 4 
1 9GYD SER A 5 ? UNP P00221 ? ? 'expression tag' -3 5 
1 9GYD PRO A 6 ? UNP P00221 ? ? 'expression tag' -2 6 
1 9GYD GLU A 7 ? UNP P00221 ? ? 'expression tag' -1 7 
1 9GYD PHE A 8 ? UNP P00221 ? ? 'expression tag' 0  8 
# 
_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 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 240  ? 
1 MORE         -16  ? 
1 'SSA (A^2)'  5530 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 TYR A 31 ? GLU A 39  ? TYR A 23 GLU A 31 1 ? 9 
HELX_P HELX_P2 AA2 ASP A 73 ? GLU A 79  ? ASP A 65 GLU A 71 1 ? 7 
HELX_P HELX_P3 AA3 CYS A 85 ? ALA A 87  ? CYS A 77 ALA A 79 5 ? 3 
HELX_P HELX_P4 AA4 LYS A 99 ? LEU A 103 ? LYS A 91 LEU A 95 5 ? 5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1 metalc ? ? A CYS 47 SG ? ? ? 1_555 B FES . FE1 ? ? A CYS 39 A FES 101 1_555 ? ? ? ? ? ? ? 2.328 ? ? 
metalc2 metalc ? ? A CYS 52 SG ? ? ? 1_555 B FES . FE1 ? ? A CYS 44 A FES 101 1_555 ? ? ? ? ? ? ? 2.297 ? ? 
metalc3 metalc ? ? A CYS 55 SG ? ? ? 1_555 B FES . FE2 ? ? A CYS 47 A FES 101 1_555 ? ? ? ? ? ? ? 2.302 ? ? 
metalc4 metalc ? ? A CYS 85 SG ? ? ? 1_555 B FES . FE2 ? ? A CYS 77 A FES 101 1_555 ? ? ? ? ? ? ? 2.297 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  SG ? A CYS 47 ? A CYS 39  ? 1_555 FE1 ? B FES . ? A FES 101 ? 1_555 S1 ? B FES .  ? A FES 101 ? 1_555 120.0 ? 
2  SG ? A CYS 47 ? A CYS 39  ? 1_555 FE1 ? B FES . ? A FES 101 ? 1_555 S2 ? B FES .  ? A FES 101 ? 1_555 99.2  ? 
3  S1 ? B FES .  ? A FES 101 ? 1_555 FE1 ? B FES . ? A FES 101 ? 1_555 S2 ? B FES .  ? A FES 101 ? 1_555 101.9 ? 
4  SG ? A CYS 47 ? A CYS 39  ? 1_555 FE1 ? B FES . ? A FES 101 ? 1_555 SG ? A CYS 52 ? A CYS 44  ? 1_555 104.9 ? 
5  S1 ? B FES .  ? A FES 101 ? 1_555 FE1 ? B FES . ? A FES 101 ? 1_555 SG ? A CYS 52 ? A CYS 44  ? 1_555 111.2 ? 
6  S2 ? B FES .  ? A FES 101 ? 1_555 FE1 ? B FES . ? A FES 101 ? 1_555 SG ? A CYS 52 ? A CYS 44  ? 1_555 120.1 ? 
7  SG ? A CYS 55 ? A CYS 47  ? 1_555 FE2 ? B FES . ? A FES 101 ? 1_555 S1 ? B FES .  ? A FES 101 ? 1_555 113.0 ? 
8  SG ? A CYS 55 ? A CYS 47  ? 1_555 FE2 ? B FES . ? A FES 101 ? 1_555 S2 ? B FES .  ? A FES 101 ? 1_555 109.4 ? 
9  S1 ? B FES .  ? A FES 101 ? 1_555 FE2 ? B FES . ? A FES 101 ? 1_555 S2 ? B FES .  ? A FES 101 ? 1_555 105.0 ? 
10 SG ? A CYS 55 ? A CYS 47  ? 1_555 FE2 ? B FES . ? A FES 101 ? 1_555 SG ? A CYS 85 ? A CYS 77  ? 1_555 108.3 ? 
11 S1 ? B FES .  ? A FES 101 ? 1_555 FE2 ? B FES . ? A FES 101 ? 1_555 SG ? A CYS 85 ? A CYS 77  ? 1_555 118.4 ? 
12 S2 ? B FES .  ? A FES 101 ? 1_555 FE2 ? B FES . ? A FES 101 ? 1_555 SG ? A CYS 85 ? A CYS 77  ? 1_555 101.9 ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 5 ? 
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 
AA1 2 3 ? parallel      
AA1 3 4 ? anti-parallel 
AA1 4 5 ? 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 GLY A 20 ? PRO A 27 ? GLY A 12 PRO A 19 
AA1 2 ALA A 10 ? THR A 17 ? ALA A 2  THR A 9  
AA1 3 VAL A 93 ? GLU A 96 ? VAL A 85 GLU A 88 
AA1 4 ALA A 56 ? THR A 61 ? ALA A 48 THR A 53 
AA1 5 TRP A 81 ? LEU A 83 ? TRP A 73 LEU A 75 
AA2 1 LEU A 64 ? ASN A 65 ? LEU A 56 ASN A 57 
AA2 2 TYR A 88 ? PRO A 89 ? TYR A 80 PRO A 81 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O PHE A 24 ? O PHE A 16 N VAL A 13 ? N VAL A 5  
AA1 2 3 N THR A 14 ? N THR A 6  O VAL A 93 ? O VAL A 85 
AA1 3 4 O THR A 94 ? O THR A 86 N LYS A 60 ? N LYS A 52 
AA1 4 5 N GLY A 57 ? N GLY A 49 O VAL A 82 ? O VAL A 74 
AA2 1 2 N ASN A 65 ? N ASN A 57 O TYR A 88 ? O TYR A 80 
# 
_pdbx_entry_details.entry_id                   9GYD 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O A HOH 238 ? ? O A HOH 292 ? ? 2.05 
2 1 O A HOH 259 ? ? O A HOH 340 ? ? 2.19 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 SER A 38 ? ? -148.33 -69.60 
2 1 SER A 38 ? ? -144.38 -76.90 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z           
2 x+1/2,-y+1/2,-z 
3 -x,y+1/2,-z+1/2 
4 -x+1/2,-y,z+1/2 
# 
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 -7 ? A GLY 1   
2 1 Y 1 A PRO -6 ? A PRO 2   
3 1 Y 1 A LEU -5 ? A LEU 3   
4 1 Y 1 A THR 96 ? A THR 104 
5 1 Y 1 A ALA 97 ? A ALA 105 
# 
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  
FES FE1  FE N N 88  
FES FE2  FE N N 89  
FES S1   S  N N 90  
FES S2   S  N N 91  
GLN N    N  N N 92  
GLN CA   C  N S 93  
GLN C    C  N N 94  
GLN O    O  N N 95  
GLN CB   C  N N 96  
GLN CG   C  N N 97  
GLN CD   C  N N 98  
GLN OE1  O  N N 99  
GLN NE2  N  N N 100 
GLN OXT  O  N N 101 
GLN H    H  N N 102 
GLN H2   H  N N 103 
GLN HA   H  N N 104 
GLN HB2  H  N N 105 
GLN HB3  H  N N 106 
GLN HG2  H  N N 107 
GLN HG3  H  N N 108 
GLN HE21 H  N N 109 
GLN HE22 H  N N 110 
GLN HXT  H  N N 111 
GLU N    N  N N 112 
GLU CA   C  N S 113 
GLU C    C  N N 114 
GLU O    O  N N 115 
GLU CB   C  N N 116 
GLU CG   C  N N 117 
GLU CD   C  N N 118 
GLU OE1  O  N N 119 
GLU OE2  O  N N 120 
GLU OXT  O  N N 121 
GLU H    H  N N 122 
GLU H2   H  N N 123 
GLU HA   H  N N 124 
GLU HB2  H  N N 125 
GLU HB3  H  N N 126 
GLU HG2  H  N N 127 
GLU HG3  H  N N 128 
GLU HE2  H  N N 129 
GLU HXT  H  N N 130 
GLY N    N  N N 131 
GLY CA   C  N N 132 
GLY C    C  N N 133 
GLY O    O  N N 134 
GLY OXT  O  N N 135 
GLY H    H  N N 136 
GLY H2   H  N N 137 
GLY HA2  H  N N 138 
GLY HA3  H  N N 139 
GLY HXT  H  N N 140 
HIS N    N  N N 141 
HIS CA   C  N S 142 
HIS C    C  N N 143 
HIS O    O  N N 144 
HIS CB   C  N N 145 
HIS CG   C  Y N 146 
HIS ND1  N  Y N 147 
HIS CD2  C  Y N 148 
HIS CE1  C  Y N 149 
HIS NE2  N  Y N 150 
HIS OXT  O  N N 151 
HIS H    H  N N 152 
HIS H2   H  N N 153 
HIS HA   H  N N 154 
HIS HB2  H  N N 155 
HIS HB3  H  N N 156 
HIS HD1  H  N N 157 
HIS HD2  H  N N 158 
HIS HE1  H  N N 159 
HIS HE2  H  N N 160 
HIS HXT  H  N N 161 
HOH O    O  N N 162 
HOH H1   H  N N 163 
HOH H2   H  N N 164 
ILE N    N  N N 165 
ILE CA   C  N S 166 
ILE C    C  N N 167 
ILE O    O  N N 168 
ILE CB   C  N S 169 
ILE CG1  C  N N 170 
ILE CG2  C  N N 171 
ILE CD1  C  N N 172 
ILE OXT  O  N N 173 
ILE H    H  N N 174 
ILE H2   H  N N 175 
ILE HA   H  N N 176 
ILE HB   H  N N 177 
ILE HG12 H  N N 178 
ILE HG13 H  N N 179 
ILE HG21 H  N N 180 
ILE HG22 H  N N 181 
ILE HG23 H  N N 182 
ILE HD11 H  N N 183 
ILE HD12 H  N N 184 
ILE HD13 H  N N 185 
ILE HXT  H  N N 186 
LEU N    N  N N 187 
LEU CA   C  N S 188 
LEU C    C  N N 189 
LEU O    O  N N 190 
LEU CB   C  N N 191 
LEU CG   C  N N 192 
LEU CD1  C  N N 193 
LEU CD2  C  N N 194 
LEU OXT  O  N N 195 
LEU H    H  N N 196 
LEU H2   H  N N 197 
LEU HA   H  N N 198 
LEU HB2  H  N N 199 
LEU HB3  H  N N 200 
LEU HG   H  N N 201 
LEU HD11 H  N N 202 
LEU HD12 H  N N 203 
LEU HD13 H  N N 204 
LEU HD21 H  N N 205 
LEU HD22 H  N N 206 
LEU HD23 H  N N 207 
LEU HXT  H  N N 208 
LYS N    N  N N 209 
LYS CA   C  N S 210 
LYS C    C  N N 211 
LYS O    O  N N 212 
LYS CB   C  N N 213 
LYS CG   C  N N 214 
LYS CD   C  N N 215 
LYS CE   C  N N 216 
LYS NZ   N  N N 217 
LYS OXT  O  N N 218 
LYS H    H  N N 219 
LYS H2   H  N N 220 
LYS HA   H  N N 221 
LYS HB2  H  N N 222 
LYS HB3  H  N N 223 
LYS HG2  H  N N 224 
LYS HG3  H  N N 225 
LYS HD2  H  N N 226 
LYS HD3  H  N N 227 
LYS HE2  H  N N 228 
LYS HE3  H  N N 229 
LYS HZ1  H  N N 230 
LYS HZ2  H  N N 231 
LYS HZ3  H  N N 232 
LYS HXT  H  N N 233 
PHE N    N  N N 234 
PHE CA   C  N S 235 
PHE C    C  N N 236 
PHE O    O  N N 237 
PHE CB   C  N N 238 
PHE CG   C  Y N 239 
PHE CD1  C  Y N 240 
PHE CD2  C  Y N 241 
PHE CE1  C  Y N 242 
PHE CE2  C  Y N 243 
PHE CZ   C  Y N 244 
PHE OXT  O  N N 245 
PHE H    H  N N 246 
PHE H2   H  N N 247 
PHE HA   H  N N 248 
PHE HB2  H  N N 249 
PHE HB3  H  N N 250 
PHE HD1  H  N N 251 
PHE HD2  H  N N 252 
PHE HE1  H  N N 253 
PHE HE2  H  N N 254 
PHE HZ   H  N N 255 
PHE HXT  H  N N 256 
PRO N    N  N N 257 
PRO CA   C  N S 258 
PRO C    C  N N 259 
PRO O    O  N N 260 
PRO CB   C  N N 261 
PRO CG   C  N N 262 
PRO CD   C  N N 263 
PRO OXT  O  N N 264 
PRO H    H  N N 265 
PRO HA   H  N N 266 
PRO HB2  H  N N 267 
PRO HB3  H  N N 268 
PRO HG2  H  N N 269 
PRO HG3  H  N N 270 
PRO HD2  H  N N 271 
PRO HD3  H  N N 272 
PRO HXT  H  N N 273 
SER N    N  N N 274 
SER CA   C  N S 275 
SER C    C  N N 276 
SER O    O  N N 277 
SER CB   C  N N 278 
SER OG   O  N N 279 
SER OXT  O  N N 280 
SER H    H  N N 281 
SER H2   H  N N 282 
SER HA   H  N N 283 
SER HB2  H  N N 284 
SER HB3  H  N N 285 
SER HG   H  N N 286 
SER HXT  H  N N 287 
THR N    N  N N 288 
THR CA   C  N S 289 
THR C    C  N N 290 
THR O    O  N N 291 
THR CB   C  N R 292 
THR OG1  O  N N 293 
THR CG2  C  N N 294 
THR OXT  O  N N 295 
THR H    H  N N 296 
THR H2   H  N N 297 
THR HA   H  N N 298 
THR HB   H  N N 299 
THR HG1  H  N N 300 
THR HG21 H  N N 301 
THR HG22 H  N N 302 
THR HG23 H  N N 303 
THR HXT  H  N N 304 
TRP N    N  N N 305 
TRP CA   C  N S 306 
TRP C    C  N N 307 
TRP O    O  N N 308 
TRP CB   C  N N 309 
TRP CG   C  Y N 310 
TRP CD1  C  Y N 311 
TRP CD2  C  Y N 312 
TRP NE1  N  Y N 313 
TRP CE2  C  Y N 314 
TRP CE3  C  Y N 315 
TRP CZ2  C  Y N 316 
TRP CZ3  C  Y N 317 
TRP CH2  C  Y N 318 
TRP OXT  O  N N 319 
TRP H    H  N N 320 
TRP H2   H  N N 321 
TRP HA   H  N N 322 
TRP HB2  H  N N 323 
TRP HB3  H  N N 324 
TRP HD1  H  N N 325 
TRP HE1  H  N N 326 
TRP HE3  H  N N 327 
TRP HZ2  H  N N 328 
TRP HZ3  H  N N 329 
TRP HH2  H  N N 330 
TRP HXT  H  N N 331 
TYR N    N  N N 332 
TYR CA   C  N S 333 
TYR C    C  N N 334 
TYR O    O  N N 335 
TYR CB   C  N N 336 
TYR CG   C  Y N 337 
TYR CD1  C  Y N 338 
TYR CD2  C  Y N 339 
TYR CE1  C  Y N 340 
TYR CE2  C  Y N 341 
TYR CZ   C  Y N 342 
TYR OH   O  N N 343 
TYR OXT  O  N N 344 
TYR H    H  N N 345 
TYR H2   H  N N 346 
TYR HA   H  N N 347 
TYR HB2  H  N N 348 
TYR HB3  H  N N 349 
TYR HD1  H  N N 350 
TYR HD2  H  N N 351 
TYR HE1  H  N N 352 
TYR HE2  H  N N 353 
TYR HH   H  N N 354 
TYR HXT  H  N N 355 
VAL N    N  N N 356 
VAL CA   C  N S 357 
VAL C    C  N N 358 
VAL O    O  N N 359 
VAL CB   C  N N 360 
VAL CG1  C  N N 361 
VAL CG2  C  N N 362 
VAL OXT  O  N N 363 
VAL H    H  N N 364 
VAL H2   H  N N 365 
VAL HA   H  N N 366 
VAL HB   H  N N 367 
VAL HG11 H  N N 368 
VAL HG12 H  N N 369 
VAL HG13 H  N N 370 
VAL HG21 H  N N 371 
VAL HG22 H  N N 372 
VAL HG23 H  N N 373 
VAL HXT  H  N N 374 
# 
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  
FES FE1 S1   sing N N 83  
FES FE1 S2   sing N N 84  
FES FE2 S1   sing N N 85  
FES FE2 S2   sing N N 86  
GLN N   CA   sing N N 87  
GLN N   H    sing N N 88  
GLN N   H2   sing N N 89  
GLN CA  C    sing N N 90  
GLN CA  CB   sing N N 91  
GLN CA  HA   sing N N 92  
GLN C   O    doub N N 93  
GLN C   OXT  sing N N 94  
GLN CB  CG   sing N N 95  
GLN CB  HB2  sing N N 96  
GLN CB  HB3  sing N N 97  
GLN CG  CD   sing N N 98  
GLN CG  HG2  sing N N 99  
GLN CG  HG3  sing N N 100 
GLN CD  OE1  doub N N 101 
GLN CD  NE2  sing N N 102 
GLN NE2 HE21 sing N N 103 
GLN NE2 HE22 sing N N 104 
GLN OXT HXT  sing N N 105 
GLU N   CA   sing N N 106 
GLU N   H    sing N N 107 
GLU N   H2   sing N N 108 
GLU CA  C    sing N N 109 
GLU CA  CB   sing N N 110 
GLU CA  HA   sing N N 111 
GLU C   O    doub N N 112 
GLU C   OXT  sing N N 113 
GLU CB  CG   sing N N 114 
GLU CB  HB2  sing N N 115 
GLU CB  HB3  sing N N 116 
GLU CG  CD   sing N N 117 
GLU CG  HG2  sing N N 118 
GLU CG  HG3  sing N N 119 
GLU CD  OE1  doub N N 120 
GLU CD  OE2  sing N N 121 
GLU OE2 HE2  sing N N 122 
GLU OXT HXT  sing N N 123 
GLY N   CA   sing N N 124 
GLY N   H    sing N N 125 
GLY N   H2   sing N N 126 
GLY CA  C    sing N N 127 
GLY CA  HA2  sing N N 128 
GLY CA  HA3  sing N N 129 
GLY C   O    doub N N 130 
GLY C   OXT  sing N N 131 
GLY OXT HXT  sing N N 132 
HIS N   CA   sing N N 133 
HIS N   H    sing N N 134 
HIS N   H2   sing N N 135 
HIS CA  C    sing N N 136 
HIS CA  CB   sing N N 137 
HIS CA  HA   sing N N 138 
HIS C   O    doub N N 139 
HIS C   OXT  sing N N 140 
HIS CB  CG   sing N N 141 
HIS CB  HB2  sing N N 142 
HIS CB  HB3  sing N N 143 
HIS CG  ND1  sing Y N 144 
HIS CG  CD2  doub Y N 145 
HIS ND1 CE1  doub Y N 146 
HIS ND1 HD1  sing N N 147 
HIS CD2 NE2  sing Y N 148 
HIS CD2 HD2  sing N N 149 
HIS CE1 NE2  sing Y N 150 
HIS CE1 HE1  sing N N 151 
HIS NE2 HE2  sing N N 152 
HIS OXT HXT  sing N N 153 
HOH O   H1   sing N N 154 
HOH O   H2   sing N N 155 
ILE N   CA   sing N N 156 
ILE N   H    sing N N 157 
ILE N   H2   sing N N 158 
ILE CA  C    sing N N 159 
ILE CA  CB   sing N N 160 
ILE CA  HA   sing N N 161 
ILE C   O    doub N N 162 
ILE C   OXT  sing N N 163 
ILE CB  CG1  sing N N 164 
ILE CB  CG2  sing N N 165 
ILE CB  HB   sing N N 166 
ILE CG1 CD1  sing N N 167 
ILE CG1 HG12 sing N N 168 
ILE CG1 HG13 sing N N 169 
ILE CG2 HG21 sing N N 170 
ILE CG2 HG22 sing N N 171 
ILE CG2 HG23 sing N N 172 
ILE CD1 HD11 sing N N 173 
ILE CD1 HD12 sing N N 174 
ILE CD1 HD13 sing N N 175 
ILE OXT HXT  sing N N 176 
LEU N   CA   sing N N 177 
LEU N   H    sing N N 178 
LEU N   H2   sing N N 179 
LEU CA  C    sing N N 180 
LEU CA  CB   sing N N 181 
LEU CA  HA   sing N N 182 
LEU C   O    doub N N 183 
LEU C   OXT  sing N N 184 
LEU CB  CG   sing N N 185 
LEU CB  HB2  sing N N 186 
LEU CB  HB3  sing N N 187 
LEU CG  CD1  sing N N 188 
LEU CG  CD2  sing N N 189 
LEU CG  HG   sing N N 190 
LEU CD1 HD11 sing N N 191 
LEU CD1 HD12 sing N N 192 
LEU CD1 HD13 sing N N 193 
LEU CD2 HD21 sing N N 194 
LEU CD2 HD22 sing N N 195 
LEU CD2 HD23 sing N N 196 
LEU OXT HXT  sing N N 197 
LYS N   CA   sing N N 198 
LYS N   H    sing N N 199 
LYS N   H2   sing N N 200 
LYS CA  C    sing N N 201 
LYS CA  CB   sing N N 202 
LYS CA  HA   sing N N 203 
LYS C   O    doub N N 204 
LYS C   OXT  sing N N 205 
LYS CB  CG   sing N N 206 
LYS CB  HB2  sing N N 207 
LYS CB  HB3  sing N N 208 
LYS CG  CD   sing N N 209 
LYS CG  HG2  sing N N 210 
LYS CG  HG3  sing N N 211 
LYS CD  CE   sing N N 212 
LYS CD  HD2  sing N N 213 
LYS CD  HD3  sing N N 214 
LYS CE  NZ   sing N N 215 
LYS CE  HE2  sing N N 216 
LYS CE  HE3  sing N N 217 
LYS NZ  HZ1  sing N N 218 
LYS NZ  HZ2  sing N N 219 
LYS NZ  HZ3  sing N N 220 
LYS OXT HXT  sing N N 221 
PHE N   CA   sing N N 222 
PHE N   H    sing N N 223 
PHE N   H2   sing N N 224 
PHE CA  C    sing N N 225 
PHE CA  CB   sing N N 226 
PHE CA  HA   sing N N 227 
PHE C   O    doub N N 228 
PHE C   OXT  sing N N 229 
PHE CB  CG   sing N N 230 
PHE CB  HB2  sing N N 231 
PHE CB  HB3  sing N N 232 
PHE CG  CD1  doub Y N 233 
PHE CG  CD2  sing Y N 234 
PHE CD1 CE1  sing Y N 235 
PHE CD1 HD1  sing N N 236 
PHE CD2 CE2  doub Y N 237 
PHE CD2 HD2  sing N N 238 
PHE CE1 CZ   doub Y N 239 
PHE CE1 HE1  sing N N 240 
PHE CE2 CZ   sing Y N 241 
PHE CE2 HE2  sing N N 242 
PHE CZ  HZ   sing N N 243 
PHE OXT HXT  sing N N 244 
PRO N   CA   sing N N 245 
PRO N   CD   sing N N 246 
PRO N   H    sing N N 247 
PRO CA  C    sing N N 248 
PRO CA  CB   sing N N 249 
PRO CA  HA   sing N N 250 
PRO C   O    doub N N 251 
PRO C   OXT  sing N N 252 
PRO CB  CG   sing N N 253 
PRO CB  HB2  sing N N 254 
PRO CB  HB3  sing N N 255 
PRO CG  CD   sing N N 256 
PRO CG  HG2  sing N N 257 
PRO CG  HG3  sing N N 258 
PRO CD  HD2  sing N N 259 
PRO CD  HD3  sing N N 260 
PRO OXT HXT  sing N N 261 
SER N   CA   sing N N 262 
SER N   H    sing N N 263 
SER N   H2   sing N N 264 
SER CA  C    sing N N 265 
SER CA  CB   sing N N 266 
SER CA  HA   sing N N 267 
SER C   O    doub N N 268 
SER C   OXT  sing N N 269 
SER CB  OG   sing N N 270 
SER CB  HB2  sing N N 271 
SER CB  HB3  sing N N 272 
SER OG  HG   sing N N 273 
SER OXT HXT  sing N N 274 
THR N   CA   sing N N 275 
THR N   H    sing N N 276 
THR N   H2   sing N N 277 
THR CA  C    sing N N 278 
THR CA  CB   sing N N 279 
THR CA  HA   sing N N 280 
THR C   O    doub N N 281 
THR C   OXT  sing N N 282 
THR CB  OG1  sing N N 283 
THR CB  CG2  sing N N 284 
THR CB  HB   sing N N 285 
THR OG1 HG1  sing N N 286 
THR CG2 HG21 sing N N 287 
THR CG2 HG22 sing N N 288 
THR CG2 HG23 sing N N 289 
THR OXT HXT  sing N N 290 
TRP N   CA   sing N N 291 
TRP N   H    sing N N 292 
TRP N   H2   sing N N 293 
TRP CA  C    sing N N 294 
TRP CA  CB   sing N N 295 
TRP CA  HA   sing N N 296 
TRP C   O    doub N N 297 
TRP C   OXT  sing N N 298 
TRP CB  CG   sing N N 299 
TRP CB  HB2  sing N N 300 
TRP CB  HB3  sing N N 301 
TRP CG  CD1  doub Y N 302 
TRP CG  CD2  sing Y N 303 
TRP CD1 NE1  sing Y N 304 
TRP CD1 HD1  sing N N 305 
TRP CD2 CE2  doub Y N 306 
TRP CD2 CE3  sing Y N 307 
TRP NE1 CE2  sing Y N 308 
TRP NE1 HE1  sing N N 309 
TRP CE2 CZ2  sing Y N 310 
TRP CE3 CZ3  doub Y N 311 
TRP CE3 HE3  sing N N 312 
TRP CZ2 CH2  doub Y N 313 
TRP CZ2 HZ2  sing N N 314 
TRP CZ3 CH2  sing Y N 315 
TRP CZ3 HZ3  sing N N 316 
TRP CH2 HH2  sing N N 317 
TRP OXT HXT  sing N N 318 
TYR N   CA   sing N N 319 
TYR N   H    sing N N 320 
TYR N   H2   sing N N 321 
TYR CA  C    sing N N 322 
TYR CA  CB   sing N N 323 
TYR CA  HA   sing N N 324 
TYR C   O    doub N N 325 
TYR C   OXT  sing N N 326 
TYR CB  CG   sing N N 327 
TYR CB  HB2  sing N N 328 
TYR CB  HB3  sing N N 329 
TYR CG  CD1  doub Y N 330 
TYR CG  CD2  sing Y N 331 
TYR CD1 CE1  sing Y N 332 
TYR CD1 HD1  sing N N 333 
TYR CD2 CE2  doub Y N 334 
TYR CD2 HD2  sing N N 335 
TYR CE1 CZ   doub Y N 336 
TYR CE1 HE1  sing N N 337 
TYR CE2 CZ   sing Y N 338 
TYR CE2 HE2  sing N N 339 
TYR CZ  OH   sing N N 340 
TYR OH  HH   sing N N 341 
TYR OXT HXT  sing N N 342 
VAL N   CA   sing N N 343 
VAL N   H    sing N N 344 
VAL N   H2   sing N N 345 
VAL CA  C    sing N N 346 
VAL CA  CB   sing N N 347 
VAL CA  HA   sing N N 348 
VAL C   O    doub N N 349 
VAL C   OXT  sing N N 350 
VAL CB  CG1  sing N N 351 
VAL CB  CG2  sing N N 352 
VAL CB  HB   sing N N 353 
VAL CG1 HG11 sing N N 354 
VAL CG1 HG12 sing N N 355 
VAL CG1 HG13 sing N N 356 
VAL CG2 HG21 sing N N 357 
VAL CG2 HG22 sing N N 358 
VAL CG2 HG23 sing N N 359 
VAL OXT HXT  sing N N 360 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Biotechnology and Biological Sciences Research Council (BBSRC)' 'United Kingdom' BB/R018413/1 1 
'Biotechnology and Biological Sciences Research Council (BBSRC)' 'United Kingdom' BB/X002624/1 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   1A70 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 21 21 21' 
_space_group.name_Hall        'P 2ac 2ab' 
_space_group.IT_number        19 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9GYD 
_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]   0.033002 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.019451 
_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]   0.016304 
_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 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C  ? ? 2.51340  1.74867 1.72398 ? 31.80534 0.44561  10.58317 ? 0.0 
;3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
FE ? ? 13.53868 8.76290 3.62829 ? 5.59997  0.29039  49.61845 ? 0.0 
;3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H  ? ? 0.53795  0.34799 0.11320 ? 10.08003 29.74760 2.57510  ? 0.0 
;3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N  ? ? 2.99955  2.25584 1.72788 ? 23.27268 7.45433  0.31622  ? 0.0 
;3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O  ? ? 4.49882  3.47563 ?       ? 15.80542 1.70748  ?        ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S  ? ? 9.55732  6.39887 ?       ? 1.23737  29.19336 ?        ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
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    . GLY A 1 4   ? 8.69603   0.64881   9.30656   1.000 31.61816 ? -4  GLY A N    1 
ATOM   2    C  CA   . GLY A 1 4   ? 7.49012   1.25046   9.92926   1.000 31.27582 ? -4  GLY A CA   1 
ATOM   3    C  C    . GLY A 1 4   ? 6.21770   0.71140   9.32071   1.000 31.20223 ? -4  GLY A C    1 
ATOM   4    O  O    . GLY A 1 4   ? 5.13080   0.94752   9.85642   1.000 33.01058 ? -4  GLY A O    1 
ATOM   5    H  H    . GLY A 1 4   ? 9.42273   0.92489   9.73988   1.000 37.94179 ? -4  GLY A H    1 
ATOM   6    H  HA2  . GLY A 1 4   ? 7.48495   1.05450   10.87925  1.000 37.53099 ? -4  GLY A HA2  1 
ATOM   7    H  HA3  . GLY A 1 4   ? 7.50806   2.21234   9.80532   1.000 37.53099 ? -4  GLY A HA3  1 
ATOM   8    N  N    . SER A 1 5   ? 6.35282   -0.03796  8.20617   1.000 34.52116 ? -3  SER A N    1 
ATOM   9    C  CA   . SER A 1 5   ? 5.16326   -0.42900  7.45063   1.000 35.77769 ? -3  SER A CA   1 
ATOM   10   C  C    . SER A 1 5   ? 4.57191   -1.74179  7.95953   1.000 30.43002 ? -3  SER A C    1 
ATOM   11   O  O    . SER A 1 5   ? 5.30978   -2.69612  8.21879   1.000 30.49852 ? -3  SER A O    1 
ATOM   12   C  CB   . SER A 1 5   ? 5.53369   -0.61995  5.98837   1.000 41.67399 ? -3  SER A CB   1 
ATOM   13   O  OG   . SER A 1 5   ? 5.83525   0.63594   5.45075   1.000 44.36180 ? -3  SER A OG   1 
ATOM   14   H  H    . SER A 1 5   ? 7.09898   -0.31912  7.88400   1.000 41.42539 ? -3  SER A H    1 
ATOM   15   H  HA   . SER A 1 5   ? 4.48847   0.26111   7.54708   1.000 42.93323 ? -3  SER A HA   1 
ATOM   16   H  HB2  . SER A 1 5   ? 6.30866   -1.19935  5.92039   1.000 50.00879 ? -3  SER A HB2  1 
ATOM   17   H  HB3  . SER A 1 5   ? 4.78529   -1.00938  5.50967   1.000 50.00879 ? -3  SER A HB3  1 
ATOM   18   H  HG   . SER A 1 5   ? 5.90697   0.58124   4.61560   1.000 53.23416 ? -3  SER A HG   1 
ATOM   19   N  N    . PRO A 1 6   ? 3.24168   -1.82287  8.01408   1.000 24.89406 ? -2  PRO A N    1 
ATOM   20   C  CA   . PRO A 1 6   ? 2.59277   -3.06682  8.44506   1.000 22.49899 ? -2  PRO A CA   1 
ATOM   21   C  C    . PRO A 1 6   ? 2.67984   -4.15825  7.38896   1.000 23.21525 ? -2  PRO A C    1 
ATOM   22   O  O    . PRO A 1 6   ? 2.67631   -3.90347  6.17617   1.000 26.62447 ? -2  PRO A O    1 
ATOM   23   C  CB   . PRO A 1 6   ? 1.14021   -2.64264  8.64012   1.000 21.05356 ? -2  PRO A CB   1 
ATOM   24   C  CG   . PRO A 1 6   ? 0.96607   -1.48159  7.69236   1.000 21.78684 ? -2  PRO A CG   1 
ATOM   25   C  CD   . PRO A 1 6   ? 2.26194   -0.78609  7.62144   1.000 23.53656 ? -2  PRO A CD   1 
ATOM   26   H  HA   . PRO A 1 6   ? 2.98142   -3.38089  9.27645   1.000 26.99879 ? -2  PRO A HA   1 
ATOM   27   H  HB2  . PRO A 1 6   ? 0.54534   -3.37390  8.41147   1.000 25.26427 ? -2  PRO A HB2  1 
ATOM   28   H  HB3  . PRO A 1 6   ? 0.99265   -2.36992  9.55922   1.000 25.26427 ? -2  PRO A HB3  1 
ATOM   29   H  HG2  . PRO A 1 6   ? 0.71137   -1.81467  6.81767   1.000 26.14421 ? -2  PRO A HG2  1 
ATOM   30   H  HG3  . PRO A 1 6   ? 0.27995   -0.88685  8.03357   1.000 26.14421 ? -2  PRO A HG3  1 
ATOM   31   H  HD2  . PRO A 1 6   ? 2.43516   -0.47427  6.71941   1.000 28.24387 ? -2  PRO A HD2  1 
ATOM   32   H  HD3  . PRO A 1 6   ? 2.28525   -0.03982  8.24066   1.000 28.24387 ? -2  PRO A HD3  1 
ATOM   33   N  N    . GLU A 1 7   ? 2.66972   -5.39939  7.86819   1.000 22.59346 ? -1  GLU A N    1 
ATOM   34   C  CA   . GLU A 1 7   ? 2.61457   -6.52386  6.94803   1.000 24.39723 ? -1  GLU A CA   1 
ATOM   35   C  C    . GLU A 1 7   ? 1.30256   -6.53461  6.17060   1.000 22.88031 ? -1  GLU A C    1 
ATOM   36   O  O    . GLU A 1 7   ? 1.29191   -6.86791  4.98115   1.000 25.50341 ? -1  GLU A O    1 
ATOM   37   C  CB   . GLU A 1 7   ? 2.78646   -7.84037  7.69977   1.000 29.18385 ? -1  GLU A CB   1 
ATOM   38   C  CG   . GLU A 1 7   ? 2.99251   -9.07956  6.81288   1.000 36.28400 ? -1  GLU A CG   1 
ATOM   39   C  CD   . GLU A 1 7   ? 4.24661   -9.05509  5.93743   1.000 44.92789 ? -1  GLU A CD   1 
ATOM   40   O  OE1  . GLU A 1 7   ? 5.18660   -8.27881  6.23898   1.000 49.88117 ? -1  GLU A OE1  1 
ATOM   41   O  OE2  . GLU A 1 7   ? 4.28835   -9.82348  4.94214   1.000 48.86115 ? -1  GLU A OE2  1 
ATOM   42   H  H    . GLU A 1 7   ? 2.69352   -5.61033  8.70157   1.000 27.11215 ? -1  GLU A H    1 
ATOM   43   H  HA   . GLU A 1 7   ? 3.34771   -6.43892  6.31860   1.000 29.27667 ? -1  GLU A HA   1 
ATOM   44   H  HB2  . GLU A 1 7   ? 3.56268   -7.76441  8.27649   1.000 35.02061 ? -1  GLU A HB2  1 
ATOM   45   H  HB3  . GLU A 1 7   ? 1.99089   -7.99454  8.23286   1.000 35.02061 ? -1  GLU A HB3  1 
ATOM   46   H  HG2  . GLU A 1 7   ? 3.05524   -9.85953  7.38612   1.000 43.54080 ? -1  GLU A HG2  1 
ATOM   47   H  HG3  . GLU A 1 7   ? 2.22845   -9.16327  6.22119   1.000 43.54080 ? -1  GLU A HG3  1 
ATOM   48   N  N    . PHE A 1 8   ? 0.20944   -6.12339  6.80578   1.000 19.98287 ? 0   PHE A N    1 
ATOM   49   C  CA   . PHE A 1 8   ? -1.11685  -6.11012  6.21646   1.000 19.36916 ? 0   PHE A CA   1 
ATOM   50   C  C    . PHE A 1 8   ? -1.74834  -4.77487  6.59520   1.000 17.09202 ? 0   PHE A C    1 
ATOM   51   O  O    . PHE A 1 8   ? -1.60013  -4.31013  7.73073   1.000 16.35583 ? 0   PHE A O    1 
ATOM   52   C  CB   . PHE A 1 8   ? -1.99394  -7.24630  6.78205   1.000 22.52482 ? 0   PHE A CB   1 
ATOM   53   C  CG   . PHE A 1 8   ? -1.45528  -8.62479  6.51302   1.000 29.62145 ? 0   PHE A CG   1 
ATOM   54   C  CD1  . PHE A 1 8   ? -1.12557  -9.46730  7.55390   1.000 37.77060 ? 0   PHE A CD1  1 
ATOM   55   C  CD2  . PHE A 1 8   ? -1.29084  -9.08281  5.21052   1.000 31.60689 ? 0   PHE A CD2  1 
ATOM   56   C  CE1  . PHE A 1 8   ? -0.63488  -10.74752 7.29726   1.000 40.84902 ? 0   PHE A CE1  1 
ATOM   57   C  CE2  . PHE A 1 8   ? -0.79656  -10.35540 4.95457   1.000 36.02733 ? 0   PHE A CE2  1 
ATOM   58   C  CZ   . PHE A 1 8   ? -0.47767  -11.18101 5.99494   1.000 37.87526 ? 0   PHE A CZ   1 
ATOM   59   H  H    . PHE A 1 8   ? 0.21506   -5.83502  7.61597   1.000 23.97944 ? 0   PHE A H    1 
ATOM   60   H  HA   . PHE A 1 8   ? -1.06932  -6.21477  5.25330   1.000 23.24299 ? 0   PHE A HA   1 
ATOM   61   H  HB2  . PHE A 1 8   ? -2.06138  -7.13810  7.74364   1.000 27.02978 ? 0   PHE A HB2  1 
ATOM   62   H  HB3  . PHE A 1 8   ? -2.87453  -7.18956  6.37925   1.000 27.02978 ? 0   PHE A HB3  1 
ATOM   63   H  HD1  . PHE A 1 8   ? -1.23101  -9.18015  8.43215   1.000 45.32471 ? 0   PHE A HD1  1 
ATOM   64   H  HD2  . PHE A 1 8   ? -1.51554  -8.52786  4.49887   1.000 37.92826 ? 0   PHE A HD2  1 
ATOM   65   H  HE1  . PHE A 1 8   ? -0.41323  -11.31011 8.00384   1.000 49.01883 ? 0   PHE A HE1  1 
ATOM   66   H  HE2  . PHE A 1 8   ? -0.68314  -10.64433 4.07790   1.000 43.23280 ? 0   PHE A HE2  1 
ATOM   67   H  HZ   . PHE A 1 8   ? -0.15414  -12.03646 5.82633   1.000 45.45032 ? 0   PHE A HZ   1 
ATOM   68   N  N    . ALA A 1 9   ? -2.50223  -4.19226  5.67344   1.000 16.88054 ? 1   ALA A N    1 
ATOM   69   C  CA   . ALA A 1 9   ? -3.20060  -2.96714  5.96568   1.000 16.17295 ? 1   ALA A CA   1 
ATOM   70   C  C    . ALA A 1 9   ? -4.43699  -2.85323  5.11640   1.000 15.17599 ? 1   ALA A C    1 
ATOM   71   O  O    . ALA A 1 9   ? -4.49936  -3.40839  4.01435   1.000 15.96727 ? 1   ALA A O    1 
ATOM   72   C  CB   . ALA A 1 9   ? -2.31731  -1.74919  5.74195   1.000 18.02531 ? 1   ALA A CB   1 
ATOM   73   H  H    . ALA A 1 9   ? -2.62023  -4.49172  4.87594   1.000 20.25665 ? 1   ALA A H    1 
ATOM   74   H  HA   . ALA A 1 9   ? -3.47926  -2.99129  6.89447   1.000 19.40754 ? 1   ALA A HA   1 
ATOM   75   H  HB1  . ALA A 1 9   ? -2.83466  -0.94749  5.91667   1.000 21.63037 ? 1   ALA A HB1  1 
ATOM   76   H  HB2  . ALA A 1 9   ? -1.56027  -1.79270  6.34685   1.000 21.63037 ? 1   ALA A HB2  1 
ATOM   77   H  HB3  . ALA A 1 9   ? -2.00683  -1.74876  4.82298   1.000 21.63037 ? 1   ALA A HB3  1 
ATOM   78   N  N    . ALA A 1 10  ? -5.38797  -2.08967  5.62985   1.000 14.39517 ? 2   ALA A N    1 
ATOM   79   C  CA   . ALA A 1 10  ? -6.55779  -1.68755  4.89394   1.000 13.70026 ? 2   ALA A CA   1 
ATOM   80   C  C    . ALA A 1 10  ? -6.80336  -0.20912  5.15756   1.000 12.79015 ? 2   ALA A C    1 
ATOM   81   O  O    . ALA A 1 10  ? -6.31729  0.36745   6.12961   1.000 14.08544 ? 2   ALA A O    1 
ATOM   82   C  CB   . ALA A 1 10  ? -7.74185  -2.50056  5.32253   1.000 14.88402 ? 2   ALA A CB   1 
ATOM   83   H  H    . ALA A 1 10  ? -5.37187  -1.78358  6.43337   1.000 17.27421 ? 2   ALA A H    1 
ATOM   84   H  HA   . ALA A 1 10  ? -6.42674  -1.80642  3.94021   1.000 16.44032 ? 2   ALA A HA   1 
ATOM   85   H  HB1  . ALA A 1 10  ? -8.51573  -2.22865  4.80477   1.000 17.86083 ? 2   ALA A HB1  1 
ATOM   86   H  HB2  . ALA A 1 10  ? -7.55323  -3.43930  5.16731   1.000 17.86083 ? 2   ALA A HB2  1 
ATOM   87   H  HB3  . ALA A 1 10  ? -7.90499  -2.34761  6.26640   1.000 17.86083 ? 2   ALA A HB3  1 
ATOM   88   N  N    . TYR A 1 11  ? -7.59762  0.40620   4.28848   1.000 12.51573 ? 3   TYR A N    1 
ATOM   89   C  CA   . TYR A 1 11  ? -7.88634  1.80853   4.38016   1.000 12.22857 ? 3   TYR A CA   1 
ATOM   90   C  C    . TYR A 1 11  ? -9.37075  2.07090   4.25786   1.000 12.04342 ? 3   TYR A C    1 
ATOM   91   O  O    . TYR A 1 11  ? -10.10900 1.34553   3.59110   1.000 12.34001 ? 3   TYR A O    1 
ATOM   92   C  CB   . TYR A 1 11  ? -7.13435  2.62363   3.27088   1.000 12.91789 ? 3   TYR A CB   1 
ATOM   93   C  CG   . TYR A 1 11  ? -5.64208  2.52457   3.45076   1.000 12.96643 ? 3   TYR A CG   1 
ATOM   94   C  CD1  . TYR A 1 11  ? -5.01560  3.15381   4.52487   1.000 13.53441 ? 3   TYR A CD1  1 
ATOM   95   C  CD2  . TYR A 1 11  ? -4.86607  1.76162   2.60629   1.000 14.05990 ? 3   TYR A CD2  1 
ATOM   96   C  CE1  . TYR A 1 11  ? -3.68404  3.01236   4.78642   1.000 15.20691 ? 3   TYR A CE1  1 
ATOM   97   C  CE2  . TYR A 1 11  ? -3.47275  1.64672   2.85525   1.000 15.56577 ? 3   TYR A CE2  1 
ATOM   98   C  CZ   . TYR A 1 11  ? -2.92766  2.24163   3.95691   1.000 15.55613 ? 3   TYR A CZ   1 
ATOM   99   O  OH   . TYR A 1 11  ? -1.58568  2.07851   4.25086   1.000 17.63406 ? 3   TYR A OH   1 
ATOM   100  H  H    . TYR A 1 11  ? -7.98341  0.01409   3.62741   1.000 15.01888 ? 3   TYR A H    1 
ATOM   101  H  HA   . TYR A 1 11  ? -7.60319  2.11779   5.25485   1.000 14.67429 ? 3   TYR A HA   1 
ATOM   102  H  HB2  . TYR A 1 11  ? -7.36383  2.26864   2.39783   1.000 15.50146 ? 3   TYR A HB2  1 
ATOM   103  H  HB3  . TYR A 1 11  ? -7.39027  3.55757   3.32701   1.000 15.50146 ? 3   TYR A HB3  1 
ATOM   104  H  HD1  . TYR A 1 11  ? -5.52583  3.69193   5.08611   1.000 16.24130 ? 3   TYR A HD1  1 
ATOM   105  H  HD2  . TYR A 1 11  ? -5.25085  1.32606   1.88026   1.000 16.87188 ? 3   TYR A HD2  1 
ATOM   106  H  HE1  . TYR A 1 11  ? -3.29908  3.43562   5.51960   1.000 18.24829 ? 3   TYR A HE1  1 
ATOM   107  H  HE2  . TYR A 1 11  ? -2.93265  1.16734   2.26926   1.000 18.67892 ? 3   TYR A HE2  1 
ATOM   108  H  HH   . TYR A 1 11  ? -1.38776  2.51421   4.94122   1.000 21.16087 ? 3   TYR A HH   1 
ATOM   109  N  N    . LYS A 1 12  ? -9.80824  3.13230   4.92176   1.000 11.78193 ? 4   LYS A N    1 
ATOM   110  C  CA   A LYS A 1 12  ? -11.20625 3.52439   4.88541   0.315 12.09974 ? 4   LYS A CA   1 
ATOM   111  C  CA   B LYS A 1 12  ? -11.19830 3.53340   4.88746   0.685 11.85235 ? 4   LYS A CA   1 
ATOM   112  C  C    . LYS A 1 12  ? -11.50180 4.26346   3.57986   1.000 11.21008 ? 4   LYS A C    1 
ATOM   113  O  O    . LYS A 1 12  ? -10.93357 5.32703   3.31970   1.000 11.95499 ? 4   LYS A O    1 
ATOM   114  C  CB   A LYS A 1 12  ? -11.55209 4.41268   6.07757   0.315 13.79995 ? 4   LYS A CB   1 
ATOM   115  C  CB   B LYS A 1 12  ? -11.51438 4.45867   6.05549   0.685 13.18315 ? 4   LYS A CB   1 
ATOM   116  C  CG   A LYS A 1 12  ? -13.02657 4.78264   6.14459   0.315 16.38384 ? 4   LYS A CG   1 
ATOM   117  C  CG   B LYS A 1 12  ? -12.99596 4.72823   6.20250   0.685 16.48392 ? 4   LYS A CG   1 
ATOM   118  C  CD   A LYS A 1 12  ? -13.35418 5.77734   7.26393   0.315 20.55953 ? 4   LYS A CD   1 
ATOM   119  C  CD   B LYS A 1 12  ? -13.38066 5.40291   7.51367   0.685 23.29213 ? 4   LYS A CD   1 
ATOM   120  C  CE   A LYS A 1 12  ? -12.81387 5.33356   8.61186   0.315 25.96912 ? 4   LYS A CE   1 
ATOM   121  C  CE   B LYS A 1 12  ? -13.20787 6.90454   7.45191   0.685 30.71850 ? 4   LYS A CE   1 
ATOM   122  N  NZ   A LYS A 1 12  ? -13.82689 5.49536   9.69699   0.315 28.51154 ? 4   LYS A NZ   1 
ATOM   123  N  NZ   B LYS A 1 12  ? -13.29364 7.52792   8.80984   0.685 34.95952 ? 4   LYS A NZ   1 
ATOM   124  H  H    A LYS A 1 12  ? -9.31137  3.64357   5.40271   0.315 14.13832 ? 4   LYS A H    1 
ATOM   125  H  H    B LYS A 1 12  ? -9.31007  3.64062   5.40450   0.685 14.13832 ? 4   LYS A H    1 
ATOM   126  H  HA   A LYS A 1 12  ? -11.75461 2.72535   4.92711   0.315 14.51968 ? 4   LYS A HA   1 
ATOM   127  H  HA   B LYS A 1 12  ? -11.74822 2.73646   4.94567   0.685 14.22282 ? 4   LYS A HA   1 
ATOM   128  H  HB2  A LYS A 1 12  ? -11.32522 3.94259   6.89516   0.315 16.55994 ? 4   LYS A HB2  1 
ATOM   129  H  HB2  B LYS A 1 12  ? -11.20038 4.04913   6.87682   0.685 15.81978 ? 4   LYS A HB2  1 
ATOM   130  H  HB3  A LYS A 1 12  ? -11.04103 5.23473   6.01481   0.315 16.55994 ? 4   LYS A HB3  1 
ATOM   131  H  HB3  B LYS A 1 12  ? -11.06672 5.30780   5.91592   0.685 15.81978 ? 4   LYS A HB3  1 
ATOM   132  H  HG2  A LYS A 1 12  ? -13.28749 5.18702   5.30239   0.315 19.66060 ? 4   LYS A HG2  1 
ATOM   133  H  HG2  B LYS A 1 12  ? -13.27965 5.30912   5.47932   0.685 19.78071 ? 4   LYS A HG2  1 
ATOM   134  H  HG3  A LYS A 1 12  ? -13.54541 3.97816   6.30116   0.315 19.66060 ? 4   LYS A HG3  1 
ATOM   135  H  HG3  B LYS A 1 12  ? -13.47175 3.88420   6.15617   0.685 19.78071 ? 4   LYS A HG3  1 
ATOM   136  H  HD2  A LYS A 1 12  ? -12.95951 6.63724   7.05013   0.315 24.67143 ? 4   LYS A HD2  1 
ATOM   137  H  HD2  B LYS A 1 12  ? -14.31167 5.21331   7.70905   0.685 27.95055 ? 4   LYS A HD2  1 
ATOM   138  H  HD3  A LYS A 1 12  ? -14.31731 5.86403   7.33983   0.315 24.67143 ? 4   LYS A HD3  1 
ATOM   139  H  HD3  B LYS A 1 12  ? -12.81632 5.06249   8.22538   0.685 27.95055 ? 4   LYS A HD3  1 
ATOM   140  H  HE2  A LYS A 1 12  ? -12.56656 4.39681   8.56461   0.315 31.16295 ? 4   LYS A HE2  1 
ATOM   141  H  HE2  B LYS A 1 12  ? -12.33777 7.11170   7.07653   0.685 36.86220 ? 4   LYS A HE2  1 
ATOM   142  H  HE3  A LYS A 1 12  ? -12.03831 5.87045   8.83803   0.315 31.16295 ? 4   LYS A HE3  1 
ATOM   143  H  HE3  B LYS A 1 12  ? -13.90732 7.28495   6.89786   0.685 36.86220 ? 4   LYS A HE3  1 
ATOM   144  H  HZ1  A LYS A 1 12  ? -13.48583 5.22756   10.47421  0.315 34.21385 ? 4   LYS A HZ1  1 
ATOM   145  H  HZ1  B LYS A 1 12  ? -13.18322 8.40887   8.74789   0.685 41.95143 ? 4   LYS A HZ1  1 
ATOM   146  H  HZ2  A LYS A 1 12  ? -14.06570 6.34998   9.76551   0.315 34.21385 ? 4   LYS A HZ2  1 
ATOM   147  H  HZ2  B LYS A 1 12  ? -14.08958 7.36132   9.17154   0.685 41.95143 ? 4   LYS A HZ2  1 
ATOM   148  H  HZ3  A LYS A 1 12  ? -14.54863 5.00749   9.51486   0.315 34.21385 ? 4   LYS A HZ3  1 
ATOM   149  H  HZ3  B LYS A 1 12  ? -12.66046 7.19393   9.33864   0.685 41.95143 ? 4   LYS A HZ3  1 
ATOM   150  N  N    . VAL A 1 13  ? -12.40168 3.69862   2.78590   1.000 11.24557 ? 5   VAL A N    1 
ATOM   151  C  CA   . VAL A 1 13  ? -12.83235 4.27082   1.52075   1.000 11.03641 ? 5   VAL A CA   1 
ATOM   152  C  C    . VAL A 1 13  ? -14.22422 4.84641   1.72609   1.000 11.45723 ? 5   VAL A C    1 
ATOM   153  O  O    . VAL A 1 13  ? -15.15213 4.12103   2.11682   1.000 12.55935 ? 5   VAL A O    1 
ATOM   154  C  CB   . VAL A 1 13  ? -12.83245 3.22206   0.40939   1.000 11.41630 ? 5   VAL A CB   1 
ATOM   155  C  CG1  . VAL A 1 13  ? -13.37796 3.82669   -0.88225  1.000 11.80488 ? 5   VAL A CG1  1 
ATOM   156  C  CG2  . VAL A 1 13  ? -11.45377 2.65430   0.20997   1.000 12.33744 ? 5   VAL A CG2  1 
ATOM   157  H  H    . VAL A 1 13  ? -12.79156 2.95384   2.96727   1.000 13.49468 ? 5   VAL A H    1 
ATOM   158  H  HA   . VAL A 1 13  ? -12.23455 4.99103   1.26614   1.000 13.24370 ? 5   VAL A HA   1 
ATOM   159  H  HB   . VAL A 1 13  ? -13.41179 2.48706   0.66443   1.000 13.69955 ? 5   VAL A HB   1 
ATOM   160  H  HG11 . VAL A 1 13  ? -13.19403 3.22065   -1.61695  1.000 14.16585 ? 5   VAL A HG11 1 
ATOM   161  H  HG12 . VAL A 1 13  ? -14.33508 3.95523   -0.79118  1.000 14.16585 ? 5   VAL A HG12 1 
ATOM   162  H  HG13 . VAL A 1 13  ? -12.94323 4.67934   -1.04004  1.000 14.16585 ? 5   VAL A HG13 1 
ATOM   163  H  HG21 . VAL A 1 13  ? -11.47495 2.02544   -0.52826  1.000 14.80493 ? 5   VAL A HG21 1 
ATOM   164  H  HG22 . VAL A 1 13  ? -10.83993 3.37833   0.01023   1.000 14.80493 ? 5   VAL A HG22 1 
ATOM   165  H  HG23 . VAL A 1 13  ? -11.17813 2.20157   1.02235   1.000 14.80493 ? 5   VAL A HG23 1 
ATOM   166  N  N    . THR A 1 14  ? -14.36551 6.13964   1.46124   1.000 10.60282 ? 6   THR A N    1 
ATOM   167  C  CA   . THR A 1 14  ? -15.65094 6.81284   1.42800   1.000 11.08453 ? 6   THR A CA   1 
ATOM   168  C  C    . THR A 1 14  ? -15.98408 7.06597   -0.03995  1.000 10.43654 ? 6   THR A C    1 
ATOM   169  O  O    . THR A 1 14  ? -15.23436 7.76804   -0.71354  1.000 11.53111 ? 6   THR A O    1 
ATOM   170  C  CB   . THR A 1 14  ? -15.59278 8.15189   2.20136   1.000 12.71719 ? 6   THR A CB   1 
ATOM   171  O  OG1  . THR A 1 14  ? -15.19552 7.89153   3.54345   1.000 14.79594 ? 6   THR A OG1  1 
ATOM   172  C  CG2  . THR A 1 14  ? -16.91840 8.88095   2.15860   1.000 13.94849 ? 6   THR A CG2  1 
ATOM   173  H  H    . THR A 1 14  ? -13.70535 6.66415   1.29187   1.000 12.72339 ? 6   THR A H    1 
ATOM   174  H  HA   . THR A 1 14  ? -16.33695 6.25970   1.83337   1.000 13.30143 ? 6   THR A HA   1 
ATOM   175  H  HB   . THR A 1 14  ? -14.94615 8.74353   1.78575   1.000 15.26063 ? 6   THR A HB   1 
ATOM   176  H  HG1  . THR A 1 14  ? -15.87275 7.76640   4.02439   1.000 17.75513 ? 6   THR A HG1  1 
ATOM   177  H  HG21 . THR A 1 14  ? -16.88503 9.66387   2.73029   1.000 16.73819 ? 6   THR A HG21 1 
ATOM   178  H  HG22 . THR A 1 14  ? -17.11331 9.16204   1.25091   1.000 16.73819 ? 6   THR A HG22 1 
ATOM   179  H  HG23 . THR A 1 14  ? -17.62861 8.29639   2.46648   1.000 16.73819 ? 6   THR A HG23 1 
ATOM   180  N  N    . LEU A 1 15  ? -17.08766 6.49890   -0.51056  1.000 10.66604 ? 7   LEU A N    1 
ATOM   181  C  CA   . LEU A 1 15  ? -17.57017 6.76542   -1.86470  1.000 10.66041 ? 7   LEU A CA   1 
ATOM   182  C  C    . LEU A 1 15  ? -18.76643 7.69658   -1.81034  1.000 10.93933 ? 7   LEU A C    1 
ATOM   183  O  O    . LEU A 1 15  ? -19.75034 7.41334   -1.11440  1.000 12.00556 ? 7   LEU A O    1 
ATOM   184  C  CB   . LEU A 1 15  ? -17.96856 5.47081   -2.60185  1.000 11.33516 ? 7   LEU A CB   1 
ATOM   185  C  CG   . LEU A 1 15  ? -16.86074 4.44892   -2.73129  1.000 11.52531 ? 7   LEU A CG   1 
ATOM   186  C  CD1  . LEU A 1 15  ? -17.38598 3.25153   -3.52245  1.000 13.38790 ? 7   LEU A CD1  1 
ATOM   187  C  CD2  . LEU A 1 15  ? -15.61665 4.98793   -3.38855  1.000 11.81824 ? 7   LEU A CD2  1 
ATOM   188  H  H    . LEU A 1 15  ? -17.57880 5.95247   -0.06359  1.000 12.79925 ? 7   LEU A H    1 
ATOM   189  H  HA   . LEU A 1 15  ? -16.85428 7.19082   -2.36212  1.000 12.79249 ? 7   LEU A HA   1 
ATOM   190  H  HB2  . LEU A 1 15  ? -18.69698 5.05267   -2.11661  1.000 13.60219 ? 7   LEU A HB2  1 
ATOM   191  H  HB3  . LEU A 1 15  ? -18.25757 5.70400   -3.49795  1.000 13.60219 ? 7   LEU A HB3  1 
ATOM   192  H  HG   . LEU A 1 15  ? -16.59489 4.18428   -1.83676  1.000 13.83037 ? 7   LEU A HG   1 
ATOM   193  H  HD11 . LEU A 1 15  ? -16.68663 2.58217   -3.58371  1.000 16.06548 ? 7   LEU A HD11 1 
ATOM   194  H  HD12 . LEU A 1 15  ? -18.15700 2.88329   -3.06328  1.000 16.06548 ? 7   LEU A HD12 1 
ATOM   195  H  HD13 . LEU A 1 15  ? -17.63994 3.54684   -4.41082  1.000 16.06548 ? 7   LEU A HD13 1 
ATOM   196  H  HD21 . LEU A 1 15  ? -14.99738 4.25683   -3.53988  1.000 14.18189 ? 7   LEU A HD21 1 
ATOM   197  H  HD22 . LEU A 1 15  ? -15.85823 5.39720   -4.23415  1.000 14.18189 ? 7   LEU A HD22 1 
ATOM   198  H  HD23 . LEU A 1 15  ? -15.21209 5.64866   -2.80489  1.000 14.18189 ? 7   LEU A HD23 1 
ATOM   199  N  N    . VAL A 1 16  ? -18.68813 8.79051   -2.55253  1.000 10.28076 ? 8   VAL A N    1 
ATOM   200  C  CA   . VAL A 1 16  ? -19.79993 9.71589   -2.70813  1.000 10.51493 ? 8   VAL A CA   1 
ATOM   201  C  C    . VAL A 1 16  ? -20.48446 9.30088   -4.00539  1.000 10.88955 ? 8   VAL A C    1 
ATOM   202  O  O    . VAL A 1 16  ? -19.96045 9.56899   -5.10219  1.000 11.71783 ? 8   VAL A O    1 
ATOM   203  C  CB   . VAL A 1 16  ? -19.29835 11.16211  -2.77070  1.000 10.89032 ? 8   VAL A CB   1 
ATOM   204  C  CG1  . VAL A 1 16  ? -20.46402 12.10763  -3.02354  1.000 11.98946 ? 8   VAL A CG1  1 
ATOM   205  C  CG2  . VAL A 1 16  ? -18.54999 11.53831  -1.51285  1.000 11.81558 ? 8   VAL A CG2  1 
ATOM   206  H  H    . VAL A 1 16  ? -17.98358 9.02420   -2.98681  1.000 12.33692 ? 8   VAL A H    1 
ATOM   207  H  HA   . VAL A 1 16  ? -20.42623 9.63751   -1.97158  1.000 12.61792 ? 8   VAL A HA   1 
ATOM   208  H  HB   . VAL A 1 16  ? -18.67307 11.24577  -3.50754  1.000 13.06838 ? 8   VAL A HB   1 
ATOM   209  H  HG11 . VAL A 1 16  ? -20.16817 13.01980  -2.87748  1.000 14.38735 ? 8   VAL A HG11 1 
ATOM   210  H  HG12 . VAL A 1 16  ? -20.76493 12.00013  -3.93940  1.000 14.38735 ? 8   VAL A HG12 1 
ATOM   211  H  HG13 . VAL A 1 16  ? -21.18452 11.89151  -2.41111  1.000 14.38735 ? 8   VAL A HG13 1 
ATOM   212  H  HG21 . VAL A 1 16  ? -18.25790 12.46062  -1.58306  1.000 14.17869 ? 8   VAL A HG21 1 
ATOM   213  H  HG22 . VAL A 1 16  ? -19.14142 11.43573  -0.75089  1.000 14.17869 ? 8   VAL A HG22 1 
ATOM   214  H  HG23 . VAL A 1 16  ? -17.78149 10.95442  -1.41603  1.000 14.17869 ? 8   VAL A HG23 1 
ATOM   215  N  N    . THR A 1 17  ? -21.57303 8.55163   -3.87875  1.000 11.93867 ? 9   THR A N    1 
ATOM   216  C  CA   . THR A 1 17  ? -22.27238 7.97284   -5.01761  1.000 12.38162 ? 9   THR A CA   1 
ATOM   217  C  C    . THR A 1 17  ? -23.53248 8.75983   -5.26607  1.000 13.38314 ? 9   THR A C    1 
ATOM   218  O  O    . THR A 1 17  ? -24.00602 9.48988   -4.38663  1.000 14.19223 ? 9   THR A O    1 
ATOM   219  C  CB   . THR A 1 17  ? -22.63031 6.49533   -4.81146  1.000 12.73515 ? 9   THR A CB   1 
ATOM   220  O  OG1  . THR A 1 17  ? -23.86102 6.34749   -4.05506  1.000 13.86914 ? 9   THR A OG1  1 
ATOM   221  C  CG2  . THR A 1 17  ? -21.51938 5.70917   -4.21548  1.000 13.38646 ? 9   THR A CG2  1 
ATOM   222  H  H    . THR A 1 17  ? -21.93497 8.35953   -3.12264  1.000 14.32640 ? 9   THR A H    1 
ATOM   223  H  HA   . THR A 1 17  ? -21.68916 8.00143   -5.79217  1.000 14.85794 ? 9   THR A HA   1 
ATOM   224  H  HB   . THR A 1 17  ? -22.78204 6.10803   -5.68774  1.000 15.28218 ? 9   THR A HB   1 
ATOM   225  H  HG1  . THR A 1 17  ? -23.78746 6.72751   -3.30956  1.000 16.64297 ? 9   THR A HG1  1 
ATOM   226  H  HG21 . THR A 1 17  ? -21.76365 4.77154   -4.16993  1.000 16.06375 ? 9   THR A HG21 1 
ATOM   227  H  HG22 . THR A 1 17  ? -20.72029 5.80031   -4.75774  1.000 16.06375 ? 9   THR A HG22 1 
ATOM   228  H  HG23 . THR A 1 17  ? -21.32999 6.02902   -3.31952  1.000 16.06375 ? 9   THR A HG23 1 
ATOM   229  N  N    . PRO A 1 18  ? -24.16120 8.60305   -6.43128  1.000 14.05220 ? 10  PRO A N    1 
ATOM   230  C  CA   . PRO A 1 18  ? -25.42955 9.28660   -6.68705  1.000 16.29293 ? 10  PRO A CA   1 
ATOM   231  C  C    . PRO A 1 18  ? -26.50214 8.97877   -5.66890  1.000 16.82762 ? 10  PRO A C    1 
ATOM   232  O  O    . PRO A 1 18  ? -27.36568 9.84572   -5.46663  1.000 20.36572 ? 10  PRO A O    1 
ATOM   233  C  CB   . PRO A 1 18  ? -25.79498 8.86433   -8.11792  1.000 17.29161 ? 10  PRO A CB   1 
ATOM   234  C  CG   . PRO A 1 18  ? -24.41139 8.59753   -8.76214  1.000 16.23181 ? 10  PRO A CG   1 
ATOM   235  C  CD   . PRO A 1 18  ? -23.65186 7.94518   -7.66883  1.000 14.82689 ? 10  PRO A CD   1 
ATOM   236  H  HA   . PRO A 1 18  ? -25.29215 10.24678  -6.69595  1.000 19.55151 ? 10  PRO A HA   1 
ATOM   237  H  HB2  . PRO A 1 18  ? -26.34127 8.06289   -8.10562  1.000 20.74993 ? 10  PRO A HB2  1 
ATOM   238  H  HB3  . PRO A 1 18  ? -26.26612 9.58004   -8.57255  1.000 20.74993 ? 10  PRO A HB3  1 
ATOM   239  H  HG2  . PRO A 1 18  ? -24.50274 8.01009   -9.52860  1.000 19.47817 ? 10  PRO A HG2  1 
ATOM   240  H  HG3  . PRO A 1 18  ? -23.99701 9.43221   -9.03139  1.000 19.47817 ? 10  PRO A HG3  1 
ATOM   241  H  HD2  . PRO A 1 18  ? -23.83141 6.99216   -7.64858  1.000 17.79227 ? 10  PRO A HD2  1 
ATOM   242  H  HD3  . PRO A 1 18  ? -22.70016 8.10135   -7.77263  1.000 17.79227 ? 10  PRO A HD3  1 
ATOM   243  N  N    . THR A 1 19  ? -26.49323 7.81585   -5.02003  1.000 15.64184 ? 11  THR A N    1 
ATOM   244  C  CA   . THR A 1 19  ? -27.54602 7.43875   -4.07589  1.000 15.81652 ? 11  THR A CA   1 
ATOM   245  C  C    . THR A 1 19  ? -27.08817 7.54891   -2.64011  1.000 15.36709 ? 11  THR A C    1 
ATOM   246  O  O    . THR A 1 19  ? -27.79969 7.08247   -1.73540  1.000 17.85614 ? 11  THR A O    1 
ATOM   247  C  CB   . THR A 1 19  ? -28.03782 6.01440   -4.33445  1.000 17.52051 ? 11  THR A CB   1 
ATOM   248  O  OG1  . THR A 1 19  ? -26.93077 5.11538   -4.28601  1.000 17.85290 ? 11  THR A OG1  1 
ATOM   249  C  CG2  . THR A 1 19  ? -28.72521 5.93467   -5.72000  1.000 18.67548 ? 11  THR A CG2  1 
ATOM   250  H  H    . THR A 1 19  ? -25.87990 7.21983   -5.11057  1.000 18.77021 ? 11  THR A H    1 
ATOM   251  H  HA   . THR A 1 19  ? -28.29471 8.03932   -4.21614  1.000 18.97982 ? 11  THR A HA   1 
ATOM   252  H  HB   . THR A 1 19  ? -28.68450 5.75544   -3.65944  1.000 21.02461 ? 11  THR A HB   1 
ATOM   253  H  HG1  . THR A 1 19  ? -27.18879 4.33286   -4.44938  1.000 21.42349 ? 11  THR A HG1  1 
ATOM   254  H  HG21 . THR A 1 19  ? -29.02958 5.02906   -5.88772  1.000 22.41058 ? 11  THR A HG21 1 
ATOM   255  H  HG22 . THR A 1 19  ? -29.48805 6.53321   -5.74683  1.000 22.41058 ? 11  THR A HG22 1 
ATOM   256  H  HG23 . THR A 1 19  ? -28.09973 6.19050   -6.41586  1.000 22.41058 ? 11  THR A HG23 1 
ATOM   257  N  N    . GLY A 1 20  ? -25.95759 8.20463   -2.39135  1.000 13.27393 ? 12  GLY A N    1 
ATOM   258  C  CA   . GLY A 1 20  ? -25.50819 8.45115   -1.04550  1.000 13.11724 ? 12  GLY A CA   1 
ATOM   259  C  C    . GLY A 1 20  ? -24.04052 8.12786   -0.83676  1.000 12.35101 ? 12  GLY A C    1 
ATOM   260  O  O    . GLY A 1 20  ? -23.36576 7.47505   -1.63053  1.000 13.17296 ? 12  GLY A O    1 
ATOM   261  H  H    . GLY A 1 20  ? -25.43495 8.51595   -2.99924  1.000 15.92872 ? 12  GLY A H    1 
ATOM   262  H  HA2  . GLY A 1 20  ? -25.64470 9.38724   -0.83103  1.000 15.74068 ? 12  GLY A HA2  1 
ATOM   263  H  HA3  . GLY A 1 20  ? -26.02732 7.90770   -0.43226  1.000 15.74068 ? 12  GLY A HA3  1 
ATOM   264  N  N    . ASN A 1 21  ? -23.54791 8.59281   0.29295   1.000 11.58728 ? 13  ASN A N    1 
ATOM   265  C  CA   . ASN A 1 21  ? -22.23051 8.22422   0.75894   1.000 10.82212 ? 13  ASN A CA   1 
ATOM   266  C  C    . ASN A 1 21  ? -22.26020 6.81821   1.31490   1.000 11.94292 ? 13  ASN A C    1 
ATOM   267  O  O    . ASN A 1 21  ? -23.20486 6.42712   2.01864   1.000 13.73589 ? 13  ASN A O    1 
ATOM   268  C  CB   . ASN A 1 21  ? -21.79373 9.16155   1.88080   1.000 10.88980 ? 13  ASN A CB   1 
ATOM   269  C  CG   . ASN A 1 21  ? -21.58961 10.58656  1.43742   1.000 10.66097 ? 13  ASN A CG   1 
ATOM   270  O  OD1  . ASN A 1 21  ? -21.44551 10.87602  0.25408   1.000 11.13402 ? 13  ASN A OD1  1 
ATOM   271  N  ND2  . ASN A 1 21  ? -21.62050 11.50364  2.41249   1.000 12.37993 ? 13  ASN A ND2  1 
ATOM   272  H  H    . ASN A 1 21  ? -23.96428 9.13282   0.81701   1.000 13.90473 ? 13  ASN A H    1 
ATOM   273  H  HA   . ASN A 1 21  ? -21.60062 8.27825   0.02327   1.000 12.98654 ? 13  ASN A HA   1 
ATOM   274  H  HB2  . ASN A 1 21  ? -22.47557 9.16153   2.57072   1.000 13.06776 ? 13  ASN A HB2  1 
ATOM   275  H  HB3  . ASN A 1 21  ? -20.95332 8.84212   2.24492   1.000 13.06776 ? 13  ASN A HB3  1 
ATOM   276  H  HD21 . ASN A 1 21  ? -21.51041 12.33549  2.22406   1.000 14.85591 ? 13  ASN A HD21 1 
ATOM   277  H  HD22 . ASN A 1 21  ? -21.75043 11.26083  3.22721   1.000 14.85591 ? 13  ASN A HD22 1 
ATOM   278  N  N    . VAL A 1 22  ? -21.19952 6.05716   1.03347   1.000 12.14930 ? 14  VAL A N    1 
ATOM   279  C  CA   . VAL A 1 22  ? -21.02206 4.73995   1.60544   1.000 12.86088 ? 14  VAL A CA   1 
ATOM   280  C  C    . VAL A 1 22  ? -19.56085 4.60009   1.98719   1.000 13.03945 ? 14  VAL A C    1 
ATOM   281  O  O    . VAL A 1 22  ? -18.67976 5.14974   1.33232   1.000 15.33037 ? 14  VAL A O    1 
ATOM   282  C  CB   . VAL A 1 22  ? -21.47249 3.62396   0.62865   1.000 14.48245 ? 14  VAL A CB   1 
ATOM   283  C  CG1  . VAL A 1 22  ? -22.91550 3.65695   0.32906   1.000 17.09548 ? 14  VAL A CG1  1 
ATOM   284  C  CG2  . VAL A 1 22  ? -20.75142 3.64652   -0.66377  1.000 15.76322 ? 14  VAL A CG2  1 
ATOM   285  H  H    . VAL A 1 22  ? -20.56422 6.29412   0.50447   1.000 14.57916 ? 14  VAL A H    1 
ATOM   286  H  HA   . VAL A 1 22  ? -21.55511 4.64552   2.41033   1.000 15.43306 ? 14  VAL A HA   1 
ATOM   287  H  HB   . VAL A 1 22  ? -21.25873 2.80534   1.10305   1.000 17.37894 ? 14  VAL A HB   1 
ATOM   288  H  HG11 . VAL A 1 22  ? -23.12520 2.94320   -0.29342  1.000 20.51458 ? 14  VAL A HG11 1 
ATOM   289  H  HG12 . VAL A 1 22  ? -23.41203 3.53364   1.15316   1.000 20.51458 ? 14  VAL A HG12 1 
ATOM   290  H  HG13 . VAL A 1 22  ? -23.13666 4.51522   -0.06511  1.000 20.51458 ? 14  VAL A HG13 1 
ATOM   291  H  HG21 . VAL A 1 22  ? -21.07026 2.91564   -1.21609  1.000 18.91586 ? 14  VAL A HG21 1 
ATOM   292  H  HG22 . VAL A 1 22  ? -20.92121 4.49331   -1.10538  1.000 18.91586 ? 14  VAL A HG22 1 
ATOM   293  H  HG23 . VAL A 1 22  ? -19.80125 3.54506   -0.49708  1.000 18.91586 ? 14  VAL A HG23 1 
ATOM   294  N  N    . GLU A 1 23  ? -19.27835 3.84325   3.03316   1.000 13.64025 ? 15  GLU A N    1 
ATOM   295  C  CA   . GLU A 1 23  ? -17.90680 3.66048   3.51072   1.000 14.10829 ? 15  GLU A CA   1 
ATOM   296  C  C    . GLU A 1 23  ? -17.60881 2.18795   3.74740   1.000 14.24594 ? 15  GLU A C    1 
ATOM   297  O  O    . GLU A 1 23  ? -18.48611 1.42757   4.15968   1.000 15.75497 ? 15  GLU A O    1 
ATOM   298  C  CB   . GLU A 1 23  ? -17.66274 4.40578   4.82929   1.000 18.43319 ? 15  GLU A CB   1 
ATOM   299  C  CG   . GLU A 1 23  ? -17.73329 5.89532   4.77677   1.000 25.54211 ? 15  GLU A CG   1 
ATOM   300  C  CD   . GLU A 1 23  ? -17.30524 6.57555   6.08350   1.000 34.24436 ? 15  GLU A CD   1 
ATOM   301  O  OE1  . GLU A 1 23  ? -17.07454 7.80666   6.01443   1.000 35.13966 ? 15  GLU A OE1  1 
ATOM   302  O  OE2  . GLU A 1 23  ? -17.21352 5.90171   7.15867   1.000 37.29685 ? 15  GLU A OE2  1 
ATOM   303  H  H    . GLU A 1 23  ? -19.86721 3.41721   3.49287   1.000 16.36830 ? 15  GLU A H    1 
ATOM   304  H  HA   . GLU A 1 23  ? -17.30583 3.99527   2.82687   1.000 16.92994 ? 15  GLU A HA   1 
ATOM   305  H  HB2  . GLU A 1 23  ? -18.33029 4.11214   5.46887   1.000 22.11983 ? 15  GLU A HB2  1 
ATOM   306  H  HB3  . GLU A 1 23  ? -16.77554 4.17439   5.14590   1.000 22.11983 ? 15  GLU A HB3  1 
ATOM   307  H  HG2  . GLU A 1 23  ? -17.14704 6.21184   4.07177   1.000 30.65053 ? 15  GLU A HG2  1 
ATOM   308  H  HG3  . GLU A 1 23  ? -18.64807 6.15905   4.59095   1.000 30.65053 ? 15  GLU A HG3  1 
ATOM   309  N  N    . PHE A 1 24  ? -16.36444 1.79315   3.51776   1.000 12.81840 ? 16  PHE A N    1 
ATOM   310  C  CA   . PHE A 1 24  ? -15.92684 0.42281   3.79353   1.000 13.22937 ? 16  PHE A CA   1 
ATOM   311  C  C    . PHE A 1 24  ? -14.41510 0.40935   3.90638   1.000 12.16612 ? 16  PHE A C    1 
ATOM   312  O  O    . PHE A 1 24  ? -13.74039 1.32133   3.43292   1.000 12.68813 ? 16  PHE A O    1 
ATOM   313  C  CB   . PHE A 1 24  ? -16.41227 -0.55344  2.69345   1.000 13.95426 ? 16  PHE A CB   1 
ATOM   314  C  CG   . PHE A 1 24  ? -15.99118 -0.16248  1.30528   1.000 14.36452 ? 16  PHE A CG   1 
ATOM   315  C  CD1  . PHE A 1 24  ? -16.77531 0.70992   0.57939   1.000 15.87380 ? 16  PHE A CD1  1 
ATOM   316  C  CD2  . PHE A 1 24  ? -14.82154 -0.59378  0.73471   1.000 15.41175 ? 16  PHE A CD2  1 
ATOM   317  C  CE1  . PHE A 1 24  ? -16.39398 1.13655   -0.67737  1.000 16.53919 ? 16  PHE A CE1  1 
ATOM   318  C  CE2  . PHE A 1 24  ? -14.45172 -0.14561  -0.54060  1.000 16.30010 ? 16  PHE A CE2  1 
ATOM   319  C  CZ   . PHE A 1 24  ? -15.23128 0.70713   -1.21407  1.000 16.99358 ? 16  PHE A CZ   1 
ATOM   320  H  H    . PHE A 1 24  ? -15.74631 2.29978   3.20023   1.000 15.38207 ? 16  PHE A H    1 
ATOM   321  H  HA   . PHE A 1 24  ? -16.29215 0.12744   4.64217   1.000 15.87525 ? 16  PHE A HA   1 
ATOM   322  H  HB2  . PHE A 1 24  ? -16.04851 -1.43398  2.87577   1.000 16.74511 ? 16  PHE A HB2  1 
ATOM   323  H  HB3  . PHE A 1 24  ? -17.38161 -0.58489  2.71052   1.000 16.74511 ? 16  PHE A HB3  1 
ATOM   324  H  HD1  . PHE A 1 24  ? -17.57476 1.01611   0.94276   1.000 19.04857 ? 16  PHE A HD1  1 
ATOM   325  H  HD2  . PHE A 1 24  ? -14.27175 -1.18568  1.19546   1.000 18.49409 ? 16  PHE A HD2  1 
ATOM   326  H  HE1  . PHE A 1 24  ? -16.93835 1.72020   -1.15477  1.000 19.84703 ? 16  PHE A HE1  1 
ATOM   327  H  HE2  . PHE A 1 24  ? -13.65752 -0.44371  -0.92176  1.000 19.56012 ? 16  PHE A HE2  1 
ATOM   328  H  HZ   . PHE A 1 24  ? -14.97168 1.00580   -2.05568  1.000 20.39230 ? 16  PHE A HZ   1 
ATOM   329  N  N    . GLN A 1 25  ? -13.87845 -0.64428  4.51169   1.000 12.54676 ? 17  GLN A N    1 
ATOM   330  C  CA   . GLN A 1 25  ? -12.44446 -0.87594  4.53939   1.000 12.38118 ? 17  GLN A CA   1 
ATOM   331  C  C    . GLN A 1 25  ? -12.02195 -1.61392  3.26885   1.000 13.01076 ? 17  GLN A C    1 
ATOM   332  O  O    . GLN A 1 25  ? -12.62460 -2.62712  2.88373   1.000 15.84133 ? 17  GLN A O    1 
ATOM   333  C  CB   . GLN A 1 25  ? -12.06736 -1.69407  5.77634   1.000 13.37063 ? 17  GLN A CB   1 
ATOM   334  C  CG   . GLN A 1 25  ? -12.34349 -0.96215  7.09684   1.000 14.42094 ? 17  GLN A CG   1 
ATOM   335  C  CD   . GLN A 1 25  ? -11.61512 0.36704   7.24371   1.000 14.39463 ? 17  GLN A CD   1 
ATOM   336  O  OE1  . GLN A 1 25  ? -12.22644 1.45017   7.21975   1.000 16.06054 ? 17  GLN A OE1  1 
ATOM   337  N  NE2  . GLN A 1 25  ? -10.32588 0.31840   7.30459   1.000 15.00897 ? 17  GLN A NE2  1 
ATOM   338  H  H    . GLN A 1 25  ? -14.33426 -1.24854  4.91998   1.000 15.05611 ? 17  GLN A H    1 
ATOM   339  H  HA   . GLN A 1 25  ? -11.97315 -0.02884  4.57388   1.000 14.85742 ? 17  GLN A HA   1 
ATOM   340  H  HB2  . GLN A 1 25  ? -12.58282 -2.51577  5.77773   1.000 16.04476 ? 17  GLN A HB2  1 
ATOM   341  H  HB3  . GLN A 1 25  ? -11.11951 -1.89709  5.74081   1.000 16.04476 ? 17  GLN A HB3  1 
ATOM   342  H  HG2  . GLN A 1 25  ? -13.29484 -0.78323  7.15873   1.000 17.30513 ? 17  GLN A HG2  1 
ATOM   343  H  HG3  . GLN A 1 25  ? -12.06458 -1.53166  7.83084   1.000 17.30513 ? 17  GLN A HG3  1 
ATOM   344  H  HE21 . GLN A 1 25  ? -9.92168  -0.43951  7.26210   1.000 18.01077 ? 17  GLN A HE21 1 
ATOM   345  H  HE22 . GLN A 1 25  ? -9.87165  1.04392   7.38761   1.000 18.01077 ? 17  GLN A HE22 1 
ATOM   346  N  N    . CYS A 1 26  ? -10.94584 -1.14144  2.67023   1.000 12.62676 ? 18  CYS A N    1 
ATOM   347  C  CA   . CYS A 1 26  ? -10.40661 -1.74060  1.45761   1.000 12.48057 ? 18  CYS A CA   1 
ATOM   348  C  C    . CYS A 1 26  ? -9.00585  -2.21585  1.73390   1.000 12.94849 ? 18  CYS A C    1 
ATOM   349  O  O    . CYS A 1 26  ? -8.14036  -1.39761  2.08255   1.000 12.86850 ? 18  CYS A O    1 
ATOM   350  C  CB   . CYS A 1 26  ? -10.39195 -0.70731  0.32742   1.000 12.50919 ? 18  CYS A CB   1 
ATOM   351  S  SG   . CYS A 1 26  ? -9.81179  -1.36737  -1.27240  1.000 12.89956 ? 18  CYS A SG   1 
ATOM   352  H  H    . CYS A 1 26  ? -10.49923 -0.46175  2.94979   1.000 15.15211 ? 18  CYS A H    1 
ATOM   353  H  HA   . CYS A 1 26  ? -10.95010 -2.49855  1.19109   1.000 14.97668 ? 18  CYS A HA   1 
ATOM   354  H  HB2  . CYS A 1 26  ? -11.29365 -0.37334  0.19970   1.000 15.01103 ? 18  CYS A HB2  1 
ATOM   355  H  HB3  . CYS A 1 26  ? -9.80129  0.01995   0.57862   1.000 15.01103 ? 18  CYS A HB3  1 
ATOM   356  H  HG   . CYS A 1 26  ? -8.66264  -1.69613  -1.16577  1.000 15.47947 ? 18  CYS A HG   1 
ATOM   357  N  N    . PRO A 1 27  ? -8.71041  -3.50058  1.57418   1.000 13.94325 ? 19  PRO A N    1 
ATOM   358  C  CA   . PRO A 1 27  ? -7.32462  -3.94052  1.70131   1.000 14.86506 ? 19  PRO A CA   1 
ATOM   359  C  C    . PRO A 1 27  ? -6.41981  -3.16481  0.76480   1.000 14.38689 ? 19  PRO A C    1 
ATOM   360  O  O    . PRO A 1 27  ? -6.78903  -2.79473  -0.34708  1.000 14.26611 ? 19  PRO A O    1 
ATOM   361  C  CB   . PRO A 1 27  ? -7.38028  -5.42013  1.31066   1.000 16.38635 ? 19  PRO A CB   1 
ATOM   362  C  CG   . PRO A 1 27  ? -8.80637  -5.83384  1.62622   1.000 16.85090 ? 19  PRO A CG   1 
ATOM   363  C  CD   . PRO A 1 27  ? -9.61819  -4.63142  1.27465   1.000 15.20425 ? 19  PRO A CD   1 
ATOM   364  H  HA   . PRO A 1 27  ? -7.01574  -3.85215  2.61657   1.000 17.83808 ? 19  PRO A HA   1 
ATOM   365  H  HB2  . PRO A 1 27  ? -7.18666  -5.52319  0.36579   1.000 19.66362 ? 19  PRO A HB2  1 
ATOM   366  H  HB3  . PRO A 1 27  ? -6.74355  -5.92834  1.83716   1.000 19.66362 ? 19  PRO A HB3  1 
ATOM   367  H  HG2  . PRO A 1 27  ? -9.06037  -6.59815  1.08565   1.000 20.22109 ? 19  PRO A HG2  1 
ATOM   368  H  HG3  . PRO A 1 27  ? -8.89124  -6.05059  2.56787   1.000 20.22109 ? 19  PRO A HG3  1 
ATOM   369  H  HD2  . PRO A 1 27  ? -9.85809  -4.64073  0.33484   1.000 18.24510 ? 19  PRO A HD2  1 
ATOM   370  H  HD3  . PRO A 1 27  ? -10.41841 -4.58454  1.82087   1.000 18.24510 ? 19  PRO A HD3  1 
ATOM   371  N  N    . ASP A 1 28  ? -5.15946  -3.00619  1.17167   1.000 14.86235 ? 20  ASP A N    1 
ATOM   372  C  CA   . ASP A 1 28  ? -4.20170  -2.24880  0.37153   1.000 15.43546 ? 20  ASP A CA   1 
ATOM   373  C  C    . ASP A 1 28  ? -3.78370  -2.98482  -0.89798  1.000 14.73571 ? 20  ASP A C    1 
ATOM   374  O  O    . ASP A 1 28  ? -3.13845  -2.35400  -1.75462  1.000 15.95966 ? 20  ASP A O    1 
ATOM   375  C  CB   . ASP A 1 28  ? -3.02517  -1.79279  1.23670   1.000 16.95188 ? 20  ASP A CB   1 
ATOM   376  C  CG   . ASP A 1 28  ? -2.08371  -2.86798  1.61115   1.000 19.95382 ? 20  ASP A CG   1 
ATOM   377  O  OD1  . ASP A 1 28  ? -2.30944  -4.07045  1.28802   1.000 20.29440 ? 20  ASP A OD1  1 
ATOM   378  O  OD2  . ASP A 1 28  ? -1.17591  -2.51317  2.40553   1.000 23.35342 ? 20  ASP A OD2  1 
ATOM   379  H  H    . ASP A 1 28  ? -4.83819  -3.32584  1.90257   1.000 17.83482 ? 20  ASP A H    1 
ATOM   380  H  HA   . ASP A 1 28  ? -4.60742  -1.42349  0.06308   1.000 18.52255 ? 20  ASP A HA   1 
ATOM   381  H  HB2  . ASP A 1 28  ? -2.52321  -1.12252  0.74713   1.000 20.34225 ? 20  ASP A HB2  1 
ATOM   382  H  HB3  . ASP A 1 28  ? -3.37464  -1.41173  2.05741   1.000 20.34225 ? 20  ASP A HB3  1 
ATOM   383  N  N    . ASP A 1 29  ? -4.23281  -4.23265  -1.06556  1.000 14.92261 ? 21  ASP A N    1 
ATOM   384  C  CA   . ASP A 1 29  ? -3.97877  -5.02311  -2.26314  1.000 15.23706 ? 21  ASP A CA   1 
ATOM   385  C  C    . ASP A 1 29  ? -5.24559  -5.46105  -2.97700  1.000 14.51117 ? 21  ASP A C    1 
ATOM   386  O  O    . ASP A 1 29  ? -5.20570  -6.42471  -3.75025  1.000 15.94610 ? 21  ASP A O    1 
ATOM   387  C  CB   . ASP A 1 29  ? -3.08610  -6.22053  -1.91244  1.000 17.42173 ? 21  ASP A CB   1 
ATOM   388  C  CG   . ASP A 1 29  ? -3.72377  -7.18122  -0.95758  1.000 19.40015 ? 21  ASP A CG   1 
ATOM   389  O  OD1  . ASP A 1 29  ? -4.81858  -6.90962  -0.43592  1.000 19.07474 ? 21  ASP A OD1  1 
ATOM   390  O  OD2  . ASP A 1 29  ? -3.08004  -8.22055  -0.67883  1.000 22.99196 ? 21  ASP A OD2  1 
ATOM   391  H  H    . ASP A 1 29  ? -4.70111  -4.65193  -0.47862  1.000 17.90713 ? 21  ASP A H    1 
ATOM   392  H  HA   . ASP A 1 29  ? -3.50285  -4.46931  -2.90167  1.000 18.28447 ? 21  ASP A HA   1 
ATOM   393  H  HB2  . ASP A 1 29  ? -2.87815  -6.70524  -2.72651  1.000 20.90607 ? 21  ASP A HB2  1 
ATOM   394  H  HB3  . ASP A 1 29  ? -2.26969  -5.89339  -1.50336  1.000 20.90607 ? 21  ASP A HB3  1 
ATOM   395  N  N    . VAL A 1 30  ? -6.33916  -4.73125  -2.78368  1.000 13.97229 ? 22  VAL A N    1 
ATOM   396  C  CA   . VAL A 1 30  ? -7.59734  -4.95804  -3.49946  1.000 13.97776 ? 22  VAL A CA   1 
ATOM   397  C  C    . VAL A 1 30  ? -7.98876  -3.63028  -4.14018  1.000 12.72763 ? 22  VAL A C    1 
ATOM   398  O  O    . VAL A 1 30  ? -7.90494  -2.56484  -3.51983  1.000 13.06368 ? 22  VAL A O    1 
ATOM   399  C  CB   . VAL A 1 30  ? -8.68769  -5.46912  -2.53705  1.000 15.53355 ? 22  VAL A CB   1 
ATOM   400  C  CG1  . VAL A 1 30  ? -10.04850 -5.52262  -3.20058  1.000 16.68256 ? 22  VAL A CG1  1 
ATOM   401  C  CG2  . VAL A 1 30  ? -8.27784  -6.84024  -2.00897  1.000 16.12579 ? 22  VAL A CG2  1 
ATOM   402  H  H    . VAL A 1 30  ? -6.38127  -4.07783  -2.22612  1.000 16.76675 ? 22  VAL A H    1 
ATOM   403  H  HA   . VAL A 1 30  ? -7.49048  -5.61893  -4.20139  1.000 16.77331 ? 22  VAL A HA   1 
ATOM   404  H  HB   . VAL A 1 30  ? -8.77276  -4.85051  -1.79477  1.000 18.64026 ? 22  VAL A HB   1 
ATOM   405  H  HG11 . VAL A 1 30  ? -10.65652 -6.02312  -2.63427  1.000 20.01908 ? 22  VAL A HG11 1 
ATOM   406  H  HG12 . VAL A 1 30  ? -10.37718 -4.61791  -3.32045  1.000 20.01908 ? 22  VAL A HG12 1 
ATOM   407  H  HG13 . VAL A 1 30  ? -9.96284  -5.96028  -4.06198  1.000 20.01908 ? 22  VAL A HG13 1 
ATOM   408  H  HG21 . VAL A 1 30  ? -8.95216  -7.15313  -1.38583  1.000 19.35095 ? 22  VAL A HG21 1 
ATOM   409  H  HG22 . VAL A 1 30  ? -8.20467  -7.45675  -2.75426  1.000 19.35095 ? 22  VAL A HG22 1 
ATOM   410  H  HG23 . VAL A 1 30  ? -7.42215  -6.76242  -1.55882  1.000 19.35095 ? 22  VAL A HG23 1 
ATOM   411  N  N    . TYR A 1 31  ? -8.40257  -3.69569  -5.40310  1.000 12.36297 ? 23  TYR A N    1 
ATOM   412  C  CA   . TYR A 1 31  ? -8.82166  -2.48695  -6.09378  1.000 11.82498 ? 23  TYR A CA   1 
ATOM   413  C  C    . TYR A 1 31  ? -10.10259 -1.93644  -5.47199  1.000 11.49763 ? 23  TYR A C    1 
ATOM   414  O  O    . TYR A 1 31  ? -10.97132 -2.66767  -4.98333  1.000 12.63630 ? 23  TYR A O    1 
ATOM   415  C  CB   . TYR A 1 31  ? -9.10547  -2.79697  -7.56673  1.000 12.13620 ? 23  TYR A CB   1 
ATOM   416  C  CG   . TYR A 1 31  ? -7.93823  -3.24132  -8.38545  1.000 12.20596 ? 23  TYR A CG   1 
ATOM   417  C  CD1  . TYR A 1 31  ? -6.81520  -2.48173  -8.46344  1.000 12.19558 ? 23  TYR A CD1  1 
ATOM   418  C  CD2  . TYR A 1 31  ? -7.99944  -4.37674  -9.17019  1.000 13.97420 ? 23  TYR A CD2  1 
ATOM   419  C  CE1  . TYR A 1 31  ? -5.74664  -2.82696  -9.31914  1.000 13.00190 ? 23  TYR A CE1  1 
ATOM   420  C  CE2  . TYR A 1 31  ? -6.97548  -4.72947  -10.01610 1.000 14.60043 ? 23  TYR A CE2  1 
ATOM   421  C  CZ   . TYR A 1 31  ? -5.85306  -3.96606  -10.09964 1.000 13.97635 ? 23  TYR A CZ   1 
ATOM   422  O  OH   . TYR A 1 31  ? -4.84323  -4.36744  -10.92302 1.000 16.03445 ? 23  TYR A OH   1 
ATOM   423  H  H    . TYR A 1 31  ? -8.44824  -4.41558  -5.87137  1.000 14.83556 ? 23  TYR A H    1 
ATOM   424  H  HA   . TYR A 1 31  ? -8.11754  -1.82283  -6.02997  1.000 14.18998 ? 23  TYR A HA   1 
ATOM   425  H  HB2  . TYR A 1 31  ? -9.76662  -3.50575  -7.60428  1.000 14.56344 ? 23  TYR A HB2  1 
ATOM   426  H  HB3  . TYR A 1 31  ? -9.45620  -1.99376  -7.98234  1.000 14.56344 ? 23  TYR A HB3  1 
ATOM   427  H  HD1  . TYR A 1 31  ? -6.74841  -1.71559  -7.94050  1.000 14.63470 ? 23  TYR A HD1  1 
ATOM   428  H  HD2  . TYR A 1 31  ? -8.75473  -4.91745  -9.12470  1.000 16.76904 ? 23  TYR A HD2  1 
ATOM   429  H  HE1  . TYR A 1 31  ? -4.98301  -2.29757  -9.35810  1.000 15.60228 ? 23  TYR A HE1  1 
ATOM   430  H  HE2  . TYR A 1 31  ? -7.05071  -5.49692  -10.53597 1.000 17.52052 ? 23  TYR A HE2  1 
ATOM   431  H  HH   . TYR A 1 31  ? -4.19941  -3.83042  -10.87092 1.000 19.24134 ? 23  TYR A HH   1 
ATOM   432  N  N    . ILE A 1 32  ? -10.24640 -0.61123  -5.55173  1.000 11.00515 ? 24  ILE A N    1 
ATOM   433  C  CA   . ILE A 1 32  ? -11.43997 0.06321   -5.02087  1.000 11.46143 ? 24  ILE A CA   1 
ATOM   434  C  C    . ILE A 1 32  ? -12.72853 -0.60330  -5.49936  1.000 11.44556 ? 24  ILE A C    1 
ATOM   435  O  O    . ILE A 1 32  ? -13.64161 -0.88584  -4.71359  1.000 12.21922 ? 24  ILE A O    1 
ATOM   436  C  CB   . ILE A 1 32  ? -11.42547 1.55832   -5.41531  1.000 11.33160 ? 24  ILE A CB   1 
ATOM   437  C  CG1  . ILE A 1 32  ? -10.22597 2.33371   -4.87360  1.000 12.31469 ? 24  ILE A CG1  1 
ATOM   438  C  CG2  . ILE A 1 32  ? -12.78143 2.22861   -5.04991  1.000 12.62918 ? 24  ILE A CG2  1 
ATOM   439  C  CD1  . ILE A 1 32  ? -10.22449 2.50108   -3.34818  1.000 13.19690 ? 24  ILE A CD1  1 
ATOM   440  H  H    . ILE A 1 32  ? -9.67152  -0.07896  -5.90642  1.000 13.20618 ? 24  ILE A H    1 
ATOM   441  H  HA   . ILE A 1 32  ? -11.41169 -0.01626  -4.05454  1.000 13.75372 ? 24  ILE A HA   1 
ATOM   442  H  HB   . ILE A 1 32  ? -11.31529 1.58759   -6.37858  1.000 13.59792 ? 24  ILE A HB   1 
ATOM   443  H  HG12 . ILE A 1 32  ? -9.41476  1.86183   -5.11889  1.000 14.77763 ? 24  ILE A HG12 1 
ATOM   444  H  HG13 . ILE A 1 32  ? -10.22595 3.22029   -5.26716  1.000 14.77763 ? 24  ILE A HG13 1 
ATOM   445  H  HG21 . ILE A 1 32  ? -12.67055 3.19218   -5.06117  1.000 15.15501 ? 24  ILE A HG21 1 
ATOM   446  H  HG22 . ILE A 1 32  ? -13.44979 1.96492   -5.70157  1.000 15.15501 ? 24  ILE A HG22 1 
ATOM   447  H  HG23 . ILE A 1 32  ? -13.04950 1.93682   -4.16453  1.000 15.15501 ? 24  ILE A HG23 1 
ATOM   448  H  HD11 . ILE A 1 32  ? -9.42719  2.98657   -3.08453  1.000 15.83628 ? 24  ILE A HD11 1 
ATOM   449  H  HD12 . ILE A 1 32  ? -11.01572 2.99615   -3.08404  1.000 15.83628 ? 24  ILE A HD12 1 
ATOM   450  H  HD13 . ILE A 1 32  ? -10.22965 1.62386   -2.93423  1.000 15.83628 ? 24  ILE A HD13 1 
ATOM   451  N  N    . LEU A 1 33  ? -12.84779 -0.82778  -6.82300  1.000 11.10065 ? 25  LEU A N    1 
ATOM   452  C  CA   . LEU A 1 33  ? -14.08608 -1.37668  -7.36848  1.000 12.01870 ? 25  LEU A CA   1 
ATOM   453  C  C    . LEU A 1 33  ? -14.38532 -2.73629  -6.77286  1.000 12.64983 ? 25  LEU A C    1 
ATOM   454  O  O    . LEU A 1 33  ? -15.53370 -3.03673  -6.42139  1.000 13.49028 ? 25  LEU A O    1 
ATOM   455  C  CB   . LEU A 1 33  ? -13.95128 -1.50930  -8.89520  1.000 12.31356 ? 25  LEU A CB   1 
ATOM   456  C  CG   . LEU A 1 33  ? -15.13146 -2.18848  -9.61767  1.000 12.74761 ? 25  LEU A CG   1 
ATOM   457  C  CD1  . LEU A 1 33  ? -16.39283 -1.43772  -9.43761  1.000 14.37743 ? 25  LEU A CD1  1 
ATOM   458  C  CD2  . LEU A 1 33  ? -14.75824 -2.38522  -11.07353 1.000 13.88843 ? 25  LEU A CD2  1 
ATOM   459  H  H    . LEU A 1 33  ? -12.23581 -0.67172  -7.40672  1.000 13.32078 ? 25  LEU A H    1 
ATOM   460  H  HA   . LEU A 1 33  ? -14.81704 -0.77490  -7.15762  1.000 14.42244 ? 25  LEU A HA   1 
ATOM   461  H  HB2  . LEU A 1 33  ? -13.85833 -0.61930  -9.26959  1.000 14.77627 ? 25  LEU A HB2  1 
ATOM   462  H  HB3  . LEU A 1 33  ? -13.15752 -2.03357  -9.08487  1.000 14.77627 ? 25  LEU A HB3  1 
ATOM   463  H  HG   . LEU A 1 33  ? -15.30808 -3.06025  -9.23074  1.000 15.29713 ? 25  LEU A HG   1 
ATOM   464  H  HD11 . LEU A 1 33  ? -17.09042 -1.86207  -9.96126  1.000 17.25292 ? 25  LEU A HD11 1 
ATOM   465  H  HD12 . LEU A 1 33  ? -16.63354 -1.44541  -8.49798  1.000 17.25292 ? 25  LEU A HD12 1 
ATOM   466  H  HD13 . LEU A 1 33  ? -16.26260 -0.52472  -9.73824  1.000 17.25292 ? 25  LEU A HD13 1 
ATOM   467  H  HD21 . LEU A 1 33  ? -15.49880 -2.80901  -11.53490 1.000 16.66611 ? 25  LEU A HD21 1 
ATOM   468  H  HD22 . LEU A 1 33  ? -14.57197 -1.52043  -11.47144 1.000 16.66611 ? 25  LEU A HD22 1 
ATOM   469  H  HD23 . LEU A 1 33  ? -13.97067 -2.94919  -11.12420 1.000 16.66611 ? 25  LEU A HD23 1 
ATOM   470  N  N    . ASP A 1 34  ? -13.37401 -3.59727  -6.69975  1.000 13.00991 ? 26  ASP A N    1 
ATOM   471  C  CA   A ASP A 1 34  ? -13.56344 -4.96309  -6.21520  0.497 14.49560 ? 26  ASP A CA   1 
ATOM   472  C  CA   B ASP A 1 34  ? -13.60967 -4.95214  -6.22395  0.503 14.25569 ? 26  ASP A CA   1 
ATOM   473  C  C    . ASP A 1 34  ? -14.04542 -4.94957  -4.77278  1.000 14.51751 ? 26  ASP A C    1 
ATOM   474  O  O    . ASP A 1 34  ? -14.93570 -5.71138  -4.38912  1.000 15.85384 ? 26  ASP A O    1 
ATOM   475  C  CB   A ASP A 1 34  ? -12.22784 -5.72725  -6.31170  0.497 15.58378 ? 26  ASP A CB   1 
ATOM   476  C  CB   B ASP A 1 34  ? -12.35724 -5.79663  -6.42969  0.503 15.12865 ? 26  ASP A CB   1 
ATOM   477  C  CG   A ASP A 1 34  ? -11.75164 -5.95960  -7.73353  0.497 17.65482 ? 26  ASP A CG   1 
ATOM   478  C  CG   B ASP A 1 34  ? -12.09473 -6.08918  -7.87292  0.503 17.05815 ? 26  ASP A CG   1 
ATOM   479  O  OD1  A ASP A 1 34  ? -12.26761 -5.31627  -8.67105  0.497 19.73754 ? 26  ASP A OD1  1 
ATOM   480  O  OD1  B ASP A 1 34  ? -13.06159 -6.36410  -8.60510  0.503 20.47339 ? 26  ASP A OD1  1 
ATOM   481  O  OD2  A ASP A 1 34  ? -10.78486 -6.74023  -7.89476  0.497 19.47182 ? 26  ASP A OD2  1 
ATOM   482  O  OD2  B ASP A 1 34  ? -10.91539 -6.09979  -8.25297  0.503 17.27780 ? 26  ASP A OD2  1 
ATOM   483  H  H    A ASP A 1 34  ? -12.56389 -3.41690  -6.92507  0.497 15.61189 ? 26  ASP A H    1 
ATOM   484  H  H    B ASP A 1 34  ? -12.55957 -3.42456  -6.91529  0.503 15.61189 ? 26  ASP A H    1 
ATOM   485  H  HA   A ASP A 1 34  ? -14.22347 -5.41540  -6.76355  0.497 17.39472 ? 26  ASP A HA   1 
ATOM   486  H  HA   B ASP A 1 34  ? -14.32299 -5.35741  -6.74147  0.503 17.10683 ? 26  ASP A HA   1 
ATOM   487  H  HB2  A ASP A 1 34  ? -11.54325 -5.21712  -5.85126  0.497 18.70053 ? 26  ASP A HB2  1 
ATOM   488  H  HB2  B ASP A 1 34  ? -11.59101 -5.31902  -6.07517  0.503 18.15438 ? 26  ASP A HB2  1 
ATOM   489  H  HB3  A ASP A 1 34  ? -12.33436 -6.59479  -5.89108  0.497 18.70053 ? 26  ASP A HB3  1 
ATOM   490  H  HB3  B ASP A 1 34  ? -12.46498 -6.64178  -5.96600  0.503 18.15438 ? 26  ASP A HB3  1 
ATOM   491  N  N    . ALA A 1 35  ? -13.43858 -4.10367  -3.95263  1.000 14.51340 ? 27  ALA A N    1 
ATOM   492  C  CA   . ALA A 1 35  ? -13.82792 -4.04855  -2.54592  1.000 15.36843 ? 27  ALA A CA   1 
ATOM   493  C  C    . ALA A 1 35  ? -15.22735 -3.49715  -2.39391  1.000 14.83246 ? 27  ALA A C    1 
ATOM   494  O  O    . ALA A 1 35  ? -16.00018 -3.97480  -1.55057  1.000 16.41013 ? 27  ALA A O    1 
ATOM   495  C  CB   . ALA A 1 35  ? -12.83529 -3.20353  -1.77648  1.000 16.26181 ? 27  ALA A CB   1 
ATOM   496  H  H    . ALA A 1 35  ? -12.81079 -3.56039  -4.17696  1.000 17.41609 ? 27  ALA A H    1 
ATOM   497  H  HA   . ALA A 1 35  ? -13.81543 -4.94443  -2.17423  1.000 18.44211 ? 27  ALA A HA   1 
ATOM   498  H  HB1  . ALA A 1 35  ? -13.10460 -3.16941  -0.84524  1.000 19.51417 ? 27  ALA A HB1  1 
ATOM   499  H  HB2  . ALA A 1 35  ? -11.95482 -3.60354  -1.85175  1.000 19.51417 ? 27  ALA A HB2  1 
ATOM   500  H  HB3  . ALA A 1 35  ? -12.82520 -2.30876  -2.15089  1.000 19.51417 ? 27  ALA A HB3  1 
ATOM   501  N  N    . ALA A 1 36  ? -15.58204 -2.49878  -3.19291  1.000 13.91662 ? 28  ALA A N    1 
ATOM   502  C  CA   . ALA A 1 36  ? -16.93530 -1.96796  -3.14172  1.000 13.93999 ? 28  ALA A CA   1 
ATOM   503  C  C    . ALA A 1 36  ? -17.94597 -3.04993  -3.49016  1.000 14.82234 ? 28  ALA A C    1 
ATOM   504  O  O    . ALA A 1 36  ? -18.98080 -3.19746  -2.82726  1.000 16.08083 ? 28  ALA A O    1 
ATOM   505  C  CB   . ALA A 1 36  ? -17.09005 -0.79654  -4.09327  1.000 13.79981 ? 28  ALA A CB   1 
ATOM   506  H  H    . ALA A 1 36  ? -15.06610 -2.11665  -3.76508  1.000 16.69994 ? 28  ALA A H    1 
ATOM   507  H  HA   . ALA A 1 36  ? -17.10621 -1.64623  -2.24273  1.000 16.72799 ? 28  ALA A HA   1 
ATOM   508  H  HB1  . ALA A 1 36  ? -18.00157 -0.46840  -4.04457  1.000 16.55977 ? 28  ALA A HB1  1 
ATOM   509  H  HB2  . ALA A 1 36  ? -16.47182 -0.09542  -3.83419  1.000 16.55977 ? 28  ALA A HB2  1 
ATOM   510  H  HB3  . ALA A 1 36  ? -16.89341 -1.09426  -4.99526  1.000 16.55977 ? 28  ALA A HB3  1 
ATOM   511  N  N    . GLU A 1 37  ? -17.65434 -3.84293  -4.51274  1.000 15.19753 ? 29  GLU A N    1 
ATOM   512  C  CA   . GLU A 1 37  ? -18.60071 -4.85157  -4.94688  1.000 16.65334 ? 29  GLU A CA   1 
ATOM   513  C  C    . GLU A 1 37  ? -18.76447 -5.92246  -3.90377  1.000 17.24728 ? 29  GLU A C    1 
ATOM   514  O  O    . GLU A 1 37  ? -19.85861 -6.45606  -3.71721  1.000 19.14061 ? 29  GLU A O    1 
ATOM   515  C  CB   . GLU A 1 37  ? -18.09374 -5.46406  -6.24681  1.000 16.82271 ? 29  GLU A CB   1 
ATOM   516  C  CG   . GLU A 1 37  ? -18.39121 -4.56184  -7.43819  1.000 17.28551 ? 29  GLU A CG   1 
ATOM   517  C  CD   . GLU A 1 37  ? -17.72830 -5.03660  -8.73034  1.000 19.42171 ? 29  GLU A CD   1 
ATOM   518  O  OE1  . GLU A 1 37  ? -18.12981 -4.58068  -9.85084  1.000 23.43117 ? 29  GLU A OE1  1 
ATOM   519  O  OE2  . GLU A 1 37  ? -16.79709 -5.85939  -8.51993  1.000 21.71967 ? 29  GLU A OE2  1 
ATOM   520  H  H    . GLU A 1 37  ? -16.92362 -3.81624  -4.96545  1.000 18.23704 ? 29  GLU A H    1 
ATOM   521  H  HA   . GLU A 1 37  ? -19.46764 -4.44383  -5.09881  1.000 19.98401 ? 29  GLU A HA   1 
ATOM   522  H  HB2  . GLU A 1 37  ? -17.13357 -5.58937  -6.18967  1.000 20.18725 ? 29  GLU A HB2  1 
ATOM   523  H  HB3  . GLU A 1 37  ? -18.53162 -6.31735  -6.39189  1.000 20.18725 ? 29  GLU A HB3  1 
ATOM   524  H  HG2  . GLU A 1 37  ? -19.34979 -4.54025  -7.58503  1.000 20.74261 ? 29  GLU A HG2  1 
ATOM   525  H  HG3  . GLU A 1 37  ? -18.06482 -3.66886  -7.24598  1.000 20.74261 ? 29  GLU A HG3  1 
ATOM   526  N  N    . GLU A 1 38  ? -17.66991 -6.28996  -3.23564  1.000 17.72087 ? 30  GLU A N    1 
ATOM   527  C  CA   . GLU A 1 38  ? -17.76888 -7.26912  -2.14817  1.000 20.89477 ? 30  GLU A CA   1 
ATOM   528  C  C    . GLU A 1 38  ? -18.67496 -6.78830  -1.02505  1.000 20.52417 ? 30  GLU A C    1 
ATOM   529  O  O    . GLU A 1 38  ? -19.25526 -7.61106  -0.31959  1.000 22.49887 ? 30  GLU A O    1 
ATOM   530  C  CB   . GLU A 1 38  ? -16.36858 -7.65609  -1.65712  1.000 25.46281 ? 30  GLU A CB   1 
ATOM   531  C  CG   . GLU A 1 38  ? -15.67925 -8.77160  -2.50566  1.000 34.31143 ? 30  GLU A CG   1 
ATOM   532  C  CD   . GLU A 1 38  ? -14.22204 -8.52086  -2.87855  1.000 43.56150 ? 30  GLU A CD   1 
ATOM   533  O  OE1  . GLU A 1 38  ? -13.88181 -8.59822  -4.08992  1.000 51.57013 ? 30  GLU A OE1  1 
ATOM   534  O  OE2  . GLU A 1 38  ? -13.39444 -8.31354  -1.95186  1.000 47.83682 ? 30  GLU A OE2  1 
ATOM   535  H  H    . GLU A 1 38  ? -16.87615 -5.99563  -3.38702  1.000 21.26505 ? 30  GLU A H    1 
ATOM   536  H  HA   . GLU A 1 38  ? -18.16803 -8.08850  -2.48011  1.000 25.07372 ? 30  GLU A HA   1 
ATOM   537  H  HB2  . GLU A 1 38  ? -15.80099 -6.87007  -1.68740  1.000 30.55537 ? 30  GLU A HB2  1 
ATOM   538  H  HB3  . GLU A 1 38  ? -16.43807 -7.98021  -0.74552  1.000 30.55537 ? 30  GLU A HB3  1 
ATOM   539  H  HG2  . GLU A 1 38  ? -15.70717 -9.59892  -2.00002  1.000 41.17371 ? 30  GLU A HG2  1 
ATOM   540  H  HG3  . GLU A 1 38  ? -16.17359 -8.87230  -3.33415  1.000 41.17371 ? 30  GLU A HG3  1 
ATOM   541  N  N    . GLU A 1 39  ? -18.81793 -5.48489  -0.84689  1.000 19.50777 ? 31  GLU A N    1 
ATOM   542  C  CA   . GLU A 1 39  ? -19.71923 -4.89846  0.14094   1.000 20.46542 ? 31  GLU A CA   1 
ATOM   543  C  C    . GLU A 1 39  ? -21.10862 -4.61714  -0.43009  1.000 21.25769 ? 31  GLU A C    1 
ATOM   544  O  O    . GLU A 1 39  ? -21.94016 -4.01704  0.26140   1.000 23.31119 ? 31  GLU A O    1 
ATOM   545  C  CB   . GLU A 1 39  ? -19.08471 -3.61753  0.69517   1.000 23.89090 ? 31  GLU A CB   1 
ATOM   546  C  CG   . GLU A 1 39  ? -17.74794 -3.87762  1.41251   1.000 29.37428 ? 31  GLU A CG   1 
ATOM   547  C  CD   . GLU A 1 39  ? -17.87875 -4.41212  2.83486   1.000 39.53537 ? 31  GLU A CD   1 
ATOM   548  O  OE1  . GLU A 1 39  ? -18.90271 -5.04494  3.16648   1.000 40.98774 ? 31  GLU A OE1  1 
ATOM   549  O  OE2  . GLU A 1 39  ? -16.93611 -4.21128  3.62880   1.000 42.92602 ? 31  GLU A OE2  1 
ATOM   550  H  H    . GLU A 1 39  ? -18.38898 -4.89426  -1.30159  1.000 23.40932 ? 31  GLU A H    1 
ATOM   551  H  HA   . GLU A 1 39  ? -19.84051 -5.51353  0.88113   1.000 24.55850 ? 31  GLU A HA   1 
ATOM   552  H  HB2  . GLU A 1 39  ? -18.91788 -3.00500  -0.03823  1.000 28.66908 ? 31  GLU A HB2  1 
ATOM   553  H  HB3  . GLU A 1 39  ? -19.69413 -3.21364  1.33265   1.000 28.66908 ? 31  GLU A HB3  1 
ATOM   554  H  HG2  . GLU A 1 39  ? -17.24562 -4.53096  0.90093   1.000 35.24913 ? 31  GLU A HG2  1 
ATOM   555  H  HG3  . GLU A 1 39  ? -17.25568 -3.04310  1.45913   1.000 35.24913 ? 31  GLU A HG3  1 
ATOM   556  N  N    . GLY A 1 40  ? -21.39504 -5.06774  -1.63823  1.000 20.65164 ? 32  GLY A N    1 
ATOM   557  C  CA   . GLY A 1 40  ? -22.70940 -4.91998  -2.21453  1.000 20.91374 ? 32  GLY A CA   1 
ATOM   558  C  C    . GLY A 1 40  ? -22.99700 -3.60164  -2.88155  1.000 20.69006 ? 32  GLY A C    1 
ATOM   559  O  O    . GLY A 1 40  ? -24.15937 -3.32092  -3.16488  1.000 23.12748 ? 32  GLY A O    1 
ATOM   560  H  H    . GLY A 1 40  ? -20.83328 -5.46935  -2.15082  1.000 24.78197 ? 32  GLY A H    1 
ATOM   561  H  HA2  . GLY A 1 40  ? -22.83074 -5.61475  -2.88046  1.000 25.09649 ? 32  GLY A HA2  1 
ATOM   562  H  HA3  . GLY A 1 40  ? -23.36647 -5.03871  -1.51093  1.000 25.09649 ? 32  GLY A HA3  1 
ATOM   563  N  N    . ILE A 1 41  ? -21.98994 -2.78823  -3.15134  1.000 17.79322 ? 33  ILE A N    1 
ATOM   564  C  CA   . ILE A 1 41  ? -22.18142 -1.49663  -3.78817  1.000 17.00125 ? 33  ILE A CA   1 
ATOM   565  C  C    . ILE A 1 41  ? -22.07295 -1.68536  -5.29975  1.000 16.99569 ? 33  ILE A C    1 
ATOM   566  O  O    . ILE A 1 41  ? -21.10037 -2.27947  -5.78128  1.000 18.92496 ? 33  ILE A O    1 
ATOM   567  C  CB   . ILE A 1 41  ? -21.12308 -0.52242  -3.24588  1.000 17.20081 ? 33  ILE A CB   1 
ATOM   568  C  CG1  . ILE A 1 41  ? -21.23109 -0.38445  -1.71714  1.000 18.70434 ? 33  ILE A CG1  1 
ATOM   569  C  CG2  . ILE A 1 41  ? -21.21384 0.81725   -3.95403  1.000 17.95447 ? 33  ILE A CG2  1 
ATOM   570  C  CD1  . ILE A 1 41  ? -19.91249 0.05995   -1.08968  1.000 19.47605 ? 33  ILE A CD1  1 
ATOM   571  H  H    . ILE A 1 41  ? -21.16789 -2.96550  -2.97130  1.000 21.35187 ? 33  ILE A H    1 
ATOM   572  H  HA   . ILE A 1 41  ? -23.06423 -1.13709  -3.60856  1.000 20.40150 ? 33  ILE A HA   1 
ATOM   573  H  HB   . ILE A 1 41  ? -20.24488 -0.88908  -3.43353  1.000 20.64097 ? 33  ILE A HB   1 
ATOM   574  H  HG12 . ILE A 1 41  ? -21.90728 0.27746   -1.50373  1.000 22.44521 ? 33  ILE A HG12 1 
ATOM   575  H  HG13 . ILE A 1 41  ? -21.47482 -1.24250  -1.33601  1.000 22.44521 ? 33  ILE A HG13 1 
ATOM   576  H  HG21 . ILE A 1 41  ? -20.66360 1.46182   -3.48215  1.000 21.54537 ? 33  ILE A HG21 1 
ATOM   577  H  HG22 . ILE A 1 41  ? -20.89623 0.71515   -4.86486  1.000 21.54537 ? 33  ILE A HG22 1 
ATOM   578  H  HG23 . ILE A 1 41  ? -22.13832 1.11088   -3.95706  1.000 21.54537 ? 33  ILE A HG23 1 
ATOM   579  H  HD11 . ILE A 1 41  ? -20.02218 0.11126   -0.12726  1.000 23.37126 ? 33  ILE A HD11 1 
ATOM   580  H  HD12 . ILE A 1 41  ? -19.22404 -0.58684  -1.31011  1.000 23.37126 ? 33  ILE A HD12 1 
ATOM   581  H  HD13 . ILE A 1 41  ? -19.67283 0.93127   -1.44220  1.000 23.37126 ? 33  ILE A HD13 1 
ATOM   582  N  N    . ASP A 1 42  ? -23.02605 -1.14630  -6.04814  1.000 16.97832 ? 34  ASP A N    1 
ATOM   583  C  CA   . ASP A 1 42  ? -23.03488 -1.23212  -7.50359  1.000 17.24679 ? 34  ASP A CA   1 
ATOM   584  C  C    . ASP A 1 42  ? -22.39737 0.01511   -8.09228  1.000 16.12200 ? 34  ASP A C    1 
ATOM   585  O  O    . ASP A 1 42  ? -22.90927 1.12442   -7.89851  1.000 17.51302 ? 34  ASP A O    1 
ATOM   586  C  CB   . ASP A 1 42  ? -24.46630 -1.40215  -8.00777  1.000 20.45299 ? 34  ASP A CB   1 
ATOM   587  C  CG   . ASP A 1 42  ? -25.10380 -2.71273  -7.58425  1.000 25.11529 ? 34  ASP A CG   1 
ATOM   588  O  OD1  . ASP A 1 42  ? -24.40947 -3.74829  -7.50625  1.000 27.04502 ? 34  ASP A OD1  1 
ATOM   589  O  OD2  . ASP A 1 42  ? -26.31414 -2.71044  -7.34977  1.000 26.83215 ? 34  ASP A OD2  1 
ATOM   590  H  H    . ASP A 1 42  ? -23.69706 -0.71371  -5.72844  1.000 20.37398 ? 34  ASP A H    1 
ATOM   591  H  HA   . ASP A 1 42  ? -22.50452 -1.99558  -7.78063  1.000 20.69615 ? 34  ASP A HA   1 
ATOM   592  H  HB2  . ASP A 1 42  ? -25.01028 -0.68000  -7.65638  1.000 24.54358 ? 34  ASP A HB2  1 
ATOM   593  H  HB3  . ASP A 1 42  ? -24.46266 -1.37325  -8.97734  1.000 24.54358 ? 34  ASP A HB3  1 
ATOM   594  N  N    . LEU A 1 43  ? -21.23524 -0.17273  -8.73412  1.000 15.19773 ? 35  LEU A N    1 
ATOM   595  C  CA   . LEU A 1 43  ? -20.50168 0.89364   -9.35724  1.000 14.56248 ? 35  LEU A CA   1 
ATOM   596  C  C    . LEU A 1 43  ? -20.35716 0.57848   -10.85444 1.000 13.87912 ? 35  LEU A C    1 
ATOM   597  O  O    . LEU A 1 43  ? -20.36155 -0.60974  -11.24946 1.000 15.76374 ? 35  LEU A O    1 
ATOM   598  C  CB   . LEU A 1 43  ? -19.10421 1.01861   -8.75553  1.000 13.89444 ? 35  LEU A CB   1 
ATOM   599  C  CG   . LEU A 1 43  ? -19.00652 1.37849   -7.27966  1.000 14.40203 ? 35  LEU A CG   1 
ATOM   600  C  CD1  . LEU A 1 43  ? -17.54465 1.48561   -6.87098  1.000 15.12295 ? 35  LEU A CD1  1 
ATOM   601  C  CD2  . LEU A 1 43  ? -19.76042 2.65859   -6.98068  1.000 14.60380 ? 35  LEU A CD2  1 
ATOM   602  H  H    . LEU A 1 43  ? -20.85374 -0.93921  -8.81517  1.000 18.23728 ? 35  LEU A H    1 
ATOM   603  H  HA   . LEU A 1 43  ? -20.96403 1.73768   -9.23584  1.000 17.47498 ? 35  LEU A HA   1 
ATOM   604  H  HB2  . LEU A 1 43  ? -18.65555 0.16590   -8.86726  1.000 16.67332 ? 35  LEU A HB2  1 
ATOM   605  H  HB3  . LEU A 1 43  ? -18.63082 1.70925   -9.24524  1.000 16.67332 ? 35  LEU A HB3  1 
ATOM   606  H  HG   . LEU A 1 43  ? -19.41848 0.67910   -6.74859  1.000 17.28243 ? 35  LEU A HG   1 
ATOM   607  H  HD11 . LEU A 1 43  ? -17.49564 1.69012   -5.92405  1.000 18.14754 ? 35  LEU A HD11 1 
ATOM   608  H  HD12 . LEU A 1 43  ? -17.10393 0.64027   -7.05006  1.000 18.14754 ? 35  LEU A HD12 1 
ATOM   609  H  HD13 . LEU A 1 43  ? -17.12424 2.19311   -7.38438  1.000 18.14754 ? 35  LEU A HD13 1 
ATOM   610  H  HD21 . LEU A 1 43  ? -19.57261 2.93002   -6.06857  1.000 17.52456 ? 35  LEU A HD21 1 
ATOM   611  H  HD22 . LEU A 1 43  ? -19.46911 3.34810   -7.59762  1.000 17.52456 ? 35  LEU A HD22 1 
ATOM   612  H  HD23 . LEU A 1 43  ? -20.71088 2.49796   -7.08894  1.000 17.52456 ? 35  LEU A HD23 1 
ATOM   613  N  N    . PRO A 1 44  ? -20.21613 1.59016   -11.70054 1.000 14.15673 ? 36  PRO A N    1 
ATOM   614  C  CA   . PRO A 1 44  ? -20.12405 1.35103   -13.12983 1.000 14.60094 ? 36  PRO A CA   1 
ATOM   615  C  C    . PRO A 1 44  ? -18.77200 0.72972   -13.48338 1.000 13.45626 ? 36  PRO A C    1 
ATOM   616  O  O    . PRO A 1 44  ? -17.72090 1.02373   -12.90177 1.000 12.90656 ? 36  PRO A O    1 
ATOM   617  C  CB   . PRO A 1 44  ? -20.29039 2.74683   -13.73313 1.000 15.23818 ? 36  PRO A CB   1 
ATOM   618  C  CG   . PRO A 1 44  ? -19.85930 3.65580   -12.66160 1.000 15.31457 ? 36  PRO A CG   1 
ATOM   619  C  CD   . PRO A 1 44  ? -20.30168 3.00938   -11.38293 1.000 15.12472 ? 36  PRO A CD   1 
ATOM   620  H  HA   . PRO A 1 44  ? -20.84187 0.78235   -13.44956 1.000 17.52113 ? 36  PRO A HA   1 
ATOM   621  H  HB2  . PRO A 1 44  ? -19.72854 2.83986   -14.51834 1.000 18.28582 ? 36  PRO A HB2  1 
ATOM   622  H  HB3  . PRO A 1 44  ? -21.21869 2.89952   -13.96944 1.000 18.28582 ? 36  PRO A HB3  1 
ATOM   623  H  HG2  . PRO A 1 44  ? -18.89446 3.75357   -12.68242 1.000 18.37748 ? 36  PRO A HG2  1 
ATOM   624  H  HG3  . PRO A 1 44  ? -20.28295 4.52101   -12.77483 1.000 18.37748 ? 36  PRO A HG3  1 
ATOM   625  H  HD2  . PRO A 1 44  ? -19.70631 3.23921   -10.65245 1.000 18.14967 ? 36  PRO A HD2  1 
ATOM   626  H  HD3  . PRO A 1 44  ? -21.21155 3.26239   -11.16150 1.000 18.14967 ? 36  PRO A HD3  1 
ATOM   627  N  N    . TYR A 1 45  ? -18.79986 -0.09415  -14.53643 1.000 13.93266 ? 37  TYR A N    1 
ATOM   628  C  CA   . TYR A 1 45  ? -17.58986 -0.65271  -15.10312 1.000 13.27502 ? 37  TYR A CA   1 
ATOM   629  C  C    . TYR A 1 45  ? -17.91040 -1.27271  -16.44974 1.000 13.98017 ? 37  TYR A C    1 
ATOM   630  O  O    . TYR A 1 45  ? -19.06604 -1.52156  -16.77376 1.000 15.37530 ? 37  TYR A O    1 
ATOM   631  C  CB   . TYR A 1 45  ? -16.99463 -1.72862  -14.21194 1.000 13.66434 ? 37  TYR A CB   1 
ATOM   632  C  CG   . TYR A 1 45  ? -17.83890 -2.96341  -14.03312 1.000 14.91721 ? 37  TYR A CG   1 
ATOM   633  C  CD1  . TYR A 1 45  ? -17.83055 -3.98727  -14.95342 1.000 16.08185 ? 37  TYR A CD1  1 
ATOM   634  C  CD2  . TYR A 1 45  ? -18.71552 -3.06304  -12.97299 1.000 16.49741 ? 37  TYR A CD2  1 
ATOM   635  C  CE1  . TYR A 1 45  ? -18.60719 -5.11157  -14.81119 1.000 18.00838 ? 37  TYR A CE1  1 
ATOM   636  C  CE2  . TYR A 1 45  ? -19.53994 -4.16821  -12.85204 1.000 18.43835 ? 37  TYR A CE2  1 
ATOM   637  C  CZ   . TYR A 1 45  ? -19.46710 -5.19973  -13.74380 1.000 19.29021 ? 37  TYR A CZ   1 
ATOM   638  O  OH   . TYR A 1 45  ? -20.29328 -6.28976  -13.57270 1.000 22.54454 ? 37  TYR A OH   1 
ATOM   639  H  H    . TYR A 1 45  ? -19.51927 -0.34137  -14.93760 1.000 16.71919 ? 37  TYR A H    1 
ATOM   640  H  HA   . TYR A 1 45  ? -16.95843 0.07403   -15.22167 1.000 15.93003 ? 37  TYR A HA   1 
ATOM   641  H  HB2  . TYR A 1 45  ? -16.14963 -2.00999  -14.59626 1.000 16.39721 ? 37  TYR A HB2  1 
ATOM   642  H  HB3  . TYR A 1 45  ? -16.84854 -1.34894  -13.33137 1.000 16.39721 ? 37  TYR A HB3  1 
ATOM   643  H  HD1  . TYR A 1 45  ? -17.27895 -3.91520  -15.69870 1.000 19.29822 ? 37  TYR A HD1  1 
ATOM   644  H  HD2  . TYR A 1 45  ? -18.75280 -2.38530  -12.33723 1.000 19.79689 ? 37  TYR A HD2  1 
ATOM   645  H  HE1  . TYR A 1 45  ? -18.55141 -5.80394  -15.42958 1.000 21.61006 ? 37  TYR A HE1  1 
ATOM   646  H  HE2  . TYR A 1 45  ? -20.15236 -4.20884  -12.15333 1.000 22.12602 ? 37  TYR A HE2  1 
ATOM   647  H  HH   . TYR A 1 45  ? -20.74794 -6.19851  -12.87230 1.000 27.05345 ? 37  TYR A HH   1 
ATOM   648  N  N    . SER A 1 46  ? -16.85033 -1.57358  -17.19505 1.000 13.76698 ? 38  SER A N    1 
ATOM   649  C  CA   A SER A 1 46  ? -17.00132 -2.41907  -18.38421 0.391 14.65415 ? 38  SER A CA   1 
ATOM   650  C  CA   B SER A 1 46  ? -16.95463 -2.32889  -18.44880 0.609 14.51479 ? 38  SER A CA   1 
ATOM   651  C  C    . SER A 1 46  ? -15.73092 -3.23181  -18.58520 1.000 14.99234 ? 38  SER A C    1 
ATOM   652  O  O    . SER A 1 46  ? -15.78799 -4.42697  -18.32804 1.000 16.26961 ? 38  SER A O    1 
ATOM   653  C  CB   A SER A 1 46  ? -17.43470 -1.64643  -19.62412 0.391 15.01257 ? 38  SER A CB   1 
ATOM   654  C  CB   B SER A 1 46  ? -17.04652 -1.37042  -19.64207 0.609 15.41106 ? 38  SER A CB   1 
ATOM   655  O  OG   A SER A 1 46  ? -16.41615 -0.78711  -20.04620 0.391 15.55401 ? 38  SER A OG   1 
ATOM   656  O  OG   B SER A 1 46  ? -17.23441 -2.11159  -20.81425 0.609 16.68053 ? 38  SER A OG   1 
ATOM   657  H  H    A SER A 1 46  ? -16.04747 -1.30754  -17.03935 0.391 16.52038 ? 38  SER A H    1 
ATOM   658  H  H    B SER A 1 46  ? -16.04409 -1.34967  -16.99645 0.609 16.52038 ? 38  SER A H    1 
ATOM   659  H  HA   A SER A 1 46  ? -17.73484 -3.03881  -18.24723 0.391 17.58498 ? 38  SER A HA   1 
ATOM   660  H  HA   B SER A 1 46  ? -17.75727 -2.87357  -18.44866 0.609 17.41774 ? 38  SER A HA   1 
ATOM   661  H  HB2  A SER A 1 46  ? -17.63465 -2.27476  -20.33554 0.391 18.01508 ? 38  SER A HB2  1 
ATOM   662  H  HB2  B SER A 1 46  ? -17.79810 -0.77025  -19.51628 0.609 18.49327 ? 38  SER A HB2  1 
ATOM   663  H  HB3  A SER A 1 46  ? -18.22352 -1.12324  -19.41217 0.391 18.01508 ? 38  SER A HB3  1 
ATOM   664  H  HB3  B SER A 1 46  ? -16.22356 -0.86160  -19.71090 0.609 18.49327 ? 38  SER A HB3  1 
ATOM   665  H  HG   A SER A 1 46  ? -16.72585 -0.21221  -20.57457 0.391 18.66481 ? 38  SER A HG   1 
ATOM   666  H  HG   B SER A 1 46  ? -17.95652 -2.53858  -20.77153 0.609 20.01663 ? 38  SER A HG   1 
ATOM   667  N  N    . CYS A 1 47  ? -14.59611 -2.64575  -18.95991 1.000 13.91030 ? 39  CYS A N    1 
ATOM   668  C  CA   . CYS A 1 47  ? -13.41025 -3.44594  -19.28409 1.000 14.03670 ? 39  CYS A CA   1 
ATOM   669  C  C    . CYS A 1 47  ? -12.78127 -4.12851  -18.07843 1.000 13.41113 ? 39  CYS A C    1 
ATOM   670  O  O    . CYS A 1 47  ? -12.15173 -5.19159  -18.23120 1.000 14.25936 ? 39  CYS A O    1 
ATOM   671  C  CB   . CYS A 1 47  ? -12.39748 -2.62764  -20.07913 1.000 13.77184 ? 39  CYS A CB   1 
ATOM   672  S  SG   . CYS A 1 47  ? -11.37684 -1.46060  -19.09079 1.000 12.33968 ? 39  CYS A SG   1 
ATOM   673  H  H    . CYS A 1 47  ? -14.48347 -1.79645  -19.03485 1.000 16.69236 ? 39  CYS A H    1 
ATOM   674  H  HA   . CYS A 1 47  ? -13.70028 -4.16756  -19.86379 1.000 16.84404 ? 39  CYS A HA   1 
ATOM   675  H  HB2  . CYS A 1 47  ? -11.78945 -3.24056  -20.52132 1.000 16.52621 ? 39  CYS A HB2  1 
ATOM   676  H  HB3  . CYS A 1 47  ? -12.87855 -2.10391  -20.73880 1.000 16.52621 ? 39  CYS A HB3  1 
ATOM   677  N  N    . ARG A 1 48  ? -12.83814 -3.47963  -16.91481 1.000 12.39881 ? 40  ARG A N    1 
ATOM   678  C  CA   . ARG A 1 48  ? -12.15436 -3.90059  -15.70638 1.000 12.93437 ? 40  ARG A CA   1 
ATOM   679  C  C    . ARG A 1 48  ? -10.64984 -4.04660  -15.87393 1.000 13.13537 ? 40  ARG A C    1 
ATOM   680  O  O    . ARG A 1 48  ? -10.00638 -4.71793  -15.05578 1.000 14.96146 ? 40  ARG A O    1 
ATOM   681  C  CB   . ARG A 1 48  ? -12.75545 -5.15438  -15.09039 1.000 14.55975 ? 40  ARG A CB   1 
ATOM   682  C  CG   . ARG A 1 48  ? -14.23868 -5.01922  -14.91754 1.000 15.60115 ? 40  ARG A CG   1 
ATOM   683  C  CD   . ARG A 1 48  ? -14.88749 -6.24194  -14.25915 1.000 17.29342 ? 40  ARG A CD   1 
ATOM   684  N  NE   . ARG A 1 48  ? -14.52619 -6.36711  -12.85264 1.000 18.71745 ? 40  ARG A NE   1 
ATOM   685  C  CZ   . ARG A 1 48  ? -15.29863 -5.99136  -11.84131 1.000 19.70558 ? 40  ARG A CZ   1 
ATOM   686  N  NH1  . ARG A 1 48  ? -16.49893 -5.48930  -12.04277 1.000 19.66804 ? 40  ARG A NH1  1 
ATOM   687  N  NH2  . ARG A 1 48  ? -14.83772 -6.11356  -10.60755 1.000 21.32610 ? 40  ARG A NH2  1 
ATOM   688  H  H    . ARG A 1 48  ? -13.29067 -2.75728  -16.80073 1.000 14.87858 ? 40  ARG A H    1 
ATOM   689  H  HA   . ARG A 1 48  ? -12.28533 -3.18050  -15.06981 1.000 15.52125 ? 40  ARG A HA   1 
ATOM   690  H  HB2  . ARG A 1 48  ? -12.58230 -5.91212  -15.67069 1.000 17.47170 ? 40  ARG A HB2  1 
ATOM   691  H  HB3  . ARG A 1 48  ? -12.35790 -5.30636  -14.21875 1.000 17.47170 ? 40  ARG A HB3  1 
ATOM   692  H  HG2  . ARG A 1 48  ? -14.42082 -4.24859  -14.35731 1.000 18.72138 ? 40  ARG A HG2  1 
ATOM   693  H  HG3  . ARG A 1 48  ? -14.64701 -4.89961  -15.78924 1.000 18.72138 ? 40  ARG A HG3  1 
ATOM   694  H  HD2  . ARG A 1 48  ? -15.85231 -6.16025  -14.31705 1.000 20.75210 ? 40  ARG A HD2  1 
ATOM   695  H  HD3  . ARG A 1 48  ? -14.59428 -7.04417  -14.71888 1.000 20.75210 ? 40  ARG A HD3  1 
ATOM   696  H  HE   . ARG A 1 48  ? -13.75925 -6.70812  -12.66526 1.000 22.46094 ? 40  ARG A HE   1 
ATOM   697  H  HH11 . ARG A 1 48  ? -16.79825 -5.39876  -12.84390 1.000 23.60165 ? 40  ARG A HH11 1 
ATOM   698  H  HH12 . ARG A 1 48  ? -16.98366 -5.25190  -11.37324 1.000 23.60165 ? 40  ARG A HH12 1 
ATOM   699  H  HH21 . ARG A 1 48  ? -14.05033 -6.43183  -10.47224 1.000 25.59132 ? 40  ARG A HH21 1 
ATOM   700  H  HH22 . ARG A 1 48  ? -15.32544 -5.87474  -9.94070  1.000 25.59132 ? 40  ARG A HH22 1 
ATOM   701  N  N    . ALA A 1 49  ? -10.05595 -3.34585  -16.82342 1.000 12.29315 ? 41  ALA A N    1 
ATOM   702  C  CA   . ALA A 1 49  ? -8.65810  -3.52919  -17.21455 1.000 12.83092 ? 41  ALA A CA   1 
ATOM   703  C  C    . ALA A 1 49  ? -7.89504  -2.22348  -17.25043 1.000 12.71038 ? 41  ALA A C    1 
ATOM   704  O  O    . ALA A 1 49  ? -6.75556  -2.19624  -17.71367 1.000 15.43472 ? 41  ALA A O    1 
ATOM   705  C  CB   . ALA A 1 49  ? -8.59702  -4.21558  -18.57706 1.000 14.66694 ? 41  ALA A CB   1 
ATOM   706  H  H    . ALA A 1 49  ? -10.45159 -2.73220  -17.27784 1.000 14.75178 ? 41  ALA A H    1 
ATOM   707  H  HA   . ALA A 1 49  ? -8.21312  -4.09932  -16.56814 1.000 15.39710 ? 41  ALA A HA   1 
ATOM   708  H  HB1  . ALA A 1 49  ? -7.66800  -4.34774  -18.82273 1.000 17.60032 ? 41  ALA A HB1  1 
ATOM   709  H  HB2  . ALA A 1 49  ? -9.04907  -5.07189  -18.51984 1.000 17.60032 ? 41  ALA A HB2  1 
ATOM   710  H  HB3  . ALA A 1 49  ? -9.03609  -3.65300  -19.23405 1.000 17.60032 ? 41  ALA A HB3  1 
ATOM   711  N  N    . GLY A 1 50  ? -8.46192  -1.13102  -16.74755 1.000 11.18304 ? 42  GLY A N    1 
ATOM   712  C  CA   . GLY A 1 50  ? -7.75109  0.11594   -16.70041 1.000 11.27285 ? 42  GLY A CA   1 
ATOM   713  C  C    . GLY A 1 50  ? -7.68508  0.86920   -18.01808 1.000 10.89234 ? 42  GLY A C    1 
ATOM   714  O  O    . GLY A 1 50  ? -6.91578  1.82606   -18.10419 1.000 11.55142 ? 42  GLY A O    1 
ATOM   715  H  H    . GLY A 1 50  ? -9.26010  -1.09743  -16.42916 1.000 13.41965 ? 42  GLY A H    1 
ATOM   716  H  HA2  . GLY A 1 50  ? -8.18215  0.69388   -16.05151 1.000 13.52741 ? 42  GLY A HA2  1 
ATOM   717  H  HA3  . GLY A 1 50  ? -6.84075  -0.05710  -16.41362 1.000 13.52741 ? 42  GLY A HA3  1 
ATOM   718  N  N    . SER A 1 51  ? -8.47000  0.47247   -19.02028 1.000 11.26979 ? 43  SER A N    1 
ATOM   719  C  CA   . SER A 1 51  ? -8.33481  0.97071   -20.37994 1.000 11.88469 ? 43  SER A CA   1 
ATOM   720  C  C    . SER A 1 51  ? -9.61950  1.55898   -20.94936 1.000 12.25865 ? 43  SER A C    1 
ATOM   721  O  O    . SER A 1 51  ? -9.78786  1.60330   -22.17162 1.000 14.39312 ? 43  SER A O    1 
ATOM   722  C  CB   . SER A 1 51  ? -7.80235  -0.13022  -21.28285 1.000 12.48620 ? 43  SER A CB   1 
ATOM   723  O  OG   . SER A 1 51  ? -8.47106  -1.35557  -21.14837 1.000 13.63339 ? 43  SER A OG   1 
ATOM   724  H  H    . SER A 1 51  ? -9.10469  -0.10087  -18.93053 1.000 13.52375 ? 43  SER A H    1 
ATOM   725  H  HA   . SER A 1 51  ? -7.70370  1.70702   -20.35894 1.000 14.26163 ? 43  SER A HA   1 
ATOM   726  H  HB2  . SER A 1 51  ? -7.89147  0.16363   -22.20297 1.000 14.98344 ? 43  SER A HB2  1 
ATOM   727  H  HB3  . SER A 1 51  ? -6.86683  -0.27107  -21.06870 1.000 14.98344 ? 43  SER A HB3  1 
ATOM   728  H  HG   . SER A 1 51  ? -8.12213  -1.93009  -21.65214 1.000 16.36007 ? 43  SER A HG   1 
ATOM   729  N  N    . CYS A 1 52  ? -10.52181 2.06811   -20.11459 1.000 11.85476 ? 44  CYS A N    1 
ATOM   730  C  CA   . CYS A 1 52  ? -11.73089 2.69793   -20.60093 1.000 12.24665 ? 44  CYS A CA   1 
ATOM   731  C  C    . CYS A 1 52  ? -12.17538 3.76433   -19.59453 1.000 12.40211 ? 44  CYS A C    1 
ATOM   732  O  O    . CYS A 1 52  ? -11.55177 3.97808   -18.55705 1.000 12.97417 ? 44  CYS A O    1 
ATOM   733  C  CB   . CYS A 1 52  ? -12.83304 1.66764   -20.95695 1.000 13.08562 ? 44  CYS A CB   1 
ATOM   734  S  SG   . CYS A 1 52  ? -13.91532 1.13557   -19.60566 1.000 12.70475 ? 44  CYS A SG   1 
ATOM   735  H  H    . CYS A 1 52  ? -10.45020 2.05787   -19.25764 1.000 14.22571 ? 44  CYS A H    1 
ATOM   736  H  HA   . CYS A 1 52  ? -11.52841 3.16167   -21.42849 1.000 14.69598 ? 44  CYS A HA   1 
ATOM   737  H  HB2  . CYS A 1 52  ? -13.40154 2.05933   -21.63835 1.000 15.70275 ? 44  CYS A HB2  1 
ATOM   738  H  HB3  . CYS A 1 52  ? -12.39977 0.87199   -21.30352 1.000 15.70275 ? 44  CYS A HB3  1 
ATOM   739  N  N    . SER A 1 53  ? -13.29963 4.40376   -19.90413 1.000 12.62247 ? 45  SER A N    1 
ATOM   740  C  CA   . SER A 1 53  ? -13.81406 5.47382   -19.05480 1.000 13.30960 ? 45  SER A CA   1 
ATOM   741  C  C    . SER A 1 53  ? -14.91719 5.03057   -18.09936 1.000 12.57313 ? 45  SER A C    1 
ATOM   742  O  O    . SER A 1 53  ? -15.37445 5.85228   -17.30034 1.000 13.00640 ? 45  SER A O    1 
ATOM   743  C  CB   . SER A 1 53  ? -14.31963 6.60377   -19.94233 1.000 14.76847 ? 45  SER A CB   1 
ATOM   744  O  OG   . SER A 1 53  ? -15.29311 6.16691   -20.86140 1.000 15.96086 ? 45  SER A OG   1 
ATOM   745  H  H    . SER A 1 53  ? -13.77987 4.23654   -20.59767 1.000 15.14696 ? 45  SER A H    1 
ATOM   746  H  HA   . SER A 1 53  ? -13.09141 5.80691   -18.50007 1.000 15.97152 ? 45  SER A HA   1 
ATOM   747  H  HB2  . SER A 1 53  ? -14.71120 7.28913   -19.37853 1.000 17.72216 ? 45  SER A HB2  1 
ATOM   748  H  HB3  . SER A 1 53  ? -13.56910 6.96934   -20.43625 1.000 17.72216 ? 45  SER A HB3  1 
ATOM   749  H  HG   . SER A 1 53  ? -15.95002 5.84162   -20.45120 1.000 19.15303 ? 45  SER A HG   1 
ATOM   750  N  N    . SER A 1 54  ? -15.37068 3.78386   -18.15986 1.000 12.25143 ? 46  SER A N    1 
ATOM   751  C  CA   A SER A 1 54  ? -16.62437 3.41035   -17.51466 0.446 13.13648 ? 46  SER A CA   1 
ATOM   752  C  CA   B SER A 1 54  ? -16.63702 3.45474   -17.53369 0.554 13.14794 ? 46  SER A CA   1 
ATOM   753  C  C    . SER A 1 54  ? -16.60662 3.64512   -16.01453 1.000 12.54367 ? 46  SER A C    1 
ATOM   754  O  O    . SER A 1 54  ? -17.61320 4.09681   -15.44080 1.000 12.93984 ? 46  SER A O    1 
ATOM   755  C  CB   A SER A 1 54  ? -16.94647 1.93286   -17.77120 0.446 13.60470 ? 46  SER A CB   1 
ATOM   756  C  CB   B SER A 1 54  ? -16.99411 2.01373   -17.89512 0.554 13.83595 ? 46  SER A CB   1 
ATOM   757  O  OG   A SER A 1 54  ? -17.32335 1.72278   -19.12785 0.446 15.18730 ? 46  SER A OG   1 
ATOM   758  O  OG   B SER A 1 54  ? -18.07031 1.53515   -17.12442 0.554 15.47315 ? 46  SER A OG   1 
ATOM   759  H  H    A SER A 1 54  ? -14.97475 3.13726   -18.56575 0.446 14.70171 ? 46  SER A H    1 
ATOM   760  H  H    B SER A 1 54  ? -14.97256 3.12794   -18.54827 0.554 14.70171 ? 46  SER A H    1 
ATOM   761  H  HA   A SER A 1 54  ? -17.31427 3.96771   -17.90747 0.446 15.76378 ? 46  SER A HA   1 
ATOM   762  H  HA   B SER A 1 54  ? -17.32351 4.05167   -17.87031 0.554 15.77753 ? 46  SER A HA   1 
ATOM   763  H  HB2  A SER A 1 54  ? -16.15970 1.40004   -17.57625 0.446 16.32564 ? 46  SER A HB2  1 
ATOM   764  H  HB2  B SER A 1 54  ? -17.24141 1.97896   -18.83242 0.554 16.60314 ? 46  SER A HB2  1 
ATOM   765  H  HB3  A SER A 1 54  ? -17.67952 1.66518   -17.19511 0.446 16.32564 ? 46  SER A HB3  1 
ATOM   766  H  HB3  B SER A 1 54  ? -16.22061 1.45075   -17.73498 0.554 16.60314 ? 46  SER A HB3  1 
ATOM   767  H  HG   A SER A 1 54  ? -17.58342 0.93121   -19.23450 0.446 18.22477 ? 46  SER A HG   1 
ATOM   768  H  HG   B SER A 1 54  ? -18.46407 0.91633   -17.53383 0.554 18.56779 ? 46  SER A HG   1 
ATOM   769  N  N    . CYS A 1 55  ? -15.52246 3.24895   -15.35377 1.000 11.05424 ? 47  CYS A N    1 
ATOM   770  C  CA   . CYS A 1 55  ? -15.44899 3.21823   -13.88998 1.000 10.82560 ? 47  CYS A CA   1 
ATOM   771  C  C    . CYS A 1 55  ? -14.86664 4.50686   -13.31735 1.000 10.62356 ? 47  CYS A C    1 
ATOM   772  O  O    . CYS A 1 55  ? -14.47648 4.55372   -12.11769 1.000 10.66862 ? 47  CYS A O    1 
ATOM   773  C  CB   . CYS A 1 55  ? -14.63438 2.02999   -13.44223 1.000 10.70439 ? 47  CYS A CB   1 
ATOM   774  S  SG   . CYS A 1 55  ? -12.86503 2.26519   -13.89055 1.000 10.16347 ? 47  CYS A SG   1 
ATOM   775  H  H    . CYS A 1 55  ? -14.79875 2.98674   -15.73729 1.000 13.26508 ? 47  CYS A H    1 
ATOM   776  H  HA   . CYS A 1 55  ? -16.34457 3.11296   -13.53254 1.000 12.99072 ? 47  CYS A HA   1 
ATOM   777  H  HB2  . CYS A 1 55  ? -14.70113 1.93424   -12.47928 1.000 12.84527 ? 47  CYS A HB2  1 
ATOM   778  H  HB3  . CYS A 1 55  ? -14.96188 1.22810   -13.87885 1.000 12.84527 ? 47  CYS A HB3  1 
ATOM   779  N  N    . ALA A 1 56  ? -14.81693 5.56187   -14.10675 1.000 10.62140 ? 48  ALA A N    1 
ATOM   780  C  CA   . ALA A 1 56  ? -14.13244 6.76631   -13.68399 1.000 10.69729 ? 48  ALA A CA   1 
ATOM   781  C  C    . ALA A 1 56  ? -14.77952 7.37467   -12.44966 1.000 10.88509 ? 48  ALA A C    1 
ATOM   782  O  O    . ALA A 1 56  ? -16.00397 7.43583   -12.29934 1.000 11.96900 ? 48  ALA A O    1 
ATOM   783  C  CB   . ALA A 1 56  ? -14.15708 7.78046   -14.80694 1.000 12.12723 ? 48  ALA A CB   1 
ATOM   784  H  H    . ALA A 1 56  ? -15.16999 5.60700   -14.88964 1.000 12.74568 ? 48  ALA A H    1 
ATOM   785  H  HA   . ALA A 1 56  ? -13.21498 6.54262   -13.46237 1.000 12.83675 ? 48  ALA A HA   1 
ATOM   786  H  HB1  . ALA A 1 56  ? -13.69539 8.58305   -14.51781 1.000 14.55268 ? 48  ALA A HB1  1 
ATOM   787  H  HB2  . ALA A 1 56  ? -13.71206 7.40400   -15.58227 1.000 14.55268 ? 48  ALA A HB2  1 
ATOM   788  H  HB3  . ALA A 1 56  ? -15.07920 7.98923   -15.02375 1.000 14.55268 ? 48  ALA A HB3  1 
ATOM   789  N  N    . GLY A 1 57  ? -13.93035 7.91945   -11.60044 1.000 10.53154 ? 49  GLY A N    1 
ATOM   790  C  CA   . GLY A 1 57  ? -14.31408 8.69252   -10.43381 1.000 10.63004 ? 49  GLY A CA   1 
ATOM   791  C  C    . GLY A 1 57  ? -13.35396 9.85029   -10.25099 1.000 9.92080  ? 49  GLY A C    1 
ATOM   792  O  O    . GLY A 1 57  ? -12.37592 9.98677   -10.97855 1.000 10.50294 ? 49  GLY A O    1 
ATOM   793  H  H    . GLY A 1 57  ? -13.07674 7.85282   -11.68114 1.000 12.63785 ? 49  GLY A H    1 
ATOM   794  H  HA2  . GLY A 1 57  ? -15.21233 9.04069   -10.54705 1.000 12.75605 ? 49  GLY A HA2  1 
ATOM   795  H  HA3  . GLY A 1 57  ? -14.28984 8.13277   -9.64198  1.000 12.75605 ? 49  GLY A HA3  1 
ATOM   796  N  N    . LYS A 1 58  ? -13.63607 10.67286  -9.23850  1.000 10.08218 ? 50  LYS A N    1 
ATOM   797  C  CA   . LYS A 1 58  ? -12.79217 11.79366  -8.88587  1.000 10.29283 ? 50  LYS A CA   1 
ATOM   798  C  C    . LYS A 1 58  ? -12.32212 11.62395  -7.44345  1.000 10.24490 ? 50  LYS A C    1 
ATOM   799  O  O    . LYS A 1 58  ? -13.12815 11.47530  -6.52496  1.000 11.24838 ? 50  LYS A O    1 
ATOM   800  C  CB   . LYS A 1 58  ? -13.55414 13.11095  -9.07608  1.000 13.09628 ? 50  LYS A CB   1 
ATOM   801  C  CG   . LYS A 1 58  ? -13.93186 13.44834  -10.47952 1.000 17.23750 ? 50  LYS A CG   1 
ATOM   802  C  CD   . LYS A 1 58  ? -12.77774 13.54433  -11.37424 1.000 25.42195 ? 50  LYS A CD   1 
ATOM   803  C  CE   . LYS A 1 58  ? -11.81105 14.64428  -10.99689 1.000 32.88474 ? 50  LYS A CE   1 
ATOM   804  N  NZ   . LYS A 1 58  ? -12.31205 15.99820  -11.39465 1.000 36.27255 ? 50  LYS A NZ   1 
ATOM   805  H  H    . LYS A 1 58  ? -14.32888 10.59223  -8.73539  1.000 12.09861 ? 50  LYS A H    1 
ATOM   806  H  HA   . LYS A 1 58  ? -12.00244 11.82023  -9.44847  1.000 12.35139 ? 50  LYS A HA   1 
ATOM   807  H  HB2  . LYS A 1 58  ? -14.37498 13.06379  -8.56140  1.000 15.71553 ? 50  LYS A HB2  1 
ATOM   808  H  HB3  . LYS A 1 58  ? -12.99733 13.83386  -8.74706  1.000 15.71553 ? 50  LYS A HB3  1 
ATOM   809  H  HG2  . LYS A 1 58  ? -14.51943 12.75726  -10.82313 1.000 20.68500 ? 50  LYS A HG2  1 
ATOM   810  H  HG3  . LYS A 1 58  ? -14.38729 14.30475  -10.48667 1.000 20.68500 ? 50  LYS A HG3  1 
ATOM   811  H  HD2  . LYS A 1 58  ? -12.29352 12.70411  -11.35258 1.000 30.50634 ? 50  LYS A HD2  1 
ATOM   812  H  HD3  . LYS A 1 58  ? -13.09269 13.72262  -12.27419 1.000 30.50634 ? 50  LYS A HD3  1 
ATOM   813  H  HE2  . LYS A 1 58  ? -11.68313 14.63990  -10.03538 1.000 39.46169 ? 50  LYS A HE2  1 
ATOM   814  H  HE3  . LYS A 1 58  ? -10.96435 14.49177  -11.44493 1.000 39.46169 ? 50  LYS A HE3  1 
ATOM   815  H  HZ1  . LYS A 1 58  ? -11.71986 16.62154  -11.16473 1.000 43.52705 ? 50  LYS A HZ1  1 
ATOM   816  H  HZ2  . LYS A 1 58  ? -12.43748 16.02976  -12.27520 1.000 43.52705 ? 50  LYS A HZ2  1 
ATOM   817  H  HZ3  . LYS A 1 58  ? -13.08433 16.16898  -10.98658 1.000 43.52705 ? 50  LYS A HZ3  1 
ATOM   818  N  N    . LEU A 1 59  ? -11.02474 11.67286  -7.24684  1.000 10.19736 ? 51  LEU A N    1 
ATOM   819  C  CA   . LEU A 1 59  ? -10.40917 11.57306  -5.93563  1.000 10.25774 ? 51  LEU A CA   1 
ATOM   820  C  C    . LEU A 1 59  ? -10.53961 12.91479  -5.23720  1.000 10.30921 ? 51  LEU A C    1 
ATOM   821  O  O    . LEU A 1 59  ? -10.01496 13.92813  -5.72091  1.000 12.75625 ? 51  LEU A O    1 
ATOM   822  C  CB   . LEU A 1 59  ? -8.94390  11.18390  -6.08061  1.000 11.12325 ? 51  LEU A CB   1 
ATOM   823  C  CG   . LEU A 1 59  ? -8.16634  11.05257  -4.76197  1.000 11.64435 ? 51  LEU A CG   1 
ATOM   824  C  CD1  . LEU A 1 59  ? -8.68389  9.93269   -3.89286  1.000 11.79156 ? 51  LEU A CD1  1 
ATOM   825  C  CD2  . LEU A 1 59  ? -6.68145  10.82076  -5.11945  1.000 13.01612 ? 51  LEU A CD2  1 
ATOM   826  H  H    . LEU A 1 59  ? -10.45061 11.76726  -7.88014  1.000 12.23684 ? 51  LEU A H    1 
ATOM   827  H  HA   . LEU A 1 59  ? -10.85448 10.89486  -5.40399  1.000 12.30929 ? 51  LEU A HA   1 
ATOM   828  H  HB2  . LEU A 1 59  ? -8.89910  10.32583  -6.53073  1.000 13.34790 ? 51  LEU A HB2  1 
ATOM   829  H  HB3  . LEU A 1 59  ? -8.49938  11.86167  -6.61347  1.000 13.34790 ? 51  LEU A HB3  1 
ATOM   830  H  HG   . LEU A 1 59  ? -8.27378  11.86146  -4.23750  1.000 13.97322 ? 51  LEU A HG   1 
ATOM   831  H  HD11 . LEU A 1 59  ? -8.13211  9.86931   -3.09761  1.000 14.14987 ? 51  LEU A HD11 1 
ATOM   832  H  HD12 . LEU A 1 59  ? -9.60171  10.12424  -3.64424  1.000 14.14987 ? 51  LEU A HD12 1 
ATOM   833  H  HD13 . LEU A 1 59  ? -8.64275  9.10145   -4.39111  1.000 14.14987 ? 51  LEU A HD13 1 
ATOM   834  H  HD21 . LEU A 1 59  ? -6.17255  10.71339  -4.30068  1.000 15.61935 ? 51  LEU A HD21 1 
ATOM   835  H  HD22 . LEU A 1 59  ? -6.60850  10.01980  -5.66170  1.000 15.61935 ? 51  LEU A HD22 1 
ATOM   836  H  HD23 . LEU A 1 59  ? -6.35265  11.58693  -5.61522  1.000 15.61935 ? 51  LEU A HD23 1 
ATOM   837  N  N    . LYS A 1 60  ? -11.23537 12.92481  -4.10253  1.000 9.54887  ? 52  LYS A N    1 
ATOM   838  C  CA   . LYS A 1 60  ? -11.43960 14.14384  -3.33516  1.000 10.25256 ? 52  LYS A CA   1 
ATOM   839  C  C    . LYS A 1 60  ? -10.45820 14.27239  -2.18346  1.000 10.18435 ? 52  LYS A C    1 
ATOM   840  O  O    . LYS A 1 60  ? -10.04659 15.40198  -1.87940  1.000 11.44501 ? 52  LYS A O    1 
ATOM   841  C  CB   . LYS A 1 60  ? -12.87282 14.21863  -2.80756  1.000 11.74526 ? 52  LYS A CB   1 
ATOM   842  C  CG   . LYS A 1 60  ? -13.93641 14.11068  -3.94239  1.000 15.65048 ? 52  LYS A CG   1 
ATOM   843  C  CD   . LYS A 1 60  ? -13.67063 14.90845  -5.23179  1.000 20.89793 ? 52  LYS A CD   1 
ATOM   844  C  CE   . LYS A 1 60  ? -13.91894 16.40392  -5.07519  1.000 27.22544 ? 52  LYS A CE   1 
ATOM   845  N  NZ   . LYS A 1 60  ? -13.70046 17.09028  -6.40399  1.000 34.01388 ? 52  LYS A NZ   1 
ATOM   846  H  H    . LYS A 1 60  ? -11.60187 12.22857  -3.75537  1.000 11.45864 ? 52  LYS A H    1 
ATOM   847  H  HA   . LYS A 1 60  ? -11.31643 14.90739  -3.92058  1.000 12.30308 ? 52  LYS A HA   1 
ATOM   848  H  HB2  . LYS A 1 60  ? -13.01976 13.48778  -2.18694  1.000 14.09431 ? 52  LYS A HB2  1 
ATOM   849  H  HB3  . LYS A 1 60  ? -12.99960 15.06777  -2.35614  1.000 14.09431 ? 52  LYS A HB3  1 
ATOM   850  H  HG2  . LYS A 1 60  ? -14.00704 13.17791  -4.19902  1.000 18.78057 ? 52  LYS A HG2  1 
ATOM   851  H  HG3  . LYS A 1 60  ? -14.78419 14.42266  -3.58906  1.000 18.78057 ? 52  LYS A HG3  1 
ATOM   852  H  HD2  . LYS A 1 60  ? -12.74423 14.78632  -5.49210  1.000 25.07752 ? 52  LYS A HD2  1 
ATOM   853  H  HD3  . LYS A 1 60  ? -14.25768 14.58099  -5.93111  1.000 25.07752 ? 52  LYS A HD3  1 
ATOM   854  H  HE2  . LYS A 1 60  ? -14.83291 16.55767  -4.78896  1.000 32.67053 ? 52  LYS A HE2  1 
ATOM   855  H  HE3  . LYS A 1 60  ? -13.30110 16.77394  -4.42539  1.000 32.67053 ? 52  LYS A HE3  1 
ATOM   856  H  HZ1  . LYS A 1 60  ? -13.83843 17.96558  -6.32080  1.000 40.81666 ? 52  LYS A HZ1  1 
ATOM   857  H  HZ2  . LYS A 1 60  ? -12.86635 16.95461  -6.68317  1.000 40.81666 ? 52  LYS A HZ2  1 
ATOM   858  H  HZ3  . LYS A 1 60  ? -14.26461 16.76535  -7.01083  1.000 40.81666 ? 52  LYS A HZ3  1 
ATOM   859  N  N    . THR A 1 61  ? -10.10967 13.16398  -1.53978  1.000 10.43160 ? 53  THR A N    1 
ATOM   860  C  CA   . THR A 1 61  ? -9.28223  13.16859  -0.33519  1.000 10.43498 ? 53  THR A CA   1 
ATOM   861  C  C    . THR A 1 61  ? -8.40853  11.93398  -0.35700  1.000 9.67899  ? 53  THR A C    1 
ATOM   862  O  O    . THR A 1 61  ? -8.88891  10.84486  -0.66600  1.000 10.55313 ? 53  THR A O    1 
ATOM   863  C  CB   . THR A 1 61  ? -10.16048 13.12183  0.92643   1.000 11.93350 ? 53  THR A CB   1 
ATOM   864  O  OG1  . THR A 1 61  ? -11.19476 14.08385  0.75923   1.000 13.23615 ? 53  THR A OG1  1 
ATOM   865  C  CG2  . THR A 1 61  ? -9.34224  13.43224  2.17631   1.000 13.57085 ? 53  THR A CG2  1 
ATOM   866  H  H    . THR A 1 61  ? -10.34528 12.37440  -1.78605  1.000 12.51793 ? 53  THR A H    1 
ATOM   867  H  HA   . THR A 1 61  ? -8.72684  13.96366  -0.31741  1.000 12.52198 ? 53  THR A HA   1 
ATOM   868  H  HB   . THR A 1 61  ? -10.53737 12.23728  1.05459   1.000 14.32020 ? 53  THR A HB   1 
ATOM   869  H  HG1  . THR A 1 61  ? -11.70295 14.07851  1.42804   1.000 15.88338 ? 53  THR A HG1  1 
ATOM   870  H  HG21 . THR A 1 61  ? -9.91591  13.42582  2.95846   1.000 16.28502 ? 53  THR A HG21 1 
ATOM   871  H  HG22 . THR A 1 61  ? -8.64618  12.76646  2.29097   1.000 16.28502 ? 53  THR A HG22 1 
ATOM   872  H  HG23 . THR A 1 61  ? -8.93088  14.30690  2.09478   1.000 16.28502 ? 53  THR A HG23 1 
ATOM   873  N  N    . GLY A 1 62  ? -7.14879  12.08592  0.03956   1.000 10.40616 ? 54  GLY A N    1 
ATOM   874  C  CA   . GLY A 1 62  ? -6.25940  10.96127  0.20346   1.000 10.79537 ? 54  GLY A CA   1 
ATOM   875  C  C    . GLY A 1 62  ? -5.43712  10.65998  -1.03593  1.000 10.38446 ? 54  GLY A C    1 
ATOM   876  O  O    . GLY A 1 62  ? -5.36671  11.47464  -1.96107  1.000 11.44426 ? 54  GLY A O    1 
ATOM   877  H  H    . GLY A 1 62  ? -6.78673  12.84462  0.22092   1.000 12.48739 ? 54  GLY A H    1 
ATOM   878  H  HA2  . GLY A 1 62  ? -5.64803  11.14395  0.93405   1.000 12.95444 ? 54  GLY A HA2  1 
ATOM   879  H  HA3  . GLY A 1 62  ? -6.78144  10.17245  0.41825   1.000 12.95444 ? 54  GLY A HA3  1 
ATOM   880  N  N    . SER A 1 63  ? -4.84750  9.45917   -1.05326  1.000 10.63458 ? 55  SER A N    1 
ATOM   881  C  CA   . SER A 1 63  ? -3.87688  9.05405   -2.04803  1.000 11.42616 ? 55  SER A CA   1 
ATOM   882  C  C    . SER A 1 63  ? -4.15436  7.65003   -2.56928  1.000 10.65922 ? 55  SER A C    1 
ATOM   883  O  O    . SER A 1 63  ? -4.54034  6.76551   -1.80732  1.000 11.12688 ? 55  SER A O    1 
ATOM   884  C  CB   . SER A 1 63  ? -2.43781  9.16597   -1.53755  1.000 14.96026 ? 55  SER A CB   1 
ATOM   885  O  OG   . SER A 1 63  ? -2.18367  10.41954  -0.97244  1.000 17.97986 ? 55  SER A OG   1 
ATOM   886  H  H    . SER A 1 63  ? -5.00614  8.84510   -0.47244  1.000 12.76149 ? 55  SER A H    1 
ATOM   887  H  HA   . SER A 1 63  ? -3.97199  9.64967   -2.80770  1.000 13.71139 ? 55  SER A HA   1 
ATOM   888  H  HB2  . SER A 1 63  ? -2.29217  8.48433   -0.86298  1.000 17.95231 ? 55  SER A HB2  1 
ATOM   889  H  HB3  . SER A 1 63  ? -1.83119  9.03069   -2.28227  1.000 17.95231 ? 55  SER A HB3  1 
ATOM   890  H  HG   . SER A 1 63  ? -1.41418  10.43226  -0.63581  1.000 21.57584 ? 55  SER A HG   1 
ATOM   891  N  N    . LEU A 1 64  ? -3.90107  7.47741   -3.87547  1.000 10.89247 ? 56  LEU A N    1 
ATOM   892  C  CA   . LEU A 1 64  ? -4.07590  6.21628   -4.57075  1.000 10.88892 ? 56  LEU A CA   1 
ATOM   893  C  C    . LEU A 1 64  ? -2.80790  5.80762   -5.29983  1.000 11.29932 ? 56  LEU A C    1 
ATOM   894  O  O    . LEU A 1 64  ? -2.01779  6.64137   -5.71177  1.000 14.21659 ? 56  LEU A O    1 
ATOM   895  C  CB   . LEU A 1 64  ? -5.16453  6.36434   -5.65919  1.000 11.16996 ? 56  LEU A CB   1 
ATOM   896  C  CG   . LEU A 1 64  ? -6.55425  6.68466   -5.15813  1.000 11.51710 ? 56  LEU A CG   1 
ATOM   897  C  CD1  . LEU A 1 64  ? -7.41987  7.06047   -6.34855  1.000 12.80861 ? 56  LEU A CD1  1 
ATOM   898  C  CD2  . LEU A 1 64  ? -7.15650  5.52077   -4.36493  1.000 12.26832 ? 56  LEU A CD2  1 
ATOM   899  H  H    . LEU A 1 64  ? -3.61702  8.10555   -4.38963  1.000 13.07096 ? 56  LEU A H    1 
ATOM   900  H  HA   . LEU A 1 64  ? -4.29711  5.53861   -3.91292  1.000 13.06671 ? 56  LEU A HA   1 
ATOM   901  H  HB2  . LEU A 1 64  ? -4.90088  7.08174   -6.25646  1.000 13.40396 ? 56  LEU A HB2  1 
ATOM   902  H  HB3  . LEU A 1 64  ? -5.21996  5.52869   -6.14859  1.000 13.40396 ? 56  LEU A HB3  1 
ATOM   903  H  HG   . LEU A 1 64  ? -6.51901  7.43172   -4.54043  1.000 13.82052 ? 56  LEU A HG   1 
ATOM   904  H  HD11 . LEU A 1 64  ? -8.33414  7.18230   -6.04827  1.000 15.37033 ? 56  LEU A HD11 1 
ATOM   905  H  HD12 . LEU A 1 64  ? -7.08565  7.88540   -6.73416  1.000 15.37033 ? 56  LEU A HD12 1 
ATOM   906  H  HD13 . LEU A 1 64  ? -7.37969  6.34808   -7.00566  1.000 15.37033 ? 56  LEU A HD13 1 
ATOM   907  H  HD21 . LEU A 1 64  ? -8.09618  5.70045   -4.20487  1.000 14.72199 ? 56  LEU A HD21 1 
ATOM   908  H  HD22 . LEU A 1 64  ? -7.05879  4.70412   -4.87916  1.000 14.72199 ? 56  LEU A HD22 1 
ATOM   909  H  HD23 . LEU A 1 64  ? -6.68700  5.43790   -3.52017  1.000 14.72199 ? 56  LEU A HD23 1 
ATOM   910  N  N    . ASN A 1 65  ? -2.69704  4.50560   -5.54816  1.000 10.66496 ? 57  ASN A N    1 
ATOM   911  C  CA   A ASN A 1 65  ? -1.77091  3.92178   -6.50990  0.503 11.22890 ? 57  ASN A CA   1 
ATOM   912  C  CA   B ASN A 1 65  ? -1.76516  3.95729   -6.52192  0.497 11.09625 ? 57  ASN A CA   1 
ATOM   913  C  C    . ASN A 1 65  ? -2.57249  3.52048   -7.74454  1.000 10.41360 ? 57  ASN A C    1 
ATOM   914  O  O    . ASN A 1 65  ? -3.43198  2.65208   -7.64950  1.000 11.73005 ? 57  ASN A O    1 
ATOM   915  C  CB   A ASN A 1 65  ? -1.11770  2.69494   -5.86992  0.503 12.16668 ? 57  ASN A CB   1 
ATOM   916  C  CB   B ASN A 1 65  ? -0.95429  2.78946   -5.95980  0.497 11.88699 ? 57  ASN A CB   1 
ATOM   917  C  CG   A ASN A 1 65  ? -0.24421  1.90668   -6.82921  0.503 13.25826 ? 57  ASN A CG   1 
ATOM   918  C  CG   B ASN A 1 65  ? -0.10367  2.12170   -7.02034  0.497 12.80646 ? 57  ASN A CG   1 
ATOM   919  O  OD1  A ASN A 1 65  ? -0.03856  2.29241   -7.98278  0.503 13.05166 ? 57  ASN A OD1  1 
ATOM   920  O  OD1  B ASN A 1 65  ? -0.58574  1.70947   -8.07921  0.497 12.08423 ? 57  ASN A OD1  1 
ATOM   921  N  ND2  A ASN A 1 65  ? 0.27287   0.79195   -6.35364  0.503 15.83370 ? 57  ASN A ND2  1 
ATOM   922  N  ND2  B ASN A 1 65  ? 1.14719   2.03436   -6.76214  0.497 14.24923 ? 57  ASN A ND2  1 
ATOM   923  H  H    A ASN A 1 65  ? -3.17334  3.91021   -5.15037  0.503 12.79795 ? 57  ASN A H    1 
ATOM   924  H  H    B ASN A 1 65  ? -3.16659  3.90409   -5.15154  0.497 12.79795 ? 57  ASN A H    1 
ATOM   925  H  HA   A ASN A 1 65  ? -1.08452  4.55223   -6.77878  0.503 13.47468 ? 57  ASN A HA   1 
ATOM   926  H  HA   B ASN A 1 65  ? -1.12945  4.64305   -6.77980  0.497 13.31550 ? 57  ASN A HA   1 
ATOM   927  H  HB2  A ASN A 1 65  ? -0.56026  2.98599   -5.13138  0.503 14.60001 ? 57  ASN A HB2  1 
ATOM   928  H  HB2  B ASN A 1 65  ? -0.36559  3.11725   -5.26204  0.497 14.26438 ? 57  ASN A HB2  1 
ATOM   929  H  HB3  A ASN A 1 65  ? -1.81390  2.10197   -5.54649  0.503 14.60001 ? 57  ASN A HB3  1 
ATOM   930  H  HB3  B ASN A 1 65  ? -1.56148  2.12573   -5.59691  0.497 14.26438 ? 57  ASN A HB3  1 
ATOM   931  H  HD21 A ASN A 1 65  ? 0.77605   0.30435   -6.85230  0.503 19.00044 ? 57  ASN A HD21 1 
ATOM   932  H  HD21 B ASN A 1 65  ? 1.67835   1.66459   -7.32847  0.497 17.09908 ? 57  ASN A HD21 1 
ATOM   933  H  HD22 A ASN A 1 65  ? 0.10718   0.55198   -5.54460  0.503 19.00044 ? 57  ASN A HD22 1 
ATOM   934  H  HD22 B ASN A 1 65  ? 1.45630   2.34546   -6.02237  0.497 17.09908 ? 57  ASN A HD22 1 
ATOM   935  N  N    . GLN A 1 66  ? -2.29858  4.16276   -8.87882  1.000 10.84933 ? 58  GLN A N    1 
ATOM   936  C  CA   . GLN A 1 66  ? -2.96297  3.86002   -10.13979 1.000 11.09903 ? 58  GLN A CA   1 
ATOM   937  C  C    . GLN A 1 66  ? -1.96018  3.38100   -11.18385 1.000 11.57697 ? 58  GLN A C    1 
ATOM   938  O  O    . GLN A 1 66  ? -2.17398  3.53440   -12.38695 1.000 11.99205 ? 58  GLN A O    1 
ATOM   939  C  CB   . GLN A 1 66  ? -3.76219  5.04354   -10.68019 1.000 11.67671 ? 58  GLN A CB   1 
ATOM   940  C  CG   . GLN A 1 66  ? -4.89324  5.43979   -9.72712  1.000 11.70702 ? 58  GLN A CG   1 
ATOM   941  C  CD   . GLN A 1 66  ? -5.86486  6.35460   -10.42246 1.000 11.57657 ? 58  GLN A CD   1 
ATOM   942  O  OE1  . GLN A 1 66  ? -6.58155  5.93625   -11.31979 1.000 11.85668 ? 58  GLN A OE1  1 
ATOM   943  N  NE2  . GLN A 1 66  ? -5.85699  7.63132   -10.04766 1.000 12.11412 ? 58  GLN A NE2  1 
ATOM   944  H  H    . GLN A 1 66  ? -1.71686  4.79299   -8.94204  1.000 13.01920 ? 58  GLN A H    1 
ATOM   945  H  HA   . GLN A 1 66  ? -3.60056  3.14962   -9.96747  1.000 13.31883 ? 58  GLN A HA   1 
ATOM   946  H  HB2  . GLN A 1 66  ? -3.17230  5.80597   -10.78808 1.000 14.01205 ? 58  GLN A HB2  1 
ATOM   947  H  HB3  . GLN A 1 66  ? -4.15292  4.80284   -11.53476 1.000 14.01205 ? 58  GLN A HB3  1 
ATOM   948  H  HG2  . GLN A 1 66  ? -5.36814  4.64520   -9.43729  1.000 14.04842 ? 58  GLN A HG2  1 
ATOM   949  H  HG3  . GLN A 1 66  ? -4.52448  5.90435   -8.95959  1.000 14.04842 ? 58  GLN A HG3  1 
ATOM   950  H  HE21 . GLN A 1 66  ? -5.31394  7.89650   -9.43579  1.000 14.53695 ? 58  GLN A HE21 1 
ATOM   951  H  HE22 . GLN A 1 66  ? -6.39495  8.19130   -10.41728 1.000 14.53695 ? 58  GLN A HE22 1 
ATOM   952  N  N    . ASP A 1 67  ? -0.89299  2.71901   -10.73750 1.000 11.95131 ? 59  ASP A N    1 
ATOM   953  C  CA   . ASP A 1 67  ? 0.04606   2.13587   -11.70188 1.000 13.12366 ? 59  ASP A CA   1 
ATOM   954  C  C    . ASP A 1 67  ? -0.61545  1.22253   -12.70522 1.000 12.38909 ? 59  ASP A C    1 
ATOM   955  O  O    . ASP A 1 67  ? -0.13230  1.10847   -13.83411 1.000 14.26180 ? 59  ASP A O    1 
ATOM   956  C  CB   . ASP A 1 67  ? 1.12103   1.36367   -10.93868 1.000 14.69222 ? 59  ASP A CB   1 
ATOM   957  C  CG   . ASP A 1 67  ? 2.11451   2.24380   -10.18360 1.000 16.56060 ? 59  ASP A CG   1 
ATOM   958  O  OD1  . ASP A 1 67  ? 2.02925   3.51509   -10.28791 1.000 19.25771 ? 59  ASP A OD1  1 
ATOM   959  O  OD2  . ASP A 1 67  ? 2.84585   1.65381   -9.34009  1.000 17.93275 ? 59  ASP A OD2  1 
ATOM   960  H  H    . ASP A 1 67  ? -0.69371  2.59574   -9.91004  1.000 14.34158 ? 59  ASP A H    1 
ATOM   961  H  HA   . ASP A 1 67  ? 0.45185   2.85929   -12.20476 1.000 15.74839 ? 59  ASP A HA   1 
ATOM   962  H  HB2  . ASP A 1 67  ? 0.68697   0.78849   -10.28933 1.000 17.63067 ? 59  ASP A HB2  1 
ATOM   963  H  HB3  . ASP A 1 67  ? 1.62565   0.82849   -11.57101 1.000 17.63067 ? 59  ASP A HB3  1 
ATOM   964  N  N    . ASP A 1 68  ? -1.68202  0.53900   -12.32666 1.000 11.79810 ? 60  ASP A N    1 
ATOM   965  C  CA   . ASP A 1 68  ? -2.30872  -0.44422  -13.18725 1.000 12.35154 ? 60  ASP A CA   1 
ATOM   966  C  C    . ASP A 1 68  ? -3.30781  0.15090   -14.17490 1.000 12.30693 ? 60  ASP A C    1 
ATOM   967  O  O    . ASP A 1 68  ? -3.85549  -0.58811  -14.98921 1.000 15.40821 ? 60  ASP A O    1 
ATOM   968  C  CB   . ASP A 1 68  ? -2.99501  -1.52381  -12.36525 1.000 13.01535 ? 60  ASP A CB   1 
ATOM   969  C  CG   . ASP A 1 68  ? -2.03786  -2.34319  -11.52784 1.000 14.86312 ? 60  ASP A CG   1 
ATOM   970  O  OD1  . ASP A 1 68  ? -0.81860  -2.27597  -11.68936 1.000 16.09414 ? 60  ASP A OD1  1 
ATOM   971  O  OD2  . ASP A 1 68  ? -2.53548  -3.20719  -10.77012 1.000 18.13506 ? 60  ASP A OD2  1 
ATOM   972  H  H    . ASP A 1 68  ? -2.06722  0.62880   -11.56301 1.000 14.15773 ? 60  ASP A H    1 
ATOM   973  H  HA   . ASP A 1 68  ? -1.60378  -0.86725  -13.70204 1.000 14.82185 ? 60  ASP A HA   1 
ATOM   974  H  HB2  . ASP A 1 68  ? -3.63040  -1.10390  -11.76454 1.000 15.61843 ? 60  ASP A HB2  1 
ATOM   975  H  HB3  . ASP A 1 68  ? -3.45679  -2.12921  -12.96621 1.000 15.61843 ? 60  ASP A HB3  1 
ATOM   976  N  N    . GLN A 1 69  ? -3.57855  1.45263   -14.10165 1.000 11.72703 ? 61  GLN A N    1 
ATOM   977  C  CA   . GLN A 1 69  ? -4.45736  2.08483   -15.07119 1.000 12.40819 ? 61  GLN A CA   1 
ATOM   978  C  C    . GLN A 1 69  ? -3.62343  2.58142   -16.24948 1.000 12.43156 ? 61  GLN A C    1 
ATOM   979  O  O    . GLN A 1 69  ? -2.45231  2.90501   -16.09246 1.000 14.27418 ? 61  GLN A O    1 
ATOM   980  C  CB   . GLN A 1 69  ? -5.26643  3.22178   -14.43450 1.000 12.93872 ? 61  GLN A CB   1 
ATOM   981  C  CG   . GLN A 1 69  ? -4.60637  4.56051   -14.35678 1.000 13.24481 ? 61  GLN A CG   1 
ATOM   982  C  CD   . GLN A 1 69  ? -4.69635  5.34348   -15.65882 1.000 12.78879 ? 61  GLN A CD   1 
ATOM   983  O  OE1  . GLN A 1 69  ? -5.73684  5.36892   -16.28803 1.000 12.75612 ? 61  GLN A OE1  1 
ATOM   984  N  NE2  . GLN A 1 69  ? -3.63345  6.01920   -16.01428 1.000 15.47235 ? 61  GLN A NE2  1 
ATOM   985  H  H    . GLN A 1 69  ? -3.26557  1.98396   -13.50220 1.000 14.07243 ? 61  GLN A H    1 
ATOM   986  H  HA   . GLN A 1 69  ? -5.10860  1.44797   -15.40465 1.000 14.88983 ? 61  GLN A HA   1 
ATOM   987  H  HB2  . GLN A 1 69  ? -6.07910  3.33699   -14.95142 1.000 15.52646 ? 61  GLN A HB2  1 
ATOM   988  H  HB3  . GLN A 1 69  ? -5.48519  2.96142   -13.52606 1.000 15.52646 ? 61  GLN A HB3  1 
ATOM   989  H  HG2  . GLN A 1 69  ? -5.03625  5.08418   -13.66261 1.000 15.89377 ? 61  GLN A HG2  1 
ATOM   990  H  HG3  . GLN A 1 69  ? -3.66756  4.43741   -14.14612 1.000 15.89377 ? 61  GLN A HG3  1 
ATOM   991  H  HE21 . GLN A 1 69  ? -2.93013  6.00595   -15.51954 1.000 18.56682 ? 61  GLN A HE21 1 
ATOM   992  H  HE22 . GLN A 1 69  ? -3.63830  6.47650   -16.74261 1.000 18.56682 ? 61  GLN A HE22 1 
ATOM   993  N  N    . SER A 1 70  ? -4.26080  2.67043   -17.42273 1.000 12.17591 ? 62  SER A N    1 
ATOM   994  C  CA   . SER A 1 70  ? -3.61705  3.23780   -18.60391 1.000 13.06182 ? 62  SER A CA   1 
ATOM   995  C  C    . SER A 1 70  ? -4.40474  4.29419   -19.34331 1.000 13.02125 ? 62  SER A C    1 
ATOM   996  O  O    . SER A 1 70  ? -3.81492  5.11418   -20.02370 1.000 15.30658 ? 62  SER A O    1 
ATOM   997  C  CB   . SER A 1 70  ? -3.18889  2.13841   -19.56616 1.000 13.97275 ? 62  SER A CB   1 
ATOM   998  O  OG   . SER A 1 70  ? -4.30780  1.46064   -20.11894 1.000 14.11576 ? 62  SER A OG   1 
ATOM   999  H  H    . SER A 1 70  ? -5.06854  2.40750   -17.55698 1.000 14.61109 ? 62  SER A H    1 
ATOM   1000 H  HA   . SER A 1 70  ? -2.83865  3.70604   -18.26367 1.000 15.67418 ? 62  SER A HA   1 
ATOM   1001 H  HB2  . SER A 1 70  ? -2.67696  2.53643   -20.28755 1.000 16.76730 ? 62  SER A HB2  1 
ATOM   1002 H  HB3  . SER A 1 70  ? -2.64180  1.49782   -19.08528 1.000 16.76730 ? 62  SER A HB3  1 
ATOM   1003 H  HG   . SER A 1 70  ? -4.75461  1.09744   -19.50734 1.000 16.93892 ? 62  SER A HG   1 
ATOM   1004 N  N    . PHE A 1 71  ? -5.71355  4.28729   -19.27394 1.000 12.61181 ? 63  PHE A N    1 
ATOM   1005 C  CA   . PHE A 1 71  ? -6.49536  5.17060   -20.11425 1.000 13.26510 ? 63  PHE A CA   1 
ATOM   1006 C  C    . PHE A 1 71  ? -6.33187  6.63305   -19.76071 1.000 13.02355 ? 63  PHE A C    1 
ATOM   1007 O  O    . PHE A 1 71  ? -6.33851  7.48683   -20.67187 1.000 14.71078 ? 63  PHE A O    1 
ATOM   1008 C  CB   . PHE A 1 71  ? -7.94817  4.72795   -20.09188 1.000 14.22769 ? 63  PHE A CB   1 
ATOM   1009 C  CG   . PHE A 1 71  ? -8.88242  5.68703   -20.75180 1.000 16.86165 ? 63  PHE A CG   1 
ATOM   1010 C  CD1  . PHE A 1 71  ? -9.03986  5.75179   -22.11089 1.000 20.98201 ? 63  PHE A CD1  1 
ATOM   1011 C  CD2  . PHE A 1 71  ? -9.50425  6.64656   -19.95741 1.000 18.66853 ? 63  PHE A CD2  1 
ATOM   1012 C  CE1  . PHE A 1 71  ? -9.86890  6.68945   -22.67886 1.000 24.18033 ? 63  PHE A CE1  1 
ATOM   1013 C  CE2  . PHE A 1 71  ? -10.30926 7.58498   -20.49907 1.000 21.73175 ? 63  PHE A CE2  1 
ATOM   1014 C  CZ   . PHE A 1 71  ? -10.49563 7.60074   -21.85622 1.000 23.98124 ? 63  PHE A CZ   1 
ATOM   1015 H  H    . PHE A 1 71  ? -6.17705  3.78459   -18.75233 1.000 15.13417 ? 63  PHE A H    1 
ATOM   1016 H  HA   . PHE A 1 71  ? -6.17281  5.09614   -21.02602 1.000 15.91812 ? 63  PHE A HA   1 
ATOM   1017 H  HB2  . PHE A 1 71  ? -8.02195  3.87824   -20.55390 1.000 17.07322 ? 63  PHE A HB2  1 
ATOM   1018 H  HB3  . PHE A 1 71  ? -8.22942  4.62919   -19.16882 1.000 17.07322 ? 63  PHE A HB3  1 
ATOM   1019 H  HD1  . PHE A 1 71  ? -8.58043  5.15433   -22.65574 1.000 25.17841 ? 63  PHE A HD1  1 
ATOM   1020 H  HD2  . PHE A 1 71  ? -9.36262  6.64086   -19.03828 1.000 22.40223 ? 63  PHE A HD2  1 
ATOM   1021 H  HE1  . PHE A 1 71  ? -10.00415 6.70866   -23.59878 1.000 29.01640 ? 63  PHE A HE1  1 
ATOM   1022 H  HE2  . PHE A 1 71  ? -10.73176 8.21251   -19.95814 1.000 26.07810 ? 63  PHE A HE2  1 
ATOM   1023 H  HZ   . PHE A 1 71  ? -11.05735 8.24036   -22.23072 1.000 28.77749 ? 63  PHE A HZ   1 
ATOM   1024 N  N    . LEU A 1 72  ? -6.25315  6.97615   -18.48000 1.000 12.82543 ? 64  LEU A N    1 
ATOM   1025 C  CA   . LEU A 1 72  ? -6.09307  8.38870   -18.11519 1.000 13.27462 ? 64  LEU A CA   1 
ATOM   1026 C  C    . LEU A 1 72  ? -4.69145  8.88194   -18.41984 1.000 14.07363 ? 64  LEU A C    1 
ATOM   1027 O  O    . LEU A 1 72  ? -3.71695  8.18356   -18.16081 1.000 15.27055 ? 64  LEU A O    1 
ATOM   1028 C  CB   . LEU A 1 72  ? -6.34888  8.56309   -16.61182 1.000 12.24799 ? 64  LEU A CB   1 
ATOM   1029 C  CG   . LEU A 1 72  ? -7.76498  8.18771   -16.12822 1.000 12.78220 ? 64  LEU A CG   1 
ATOM   1030 C  CD1  . LEU A 1 72  ? -7.79212  8.17866   -14.60601 1.000 12.25426 ? 64  LEU A CD1  1 
ATOM   1031 C  CD2  . LEU A 1 72  ? -8.84023  9.10060   -16.68977 1.000 13.70795 ? 64  LEU A CD2  1 
ATOM   1032 H  H    . LEU A 1 72  ? -6.28827  6.42925   -17.81723 1.000 15.39052 ? 64  LEU A H    1 
ATOM   1033 H  HA   . LEU A 1 72  ? -6.72650  8.91629   -18.62638 1.000 15.92954 ? 64  LEU A HA   1 
ATOM   1034 H  HB2  . LEU A 1 72  ? -5.72097  8.00257   -16.12968 1.000 14.69759 ? 64  LEU A HB2  1 
ATOM   1035 H  HB3  . LEU A 1 72  ? -6.20373  9.49495   -16.38495 1.000 14.69759 ? 64  LEU A HB3  1 
ATOM   1036 H  HG   . LEU A 1 72  ? -7.97713  7.30072   -16.45858 1.000 15.33864 ? 64  LEU A HG   1 
ATOM   1037 H  HD11 . LEU A 1 72  ? -8.68177  7.93308   -14.30747 1.000 14.70511 ? 64  LEU A HD11 1 
ATOM   1038 H  HD12 . LEU A 1 72  ? -7.14464  7.53292   -14.28245 1.000 14.70511 ? 64  LEU A HD12 1 
ATOM   1039 H  HD13 . LEU A 1 72  ? -7.56685  9.06434   -14.28087 1.000 14.70511 ? 64  LEU A HD13 1 
ATOM   1040 H  HD21 . LEU A 1 72  ? -9.70205  8.82642   -16.33908 1.000 16.44954 ? 64  LEU A HD21 1 
ATOM   1041 H  HD22 . LEU A 1 72  ? -8.65002  10.01370  -16.42336 1.000 16.44954 ? 64  LEU A HD22 1 
ATOM   1042 H  HD23 . LEU A 1 72  ? -8.83960  9.03137   -17.65729 1.000 16.44954 ? 64  LEU A HD23 1 
ATOM   1043 N  N    . ASP A 1 73  ? -4.58180  10.10413  -18.94356 1.000 15.56733 ? 65  ASP A N    1 
ATOM   1044 C  CA   . ASP A 1 73  ? -3.25967  10.68448  -19.16071 1.000 17.42977 ? 65  ASP A CA   1 
ATOM   1045 C  C    . ASP A 1 73  ? -2.72570  11.30260  -17.88396 1.000 17.60518 ? 65  ASP A C    1 
ATOM   1046 O  O    . ASP A 1 73  ? -3.42187  11.38250  -16.86266 1.000 16.55419 ? 65  ASP A O    1 
ATOM   1047 C  CB   . ASP A 1 73  ? -3.22459  11.61284  -20.35887 1.000 20.04697 ? 65  ASP A CB   1 
ATOM   1048 C  CG   . ASP A 1 73  ? -4.05910  12.86319  -20.24208 1.000 22.65936 ? 65  ASP A CG   1 
ATOM   1049 O  OD1  . ASP A 1 73  ? -4.25152  13.36778  -19.13424 1.000 21.37069 ? 65  ASP A OD1  1 
ATOM   1050 O  OD2  . ASP A 1 73  ? -4.45282  13.40454  -21.31502 1.000 27.36083 ? 65  ASP A OD2  1 
ATOM   1051 H  H    . ASP A 1 73  ? -5.24236  10.60374  -19.17517 1.000 18.68079 ? 65  ASP A H    1 
ATOM   1052 H  HA   . ASP A 1 73  ? -2.63944  9.97614   -19.39407 1.000 20.91572 ? 65  ASP A HA   1 
ATOM   1053 H  HB2  . ASP A 1 73  ? -2.30666  11.89231  -20.50101 1.000 24.05637 ? 65  ASP A HB2  1 
ATOM   1054 H  HB3  . ASP A 1 73  ? -3.54615  11.12404  -21.13255 1.000 24.05637 ? 65  ASP A HB3  1 
ATOM   1055 N  N    . ASP A 1 74  ? -1.45846  11.71588  -17.92788 1.000 20.35764 ? 66  ASP A N    1 
ATOM   1056 C  CA   . ASP A 1 74  ? -0.80172  12.19197  -16.71270 1.000 22.46016 ? 66  ASP A CA   1 
ATOM   1057 C  C    . ASP A 1 74  ? -1.46975  13.43986  -16.17804 1.000 20.09947 ? 66  ASP A C    1 
ATOM   1058 O  O    . ASP A 1 74  ? -1.61994  13.59389  -14.95902 1.000 20.58995 ? 66  ASP A O    1 
ATOM   1059 C  CB   . ASP A 1 74  ? 0.67137   12.46090  -16.97750 1.000 26.64652 ? 66  ASP A CB   1 
ATOM   1060 C  CG   . ASP A 1 74  ? 1.46163   11.19138  -17.20848 1.000 31.42716 ? 66  ASP A CG   1 
ATOM   1061 O  OD1  . ASP A 1 74  ? 0.90756   10.09249  -17.03229 1.000 33.16315 ? 66  ASP A OD1  1 
ATOM   1062 O  OD2  . ASP A 1 74  ? 2.65100   11.30299  -17.57567 1.000 33.23773 ? 66  ASP A OD2  1 
ATOM   1063 H  H    . ASP A 1 74  ? -0.96720  11.73040  -18.63360 1.000 24.42917 ? 66  ASP A H    1 
ATOM   1064 H  HA   . ASP A 1 74  ? -0.86672  11.49731  -16.03881 1.000 26.95219 ? 66  ASP A HA   1 
ATOM   1065 H  HB2  . ASP A 1 74  ? 0.75484   13.01522  -17.76912 1.000 31.97582 ? 66  ASP A HB2  1 
ATOM   1066 H  HB3  . ASP A 1 74  ? 1.05278   12.91724  -16.21123 1.000 31.97582 ? 66  ASP A HB3  1 
ATOM   1067 N  N    . ASP A 1 75  ? -1.93854  14.31174  -17.06775 1.000 19.86803 ? 67  ASP A N    1 
ATOM   1068 C  CA   . ASP A 1 75  ? -2.65284  15.50193  -16.61363 1.000 20.29324 ? 67  ASP A CA   1 
ATOM   1069 C  C    . ASP A 1 75  ? -3.94485  15.12249  -15.90013 1.000 18.41316 ? 67  ASP A C    1 
ATOM   1070 O  O    . ASP A 1 75  ? -4.29303  15.72401  -14.87852 1.000 19.09922 ? 67  ASP A O    1 
ATOM   1071 C  CB   . ASP A 1 75  ? -2.95719  16.43223  -17.79927 1.000 24.48242 ? 67  ASP A CB   1 
ATOM   1072 C  CG   . ASP A 1 75  ? -1.73389  17.16912  -18.32453 1.000 28.66218 ? 67  ASP A CG   1 
ATOM   1073 O  OD1  . ASP A 1 75  ? -0.68465  17.21104  -17.64030 1.000 28.22642 ? 67  ASP A OD1  1 
ATOM   1074 O  OD2  . ASP A 1 75  ? -1.81968  17.69092  -19.45562 1.000 34.93425 ? 67  ASP A OD2  1 
ATOM   1075 H  H    . ASP A 1 75  ? -1.85872  14.24009  -17.92103 1.000 23.84163 ? 67  ASP A H    1 
ATOM   1076 H  HA   . ASP A 1 75  ? -2.08483  15.98454  -15.99285 1.000 24.35189 ? 67  ASP A HA   1 
ATOM   1077 H  HB2  . ASP A 1 75  ? -3.31974  15.90325  -18.52704 1.000 29.37890 ? 67  ASP A HB2  1 
ATOM   1078 H  HB3  . ASP A 1 75  ? -3.60512  17.09675  -17.51732 1.000 29.37890 ? 67  ASP A HB3  1 
ATOM   1079 N  N    . GLN A 1 76  ? -4.66846  14.13334  -16.42431 1.000 16.90006 ? 68  GLN A N    1 
ATOM   1080 C  CA   . GLN A 1 76  ? -5.91817  13.69227  -15.79108 1.000 15.47532 ? 68  GLN A CA   1 
ATOM   1081 C  C    . GLN A 1 76  ? -5.66199  13.12295  -14.41288 1.000 14.96343 ? 68  GLN A C    1 
ATOM   1082 O  O    . GLN A 1 76  ? -6.40893  13.40688  -13.46407 1.000 14.67041 ? 68  GLN A O    1 
ATOM   1083 C  CB   . GLN A 1 76  ? -6.63859  12.69173  -16.68934 1.000 14.84601 ? 68  GLN A CB   1 
ATOM   1084 C  CG   . GLN A 1 76  ? -7.24051  13.36073  -17.90461 1.000 16.29006 ? 68  GLN A CG   1 
ATOM   1085 C  CD   . GLN A 1 76  ? -7.76219  12.36211  -18.92888 1.000 16.51689 ? 68  GLN A CD   1 
ATOM   1086 O  OE1  . GLN A 1 76  ? -7.10670  11.38944  -19.30037 1.000 16.63834 ? 68  GLN A OE1  1 
ATOM   1087 N  NE2  . GLN A 1 76  ? -8.95405  12.61131  -19.39399 1.000 18.83975 ? 68  GLN A NE2  1 
ATOM   1088 H  H    . GLN A 1 76  ? -4.46331  13.70220  -17.13959 1.000 20.28007 ? 68  GLN A H    1 
ATOM   1089 H  HA   . GLN A 1 76  ? -6.50693  14.45558  -15.68325 1.000 18.57038 ? 68  GLN A HA   1 
ATOM   1090 H  HB2  . GLN A 1 76  ? -6.00620  12.02162  -16.99254 1.000 17.81521 ? 68  GLN A HB2  1 
ATOM   1091 H  HB3  . GLN A 1 76  ? -7.35407  12.27001  -16.18820 1.000 17.81521 ? 68  GLN A HB3  1 
ATOM   1092 H  HG2  . GLN A 1 76  ? -7.98324  13.91770  -17.62346 1.000 19.54807 ? 68  GLN A HG2  1 
ATOM   1093 H  HG3  . GLN A 1 76  ? -6.56211  13.90464  -18.33454 1.000 19.54807 ? 68  GLN A HG3  1 
ATOM   1094 H  HE21 . GLN A 1 76  ? -9.38737  13.30137  -19.11894 1.000 22.60770 ? 68  GLN A HE21 1 
ATOM   1095 H  HE22 . GLN A 1 76  ? -9.30712  12.08566  -19.97592 1.000 22.60770 ? 68  GLN A HE22 1 
ATOM   1096 N  N    . ILE A 1 77  ? -4.61341  12.31762  -14.26741 1.000 15.42222 ? 69  ILE A N    1 
ATOM   1097 C  CA   . ILE A 1 77  ? -4.24674  11.82205  -12.94485 1.000 16.37551 ? 69  ILE A CA   1 
ATOM   1098 C  C    . ILE A 1 77  ? -3.94757  12.98781  -12.01536 1.000 17.17589 ? 69  ILE A C    1 
ATOM   1099 O  O    . ILE A 1 77  ? -4.43132  13.02900  -10.87274 1.000 17.02900 ? 69  ILE A O    1 
ATOM   1100 C  CB   . ILE A 1 77  ? -3.06086  10.84859  -13.04595 1.000 17.96912 ? 69  ILE A CB   1 
ATOM   1101 C  CG1  . ILE A 1 77  ? -3.46806  9.60172   -13.83431 1.000 17.61916 ? 69  ILE A CG1  1 
ATOM   1102 C  CG2  . ILE A 1 77  ? -2.53200  10.53957  -11.64253 1.000 20.11069 ? 69  ILE A CG2  1 
ATOM   1103 C  CD1  . ILE A 1 77  ? -4.31937  8.65001   -13.06900 1.000 17.65527 ? 69  ILE A CD1  1 
ATOM   1104 H  H    . ILE A 1 77  ? -4.10613  12.04750  -14.90718 1.000 18.50666 ? 69  ILE A H    1 
ATOM   1105 H  HA   . ILE A 1 77  ? -4.99742  11.33186  -12.57459 1.000 19.65061 ? 69  ILE A HA   1 
ATOM   1106 H  HB   . ILE A 1 77  ? -2.33230  11.25555  -13.54041 1.000 21.56295 ? 69  ILE A HB   1 
ATOM   1107 H  HG12 . ILE A 1 77  ? -3.96767  9.87923   -14.61806 1.000 21.14299 ? 69  ILE A HG12 1 
ATOM   1108 H  HG13 . ILE A 1 77  ? -2.66524  9.12830   -14.10310 1.000 21.14299 ? 69  ILE A HG13 1 
ATOM   1109 H  HG21 . ILE A 1 77  ? -1.99652  9.73153   -11.67767 1.000 24.13283 ? 69  ILE A HG21 1 
ATOM   1110 H  HG22 . ILE A 1 77  ? -1.98863  11.28353  -11.33891 1.000 24.13283 ? 69  ILE A HG22 1 
ATOM   1111 H  HG23 . ILE A 1 77  ? -3.28363  10.41246  -11.04270 1.000 24.13283 ? 69  ILE A HG23 1 
ATOM   1112 H  HD11 . ILE A 1 77  ? -4.62242  7.94757   -13.66535 1.000 21.18633 ? 69  ILE A HD11 1 
ATOM   1113 H  HD12 . ILE A 1 77  ? -3.79584  8.26814   -12.34721 1.000 21.18633 ? 69  ILE A HD12 1 
ATOM   1114 H  HD13 . ILE A 1 77  ? -5.08164  9.12865   -12.70740 1.000 21.18633 ? 69  ILE A HD13 1 
ATOM   1115 N  N    . ASP A 1 78  ? -3.17651  13.97352  -12.49530 1.000 18.37698 ? 70  ASP A N    1 
ATOM   1116 C  CA   . ASP A 1 78  ? -2.81261  15.09182  -11.63186 1.000 19.81024 ? 70  ASP A CA   1 
ATOM   1117 C  C    . ASP A 1 78  ? -4.04005  15.88476  -11.19426 1.000 18.20572 ? 70  ASP A C    1 
ATOM   1118 O  O    . ASP A 1 78  ? -4.04213  16.49570  -10.12799 1.000 19.80455 ? 70  ASP A O    1 
ATOM   1119 C  CB   . ASP A 1 78  ? -1.78133  16.00250  -12.32345 1.000 24.01810 ? 70  ASP A CB   1 
ATOM   1120 C  CG   . ASP A 1 78  ? -0.39710  15.36259  -12.42258 1.000 31.53569 ? 70  ASP A CG   1 
ATOM   1121 O  OD1  . ASP A 1 78  ? -0.09428  14.42296  -11.64816 1.000 33.28957 ? 70  ASP A OD1  1 
ATOM   1122 O  OD2  . ASP A 1 78  ? 0.39354   15.81774  -13.28065 1.000 35.66913 ? 70  ASP A OD2  1 
ATOM   1123 H  H    . ASP A 1 78  ? -2.86231  14.01327  -13.29486 1.000 22.05237 ? 70  ASP A H    1 
ATOM   1124 H  HA   . ASP A 1 78  ? -2.38860  14.74040  -10.83334 1.000 23.77229 ? 70  ASP A HA   1 
ATOM   1125 H  HB2  . ASP A 1 78  ? -2.08607  16.19819  -13.22330 1.000 28.82171 ? 70  ASP A HB2  1 
ATOM   1126 H  HB3  . ASP A 1 78  ? -1.69563  16.82475  -11.81604 1.000 28.82171 ? 70  ASP A HB3  1 
ATOM   1127 N  N    . GLU A 1 79  ? -5.07916  15.89308  -12.00432 1.000 17.21061 ? 71  GLU A N    1 
ATOM   1128 C  CA   A GLU A 1 79  ? -6.33634  16.56508  -11.74482 0.498 16.96788 ? 71  GLU A CA   1 
ATOM   1129 C  CA   B GLU A 1 79  ? -6.31034  16.60519  -11.68953 0.502 18.35864 ? 71  GLU A CA   1 
ATOM   1130 C  C    . GLU A 1 79  ? -7.28618  15.76646  -10.86241 1.000 16.67917 ? 71  GLU A C    1 
ATOM   1131 O  O    . GLU A 1 79  ? -8.38178  16.23317  -10.57476 1.000 19.18511 ? 71  GLU A O    1 
ATOM   1132 C  CB   A GLU A 1 79  ? -6.94859  16.83252  -13.11325 0.498 17.83730 ? 71  GLU A CB   1 
ATOM   1133 C  CB   B GLU A 1 79  ? -6.93071  17.19505  -12.98156 0.502 21.73168 ? 71  GLU A CB   1 
ATOM   1134 C  CG   A GLU A 1 79  ? -6.17613  17.92919  -13.85130 0.498 18.57705 ? 71  GLU A CG   1 
ATOM   1135 C  CG   B GLU A 1 79  ? -8.12054  16.46735  -13.61551 0.502 21.72759 ? 71  GLU A CG   1 
ATOM   1136 C  CD   A GLU A 1 79  ? -6.21792  17.80838  -15.37505 0.498 20.58222 ? 71  GLU A CD   1 
ATOM   1137 C  CD   B GLU A 1 79  ? -8.65937  17.09452  -14.93522 0.502 22.69614 ? 71  GLU A CD   1 
ATOM   1138 O  OE1  A GLU A 1 79  ? -7.10908  17.09113  -15.88606 0.498 20.77426 ? 71  GLU A OE1  1 
ATOM   1139 O  OE1  B GLU A 1 79  ? -8.21698  16.69223  -16.01095 0.502 22.62127 ? 71  GLU A OE1  1 
ATOM   1140 O  OE2  A GLU A 1 79  ? -5.36678  18.43312  -16.03851 0.498 23.85023 ? 71  GLU A OE2  1 
ATOM   1141 O  OE2  B GLU A 1 79  ? -9.57276  17.91808  -14.90851 0.502 24.88673 ? 71  GLU A OE2  1 
ATOM   1142 H  H    A GLU A 1 79  ? -5.08274  15.48916  -12.76356 0.498 20.65274 ? 71  GLU A H    1 
ATOM   1143 H  H    B GLU A 1 79  ? -5.10093  15.48552  -12.76131 0.502 20.65274 ? 71  GLU A H    1 
ATOM   1144 H  HA   A GLU A 1 79  ? -6.20174  17.39967  -11.26916 0.498 20.36146 ? 71  GLU A HA   1 
ATOM   1145 H  HA   B GLU A 1 79  ? -6.11912  17.37836  -11.13585 0.502 22.03037 ? 71  GLU A HA   1 
ATOM   1146 H  HB2  A GLU A 1 79  ? -6.91713  16.02193  -13.64510 0.498 21.40476 ? 71  GLU A HB2  1 
ATOM   1147 H  HB2  B GLU A 1 79  ? -7.23314  18.09402  -12.77833 0.502 26.07802 ? 71  GLU A HB2  1 
ATOM   1148 H  HB3  A GLU A 1 79  ? -7.86781  17.12258  -13.00464 0.498 21.40476 ? 71  GLU A HB3  1 
ATOM   1149 H  HB3  B GLU A 1 79  ? -6.23364  17.22394  -13.65547 0.502 26.07802 ? 71  GLU A HB3  1 
ATOM   1150 H  HG2  A GLU A 1 79  ? -6.55593  18.78971  -13.61432 0.498 22.29246 ? 71  GLU A HG2  1 
ATOM   1151 H  HG2  B GLU A 1 79  ? -7.85088  15.55764  -13.81706 0.502 26.07311 ? 71  GLU A HG2  1 
ATOM   1152 H  HG3  A GLU A 1 79  ? -5.24594  17.89078  -13.57897 0.498 22.29246 ? 71  GLU A HG3  1 
ATOM   1153 H  HG3  B GLU A 1 79  ? -8.85170  16.46314  -12.97811 0.502 26.07311 ? 71  GLU A HG3  1 
ATOM   1154 N  N    . GLY A 1 80  ? -6.90793  14.56564  -10.44019 1.000 14.42746 ? 72  GLY A N    1 
ATOM   1155 C  CA   . GLY A 1 80  ? -7.73201  13.78318  -9.53487  1.000 14.05593 ? 72  GLY A CA   1 
ATOM   1156 C  C    . GLY A 1 80  ? -8.59381  12.70406  -10.17195 1.000 11.90041 ? 72  GLY A C    1 
ATOM   1157 O  O    . GLY A 1 80  ? -9.37280  12.05827  -9.44522  1.000 12.17467 ? 72  GLY A O    1 
ATOM   1158 H  H    . GLY A 1 80  ? -6.17259  14.18156  -10.66680 1.000 17.31296 ? 72  GLY A H    1 
ATOM   1159 H  HA2  . GLY A 1 80  ? -7.15021  13.34774  -8.89237  1.000 16.86711 ? 72  GLY A HA2  1 
ATOM   1160 H  HA3  . GLY A 1 80  ? -8.32618  14.38803  -9.06369  1.000 16.86711 ? 72  GLY A HA3  1 
ATOM   1161 N  N    . TRP A 1 81  ? -8.45756  12.42458  -11.45412 1.000 11.62755 ? 73  TRP A N    1 
ATOM   1162 C  CA   . TRP A 1 81  ? -9.24231  11.34312  -12.03333 1.000 11.01973 ? 73  TRP A CA   1 
ATOM   1163 C  C    . TRP A 1 81  ? -8.72359  9.99661   -11.53081 1.000 10.11059 ? 73  TRP A C    1 
ATOM   1164 O  O    . TRP A 1 81  ? -7.53870  9.79297   -11.32244 1.000 11.12250 ? 73  TRP A O    1 
ATOM   1165 C  CB   . TRP A 1 81  ? -9.16274  11.43717  -13.56460 1.000 11.74112 ? 73  TRP A CB   1 
ATOM   1166 C  CG   . TRP A 1 81  ? -10.00572 12.51500  -14.09560 1.000 12.26164 ? 73  TRP A CG   1 
ATOM   1167 C  CD1  . TRP A 1 81  ? -9.63997  13.77317  -14.50650 1.000 14.39621 ? 73  TRP A CD1  1 
ATOM   1168 C  CD2  . TRP A 1 81  ? -11.40854 12.44362  -14.22711 1.000 13.06051 ? 73  TRP A CD2  1 
ATOM   1169 N  NE1  . TRP A 1 81  ? -10.75470 14.47868  -14.89624 1.000 15.32831 ? 73  TRP A NE1  1 
ATOM   1170 C  CE2  . TRP A 1 81  ? -11.85300 13.68055  -14.76538 1.000 14.78734 ? 73  TRP A CE2  1 
ATOM   1171 C  CE3  . TRP A 1 81  ? -12.35111 11.43001  -13.97030 1.000 13.59267 ? 73  TRP A CE3  1 
ATOM   1172 C  CZ2  . TRP A 1 81  ? -13.19311 13.92880  -14.99879 1.000 16.19077 ? 73  TRP A CZ2  1 
ATOM   1173 C  CZ3  . TRP A 1 81  ? -13.66128 11.64685  -14.25201 1.000 14.84165 ? 73  TRP A CZ3  1 
ATOM   1174 C  CH2  . TRP A 1 81  ? -14.08872 12.91106  -14.74002 1.000 15.59351 ? 73  TRP A CH2  1 
ATOM   1175 H  H    . TRP A 1 81  ? -7.93264  12.83278  -11.99949 1.000 13.95306 ? 73  TRP A H    1 
ATOM   1176 H  HA   . TRP A 1 81  ? -10.17566 11.40604  -11.77681 1.000 13.22368 ? 73  TRP A HA   1 
ATOM   1177 H  HB2  . TRP A 1 81  ? -8.24527  11.61340  -13.82555 1.000 14.08934 ? 73  TRP A HB2  1 
ATOM   1178 H  HB3  . TRP A 1 81  ? -9.46252  10.59952  -13.95108 1.000 14.08934 ? 73  TRP A HB3  1 
ATOM   1179 H  HD1  . TRP A 1 81  ? -8.76917  14.09940  -14.51936 1.000 17.27545 ? 73  TRP A HD1  1 
ATOM   1180 H  HE1  . TRP A 1 81  ? -10.75849 15.29155  -15.17700 1.000 18.39397 ? 73  TRP A HE1  1 
ATOM   1181 H  HE3  . TRP A 1 81  ? -12.07807 10.61726  -13.61005 1.000 16.31120 ? 73  TRP A HE3  1 
ATOM   1182 H  HZ2  . TRP A 1 81  ? -13.48099 14.75308  -15.31908 1.000 19.42892 ? 73  TRP A HZ2  1 
ATOM   1183 H  HZ3  . TRP A 1 81  ? -14.28137 10.96546  -14.12513 1.000 17.80998 ? 73  TRP A HZ3  1 
ATOM   1184 H  HH2  . TRP A 1 81  ? -14.99515 13.05641  -14.88886 1.000 18.71221 ? 73  TRP A HH2  1 
ATOM   1185 N  N    . VAL A 1 82  ? -9.65069  9.06042   -11.40795 1.000 10.09127 ? 74  VAL A N    1 
ATOM   1186 C  CA   A VAL A 1 82  ? -9.43897  7.70282   -10.91777 0.542 9.85574  ? 74  VAL A CA   1 
ATOM   1187 C  CA   B VAL A 1 82  ? -9.33657  7.70362   -10.98636 0.458 10.01326 ? 74  VAL A CA   1 
ATOM   1188 C  C    . VAL A 1 82  ? -10.16114 6.70417   -11.79738 1.000 9.44193  ? 74  VAL A C    1 
ATOM   1189 O  O    . VAL A 1 82  ? -11.33614 6.89913   -12.06543 1.000 11.27550 ? 74  VAL A O    1 
ATOM   1190 C  CB   A VAL A 1 82  ? -10.06327 7.54776   -9.52013  0.542 9.65137  ? 74  VAL A CB   1 
ATOM   1191 C  CB   B VAL A 1 82  ? -9.44803  7.47351   -9.44579  0.458 9.87655  ? 74  VAL A CB   1 
ATOM   1192 C  CG1  A VAL A 1 82  ? -9.84470  6.14081   -8.97713  0.542 9.47610  ? 74  VAL A CG1  1 
ATOM   1193 C  CG1  B VAL A 1 82  ? -10.77233 8.00587   -8.83341  0.458 10.76143 ? 74  VAL A CG1  1 
ATOM   1194 C  CG2  A VAL A 1 82  ? -9.55076  8.63313   -8.63510  0.542 10.45574 ? 74  VAL A CG2  1 
ATOM   1195 C  CG2  B VAL A 1 82  ? -9.26528  6.00819   -9.08761  0.458 10.03898 ? 74  VAL A CG2  1 
ATOM   1196 H  H    A VAL A 1 82  ? -10.47391 9.19484   -11.61733 0.542 12.10952 ? 74  VAL A H    1 
ATOM   1197 H  H    B VAL A 1 82  ? -10.48624 9.18858   -11.56615 0.458 12.10952 ? 74  VAL A H    1 
ATOM   1198 H  HA   A VAL A 1 82  ? -8.48515  7.52737   -10.93643 0.542 11.82689 ? 74  VAL A HA   1 
ATOM   1199 H  HA   B VAL A 1 82  ? -8.40582  7.54099   -11.20584 0.458 12.01592 ? 74  VAL A HA   1 
ATOM   1200 H  HB   A VAL A 1 82  ? -11.02723 7.64894   -9.55800  0.542 11.58164 ? 74  VAL A HB   1 
ATOM   1201 H  HB   B VAL A 1 82  ? -8.72816  7.98925   -9.04994  0.458 11.85186 ? 74  VAL A HB   1 
ATOM   1202 H  HG11 A VAL A 1 82  ? -10.05437 6.13169   -8.03010  0.542 11.37132 ? 74  VAL A HG11 1 
ATOM   1203 H  HG11 B VAL A 1 82  ? -10.79274 7.78909   -7.88817  0.458 12.91371 ? 74  VAL A HG11 1 
ATOM   1204 H  HG12 A VAL A 1 82  ? -10.42633 5.52567   -9.45063  0.542 11.37132 ? 74  VAL A HG12 1 
ATOM   1205 H  HG12 B VAL A 1 82  ? -10.81143 8.96766   -8.95313  0.458 12.91371 ? 74  VAL A HG12 1 
ATOM   1206 H  HG13 A VAL A 1 82  ? -8.91750  5.89034   -9.11306  0.542 11.37132 ? 74  VAL A HG13 1 
ATOM   1207 H  HG13 B VAL A 1 82  ? -11.52065 7.58559   -9.28539  0.458 12.91371 ? 74  VAL A HG13 1 
ATOM   1208 H  HG21 A VAL A 1 82  ? -9.77563  8.42312   -7.71520  0.542 12.54689 ? 74  VAL A HG21 1 
ATOM   1209 H  HG21 B VAL A 1 82  ? -9.22960  5.92115   -8.12218  0.458 12.04677 ? 74  VAL A HG21 1 
ATOM   1210 H  HG22 A VAL A 1 82  ? -8.58778  8.69354   -8.73470  0.542 12.54689 ? 74  VAL A HG22 1 
ATOM   1211 H  HG22 B VAL A 1 82  ? -10.01465 5.50162   -9.43793  0.458 12.04677 ? 74  VAL A HG22 1 
ATOM   1212 H  HG23 A VAL A 1 82  ? -9.96328  9.47225   -8.89316  0.542 12.54689 ? 74  VAL A HG23 1 
ATOM   1213 H  HG23 B VAL A 1 82  ? -8.43763  5.68817   -9.47939  0.458 12.04677 ? 74  VAL A HG23 1 
ATOM   1214 N  N    . LEU A 1 83  ? -9.50133  5.61298   -12.18649 1.000 9.02199  ? 75  LEU A N    1 
ATOM   1215 C  CA   . LEU A 1 83  ? -10.18988 4.44221   -12.72290 1.000 9.44992  ? 75  LEU A CA   1 
ATOM   1216 C  C    . LEU A 1 83  ? -10.29234 3.46494   -11.55590 1.000 9.56495  ? 75  LEU A C    1 
ATOM   1217 O  O    . LEU A 1 83  ? -9.32352  2.85581   -11.12391 1.000 9.67439  ? 75  LEU A O    1 
ATOM   1218 C  CB   . LEU A 1 83  ? -9.46427  3.85835   -13.94760 1.000 9.74901  ? 75  LEU A CB   1 
ATOM   1219 C  CG   . LEU A 1 83  ? -9.35872  4.84534   -15.10463 1.000 11.04975 ? 75  LEU A CG   1 
ATOM   1220 C  CD1  . LEU A 1 83  ? -8.77506  4.15497   -16.32875 1.000 11.89525 ? 75  LEU A CD1  1 
ATOM   1221 C  CD2  . LEU A 1 83  ? -10.66098 5.49998   -15.48264 1.000 12.49442 ? 75  LEU A CD2  1 
ATOM   1222 H  H    . LEU A 1 83  ? -8.64640  5.52791   -12.14841 1.000 10.82638 ? 75  LEU A H    1 
ATOM   1223 H  HA   . LEU A 1 83  ? -11.07967 4.67187   -13.03342 1.000 11.33991 ? 75  LEU A HA   1 
ATOM   1224 H  HB2  . LEU A 1 83  ? -8.56512  3.60347   -13.68786 1.000 11.69881 ? 75  LEU A HB2  1 
ATOM   1225 H  HB3  . LEU A 1 83  ? -9.95227  3.08060   -14.26044 1.000 11.69881 ? 75  LEU A HB3  1 
ATOM   1226 H  HG   . LEU A 1 83  ? -8.77533  5.55751   -14.79905 1.000 13.25970 ? 75  LEU A HG   1 
ATOM   1227 H  HD11 . LEU A 1 83  ? -8.44925  4.82864   -16.94593 1.000 14.27430 ? 75  LEU A HD11 1 
ATOM   1228 H  HD12 . LEU A 1 83  ? -8.04449  3.58125   -16.04943 1.000 14.27430 ? 75  LEU A HD12 1 
ATOM   1229 H  HD13 . LEU A 1 83  ? -9.46808  3.62520   -16.75298 1.000 14.27430 ? 75  LEU A HD13 1 
ATOM   1230 H  HD21 . LEU A 1 83  ? -10.53219 6.01311   -16.29566 1.000 14.99330 ? 75  LEU A HD21 1 
ATOM   1231 H  HD22 . LEU A 1 83  ? -11.32961 4.81241   -15.62786 1.000 14.99330 ? 75  LEU A HD22 1 
ATOM   1232 H  HD23 . LEU A 1 83  ? -10.94050 6.08630   -14.76223 1.000 14.99330 ? 75  LEU A HD23 1 
ATOM   1233 N  N    . THR A 1 84  ? -11.50728 3.37084   -11.01212 1.000 9.44179  ? 76  THR A N    1 
ATOM   1234 C  CA   . THR A 1 84  ? -11.73534 2.59804   -9.80049  1.000 9.55523  ? 76  THR A CA   1 
ATOM   1235 C  C    . THR A 1 84  ? -11.44116 1.10878   -9.94843  1.000 9.54925  ? 76  THR A C    1 
ATOM   1236 O  O    . THR A 1 84  ? -11.16343 0.45880   -8.92494  1.000 10.46808 ? 76  THR A O    1 
ATOM   1237 C  CB   . THR A 1 84  ? -13.13316 2.86906   -9.22181  1.000 10.68747 ? 76  THR A CB   1 
ATOM   1238 O  OG1  . THR A 1 84  ? -14.13547 2.52206   -10.18948 1.000 11.27297 ? 76  THR A OG1  1 
ATOM   1239 C  CG2  . THR A 1 84  ? -13.31219 4.30834   -8.77616  1.000 11.90525 ? 76  THR A CG2  1 
ATOM   1240 H  H    . THR A 1 84  ? -12.21369 3.74619   -11.32786 1.000 11.33014 ? 76  THR A H    1 
ATOM   1241 H  HA   . THR A 1 84  ? -11.10765 2.91225   -9.13103  1.000 11.46628 ? 76  THR A HA   1 
ATOM   1242 H  HB   . THR A 1 84  ? -13.24432 2.32150   -8.42889  1.000 12.82496 ? 76  THR A HB   1 
ATOM   1243 H  HG1  . THR A 1 84  ? -14.11245 3.06144   -10.83302 1.000 13.52756 ? 76  THR A HG1  1 
ATOM   1244 H  HG21 . THR A 1 84  ? -14.20099 4.43366   -8.40841  1.000 14.28629 ? 76  THR A HG21 1 
ATOM   1245 H  HG22 . THR A 1 84  ? -12.65629 4.52924   -8.09653  1.000 14.28629 ? 76  THR A HG22 1 
ATOM   1246 H  HG23 . THR A 1 84  ? -13.19674 4.90624   -9.53120  1.000 14.28629 ? 76  THR A HG23 1 
ATOM   1247 N  N    . CYS A 1 85  ? -11.48737 0.54112   -11.14576 1.000 9.84496  ? 77  CYS A N    1 
ATOM   1248 C  CA   . CYS A 1 85  ? -11.15275 -0.86858  -11.32823 1.000 10.83331 ? 77  CYS A CA   1 
ATOM   1249 C  C    . CYS A 1 85  ? -9.66890  -1.14818  -11.24017 1.000 10.69297 ? 77  CYS A C    1 
ATOM   1250 O  O    . CYS A 1 85  ? -9.28752  -2.32226  -11.24127 1.000 12.66654 ? 77  CYS A O    1 
ATOM   1251 C  CB   . CYS A 1 85  ? -11.68387 -1.39503  -12.65129 1.000 11.20959 ? 77  CYS A CB   1 
ATOM   1252 S  SG   . CYS A 1 85  ? -10.72173 -0.77888  -14.08415 1.000 10.62067 ? 77  CYS A SG   1 
ATOM   1253 H  H    . CYS A 1 85  ? -11.70910 0.94806   -11.87022 1.000 11.81395 ? 77  CYS A H    1 
ATOM   1254 H  HA   . CYS A 1 85  ? -11.59531 -1.36100  -10.61932 1.000 12.99997 ? 77  CYS A HA   1 
ATOM   1255 H  HB2  . CYS A 1 85  ? -11.63579 -2.36384  -12.64926 1.000 13.45151 ? 77  CYS A HB2  1 
ATOM   1256 H  HB3  . CYS A 1 85  ? -12.60428 -1.10877  -12.75988 1.000 13.45151 ? 77  CYS A HB3  1 
ATOM   1257 N  N    . ALA A 1 86  ? -8.81936  -0.11650  -11.19918 1.000 10.29980 ? 78  ALA A N    1 
ATOM   1258 C  CA   . ALA A 1 86  ? -7.37769  -0.26441  -11.35771 1.000 11.05373 ? 78  ALA A CA   1 
ATOM   1259 C  C    . ALA A 1 86  ? -6.61190  0.50288   -10.30107 1.000 11.23472 ? 78  ALA A C    1 
ATOM   1260 O  O    . ALA A 1 86  ? -5.39898  0.62921   -10.41170 1.000 14.20675 ? 78  ALA A O    1 
ATOM   1261 C  CB   . ALA A 1 86  ? -6.94076  0.14756   -12.75628 1.000 12.11131 ? 78  ALA A CB   1 
ATOM   1262 H  H    . ALA A 1 86  ? -9.06444  0.69878   -11.07731 1.000 12.35976 ? 78  ALA A H    1 
ATOM   1263 H  HA   . ALA A 1 86  ? -7.14154  -1.20024  -11.26100 1.000 13.26448 ? 78  ALA A HA   1 
ATOM   1264 H  HB1  . ALA A 1 86  ? -5.98358  0.01459   -12.84009 1.000 14.53357 ? 78  ALA A HB1  1 
ATOM   1265 H  HB2  . ALA A 1 86  ? -7.40882  -0.39860  -13.40707 1.000 14.53357 ? 78  ALA A HB2  1 
ATOM   1266 H  HB3  . ALA A 1 86  ? -7.15790  1.08312   -12.89222 1.000 14.53357 ? 78  ALA A HB3  1 
ATOM   1267 N  N    . ALA A 1 87  ? -7.27968  0.97143   -9.25515  1.000 10.02955 ? 79  ALA A N    1 
ATOM   1268 C  CA   . ALA A 1 87  ? -6.68432  1.82797   -8.24155  1.000 9.93518  ? 79  ALA A CA   1 
ATOM   1269 C  C    . ALA A 1 87  ? -6.67004  1.12636   -6.88189  1.000 9.98948  ? 79  ALA A C    1 
ATOM   1270 O  O    . ALA A 1 87  ? -7.67350  0.55604   -6.47410  1.000 10.91849 ? 79  ALA A O    1 
ATOM   1271 C  CB   . ALA A 1 87  ? -7.50405  3.10340   -8.11410  1.000 10.47812 ? 79  ALA A CB   1 
ATOM   1272 H  H    . ALA A 1 87  ? -8.10922  0.80004   -9.10654  1.000 12.03545 ? 79  ALA A H    1 
ATOM   1273 H  HA   . ALA A 1 87  ? -5.76727  2.02351   -8.48990  1.000 11.92222 ? 79  ALA A HA   1 
ATOM   1274 H  HB1  . ALA A 1 87  ? -7.10837  3.66609   -7.43019  1.000 12.57374 ? 79  ALA A HB1  1 
ATOM   1275 H  HB2  . ALA A 1 87  ? -7.50143  3.56696   -8.96616  1.000 12.57374 ? 79  ALA A HB2  1 
ATOM   1276 H  HB3  . ALA A 1 87  ? -8.41277  2.87135   -7.86657  1.000 12.57374 ? 79  ALA A HB3  1 
ATOM   1277 N  N    . TYR A 1 88  ? -5.53560  1.21150   -6.20207  1.000 10.37982 ? 80  TYR A N    1 
ATOM   1278 C  CA   . TYR A 1 88  ? -5.41647  0.75019   -4.82264  1.000 10.74910 ? 80  TYR A CA   1 
ATOM   1279 C  C    . TYR A 1 88  ? -5.33611  1.97142   -3.90083  1.000 10.78172 ? 80  TYR A C    1 
ATOM   1280 O  O    . TYR A 1 88  ? -4.62531  2.93301   -4.20459  1.000 11.56389 ? 80  TYR A O    1 
ATOM   1281 C  CB   . TYR A 1 88  ? -4.14575  -0.04282  -4.59142  1.000 11.76755 ? 80  TYR A CB   1 
ATOM   1282 C  CG   . TYR A 1 88  ? -4.02357  -1.32050  -5.39586  1.000 12.06765 ? 80  TYR A CG   1 
ATOM   1283 C  CD1  . TYR A 1 88  ? -4.79383  -2.42728  -5.07900  1.000 12.84624 ? 80  TYR A CD1  1 
ATOM   1284 C  CD2  . TYR A 1 88  ? -3.17487  -1.41450  -6.47511  1.000 13.86018 ? 80  TYR A CD2  1 
ATOM   1285 C  CE1  . TYR A 1 88  ? -4.68327  -3.62526  -5.79113  1.000 14.44814 ? 80  TYR A CE1  1 
ATOM   1286 C  CE2  . TYR A 1 88  ? -3.04592  -2.64951  -7.17437  1.000 14.93805 ? 80  TYR A CE2  1 
ATOM   1287 C  CZ   . TYR A 1 88  ? -3.79672  -3.71851  -6.82618  1.000 14.97182 ? 80  TYR A CZ   1 
ATOM   1288 O  OH   . TYR A 1 88  ? -3.70735  -4.92428  -7.47233  1.000 16.69758 ? 80  TYR A OH   1 
ATOM   1289 H  H    . TYR A 1 88  ? -4.80667  1.53790   -6.52100  1.000 12.45578 ? 80  TYR A H    1 
ATOM   1290 H  HA   . TYR A 1 88  ? -6.17728  0.18582   -4.61397  1.000 12.89892 ? 80  TYR A HA   1 
ATOM   1291 H  HB2  . TYR A 1 88  ? -3.38896  0.51814   -4.82268  1.000 14.12105 ? 80  TYR A HB2  1 
ATOM   1292 H  HB3  . TYR A 1 88  ? -4.10381  -0.28639  -3.65343  1.000 14.12105 ? 80  TYR A HB3  1 
ATOM   1293 H  HD1  . TYR A 1 88  ? -5.39935  -2.37211  -4.37530  1.000 15.41548 ? 80  TYR A HD1  1 
ATOM   1294 H  HD2  . TYR A 1 88  ? -2.68559  -0.67221  -6.74806  1.000 16.63222 ? 80  TYR A HD2  1 
ATOM   1295 H  HE1  . TYR A 1 88  ? -5.21108  -4.35562  -5.56114  1.000 17.33777 ? 80  TYR A HE1  1 
ATOM   1296 H  HE2  . TYR A 1 88  ? -2.44002  -2.72071  -7.87631  1.000 17.92566 ? 80  TYR A HE2  1 
ATOM   1297 H  HH   . TYR A 1 88  ? -3.11518  -4.88835  -8.06702  1.000 20.03710 ? 80  TYR A HH   1 
ATOM   1298 N  N    . PRO A 1 89  ? -5.96891  1.93815   -2.73127  1.000 11.17125 ? 81  PRO A N    1 
ATOM   1299 C  CA   . PRO A 1 89  ? -5.74349  3.00869   -1.76299  1.000 11.24133 ? 81  PRO A CA   1 
ATOM   1300 C  C    . PRO A 1 89  ? -4.35806  2.87381   -1.14643  1.000 11.60595 ? 81  PRO A C    1 
ATOM   1301 O  O    . PRO A 1 89  ? -3.93870  1.76702   -0.80105  1.000 12.45625 ? 81  PRO A O    1 
ATOM   1302 C  CB   . PRO A 1 89  ? -6.85490  2.77874   -0.74446  1.000 12.45662 ? 81  PRO A CB   1 
ATOM   1303 C  CG   . PRO A 1 89  ? -7.04985  1.28626   -0.75556  1.000 13.05476 ? 81  PRO A CG   1 
ATOM   1304 C  CD   . PRO A 1 89  ? -6.80226  0.85236   -2.19870  1.000 11.95252 ? 81  PRO A CD   1 
ATOM   1305 H  HA   . PRO A 1 89  ? -5.84424  3.89062   -2.15408  1.000 13.48959 ? 81  PRO A HA   1 
ATOM   1306 H  HB2  . PRO A 1 89  ? -6.57656  3.09026   0.13098   1.000 14.94794 ? 81  PRO A HB2  1 
ATOM   1307 H  HB3  . PRO A 1 89  ? -7.66223  3.24062   -1.01973  1.000 14.94794 ? 81  PRO A HB3  1 
ATOM   1308 H  HG2  . PRO A 1 89  ? -6.41312  0.86735   -0.15556  1.000 15.66572 ? 81  PRO A HG2  1 
ATOM   1309 H  HG3  . PRO A 1 89  ? -7.95510  1.07119   -0.48140  1.000 15.66572 ? 81  PRO A HG3  1 
ATOM   1310 H  HD2  . PRO A 1 89  ? -6.32966  0.00585   -2.22970  1.000 14.34303 ? 81  PRO A HD2  1 
ATOM   1311 H  HD3  . PRO A 1 89  ? -7.63700  0.78441   -2.68808  1.000 14.34303 ? 81  PRO A HD3  1 
ATOM   1312 N  N    . VAL A 1 90  ? -3.67838  4.00109   -0.92992  1.000 11.74506 ? 82  VAL A N    1 
ATOM   1313 C  CA   . VAL A 1 90  ? -2.46110  4.03952   -0.11522  1.000 12.61955 ? 82  VAL A CA   1 
ATOM   1314 C  C    . VAL A 1 90  ? -2.66796  4.85277   1.15121   1.000 12.24543 ? 82  VAL A C    1 
ATOM   1315 O  O    . VAL A 1 90  ? -1.75815  4.96607   1.96314   1.000 13.77173 ? 82  VAL A O    1 
ATOM   1316 C  CB   . VAL A 1 90  ? -1.17583  4.41613   -0.86348  1.000 13.61751 ? 82  VAL A CB   1 
ATOM   1317 C  CG1  . VAL A 1 90  ? -0.96880  3.47510   -2.01881  1.000 15.10440 ? 82  VAL A CG1  1 
ATOM   1318 C  CG2  . VAL A 1 90  ? -1.27560  5.81301   -1.32301  1.000 14.77744 ? 82  VAL A CG2  1 
ATOM   1319 H  H    . VAL A 1 90  ? -3.90527  4.76703   -1.24844  1.000 14.09407 ? 82  VAL A H    1 
ATOM   1320 H  HA   . VAL A 1 90  ? -2.27486  3.12523   0.14993   1.000 15.14346 ? 82  VAL A HA   1 
ATOM   1321 H  HB   . VAL A 1 90  ? -0.40622  4.34147   -0.27780  1.000 16.34101 ? 82  VAL A HB   1 
ATOM   1322 H  HG11 . VAL A 1 90  ? -0.13449  3.69684   -2.46113  1.000 18.12528 ? 82  VAL A HG11 1 
ATOM   1323 H  HG12 . VAL A 1 90  ? -0.93368  2.56575   -1.68304  1.000 18.12528 ? 82  VAL A HG12 1 
ATOM   1324 H  HG13 . VAL A 1 90  ? -1.70786  3.57010   -2.63983  1.000 18.12528 ? 82  VAL A HG13 1 
ATOM   1325 H  HG21 . VAL A 1 90  ? -0.52740  6.00686   -1.90911  1.000 17.73293 ? 82  VAL A HG21 1 
ATOM   1326 H  HG22 . VAL A 1 90  ? -2.11048  5.92866   -1.80312  1.000 17.73293 ? 82  VAL A HG22 1 
ATOM   1327 H  HG23 . VAL A 1 90  ? -1.25306  6.40142   -0.55219  1.000 17.73293 ? 82  VAL A HG23 1 
ATOM   1328 N  N    . SER A 1 91  ? -3.86719  5.34858   1.37707   1.000 11.68051 ? 83  SER A N    1 
ATOM   1329 C  CA   . SER A 1 91  ? -4.34812  5.98249   2.59126   1.000 11.51414 ? 83  SER A CA   1 
ATOM   1330 C  C    . SER A 1 91  ? -5.86384  5.83058   2.59788   1.000 11.14308 ? 83  SER A C    1 
ATOM   1331 O  O    . SER A 1 91  ? -6.45870  5.41470   1.60126   1.000 11.32846 ? 83  SER A O    1 
ATOM   1332 C  CB   . SER A 1 91  ? -3.96466  7.47204   2.65016   1.000 12.27628 ? 83  SER A CB   1 
ATOM   1333 O  OG   . SER A 1 91  ? -4.72627  8.26017   1.71864   1.000 12.51263 ? 83  SER A OG   1 
ATOM   1334 H  H    . SER A 1 91  ? -4.48779  5.32949   0.78201   1.000 14.01661 ? 83  SER A H    1 
ATOM   1335 H  HA   . SER A 1 91  ? -3.95724  5.53549   3.35827   1.000 13.81697 ? 83  SER A HA   1 
ATOM   1336 H  HB2  . SER A 1 91  ? -4.13244  7.80154   3.54692   1.000 14.73154 ? 83  SER A HB2  1 
ATOM   1337 H  HB3  . SER A 1 91  ? -3.02285  7.55985   2.43525   1.000 14.73154 ? 83  SER A HB3  1 
ATOM   1338 H  HG   . SER A 1 91  ? -5.53117  8.28868   1.95722   1.000 15.01516 ? 83  SER A HG   1 
ATOM   1339 N  N    . ASP A 1 92  ? -6.50191  6.28793   3.67057   1.000 11.49484 ? 84  ASP A N    1 
ATOM   1340 C  CA   . ASP A 1 92  ? -7.92643  6.51690   3.59821   1.000 11.46857 ? 84  ASP A CA   1 
ATOM   1341 C  C    . ASP A 1 92  ? -8.20252  7.45413   2.42055   1.000 10.60693 ? 84  ASP A C    1 
ATOM   1342 O  O    . ASP A 1 92  ? -7.44580  8.39128   2.16957   1.000 11.48367 ? 84  ASP A O    1 
ATOM   1343 C  CB   . ASP A 1 92  ? -8.44038  7.15815   4.88794   1.000 12.14166 ? 84  ASP A CB   1 
ATOM   1344 C  CG   . ASP A 1 92  ? -8.32007  6.26270   6.13491   1.000 13.04275 ? 84  ASP A CG   1 
ATOM   1345 O  OD1  . ASP A 1 92  ? -8.02308  5.06226   6.04612   1.000 13.20123 ? 84  ASP A OD1  1 
ATOM   1346 O  OD2  . ASP A 1 92  ? -8.58431  6.86029   7.21833   1.000 16.04021 ? 84  ASP A OD2  1 
ATOM   1347 H  H    . ASP A 1 92  ? -6.13731  6.46676   4.42865   1.000 13.79381 ? 84  ASP A H    1 
ATOM   1348 H  HA   . ASP A 1 92  ? -8.39509  5.67564   3.48178   1.000 13.76228 ? 84  ASP A HA   1 
ATOM   1349 H  HB2  . ASP A 1 92  ? -7.93049  7.96584   5.05693   1.000 14.56999 ? 84  ASP A HB2  1 
ATOM   1350 H  HB3  . ASP A 1 92  ? -9.37859  7.37604   4.77311   1.000 14.56999 ? 84  ASP A HB3  1 
ATOM   1351 N  N    . VAL A 1 93  ? -9.30989  7.23855   1.70173   1.000 10.72314 ? 85  VAL A N    1 
ATOM   1352 C  CA   . VAL A 1 93  ? -9.64466  8.04367   0.54050   1.000 10.39550 ? 85  VAL A CA   1 
ATOM   1353 C  C    . VAL A 1 93  ? -11.12688 8.34243   0.50722   1.000 10.22428 ? 85  VAL A C    1 
ATOM   1354 O  O    . VAL A 1 93  ? -11.95676 7.54722   0.96496   1.000 11.15953 ? 85  VAL A O    1 
ATOM   1355 C  CB   . VAL A 1 93  ? -9.22391  7.36908   -0.79846  1.000 10.36481 ? 85  VAL A CB   1 
ATOM   1356 C  CG1  . VAL A 1 93  ? -7.72662  7.32654   -0.96116  1.000 11.27331 ? 85  VAL A CG1  1 
ATOM   1357 C  CG2  . VAL A 1 93  ? -9.82275  5.99043   -0.94890  1.000 11.66792 ? 85  VAL A CG2  1 
ATOM   1358 H  H    . VAL A 1 93  ? -9.88447  6.62268   1.87538   1.000 12.86777 ? 85  VAL A H    1 
ATOM   1359 H  HA   . VAL A 1 93  ? -9.17113  8.88476   0.63652   1.000 12.47461 ? 85  VAL A HA   1 
ATOM   1360 H  HB   . VAL A 1 93  ? -9.57807  7.91862   -1.51503  1.000 12.43777 ? 85  VAL A HB   1 
ATOM   1361 H  HG11 . VAL A 1 93  ? -7.51240  6.88875   -1.79982  1.000 13.52798 ? 85  VAL A HG11 1 
ATOM   1362 H  HG12 . VAL A 1 93  ? -7.38342  8.23379   -0.96451  1.000 13.52798 ? 85  VAL A HG12 1 
ATOM   1363 H  HG13 . VAL A 1 93  ? -7.34256  6.83033   -0.22145  1.000 13.52798 ? 85  VAL A HG13 1 
ATOM   1364 H  HG21 . VAL A 1 93  ? -9.53485  5.61159   -1.79418  1.000 14.00150 ? 85  VAL A HG21 1 
ATOM   1365 H  HG22 . VAL A 1 93  ? -9.51906  5.43250   -0.21583  1.000 14.00150 ? 85  VAL A HG22 1 
ATOM   1366 H  HG23 . VAL A 1 93  ? -10.78990 6.06255   -0.93104  1.000 14.00150 ? 85  VAL A HG23 1 
ATOM   1367 N  N    . THR A 1 94  ? -11.46394 9.46482   -0.13343  1.000 10.08791 ? 86  THR A N    1 
ATOM   1368 C  CA   . THR A 1 94  ? -12.82894 9.80430   -0.52340  1.000 10.32260 ? 86  THR A CA   1 
ATOM   1369 C  C    . THR A 1 94  ? -12.84873 9.98128   -2.04110  1.000 9.77969  ? 86  THR A C    1 
ATOM   1370 O  O    . THR A 1 94  ? -12.03381 10.73188  -2.57783  1.000 10.09997 ? 86  THR A O    1 
ATOM   1371 C  CB   . THR A 1 94  ? -13.29496 11.09913  0.14699   1.000 11.42531 ? 86  THR A CB   1 
ATOM   1372 O  OG1  . THR A 1 94  ? -13.20798 10.91822  1.55383   1.000 13.03627 ? 86  THR A OG1  1 
ATOM   1373 C  CG2  . THR A 1 94  ? -14.68411 11.46288  -0.25382  1.000 12.13689 ? 86  THR A CG2  1 
ATOM   1374 H  H    . THR A 1 94  ? -10.89393 10.06735  -0.36070  1.000 12.10550 ? 86  THR A H    1 
ATOM   1375 H  HA   . THR A 1 94  ? -13.43581 9.09369   -0.26333  1.000 12.38712 ? 86  THR A HA   1 
ATOM   1376 H  HB   . THR A 1 94  ? -12.73471 11.84094  -0.13003  1.000 13.71037 ? 86  THR A HB   1 
ATOM   1377 H  HG1  . THR A 1 94  ? -13.46011 11.61513  1.94925   1.000 15.64352 ? 86  THR A HG1  1 
ATOM   1378 H  HG21 . THR A 1 94  ? -15.00782 12.19300  0.29668   1.000 14.56426 ? 86  THR A HG21 1 
ATOM   1379 H  HG22 . THR A 1 94  ? -14.69964 11.73883  -1.18361  1.000 14.56426 ? 86  THR A HG22 1 
ATOM   1380 H  HG23 . THR A 1 94  ? -15.27225 10.69966  -0.14210  1.000 14.56426 ? 86  THR A HG23 1 
ATOM   1381 N  N    . ILE A 1 95  ? -13.75490 9.26264   -2.70740  1.000 9.63133  ? 87  ILE A N    1 
ATOM   1382 C  CA   . ILE A 1 95  ? -13.86679 9.27313   -4.16504  1.000 9.96836  ? 87  ILE A CA   1 
ATOM   1383 C  C    . ILE A 1 95  ? -15.32665 9.51871   -4.53806  1.000 9.86173  ? 87  ILE A C    1 
ATOM   1384 O  O    . ILE A 1 95  ? -16.21350 8.85396   -4.01331  1.000 10.66152 ? 87  ILE A O    1 
ATOM   1385 C  CB   . ILE A 1 95  ? -13.41260 7.91875   -4.76227  1.000 10.25837 ? 87  ILE A CB   1 
ATOM   1386 C  CG1  . ILE A 1 95  ? -11.93369 7.67732   -4.45262  1.000 11.17421 ? 87  ILE A CG1  1 
ATOM   1387 C  CG2  . ILE A 1 95  ? -13.70198 7.85123   -6.24590  1.000 11.57627 ? 87  ILE A CG2  1 
ATOM   1388 C  CD1  . ILE A 1 95  ? -11.47165 6.23646   -4.67674  1.000 11.76666 ? 87  ILE A CD1  1 
ATOM   1389 H  H    . ILE A 1 95  ? -14.32947 8.74897   -2.32581  1.000 11.55759 ? 87  ILE A H    1 
ATOM   1390 H  HA   . ILE A 1 95  ? -13.32431 9.99276   -4.52384  1.000 11.96203 ? 87  ILE A HA   1 
ATOM   1391 H  HB   . ILE A 1 95  ? -13.92392 7.20843   -4.34407  1.000 12.31005 ? 87  ILE A HB   1 
ATOM   1392 H  HG12 . ILE A 1 95  ? -11.39965 8.24967   -5.02544  1.000 13.40905 ? 87  ILE A HG12 1 
ATOM   1393 H  HG13 . ILE A 1 95  ? -11.77223 7.89626   -3.52154  1.000 13.40905 ? 87  ILE A HG13 1 
ATOM   1394 H  HG21 . ILE A 1 95  ? -13.24435 7.08323   -6.62227  1.000 13.89153 ? 87  ILE A HG21 1 
ATOM   1395 H  HG22 . ILE A 1 95  ? -14.65899 7.76315   -6.37730  1.000 13.89153 ? 87  ILE A HG22 1 
ATOM   1396 H  HG23 . ILE A 1 95  ? -13.38378 8.66502   -6.66707  1.000 13.89153 ? 87  ILE A HG23 1 
ATOM   1397 H  HD11 . ILE A 1 95  ? -10.57999 6.13008   -4.30994  1.000 14.11999 ? 87  ILE A HD11 1 
ATOM   1398 H  HD12 . ILE A 1 95  ? -12.08710 5.63435   -4.23000  1.000 14.11999 ? 87  ILE A HD12 1 
ATOM   1399 H  HD13 . ILE A 1 95  ? -11.46167 6.05254   -5.62909  1.000 14.11999 ? 87  ILE A HD13 1 
ATOM   1400 N  N    . GLU A 1 96  ? -15.55903 10.44961  -5.47190  1.000 10.03470 ? 88  GLU A N    1 
ATOM   1401 C  CA   . GLU A 1 96  ? -16.86699 10.63700  -6.07922  1.000 10.90106 ? 88  GLU A CA   1 
ATOM   1402 C  C    . GLU A 1 96  ? -16.95913 9.69818   -7.27843  1.000 11.30766 ? 88  GLU A C    1 
ATOM   1403 O  O    . GLU A 1 96  ? -16.10639 9.72542   -8.16877  1.000 12.45893 ? 88  GLU A O    1 
ATOM   1404 C  CB   . GLU A 1 96  ? -17.02716 12.07109  -6.55552  1.000 13.40818 ? 88  GLU A CB   1 
ATOM   1405 C  CG   . GLU A 1 96  ? -17.24456 13.02765  -5.50345  1.000 17.50275 ? 88  GLU A CG   1 
ATOM   1406 C  CD   . GLU A 1 96  ? -17.25027 14.45883  -6.02886  1.000 22.36213 ? 88  GLU A CD   1 
ATOM   1407 O  OE1  . GLU A 1 96  ? -16.83997 14.68842  -7.19821  1.000 24.67007 ? 88  GLU A OE1  1 
ATOM   1408 O  OE2  . GLU A 1 96  ? -17.55639 15.36241  -5.23337  1.000 23.82771 ? 88  GLU A OE2  1 
ATOM   1409 H  H    . GLU A 1 96  ? -14.96037 10.99016  -5.77025  1.000 12.04165 ? 88  GLU A H    1 
ATOM   1410 H  HA   . GLU A 1 96  ? -17.56623 10.43718  -5.43732  1.000 13.08127 ? 88  GLU A HA   1 
ATOM   1411 H  HB2  . GLU A 1 96  ? -16.22054 12.33207  -7.02685  1.000 16.08981 ? 88  GLU A HB2  1 
ATOM   1412 H  HB3  . GLU A 1 96  ? -17.78966 12.11476  -7.15351  1.000 16.08981 ? 88  GLU A HB3  1 
ATOM   1413 H  HG2  . GLU A 1 96  ? -18.10282 12.85399  -5.08615  1.000 21.00330 ? 88  GLU A HG2  1 
ATOM   1414 H  HG3  . GLU A 1 96  ? -16.53450 12.94788  -4.84744  1.000 21.00330 ? 88  GLU A HG3  1 
ATOM   1415 N  N    . THR A 1 97  ? -17.96860 8.85534   -7.29169  1.000 11.26779 ? 89  THR A N    1 
ATOM   1416 C  CA   . THR A 1 97  ? -18.09610 7.83775   -8.31704  1.000 11.41082 ? 89  THR A CA   1 
ATOM   1417 C  C    . THR A 1 97  ? -19.02788 8.29956   -9.44144  1.000 11.88517 ? 89  THR A C    1 
ATOM   1418 O  O    . THR A 1 97  ? -19.66123 9.35142   -9.39484  1.000 12.75395 ? 89  THR A O    1 
ATOM   1419 C  CB   . THR A 1 97  ? -18.61449 6.56824   -7.69448  1.000 12.27228 ? 89  THR A CB   1 
ATOM   1420 O  OG1  . THR A 1 97  ? -19.94128 6.76976   -7.19036  1.000 13.34044 ? 89  THR A OG1  1 
ATOM   1421 C  CG2  . THR A 1 97  ? -17.72397 6.07263   -6.57400  1.000 13.03302 ? 89  THR A CG2  1 
ATOM   1422 H  H    . THR A 1 97  ? -18.60258 8.85061   -6.71061  1.000 13.52134 ? 89  THR A H    1 
ATOM   1423 H  HA   . THR A 1 97  ? -17.22176 7.68124   -8.70684  1.000 13.69298 ? 89  THR A HA   1 
ATOM   1424 H  HB   . THR A 1 97  ? -18.62568 5.88330   -8.38123  1.000 14.72674 ? 89  THR A HB   1 
ATOM   1425 H  HG1  . THR A 1 97  ? -19.93470 7.35874   -6.59149  1.000 16.00853 ? 89  THR A HG1  1 
ATOM   1426 H  HG21 . THR A 1 97  ? -18.02690 5.20293   -6.26946  1.000 15.63963 ? 89  THR A HG21 1 
ATOM   1427 H  HG22 . THR A 1 97  ? -16.80904 5.99551   -6.88680  1.000 15.63963 ? 89  THR A HG22 1 
ATOM   1428 H  HG23 . THR A 1 97  ? -17.75081 6.69379   -5.82945  1.000 15.63963 ? 89  THR A HG23 1 
ATOM   1429 N  N    . HIS A 1 98  ? -19.13877 7.46571   -10.49119 1.000 12.41734 ? 90  HIS A N    1 
ATOM   1430 C  CA   . HIS A 1 98  ? -20.08761 7.74499   -11.58742 1.000 12.63859 ? 90  HIS A CA   1 
ATOM   1431 C  C    . HIS A 1 98  ? -19.78434 9.05922   -12.30885 1.000 13.36950 ? 90  HIS A C    1 
ATOM   1432 O  O    . HIS A 1 98  ? -20.68879 9.80314   -12.65610 1.000 15.01631 ? 90  HIS A O    1 
ATOM   1433 C  CB   . HIS A 1 98  ? -21.53589 7.71385   -11.12334 1.000 14.11074 ? 90  HIS A CB   1 
ATOM   1434 C  CG   . HIS A 1 98  ? -22.01032 6.43072   -10.48935 1.000 13.96998 ? 90  HIS A CG   1 
ATOM   1435 N  ND1  . HIS A 1 98  ? -21.60472 5.97857   -9.24154  1.000 14.67607 ? 90  HIS A ND1  1 
ATOM   1436 C  CD2  . HIS A 1 98  ? -22.98342 5.57645   -10.91982 1.000 15.51341 ? 90  HIS A CD2  1 
ATOM   1437 C  CE1  . HIS A 1 98  ? -22.30034 4.89871   -8.94803  1.000 15.10666 ? 90  HIS A CE1  1 
ATOM   1438 N  NE2  . HIS A 1 98  ? -23.15730 4.64228   -9.94614  1.000 15.71610 ? 90  HIS A NE2  1 
ATOM   1439 H  H    . HIS A 1 98  ? -18.68282 6.74327   -10.59009 1.000 14.90080 ? 90  HIS A H    1 
ATOM   1440 H  HA   . HIS A 1 98  ? -19.97016 7.03239   -12.23495 1.000 15.16631 ? 90  HIS A HA   1 
ATOM   1441 H  HB2  . HIS A 1 98  ? -21.65721 8.41745   -10.46673 1.000 16.93289 ? 90  HIS A HB2  1 
ATOM   1442 H  HB3  . HIS A 1 98  ? -22.10273 7.87730   -11.89333 1.000 16.93289 ? 90  HIS A HB3  1 
ATOM   1443 H  HD2  . HIS A 1 98  ? -23.44192 5.62391   -11.72755 1.000 18.61609 ? 90  HIS A HD2  1 
ATOM   1444 H  HE1  . HIS A 1 98  ? -22.21090 4.39457   -8.17167  1.000 18.12800 ? 90  HIS A HE1  1 
ATOM   1445 H  HE2  . HIS A 1 98  ? -23.72302 3.99490   -9.96753  1.000 18.85931 ? 90  HIS A HE2  1 
ATOM   1446 N  N    . LYS A 1 99  ? -18.50475 9.32155   -12.57579 1.000 13.28434 ? 91  LYS A N    1 
ATOM   1447 C  CA   . LYS A 1 99  ? -18.05112 10.59001  -13.16535 1.000 14.27578 ? 91  LYS A CA   1 
ATOM   1448 C  C    . LYS A 1 99  ? -17.65439 10.50952  -14.62862 1.000 14.43398 ? 91  LYS A C    1 
ATOM   1449 O  O    . LYS A 1 99  ? -17.13325 11.47966  -15.17721 1.000 16.64579 ? 91  LYS A O    1 
ATOM   1450 C  CB   . LYS A 1 99  ? -16.92528 11.17690  -12.32826 1.000 15.89438 ? 91  LYS A CB   1 
ATOM   1451 C  CG   . LYS A 1 99  ? -17.32815 11.51742  -10.91648 1.000 18.09990 ? 91  LYS A CG   1 
ATOM   1452 C  CD   . LYS A 1 99  ? -18.41066 12.58961  -10.90564 1.000 22.94692 ? 91  LYS A CD   1 
ATOM   1453 C  CE   . LYS A 1 99  ? -18.55533 13.29905  -9.61160  1.000 29.42368 ? 91  LYS A CE   1 
ATOM   1454 N  NZ   . LYS A 1 99  ? -19.51206 14.40188  -9.76909  1.000 31.99478 ? 91  LYS A NZ   1 
ATOM   1455 H  H    . LYS A 1 99  ? -17.86305 8.77002   -12.42205 1.000 15.94121 ? 91  LYS A H    1 
ATOM   1456 H  HA   . LYS A 1 99  ? -18.80207 11.20346  -13.13978 1.000 17.13094 ? 91  LYS A HA   1 
ATOM   1457 H  HB2  . LYS A 1 99  ? -16.20275 10.53138  -12.28192 1.000 19.07326 ? 91  LYS A HB2  1 
ATOM   1458 H  HB3  . LYS A 1 99  ? -16.61490 11.99241  -12.75194 1.000 19.07326 ? 91  LYS A HB3  1 
ATOM   1459 H  HG2  . LYS A 1 99  ? -17.67588 10.72470  -10.47878 1.000 21.71987 ? 91  LYS A HG2  1 
ATOM   1460 H  HG3  . LYS A 1 99  ? -16.55782 11.85304  -10.43188 1.000 21.71987 ? 91  LYS A HG3  1 
ATOM   1461 H  HD2  . LYS A 1 99  ? -18.19756 13.25268  -11.58079 1.000 27.53630 ? 91  LYS A HD2  1 
ATOM   1462 H  HD3  . LYS A 1 99  ? -19.26276 12.17245  -11.10765 1.000 27.53630 ? 91  LYS A HD3  1 
ATOM   1463 H  HE2  . LYS A 1 99  ? -18.88824 12.68790  -8.93591  1.000 35.30842 ? 91  LYS A HE2  1 
ATOM   1464 H  HE3  . LYS A 1 99  ? -17.69884 13.66242  -9.33721  1.000 35.30842 ? 91  LYS A HE3  1 
ATOM   1465 H  HZ1  . LYS A 1 99  ? -19.59773 14.84262  -9.00063  1.000 38.39373 ? 91  LYS A HZ1  1 
ATOM   1466 H  HZ2  . LYS A 1 99  ? -19.22598 14.96597  -10.39524 1.000 38.39373 ? 91  LYS A HZ2  1 
ATOM   1467 H  HZ3  . LYS A 1 99  ? -20.30744 14.08289  -10.00932 1.000 38.39373 ? 91  LYS A HZ3  1 
ATOM   1468 N  N    . GLU A 1 100 ? -17.90133 9.36154   -15.26691 1.000 15.60629 ? 92  GLU A N    1 
ATOM   1469 C  CA   . GLU A 1 100 ? -17.54295 9.20288   -16.67864 1.000 16.97573 ? 92  GLU A CA   1 
ATOM   1470 C  C    . GLU A 1 100 ? -18.01181 10.37806  -17.55123 1.000 19.35864 ? 92  GLU A C    1 
ATOM   1471 O  O    . GLU A 1 100 ? -17.28055 10.81761  -18.45072 1.000 19.85509 ? 92  GLU A O    1 
ATOM   1472 C  CB   . GLU A 1 100 ? -18.13145 7.89131   -17.22212 1.000 17.34075 ? 92  GLU A CB   1 
ATOM   1473 C  CG   . GLU A 1 100 ? -17.88816 7.66878   -18.68623 1.000 18.08784 ? 92  GLU A CG   1 
ATOM   1474 C  CD   . GLU A 1 100 ? -18.45198 6.34921   -19.21930 1.000 18.84694 ? 92  GLU A CD   1 
ATOM   1475 O  OE1  . GLU A 1 100 ? -19.61001 5.99881   -18.85383 1.000 19.97365 ? 92  GLU A OE1  1 
ATOM   1476 O  OE2  . GLU A 1 100 ? -17.73015 5.69109   -20.00502 1.000 19.16869 ? 92  GLU A OE2  1 
ATOM   1477 H  H    . GLU A 1 100 ? -18.26939 8.67027   -14.91155 1.000 18.72754 ? 92  GLU A H    1 
ATOM   1478 H  HA   . GLU A 1 100 ? -16.57502 9.16848   -16.73170 1.000 20.37088 ? 92  GLU A HA   1 
ATOM   1479 H  HB2  . GLU A 1 100 ? -17.73223 7.14947   -16.74128 1.000 20.80890 ? 92  GLU A HB2  1 
ATOM   1480 H  HB3  . GLU A 1 100 ? -19.09111 7.90003   -17.08116 1.000 20.80890 ? 92  GLU A HB3  1 
ATOM   1481 H  HG2  . GLU A 1 100 ? -18.30515 8.38945   -19.18388 1.000 21.70541 ? 92  GLU A HG2  1 
ATOM   1482 H  HG3  . GLU A 1 100 ? -16.93135 7.66581   -18.84561 1.000 21.70541 ? 92  GLU A HG3  1 
ATOM   1483 N  N    . GLU A 1 101 ? -19.20009 10.91550  -17.27162 1.000 24.83599 ? 93  GLU A N    1 
ATOM   1484 C  CA   . GLU A 1 101 ? -19.74238 11.97324  -18.13027 1.000 39.93663 ? 93  GLU A CA   1 
ATOM   1485 C  C    . GLU A 1 101 ? -18.86521 13.21425  -18.21355 1.000 40.35846 ? 93  GLU A C    1 
ATOM   1486 O  O    . GLU A 1 101 ? -18.94374 13.92872  -19.21843 1.000 39.49032 ? 93  GLU A O    1 
ATOM   1487 C  CB   . GLU A 1 101 ? -21.13866 12.38029  -17.69995 1.000 53.64090 ? 93  GLU A CB   1 
ATOM   1488 C  CG   . GLU A 1 101 ? -22.09054 11.22981  -17.58821 1.000 65.42077 ? 93  GLU A CG   1 
ATOM   1489 C  CD   . GLU A 1 101 ? -23.48577 11.70931  -18.00565 1.000 71.05574 ? 93  GLU A CD   1 
ATOM   1490 O  OE1  . GLU A 1 101 ? -23.98048 12.58245  -17.26837 1.000 68.91403 ? 93  GLU A OE1  1 
ATOM   1491 O  OE2  . GLU A 1 101 ? -24.01099 11.22860  -19.02466 1.000 77.85069 ? 93  GLU A OE2  1 
ATOM   1492 H  H    . GLU A 1 101 ? -19.70100 10.69318  -16.60885 1.000 29.80319 ? 93  GLU A H    1 
ATOM   1493 H  HA   . GLU A 1 101 ? -19.79076 11.58679  -19.01864 1.000 47.92396 ? 93  GLU A HA   1 
ATOM   1494 H  HB2  . GLU A 1 101 ? -21.08565 12.80724  -16.83058 1.000 64.36908 ? 93  GLU A HB2  1 
ATOM   1495 H  HB3  . GLU A 1 101 ? -21.49838 13.00086  -18.35294 1.000 64.36908 ? 93  GLU A HB3  1 
ATOM   1496 H  HG2  . GLU A 1 101 ? -21.81269 10.51046  -18.17663 1.000 78.50492 ? 93  GLU A HG2  1 
ATOM   1497 H  HG3  . GLU A 1 101 ? -22.12418 10.91436  -16.67156 1.000 78.50492 ? 93  GLU A HG3  1 
ATOM   1498 N  N    . GLU A 1 102 ? -18.03898 13.50959  -17.19697 1.000 40.65130 ? 94  GLU A N    1 
ATOM   1499 C  CA   . GLU A 1 102 ? -17.21400 14.71503  -17.25064 1.000 45.42949 ? 94  GLU A CA   1 
ATOM   1500 C  C    . GLU A 1 102 ? -15.98291 14.58725  -18.14129 1.000 48.62165 ? 94  GLU A C    1 
ATOM   1501 O  O    . GLU A 1 102 ? -15.37686 15.61113  -18.47339 1.000 54.75348 ? 94  GLU A O    1 
ATOM   1502 C  CB   . GLU A 1 102 ? -16.76515 15.15633  -15.85438 1.000 47.47448 ? 94  GLU A CB   1 
ATOM   1503 C  CG   . GLU A 1 102 ? -17.85609 15.80540  -15.05740 1.000 44.00041 ? 94  GLU A CG   1 
ATOM   1504 C  CD   . GLU A 1 102 ? -17.39949 16.25018  -13.68523 1.000 37.63537 ? 94  GLU A CD   1 
ATOM   1505 O  OE1  . GLU A 1 102 ? -16.22221 16.69094  -13.53095 1.000 37.84057 ? 94  GLU A OE1  1 
ATOM   1506 O  OE2  . GLU A 1 102 ? -18.24017 16.16375  -12.76454 1.000 35.14222 ? 94  GLU A OE2  1 
ATOM   1507 H  H    . GLU A 1 102 ? -17.94393 13.03662  -16.48502 1.000 48.78156 ? 94  GLU A H    1 
ATOM   1508 H  HA   . GLU A 1 102 ? -17.77878 15.41313  -17.61749 1.000 54.51539 ? 94  GLU A HA   1 
ATOM   1509 H  HB2  . GLU A 1 102 ? -16.45982 14.37790  -15.36273 1.000 56.96938 ? 94  GLU A HB2  1 
ATOM   1510 H  HB3  . GLU A 1 102 ? -16.04170 15.79605  -15.94535 1.000 56.96938 ? 94  GLU A HB3  1 
ATOM   1511 H  HG2  . GLU A 1 102 ? -18.17309 16.58770  -15.53533 1.000 52.80050 ? 94  GLU A HG2  1 
ATOM   1512 H  HG3  . GLU A 1 102 ? -18.58108 15.17165  -14.94056 1.000 52.80050 ? 94  GLU A HG3  1 
ATOM   1513 N  N    . LEU A 1 103 ? -15.57979 13.37394  -18.52164 1.000 43.76639 ? 95  LEU A N    1 
ATOM   1514 C  CA   . LEU A 1 103 ? -14.45222 13.22649  -19.44598 1.000 40.01379 ? 95  LEU A CA   1 
ATOM   1515 C  C    . LEU A 1 103 ? -14.83786 13.68404  -20.85756 1.000 39.09122 ? 95  LEU A C    1 
ATOM   1516 O  O    . LEU A 1 103 ? -14.05748 14.36214  -21.54992 1.000 40.27602 ? 95  LEU A O    1 
ATOM   1517 C  CB   . LEU A 1 103 ? -13.94967 11.77989  -19.48550 1.000 34.24908 ? 95  LEU A CB   1 
ATOM   1518 C  CG   . LEU A 1 103 ? -13.40936 11.21345  -18.17260 1.000 27.76608 ? 95  LEU A CG   1 
ATOM   1519 C  CD1  . LEU A 1 103 ? -13.38203 9.70759   -18.14490 1.000 24.84468 ? 95  LEU A CD1  1 
ATOM   1520 C  CD2  . LEU A 1 103 ? -11.99985 11.69211  -17.87450 1.000 26.95714 ? 95  LEU A CD2  1 
ATOM   1521 H  H    . LEU A 1 103 ? -15.93531 12.63447  -18.26398 1.000 52.51966 ? 95  LEU A H    1 
ATOM   1522 H  HA   . LEU A 1 103 ? -13.72219 13.78181  -19.13041 1.000 48.01655 ? 95  LEU A HA   1 
ATOM   1523 H  HB2  . LEU A 1 103 ? -14.68708 11.21240  -19.75951 1.000 41.09890 ? 95  LEU A HB2  1 
ATOM   1524 H  HB3  . LEU A 1 103 ? -13.23185 11.72822  -20.13585 1.000 41.09890 ? 95  LEU A HB3  1 
ATOM   1525 H  HG   . LEU A 1 103 ? -14.02245 11.53587  -17.49358 1.000 33.31930 ? 95  LEU A HG   1 
ATOM   1526 H  HD11 . LEU A 1 103 ? -13.01580 9.41394   -17.29605 1.000 29.81361 ? 95  LEU A HD11 1 
ATOM   1527 H  HD12 . LEU A 1 103 ? -14.28675 9.37337   -18.24817 1.000 29.81361 ? 95  LEU A HD12 1 
ATOM   1528 H  HD13 . LEU A 1 103 ? -12.82634 9.38838   -18.87306 1.000 29.81361 ? 95  LEU A HD13 1 
ATOM   1529 H  HD21 . LEU A 1 103 ? -11.71613 11.32716  -17.02173 1.000 32.34856 ? 95  LEU A HD21 1 
ATOM   1530 H  HD22 . LEU A 1 103 ? -11.40699 11.38651  -18.57879 1.000 32.34856 ? 95  LEU A HD22 1 
ATOM   1531 H  HD23 . LEU A 1 103 ? -11.99682 12.66138  -17.83695 1.000 32.34856 ? 95  LEU A HD23 1 
HETATM 1532 FE FE1  . FES B 2 .   ? -12.66297 0.12243   -17.96751 1.000 11.46719 ? 101 FES A FE1  1 
HETATM 1533 FE FE2  . FES B 2 .   ? -12.23579 0.50762   -15.23761 1.000 10.30770 ? 101 FES A FE2  1 
HETATM 1534 S  S1   . FES B 2 .   ? -13.96473 -0.50785  -16.20837 1.000 11.55574 ? 101 FES A S1   1 
HETATM 1535 S  S2   . FES B 2 .   ? -10.99554 1.27685   -16.92704 1.000 11.07513 ? 101 FES A S2   1 
HETATM 1536 O  O    . HOH C 3 .   ? -15.47916 -2.38845  -22.41143 0.770 24.98283 ? 201 HOH A O    1 
HETATM 1537 O  O    . HOH C 3 .   ? -7.70360  16.79505  -18.45780 1.000 40.37415 ? 202 HOH A O    1 
HETATM 1538 O  O    . HOH C 3 .   ? 0.70414   -4.02978  3.28148   1.000 44.85535 ? 203 HOH A O    1 
HETATM 1539 O  O    . HOH C 3 .   ? -14.40687 -4.54692  3.14163   1.000 33.59457 ? 204 HOH A O    1 
HETATM 1540 O  O    . HOH C 3 .   ? 5.66437   -4.24361  10.27725  1.000 37.37092 ? 205 HOH A O    1 
HETATM 1541 O  O    . HOH C 3 .   ? -6.56748  3.34142   -11.48205 0.388 17.14213 ? 206 HOH A O    1 
HETATM 1542 O  O    . HOH C 3 .   ? -15.20471 16.79169  -8.50601  1.000 42.93068 ? 207 HOH A O    1 
HETATM 1543 O  O    . HOH C 3 .   ? -20.15935 15.38304  -5.24294  1.000 33.31259 ? 208 HOH A O    1 
HETATM 1544 O  O    . HOH C 3 .   ? 1.38175   -1.85710  -13.06943 1.000 33.77187 ? 209 HOH A O    1 
HETATM 1545 O  O    . HOH C 3 .   ? -8.57470  -6.45368  -6.48574  1.000 18.63252 ? 210 HOH A O    1 
HETATM 1546 O  O    . HOH C 3 .   ? -7.38804  5.75580   9.29435   1.000 27.91535 ? 211 HOH A O    1 
HETATM 1547 O  O    . HOH C 3 .   ? -6.22982  -8.86712  0.68838   1.000 33.35516 ? 212 HOH A O    1 
HETATM 1548 O  O    . HOH C 3 .   ? -1.55910  -5.10240  -9.16743  1.000 23.51623 ? 213 HOH A O    1 
HETATM 1549 O  O    . HOH C 3 .   ? -2.50378  -5.95980  3.16459   1.000 26.83878 ? 214 HOH A O    1 
HETATM 1550 O  O    . HOH C 3 .   ? 2.92631   -2.22705  4.10612   1.000 31.97899 ? 215 HOH A O    1 
HETATM 1551 O  O    . HOH C 3 .   ? -1.04278  6.16635   4.24533   1.000 26.57613 ? 216 HOH A O    1 
HETATM 1552 O  O    . HOH C 3 .   ? -9.41919  9.41847   7.27230   1.000 27.05113 ? 217 HOH A O    1 
HETATM 1553 O  O    . HOH C 3 .   ? -4.69831  -0.95554  -18.98425 1.000 18.42947 ? 218 HOH A O    1 
HETATM 1554 O  O    . HOH C 3 .   ? -20.19672 -2.85572  -9.63465  1.000 19.19578 ? 219 HOH A O    1 
HETATM 1555 O  O    . HOH C 3 .   ? -20.08941 4.91730   -16.42489 1.000 18.89013 ? 220 HOH A O    1 
HETATM 1556 O  O    . HOH C 3 .   ? 2.29854   -0.77131  -8.28115  1.000 28.28280 ? 221 HOH A O    1 
HETATM 1557 O  O    . HOH C 3 .   ? -11.17010 -4.55093  -11.02896 1.000 20.06884 ? 222 HOH A O    1 
HETATM 1558 O  O    . HOH C 3 .   ? -20.95779 10.66534  -7.37435  1.000 19.42125 ? 223 HOH A O    1 
HETATM 1559 O  O    . HOH C 3 .   ? -1.92445  0.07028   -1.54298  1.000 16.61526 ? 224 HOH A O    1 
HETATM 1560 O  O    . HOH C 3 .   ? -20.29703 13.49503  -7.31662  1.000 26.45394 ? 225 HOH A O    1 
HETATM 1561 O  O    . HOH C 3 .   ? -0.37479  0.08414   2.82037   1.000 21.69085 ? 226 HOH A O    1 
HETATM 1562 O  O    . HOH C 3 .   ? -2.79165  0.35770   -9.61208  1.000 13.02087 ? 227 HOH A O    1 
HETATM 1563 O  O    . HOH C 3 .   ? -1.10669  8.24202   -17.24103 1.000 29.89621 ? 228 HOH A O    1 
HETATM 1564 O  O    . HOH C 3 .   ? -12.30299 -6.56304  -0.14301  1.000 30.55984 ? 229 HOH A O    1 
HETATM 1565 O  O    . HOH C 3 .   ? -20.13269 1.41724   -18.93029 1.000 42.75020 ? 230 HOH A O    1 
HETATM 1566 O  O    . HOH C 3 .   ? -20.12070 0.34054   6.08145   1.000 36.09202 ? 231 HOH A O    1 
HETATM 1567 O  O    . HOH C 3 .   ? -14.75225 12.45704  3.22880   1.000 34.37211 ? 232 HOH A O    1 
HETATM 1568 O  O    . HOH C 3 .   ? -23.84709 3.05830   -6.17833  1.000 30.61759 ? 233 HOH A O    1 
HETATM 1569 O  O    . HOH C 3 .   ? -5.75162  6.89578   -23.29785 1.000 22.88185 ? 234 HOH A O    1 
HETATM 1570 O  O    . HOH C 3 .   ? -5.77973  11.05205  -9.50771  1.000 16.11519 ? 235 HOH A O    1 
HETATM 1571 O  O    . HOH C 3 .   ? -21.70588 7.78988   -18.64757 1.000 33.67082 ? 236 HOH A O    1 
HETATM 1572 O  O    . HOH C 3 .   ? -0.17515  0.16637   -3.69658  1.000 27.04444 ? 237 HOH A O    1 
HETATM 1573 O  O    . HOH C 3 .   ? -0.21942  4.05856   -14.93444 1.000 29.24009 ? 238 HOH A O    1 
HETATM 1574 O  O    . HOH C 3 .   ? -21.24227 -6.83756  -11.02564 1.000 34.24654 ? 239 HOH A O    1 
HETATM 1575 O  O    . HOH C 3 .   ? -16.07173 7.11518   9.52866   1.000 48.86492 ? 240 HOH A O    1 
HETATM 1576 O  O    . HOH C 3 .   ? -5.76804  17.40950  -8.14881  1.000 37.17642 ? 241 HOH A O    1 
HETATM 1577 O  O    . HOH C 3 .   ? -11.09548 9.96445   3.09000   1.000 16.94306 ? 242 HOH A O    1 
HETATM 1578 O  O    . HOH C 3 .   ? -7.52646  9.91868   -21.62475 1.000 21.97163 ? 243 HOH A O    1 
HETATM 1579 O  O    . HOH C 3 .   ? -6.94015  10.64765  3.73303   1.000 22.41020 ? 244 HOH A O    1 
HETATM 1580 O  O    . HOH C 3 .   ? -6.07498  -9.07844  -3.78342  1.000 32.51335 ? 245 HOH A O    1 
HETATM 1581 O  O    . HOH C 3 .   ? -18.03996 6.56987   -14.00386 1.000 14.81623 ? 246 HOH A O    1 
HETATM 1582 O  O    . HOH C 3 .   ? -10.62475 -1.76077  -22.88549 1.000 15.86867 ? 247 HOH A O    1 
HETATM 1583 O  O    . HOH C 3 .   ? -16.96203 2.60927   -10.72655 1.000 12.72765 ? 248 HOH A O    1 
HETATM 1584 O  O    . HOH C 3 .   ? -11.61797 -6.14283  -20.81029 1.000 24.87385 ? 249 HOH A O    1 
HETATM 1585 O  O    . HOH C 3 .   ? -5.79633  -6.78767  -7.38101  1.000 24.05154 ? 250 HOH A O    1 
HETATM 1586 O  O    . HOH C 3 .   ? -12.31444 -7.96903  -12.22487 1.000 32.67444 ? 251 HOH A O    1 
HETATM 1587 O  O    . HOH C 3 .   ? -3.70131  12.24666  -4.08050  1.000 17.91370 ? 252 HOH A O    1 
HETATM 1588 O  O    . HOH C 3 .   ? -23.27298 10.62905  -11.94759 1.000 33.79063 ? 253 HOH A O    1 
HETATM 1589 O  O    . HOH C 3 .   ? -12.45193 7.66780   4.08070   1.000 14.69636 ? 254 HOH A O    1 
HETATM 1590 O  O    . HOH C 3 .   ? -17.61143 11.18125  -21.21735 1.000 42.92830 ? 255 HOH A O    1 
HETATM 1591 O  O    . HOH C 3 .   ? -7.46276  14.96054  -5.15635  1.000 17.85657 ? 256 HOH A O    1 
HETATM 1592 O  O    . HOH C 3 .   ? 5.56108   2.32991   -9.64256  1.000 21.50998 ? 257 HOH A O    1 
HETATM 1593 O  O    . HOH C 3 .   ? -21.18887 9.08502   -15.33495 1.000 28.75730 ? 258 HOH A O    1 
HETATM 1594 O  O    . HOH C 3 .   ? 0.61550   3.44576   1.93822   1.000 41.44515 ? 259 HOH A O    1 
HETATM 1595 O  O    . HOH C 3 .   ? -10.91648 15.64159  -7.77127  1.000 29.49786 ? 260 HOH A O    1 
HETATM 1596 O  O    . HOH C 3 .   ? -14.76589 -5.51913  0.46064   1.000 27.25986 ? 261 HOH A O    1 
HETATM 1597 O  O    . HOH C 3 .   ? -25.46277 4.96643   -6.69885  1.000 18.86769 ? 262 HOH A O    1 
HETATM 1598 O  O    . HOH C 3 .   ? -0.47261  0.58477   -16.59507 1.000 29.54768 ? 263 HOH A O    1 
HETATM 1599 O  O    . HOH C 3 .   ? -7.92806  -3.59716  -13.38915 1.000 21.55732 ? 264 HOH A O    1 
HETATM 1600 O  O    . HOH C 3 .   ? -1.18207  -3.10786  -3.68338  1.000 26.05108 ? 265 HOH A O    1 
HETATM 1601 O  O    . HOH C 3 .   ? -0.05026  11.23489  -20.36144 1.000 35.87500 ? 266 HOH A O    1 
HETATM 1602 O  O    . HOH C 3 .   ? -5.00016  6.65203   6.07487   1.000 17.17057 ? 267 HOH A O    1 
HETATM 1603 O  O    . HOH C 3 .   ? 0.18006   5.60047   -8.97404  1.000 18.84953 ? 268 HOH A O    1 
HETATM 1604 O  O    . HOH C 3 .   ? -15.59083 -2.68328  5.65259   1.000 22.13795 ? 269 HOH A O    1 
HETATM 1605 O  O    . HOH C 3 .   ? 2.05847   2.48537   -4.07737  1.000 26.07197 ? 270 HOH A O    1 
HETATM 1606 O  O    . HOH C 3 .   ? -3.08969  -7.16681  -5.54580  1.000 28.09499 ? 271 HOH A O    1 
HETATM 1607 O  O    . HOH C 3 .   ? -19.49162 -3.87807  -21.02829 1.000 38.77674 ? 272 HOH A O    1 
HETATM 1608 O  O    . HOH C 3 .   ? -5.40253  -6.13325  4.24777   1.000 27.04039 ? 273 HOH A O    1 
HETATM 1609 O  O    . HOH C 3 .   ? -17.16291 5.37005   -10.50356 1.000 12.55474 ? 274 HOH A O    1 
HETATM 1610 O  O    . HOH C 3 .   ? -22.03363 -5.01216  -6.47906  1.000 32.07951 ? 275 HOH A O    1 
HETATM 1611 O  O    . HOH C 3 .   ? -4.96328  -4.44167  -17.45332 1.000 25.74587 ? 276 HOH A O    1 
HETATM 1612 O  O    . HOH C 3 .   ? -25.30891 0.10877   -4.80603  1.000 33.99354 ? 277 HOH A O    1 
HETATM 1613 O  O    . HOH C 3 .   ? -3.03899  10.56468  2.13689   1.000 24.17584 ? 278 HOH A O    1 
HETATM 1614 O  O    . HOH C 3 .   ? -15.11307 1.49685   7.21582   1.000 28.66023 ? 279 HOH A O    1 
HETATM 1615 O  O    . HOH C 3 .   ? -21.54416 3.31546   4.75069   1.000 28.35475 ? 280 HOH A O    1 
HETATM 1616 O  O    . HOH C 3 .   ? -10.44999 -7.26069  -17.13083 1.000 29.50337 ? 281 HOH A O    1 
HETATM 1617 O  O    . HOH C 3 .   ? -6.17794  15.58335  -20.48250 1.000 32.39226 ? 282 HOH A O    1 
HETATM 1618 O  O    . HOH C 3 .   ? -5.54314  -2.96513  -14.84085 1.000 25.96191 ? 283 HOH A O    1 
HETATM 1619 O  O    . HOH C 3 .   ? -3.27835  9.86276   -5.45915  1.000 14.42556 ? 284 HOH A O    1 
HETATM 1620 O  O    . HOH C 3 .   ? -19.53430 8.61688   4.60894   1.000 41.87322 ? 285 HOH A O    1 
HETATM 1621 O  O    . HOH C 3 .   ? -0.84359  14.41219  -19.81102 1.000 28.71700 ? 286 HOH A O    1 
HETATM 1622 O  O    . HOH C 3 .   ? -8.51996  2.87497   7.98963   1.000 16.84678 ? 287 HOH A O    1 
HETATM 1623 O  O    . HOH C 3 .   ? -0.21444  -1.19935  -8.56693  1.000 28.61671 ? 288 HOH A O    1 
HETATM 1624 O  O    . HOH C 3 .   ? -23.72591 4.39628   4.12680   1.000 31.70519 ? 289 HOH A O    1 
HETATM 1625 O  O    . HOH C 3 .   ? -0.51491  9.04010   -4.78904  1.000 27.49654 ? 290 HOH A O    1 
HETATM 1626 O  O    . HOH C 3 .   ? -3.05171  7.63355   -21.43653 1.000 30.67492 ? 291 HOH A O    1 
HETATM 1627 O  O    . HOH C 3 .   ? -1.23196  5.69308   -14.22621 1.000 31.42399 ? 292 HOH A O    1 
HETATM 1628 O  O    . HOH C 3 .   ? -4.29466  9.18613   -8.02287  1.000 18.33147 ? 293 HOH A O    1 
HETATM 1629 O  O    . HOH C 3 .   ? -22.85977 -3.84855  -10.06660 0.471 26.03507 ? 294 HOH A O    1 
HETATM 1630 O  O    . HOH C 3 .   ? -18.48485 -7.50752  -10.41112 1.000 43.59628 ? 295 HOH A O    1 
HETATM 1631 O  O    . HOH C 3 .   ? -9.37583  -2.31474  8.39593   1.000 14.33351 ? 296 HOH A O    1 
HETATM 1632 O  O    . HOH C 3 .   ? -10.49588 11.38892  -21.68058 1.000 32.38466 ? 297 HOH A O    1 
HETATM 1633 O  O    . HOH C 3 .   ? -11.02301 2.83424   9.61744   1.000 27.48254 ? 298 HOH A O    1 
HETATM 1634 O  O    . HOH C 3 .   ? -24.09936 3.37546   -3.51374  1.000 24.45572 ? 299 HOH A O    1 
HETATM 1635 O  O    . HOH C 3 .   ? -10.32992 15.15479  -18.46879 1.000 27.72283 ? 300 HOH A O    1 
HETATM 1636 O  O    . HOH C 3 .   ? -29.69052 9.45072   -2.15732  1.000 49.92495 ? 301 HOH A O    1 
HETATM 1637 O  O    . HOH C 3 .   ? -23.85332 12.37202  -5.41873  1.000 33.52265 ? 302 HOH A O    1 
HETATM 1638 O  O    . HOH C 3 .   ? -8.57940  17.54074  -7.80358  1.000 37.85663 ? 303 HOH A O    1 
HETATM 1639 O  O    . HOH C 3 .   ? -28.01854 11.43744  -2.91128  1.000 25.87208 ? 304 HOH A O    1 
HETATM 1640 O  O    . HOH C 3 .   ? -21.60469 0.09923   -15.84656 1.000 36.03750 ? 305 HOH A O    1 
HETATM 1641 O  O    . HOH C 3 .   ? -13.22725 17.37132  -14.24360 1.000 35.01613 ? 306 HOH A O    1 
HETATM 1642 O  O    . HOH C 3 .   ? -2.28682  -1.23814  -17.66176 1.000 32.74657 ? 307 HOH A O    1 
HETATM 1643 O  O    . HOH C 3 .   ? -10.27042 -7.76427  -14.22110 1.000 32.93894 ? 308 HOH A O    1 
HETATM 1644 O  O    . HOH C 3 .   ? -2.51782  7.80538   -8.68292  1.000 31.85312 ? 309 HOH A O    1 
HETATM 1645 O  O    . HOH C 3 .   ? -17.15648 -9.00178  -7.85819  1.000 42.22062 ? 310 HOH A O    1 
HETATM 1646 O  O    . HOH C 3 .   ? -10.60227 -4.77415  4.47979   1.000 21.69684 ? 311 HOH A O    1 
HETATM 1647 O  O    . HOH C 3 .   ? -21.17016 6.66881   4.73166   1.000 36.73653 ? 312 HOH A O    1 
HETATM 1648 O  O    . HOH C 3 .   ? -10.40995 -9.66732  -2.96845  1.000 39.37049 ? 313 HOH A O    1 
HETATM 1649 O  O    . HOH C 3 .   ? -23.62718 1.67437   -12.17929 1.000 38.07260 ? 314 HOH A O    1 
HETATM 1650 O  O    . HOH C 3 .   ? -21.53681 -5.09229  -9.35891  0.489 23.38369 ? 315 HOH A O    1 
HETATM 1651 O  O    . HOH C 3 .   ? -4.43273  4.46550   -23.48025 1.000 20.31306 ? 316 HOH A O    1 
HETATM 1652 O  O    . HOH C 3 .   ? -21.32276 -2.50370  3.84779   1.000 40.47315 ? 317 HOH A O    1 
HETATM 1653 O  O    . HOH C 3 .   ? -1.04668  -5.38699  -5.09241  1.000 30.50041 ? 318 HOH A O    1 
HETATM 1654 O  O    . HOH C 3 .   ? -1.71947  4.55278   -22.94516 1.000 39.14544 ? 319 HOH A O    1 
HETATM 1655 O  O    . HOH C 3 .   ? -7.22974  -6.41869  -13.37210 1.000 42.20324 ? 320 HOH A O    1 
HETATM 1656 O  O    . HOH C 3 .   ? -21.26493 6.71239   -14.59184 1.000 21.82940 ? 321 HOH A O    1 
HETATM 1657 O  O    . HOH C 3 .   ? -26.74499 5.28252   -9.06088  1.000 24.83371 ? 322 HOH A O    1 
HETATM 1658 O  O    . HOH C 3 .   ? -9.01012  -8.86000  -5.26167  1.000 40.90895 ? 323 HOH A O    1 
HETATM 1659 O  O    . HOH C 3 .   ? -26.61193 2.12903   -6.68435  1.000 31.12012 ? 324 HOH A O    1 
HETATM 1660 O  O    . HOH C 3 .   ? 0.14679   0.40314   0.25967   1.000 27.00398 ? 325 HOH A O    1 
HETATM 1661 O  O    . HOH C 3 .   ? -10.11691 -4.54567  -22.60158 1.000 19.98290 ? 326 HOH A O    1 
HETATM 1662 O  O    . HOH C 3 .   ? 2.23071   2.14656   5.82141   1.000 33.66281 ? 327 HOH A O    1 
HETATM 1663 O  O    . HOH C 3 .   ? -20.10630 -8.93518  -6.76170  1.000 42.23858 ? 328 HOH A O    1 
HETATM 1664 O  O    . HOH C 3 .   ? -23.09870 12.17315  -7.71921  1.000 35.40662 ? 329 HOH A O    1 
HETATM 1665 O  O    . HOH C 3 .   ? 2.06840   0.24998   4.08514   1.000 26.46481 ? 330 HOH A O    1 
HETATM 1666 O  O    . HOH C 3 .   ? -3.80495  -10.28265 2.80185   1.000 46.55805 ? 331 HOH A O    1 
HETATM 1667 O  O    . HOH C 3 .   ? -0.60522  -0.47290  -20.26985 1.000 45.66078 ? 332 HOH A O    1 
HETATM 1668 O  O    . HOH C 3 .   ? -24.16348 3.83104   -14.05722 1.000 46.02079 ? 333 HOH A O    1 
HETATM 1669 O  O    . HOH C 3 .   ? -22.09664 3.05119   -16.77204 1.000 39.30065 ? 334 HOH A O    1 
HETATM 1670 O  O    . HOH C 3 .   ? -7.90862  17.69839  -5.27551  1.000 32.66551 ? 335 HOH A O    1 
HETATM 1671 O  O    . HOH C 3 .   ? -9.55567  10.99381  5.01305   1.000 32.49157 ? 336 HOH A O    1 
HETATM 1672 O  O    . HOH C 3 .   ? -2.13008  -9.01955  -8.13090  1.000 63.67184 ? 337 HOH A O    1 
HETATM 1673 O  O    . HOH C 3 .   ? -8.13888  -6.40022  5.07031   1.000 26.63003 ? 338 HOH A O    1 
HETATM 1674 O  O    . HOH C 3 .   ? -26.75233 7.23040   -11.12879 1.000 28.67764 ? 339 HOH A O    1 
HETATM 1675 O  O    . HOH C 3 .   ? 1.87280   2.47135   0.43302   1.000 33.33232 ? 340 HOH A O    1 
HETATM 1676 O  O    . HOH C 3 .   ? -13.30779 -1.37968  -23.47884 1.000 19.51778 ? 341 HOH A O    1 
HETATM 1677 O  O    . HOH C 3 .   ? -25.12377 8.35244   -12.47982 1.000 41.37373 ? 342 HOH A O    1 
HETATM 1678 O  O    . HOH C 3 .   ? -4.74114  19.87756  -22.43556 1.000 76.40045 ? 343 HOH A O    1 
HETATM 1679 O  O    . HOH C 3 .   ? -4.85716  14.07439  -5.87187  1.000 31.93553 ? 344 HOH A O    1 
HETATM 1680 O  O    . HOH C 3 .   ? -23.94436 6.38119   -14.34091 1.000 37.24529 ? 345 HOH A O    1 
HETATM 1681 O  O    . HOH C 3 .   ? -2.46481  7.60694   5.95371   1.000 23.25256 ? 346 HOH A O    1 
HETATM 1682 O  O    . HOH C 3 .   ? -8.82653  -8.79263  3.76029   1.000 38.67528 ? 347 HOH A O    1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
8    N  N   . SER A 5   ? 0.37205 0.51655 0.42305 -0.06387 0.09855  0.06973  -3  SER A N   
9    C  CA  . SER A 5   ? 0.41369 0.55433 0.39138 -0.06481 0.09764  0.08776  -3  SER A CA  
10   C  C   . SER A 5   ? 0.33253 0.50300 0.32068 0.00274  0.07593  0.09752  -3  SER A C   
11   O  O   . SER A 5   ? 0.30245 0.52963 0.32673 0.02168  0.08185  0.11556  -3  SER A O   
12   C  CB  . SER A 5   ? 0.57295 0.60788 0.40259 -0.13535 0.13007  0.10696  -3  SER A CB  
13   O  OG  . SER A 5   ? 0.61374 0.65875 0.41306 -0.14996 0.12671  0.12416  -3  SER A OG  
19   N  N   . PRO A 6   ? 0.28265 0.41453 0.24868 0.02252  0.05563  0.07986  -2  PRO A N   
20   C  CA  . PRO A 6   ? 0.26554 0.36100 0.22831 0.03729  0.06382  0.06916  -2  PRO A CA  
21   C  C   . PRO A 6   ? 0.30862 0.36261 0.21085 0.06043  0.06776  0.06277  -2  PRO A C   
22   O  O   . PRO A 6   ? 0.43431 0.38941 0.18789 0.04511  0.08825  0.06552  -2  PRO A O   
23   C  CB  . PRO A 6   ? 0.25662 0.33003 0.21329 0.04256  0.04412  0.05784  -2  PRO A CB  
24   C  CG  . PRO A 6   ? 0.28270 0.33518 0.20992 0.02533  0.03787  0.06458  -2  PRO A CG  
25   C  CD  . PRO A 6   ? 0.30782 0.37048 0.21598 0.01815  0.05273  0.06939  -2  PRO A CD  
33   N  N   . GLU A 7   ? 0.28579 0.36273 0.20993 0.11196  0.04712  0.06025  -1  GLU A N   
34   C  CA  . GLU A 7   ? 0.33007 0.37515 0.22176 0.14927  0.04983  0.03427  -1  GLU A CA  
35   C  C   . GLU A 7   ? 0.34042 0.34904 0.17989 0.15401  0.04033  0.01503  -1  GLU A C   
36   O  O   . GLU A 7   ? 0.39194 0.38947 0.18760 0.14964  0.06001  -0.00257 -1  GLU A O   
37   C  CB  . GLU A 7   ? 0.35984 0.44154 0.30748 0.15692  0.04020  0.03352  -1  GLU A CB  
38   C  CG  . GLU A 7   ? 0.39135 0.55980 0.42747 0.13309  0.06414  0.01921  -1  GLU A CG  
39   C  CD  . GLU A 7   ? 0.47246 0.68614 0.54845 0.08652  0.08539  -0.00003 -1  GLU A CD  
40   O  OE1 . GLU A 7   ? 0.63709 0.70016 0.55801 0.10080  0.03476  -0.00034 -1  GLU A OE1 
41   O  OE2 . GLU A 7   ? 0.46398 0.76561 0.62691 0.01046  0.13473  -0.01581 -1  GLU A OE2 
48   N  N   . PHE A 8   ? 0.29844 0.29363 0.16719 0.13603  0.01752  -0.00195 0   PHE A N   
49   C  CA  . PHE A 8   ? 0.29099 0.26435 0.18060 0.10407  0.01004  -0.00134 0   PHE A CA  
50   C  C   . PHE A 8   ? 0.28144 0.23245 0.13553 0.09621  -0.00771 0.01278  0   PHE A C   
51   O  O   . PHE A 8   ? 0.27082 0.21928 0.13134 0.09480  -0.00732 0.01533  0   PHE A O   
52   C  CB  . PHE A 8   ? 0.32056 0.27222 0.26306 0.09359  -0.00820 -0.00005 0   PHE A CB  
53   C  CG  . PHE A 8   ? 0.40671 0.32727 0.39150 0.06977  -0.00364 0.00858  0   PHE A CG  
54   C  CD1 . PHE A 8   ? 0.54752 0.36080 0.52679 0.05149  -0.01888 0.00099  0   PHE A CD1 
55   C  CD2 . PHE A 8   ? 0.43341 0.33316 0.43435 0.05565  0.01414  0.01369  0   PHE A CD2 
56   C  CE1 . PHE A 8   ? 0.56329 0.34388 0.64491 0.07707  -0.04007 -0.00150 0   PHE A CE1 
57   C  CE2 . PHE A 8   ? 0.53742 0.33070 0.50075 0.08685  -0.00193 0.00939  0   PHE A CE2 
58   C  CZ  . PHE A 8   ? 0.51610 0.33239 0.59060 0.13468  -0.02242 0.00208  0   PHE A CZ  
68   N  N   . ALA A 9   ? 0.28560 0.22666 0.12912 0.10139  -0.00713 0.00817  1   ALA A N   
69   C  CA  . ALA A 9   ? 0.27545 0.21105 0.12799 0.08423  -0.01182 0.00619  1   ALA A CA  
70   C  C   . ALA A 9   ? 0.27243 0.17440 0.12979 0.07352  -0.01071 0.00989  1   ALA A C   
71   O  O   . ALA A 9   ? 0.28661 0.18935 0.13072 0.07980  -0.01666 0.00023  1   ALA A O   
72   C  CB  . ALA A 9   ? 0.25599 0.25018 0.17871 0.07163  -0.03922 0.00487  1   ALA A CB  
78   N  N   . ALA A 10  ? 0.25553 0.16671 0.12471 0.06237  -0.01626 0.01098  2   ALA A N   
79   C  CA  . ALA A 10  ? 0.23728 0.15020 0.13306 0.04588  -0.00514 0.01120  2   ALA A CA  
80   C  C   . ALA A 10  ? 0.22148 0.15015 0.11434 0.03514  0.00042  0.01268  2   ALA A C   
81   O  O   . ALA A 10  ? 0.25758 0.15524 0.12237 0.03211  -0.02044 0.01288  2   ALA A O   
82   C  CB  . ALA A 10  ? 0.26511 0.15336 0.14706 0.03102  0.00791  0.00980  2   ALA A CB  
88   N  N   . TYR A 11  ? 0.21334 0.13885 0.12335 0.03333  -0.00892 0.01021  3   TYR A N   
89   C  CA  . TYR A 11  ? 0.19963 0.14795 0.11706 0.01872  -0.00034 0.01846  3   TYR A CA  
90   C  C   . TYR A 11  ? 0.19466 0.13339 0.12954 0.02045  0.00262  0.00656  3   TYR A C   
91   O  O   . TYR A 11  ? 0.18650 0.13384 0.14853 0.01294  -0.00153 0.00029  3   TYR A O   
92   C  CB  . TYR A 11  ? 0.19151 0.15866 0.14065 0.02616  0.00690  0.02457  3   TYR A CB  
93   C  CG  . TYR A 11  ? 0.19169 0.16251 0.13846 0.03121  -0.00109 0.03688  3   TYR A CG  
94   C  CD1 . TYR A 11  ? 0.19451 0.17324 0.14649 0.02130  0.00109  0.03871  3   TYR A CD1 
95   C  CD2 . TYR A 11  ? 0.19958 0.18951 0.14512 0.04376  0.00083  0.02388  3   TYR A CD2 
96   C  CE1 . TYR A 11  ? 0.20288 0.20786 0.16705 0.03452  -0.01446 0.04462  3   TYR A CE1 
97   C  CE2 . TYR A 11  ? 0.21403 0.21563 0.16177 0.05249  0.00612  0.02252  3   TYR A CE2 
98   C  CZ  . TYR A 11  ? 0.19522 0.22434 0.17151 0.04714  -0.00346 0.03085  3   TYR A CZ  
99   O  OH  . TYR A 11  ? 0.20873 0.26995 0.19133 0.05510  -0.02360 0.01399  3   TYR A OH  
109  N  N   . LYS A 12  ? 0.18739 0.13163 0.12864 0.01211  0.00045  0.00779  4   LYS A N   
110  C  CA  A LYS A 12  ? 0.18206 0.13676 0.14092 0.01133  0.00683  0.00877  4   LYS A CA  
111  C  CA  B LYS A 12  ? 0.18659 0.13321 0.13053 0.01091  0.00783  0.01291  4   LYS A CA  
112  C  C   . LYS A 12  ? 0.16370 0.13146 0.13078 0.00676  0.00777  0.00685  4   LYS A C   
113  O  O   . LYS A 12  ? 0.17520 0.14385 0.13518 -0.01056 -0.00900 0.00857  4   LYS A O   
114  C  CB  A LYS A 12  ? 0.19636 0.15928 0.16870 0.02186  0.01468  0.00157  4   LYS A CB  
115  C  CB  B LYS A 12  ? 0.20142 0.16282 0.13665 0.02420  0.01586  0.00127  4   LYS A CB  
116  C  CG  A LYS A 12  ? 0.21514 0.19465 0.21272 0.04275  0.03739  -0.00039 4   LYS A CG  
117  C  CG  B LYS A 12  ? 0.23493 0.21786 0.17352 0.03394  0.04690  0.00222  4   LYS A CG  
118  C  CD  A LYS A 12  ? 0.26650 0.24643 0.26824 0.08397  0.03300  -0.00908 4   LYS A CD  
119  C  CD  B LYS A 12  ? 0.33630 0.30180 0.24690 0.03357  0.04146  -0.00029 4   LYS A CD  
120  C  CE  A LYS A 12  ? 0.35475 0.30768 0.32428 0.05161  0.00940  -0.01557 4   LYS A CE  
121  C  CE  B LYS A 12  ? 0.45449 0.38591 0.32676 -0.00106 0.01248  0.00899  4   LYS A CE  
122  N  NZ  A LYS A 12  ? 0.38265 0.34401 0.35665 -0.00089 0.00878  -0.01874 4   LYS A NZ  
123  N  NZ  B LYS A 12  ? 0.51284 0.43867 0.37680 0.00603  0.00275  0.02483  4   LYS A NZ  
150  N  N   . VAL A 13  ? 0.16675 0.12533 0.13520 0.00369  0.00313  0.00668  5   VAL A N   
151  C  CA  . VAL A 13  ? 0.16282 0.12275 0.13376 0.00435  0.00766  0.00353  5   VAL A CA  
152  C  C   . VAL A 13  ? 0.16217 0.12869 0.14446 -0.00195 0.01054  -0.00014 5   VAL A C   
153  O  O   . VAL A 13  ? 0.15520 0.13740 0.18460 0.00067  0.01884  0.00920  5   VAL A O   
154  C  CB  . VAL A 13  ? 0.16413 0.12804 0.14160 -0.00091 0.00456  0.00385  5   VAL A CB  
155  C  CG1 . VAL A 13  ? 0.16006 0.14562 0.14285 -0.00356 -0.00028 -0.00986 5   VAL A CG1 
156  C  CG2 . VAL A 13  ? 0.18551 0.13310 0.15017 0.01864  0.00771  -0.00262 5   VAL A CG2 
166  N  N   . THR A 14  ? 0.14723 0.11822 0.13741 0.00284  0.00967  -0.01231 6   THR A N   
167  C  CA  . THR A 14  ? 0.15185 0.12779 0.14152 0.00704  0.01321  -0.01697 6   THR A CA  
168  C  C   . THR A 14  ? 0.14086 0.11986 0.13582 -0.00138 0.02082  -0.01610 6   THR A C   
169  O  O   . THR A 14  ? 0.14955 0.15110 0.13749 -0.01635 -0.00315 -0.01172 6   THR A O   
170  C  CB  . THR A 14  ? 0.18062 0.15363 0.14894 0.01335  0.00805  -0.03140 6   THR A CB  
171  O  OG1 . THR A 14  ? 0.23134 0.18048 0.15035 0.01152  0.01345  -0.02596 6   THR A OG1 
172  C  CG2 . THR A 14  ? 0.19187 0.16866 0.16945 0.01426  0.02907  -0.03218 6   THR A CG2 
180  N  N   . LEU A 15  ? 0.13782 0.11953 0.14792 -0.00549 0.01522  -0.02209 7   LEU A N   
181  C  CA  . LEU A 15  ? 0.13428 0.12729 0.14347 0.00382  0.01021  -0.02129 7   LEU A CA  
182  C  C   . LEU A 15  ? 0.13376 0.13192 0.14996 0.00132  0.01184  -0.03273 7   LEU A C   
183  O  O   . LEU A 15  ? 0.14140 0.14267 0.17208 0.00505  0.02550  -0.01018 7   LEU A O   
184  C  CB  . LEU A 15  ? 0.13973 0.13420 0.15676 -0.00376 0.00005  -0.02727 7   LEU A CB  
185  C  CG  . LEU A 15  ? 0.15480 0.12592 0.15720 0.00500  -0.00981 -0.02837 7   LEU A CG  
186  C  CD1 . LEU A 15  ? 0.20814 0.13869 0.16186 0.00176  -0.01498 -0.03339 7   LEU A CD1 
187  C  CD2 . LEU A 15  ? 0.16040 0.14975 0.13888 0.02357  -0.00166 -0.02209 7   LEU A CD2 
199  N  N   . VAL A 16  ? 0.11881 0.12673 0.14508 0.00260  0.01736  -0.02490 8   VAL A N   
200  C  CA  . VAL A 16  ? 0.12551 0.13305 0.14096 0.00040  0.01577  -0.03262 8   VAL A CA  
201  C  C   . VAL A 16  ? 0.12191 0.14142 0.15043 0.01426  0.00799  -0.03628 8   VAL A C   
202  O  O   . VAL A 16  ? 0.14148 0.16027 0.14348 0.01280  0.00907  -0.03545 8   VAL A O   
203  C  CB  . VAL A 16  ? 0.14231 0.12626 0.14520 0.00652  0.01790  -0.02711 8   VAL A CB  
204  C  CG1 . VAL A 16  ? 0.17235 0.14269 0.14050 0.01732  0.01384  -0.02474 8   VAL A CG1 
205  C  CG2 . VAL A 16  ? 0.14299 0.13932 0.16663 -0.00515 0.00095  -0.02775 8   VAL A CG2 
215  N  N   . THR A 17  ? 0.13024 0.17080 0.15257 -0.00415 0.00422  -0.05545 9   THR A N   
216  C  CA  . THR A 17  ? 0.12278 0.18875 0.15892 0.00068  0.01462  -0.06045 9   THR A CA  
217  C  C   . THR A 17  ? 0.13341 0.19981 0.17528 0.00288  0.00599  -0.06413 9   THR A C   
218  O  O   . THR A 17  ? 0.15069 0.20199 0.18655 0.00486  0.01503  -0.07187 9   THR A O   
219  C  CB  . THR A 17  ? 0.13377 0.18477 0.16534 -0.00077 0.01043  -0.06780 9   THR A CB  
220  O  OG1 . THR A 17  ? 0.15116 0.18679 0.18902 -0.01095 0.01829  -0.07730 9   THR A OG1 
221  C  CG2 . THR A 17  ? 0.15302 0.18086 0.17475 0.00057  0.00033  -0.04765 9   THR A CG2 
229  N  N   . PRO A 18  ? 0.14347 0.21475 0.17570 0.02462  -0.00463 -0.06760 10  PRO A N   
230  C  CA  . PRO A 18  ? 0.17602 0.24568 0.19737 0.04821  0.00234  -0.04659 10  PRO A CA  
231  C  C   . PRO A 18  ? 0.16308 0.25763 0.21866 0.04844  0.00381  -0.05901 10  PRO A C   
232  O  O   . PRO A 18  ? 0.21006 0.29733 0.26641 0.08259  0.02486  -0.03836 10  PRO A O   
233  C  CB  . PRO A 18  ? 0.19085 0.26930 0.19685 0.04882  0.00026  -0.03517 10  PRO A CB  
234  C  CG  . PRO A 18  ? 0.17952 0.25972 0.17749 0.04231  -0.00907 -0.04846 10  PRO A CG  
235  C  CD  . PRO A 18  ? 0.15710 0.23629 0.16997 0.03082  -0.00708 -0.05517 10  PRO A CD  
243  N  N   . THR A 19  ? 0.14298 0.24444 0.20690 0.00544  -0.01102 -0.08044 11  THR A N   
244  C  CA  . THR A 19  ? 0.13291 0.25219 0.21585 -0.01303 0.01238  -0.07887 11  THR A CA  
245  C  C   . THR A 19  ? 0.14561 0.23366 0.20461 -0.01871 0.02966  -0.07265 11  THR A C   
246  O  O   . THR A 19  ? 0.18118 0.28296 0.21431 -0.05773 0.01805  -0.06526 11  THR A O   
247  C  CB  . THR A 19  ? 0.16325 0.26227 0.24018 -0.02594 -0.00722 -0.08517 11  THR A CB  
248  O  OG1 . THR A 19  ? 0.17684 0.25549 0.24600 -0.02832 0.00350  -0.08155 11  THR A OG1 
249  C  CG2 . THR A 19  ? 0.17553 0.27980 0.25425 -0.00920 -0.03506 -0.08391 11  THR A CG2 
257  N  N   . GLY A 20  ? 0.13319 0.18723 0.18393 -0.01461 0.01574  -0.06311 12  GLY A N   
258  C  CA  . GLY A 20  ? 0.14451 0.17113 0.18276 -0.00744 0.01491  -0.05750 12  GLY A CA  
259  C  C   . GLY A 20  ? 0.13253 0.15455 0.18219 -0.00493 0.02231  -0.05884 12  GLY A C   
260  O  O   . GLY A 20  ? 0.14256 0.17804 0.17991 0.00721  0.01819  -0.07209 12  GLY A O   
264  N  N   . ASN A 21  ? 0.15240 0.13246 0.15540 -0.00065 0.02045  -0.04205 13  ASN A N   
265  C  CA  . ASN A 21  ? 0.13212 0.12368 0.15539 0.00475  0.01860  -0.02735 13  ASN A CA  
266  C  C   . ASN A 21  ? 0.15646 0.12390 0.17342 -0.00421 0.02851  -0.02640 13  ASN A C   
267  O  O   . ASN A 21  ? 0.17693 0.13510 0.20988 -0.00473 0.05790  -0.01063 13  ASN A O   
268  C  CB  . ASN A 21  ? 0.14246 0.12449 0.14682 0.00036  0.00395  -0.02329 13  ASN A CB  
269  C  CG  . ASN A 21  ? 0.13867 0.12371 0.14269 0.00510  0.00457  -0.02519 13  ASN A CG  
270  O  OD1 . ASN A 21  ? 0.16136 0.12605 0.13563 0.00999  0.02479  -0.02439 13  ASN A OD1 
271  N  ND2 . ASN A 21  ? 0.20160 0.12728 0.14150 -0.00683 -0.00331 -0.02108 13  ASN A ND2 
278  N  N   . VAL A 22  ? 0.16484 0.11274 0.18403 0.00038  0.03399  -0.02440 14  VAL A N   
279  C  CA  . VAL A 22  ? 0.16944 0.12405 0.19516 0.00328  0.04263  -0.01162 14  VAL A CA  
280  C  C   . VAL A 22  ? 0.15993 0.13661 0.19891 0.00499  0.04559  0.00340  14  VAL A C   
281  O  O   . VAL A 22  ? 0.17798 0.18285 0.22166 -0.00278 0.04128  0.03651  14  VAL A O   
282  C  CB  . VAL A 22  ? 0.20435 0.13366 0.21225 -0.01126 0.04294  -0.02250 14  VAL A CB  
283  C  CG1 . VAL A 22  ? 0.25051 0.16917 0.22987 -0.00488 0.02057  -0.02465 14  VAL A CG1 
284  C  CG2 . VAL A 22  ? 0.23102 0.14543 0.22247 -0.00221 0.03309  -0.03472 14  VAL A CG2 
294  N  N   . GLU A 23  ? 0.16785 0.14448 0.20594 0.01214  0.06475  0.01021  15  GLU A N   
295  C  CA  . GLU A 23  ? 0.18277 0.14825 0.20503 0.01024  0.04721  0.00174  15  GLU A CA  
296  C  C   . GLU A 23  ? 0.18997 0.15443 0.19687 -0.00179 0.03446  0.01613  15  GLU A C   
297  O  O   . GLU A 23  ? 0.19375 0.16411 0.24075 0.00168  0.04356  0.02157  15  GLU A O   
298  C  CB  . GLU A 23  ? 0.24949 0.19564 0.25525 0.01102  0.01791  -0.03161 15  GLU A CB  
299  C  CG  . GLU A 23  ? 0.40175 0.24971 0.31903 0.01327  -0.00915 -0.05669 15  GLU A CG  
300  C  CD  . GLU A 23  ? 0.62024 0.29785 0.38304 -0.01555 -0.02550 -0.06210 15  GLU A CD  
301  O  OE1 . GLU A 23  ? 0.62677 0.32938 0.37900 -0.00241 0.02269  -0.05790 15  GLU A OE1 
302  O  OE2 . GLU A 23  ? 0.66929 0.30888 0.43894 -0.04321 -0.05904 -0.06370 15  GLU A OE2 
309  N  N   . PHE A 24  ? 0.18014 0.13417 0.17273 0.00343  0.02670  0.00480  16  PHE A N   
310  C  CA  . PHE A 24  ? 0.19400 0.13096 0.17770 0.00074  0.02739  0.01266  16  PHE A CA  
311  C  C   . PHE A 24  ? 0.18149 0.12733 0.15344 0.00380  0.01469  0.00524  16  PHE A C   
312  O  O   . PHE A 24  ? 0.18059 0.13008 0.17142 0.00639  0.01426  0.01824  16  PHE A O   
313  C  CB  . PHE A 24  ? 0.19927 0.13737 0.19356 -0.00401 0.00394  0.01175  16  PHE A CB  
314  C  CG  . PHE A 24  ? 0.20855 0.14645 0.19079 -0.01604 -0.00683 -0.01930 16  PHE A CG  
315  C  CD1 . PHE A 24  ? 0.25298 0.16021 0.18994 0.00403  -0.02136 -0.01121 16  PHE A CD1 
316  C  CD2 . PHE A 24  ? 0.21050 0.17669 0.19839 -0.01612 -0.00382 -0.04090 16  PHE A CD2 
317  C  CE1 . PHE A 24  ? 0.27160 0.17165 0.18517 -0.00903 -0.03705 -0.01413 16  PHE A CE1 
318  C  CE2 . PHE A 24  ? 0.22082 0.19625 0.20226 -0.02903 -0.00832 -0.04635 16  PHE A CE2 
319  C  CZ  . PHE A 24  ? 0.25957 0.18871 0.19740 -0.04262 -0.01659 -0.03175 16  PHE A CZ  
329  N  N   . GLN A 25  ? 0.19037 0.13186 0.15449 -0.00151 0.01434  0.01326  17  GLN A N   
330  C  CA  . GLN A 25  ? 0.18923 0.13412 0.14707 0.00566  -0.00168 0.01046  17  GLN A CA  
331  C  C   . GLN A 25  ? 0.20352 0.13321 0.15762 0.00142  0.00671  -0.00240 17  GLN A C   
332  O  O   . GLN A 25  ? 0.24017 0.15128 0.21045 -0.02057 0.03758  -0.02895 17  GLN A O   
333  C  CB  . GLN A 25  ? 0.21768 0.14303 0.14732 0.00691  0.00596  0.02299  17  GLN A CB  
334  C  CG  . GLN A 25  ? 0.23156 0.17023 0.14614 0.00180  0.00850  0.03309  17  GLN A CG  
335  C  CD  . GLN A 25  ? 0.23391 0.15988 0.15314 0.02254  0.00743  0.02248  17  GLN A CD  
336  O  OE1 . GLN A 25  ? 0.24941 0.16436 0.19646 0.01262  0.02686  0.01398  17  GLN A OE1 
337  N  NE2 . GLN A 25  ? 0.24823 0.16839 0.15365 0.00318  -0.01636 0.01938  17  GLN A NE2 
346  N  N   . CYS A 26  ? 0.20119 0.13804 0.14053 0.00597  0.01231  0.00506  18  CYS A N   
347  C  CA  . CYS A 26  ? 0.21311 0.13287 0.12822 0.01683  0.00052  0.00334  18  CYS A CA  
348  C  C   . CYS A 26  ? 0.21709 0.14254 0.13236 0.03087  0.00079  -0.00157 18  CYS A C   
349  O  O   . CYS A 26  ? 0.20198 0.15493 0.13203 0.02994  -0.00215 -0.00163 18  CYS A O   
350  C  CB  . CYS A 26  ? 0.20490 0.14107 0.12932 0.01806  0.00871  0.00398  18  CYS A CB  
351  S  SG  . CYS A 26  ? 0.21925 0.14068 0.13019 0.01143  -0.00394 0.00008  18  CYS A SG  
357  N  N   . PRO A 27  ? 0.24297 0.14102 0.14580 0.03905  0.01407  0.00607  19  PRO A N   
358  C  CA  . PRO A 27  ? 0.25740 0.16034 0.14707 0.05951  0.00428  0.00409  19  PRO A CA  
359  C  C   . PRO A 27  ? 0.22808 0.17729 0.14126 0.06353  0.00797  -0.00341 19  PRO A C   
360  O  O   . PRO A 27  ? 0.23143 0.18333 0.12729 0.05586  -0.00159 -0.00281 19  PRO A O   
361  C  CB  . PRO A 27  ? 0.29615 0.15828 0.16818 0.05457  0.01470  0.00344  19  PRO A CB  
362  C  CG  . PRO A 27  ? 0.31690 0.14724 0.17612 0.02884  0.00957  0.01335  19  PRO A CG  
363  C  CD  . PRO A 27  ? 0.27375 0.13555 0.16840 0.01903  0.01047  -0.00077 19  PRO A CD  
371  N  N   . ASP A 28  ? 0.23381 0.19609 0.13481 0.06687  0.00246  -0.00715 20  ASP A N   
372  C  CA  . ASP A 28  ? 0.22842 0.21236 0.14570 0.05662  -0.00042 -0.01455 20  ASP A CA  
373  C  C   . ASP A 28  ? 0.21922 0.19658 0.14409 0.05887  -0.00110 -0.00303 20  ASP A C   
374  O  O   . ASP A 28  ? 0.24519 0.20041 0.16080 0.05176  0.00190  -0.00792 20  ASP A O   
375  C  CB  . ASP A 28  ? 0.22516 0.24968 0.16926 0.04361  -0.00993 -0.02371 20  ASP A CB  
376  C  CG  . ASP A 28  ? 0.27229 0.28765 0.19821 0.05628  -0.04330 -0.04108 20  ASP A CG  
377  O  OD1 . ASP A 28  ? 0.27802 0.28047 0.21260 0.09547  -0.03420 -0.03348 20  ASP A OD1 
378  O  OD2 . ASP A 28  ? 0.30570 0.33816 0.24346 0.07396  -0.06084 -0.04439 20  ASP A OD2 
383  N  N   . ASP A 29  ? 0.23635 0.18056 0.15008 0.05810  -0.00030 -0.00612 21  ASP A N   
384  C  CA  . ASP A 29  ? 0.23678 0.17882 0.16334 0.06604  0.01685  -0.00586 21  ASP A CA  
385  C  C   . ASP A 29  ? 0.24509 0.15322 0.15305 0.04877  0.00610  -0.00040 21  ASP A C   
386  O  O   . ASP A 29  ? 0.28945 0.15447 0.16196 0.05813  -0.00415 -0.00852 21  ASP A O   
387  C  CB  . ASP A 29  ? 0.26747 0.19920 0.19528 0.08775  0.01001  -0.00852 21  ASP A CB  
388  C  CG  . ASP A 29  ? 0.30251 0.20744 0.22716 0.09304  0.00978  0.01776  21  ASP A CG  
389  O  OD1 . ASP A 29  ? 0.32140 0.20067 0.20268 0.08434  0.00862  0.03101  21  ASP A OD1 
390  O  OD2 . ASP A 29  ? 0.36680 0.23276 0.27403 0.12273  0.01943  0.03840  21  ASP A OD2 
395  N  N   . VAL A 30  ? 0.25173 0.13944 0.13971 0.04824  0.00954  0.00406  22  VAL A N   
396  C  CA  . VAL A 30  ? 0.24179 0.14250 0.14680 0.03030  -0.00010 0.00726  22  VAL A CA  
397  C  C   . VAL A 30  ? 0.20602 0.13755 0.14002 0.02090  0.01981  0.00708  22  VAL A C   
398  O  O   . VAL A 30  ? 0.23156 0.13671 0.12809 0.03321  0.00982  0.00483  22  VAL A O   
399  C  CB  . VAL A 30  ? 0.26293 0.15561 0.17166 0.01346  0.01594  0.02928  22  VAL A CB  
400  C  CG1 . VAL A 30  ? 0.26375 0.17940 0.19071 0.00192  0.02311  0.03712  22  VAL A CG1 
401  C  CG2 . VAL A 30  ? 0.26724 0.15682 0.18865 0.01475  0.01253  0.02977  22  VAL A CG2 
411  N  N   . TYR A 31  ? 0.21487 0.12948 0.12539 0.00956  0.00840  0.00253  23  TYR A N   
412  C  CA  . TYR A 31  ? 0.19283 0.12837 0.12809 0.01543  0.01220  0.00876  23  TYR A CA  
413  C  C   . TYR A 31  ? 0.18178 0.13069 0.12439 0.00137  0.00686  0.00971  23  TYR A C   
414  O  O   . TYR A 31  ? 0.19495 0.13107 0.15410 -0.00621 0.02504  0.01134  23  TYR A O   
415  C  CB  . TYR A 31  ? 0.19229 0.13411 0.13472 0.01402  0.01141  0.00391  23  TYR A CB  
416  C  CG  . TYR A 31  ? 0.19998 0.13454 0.12924 0.02748  0.00780  0.00600  23  TYR A CG  
417  C  CD1 . TYR A 31  ? 0.19589 0.13107 0.13642 0.02584  0.00461  0.00135  23  TYR A CD1 
418  C  CD2 . TYR A 31  ? 0.22058 0.14558 0.16480 0.01652  0.01517  -0.01388 23  TYR A CD2 
419  C  CE1 . TYR A 31  ? 0.20441 0.14046 0.14914 0.03128  0.01818  0.00331  23  TYR A CE1 
420  C  CE2 . TYR A 31  ? 0.23637 0.14864 0.16974 0.02776  0.01833  -0.02038 23  TYR A CE2 
421  C  CZ  . TYR A 31  ? 0.21480 0.15197 0.16427 0.03962  0.03262  -0.01052 23  TYR A CZ  
422  O  OH  . TYR A 31  ? 0.23889 0.17404 0.19631 0.04191  0.04837  -0.02639 23  TYR A OH  
432  N  N   . ILE A 32  ? 0.17390 0.12166 0.12258 -0.00477 0.01962  -0.00502 24  ILE A N   
433  C  CA  . ILE A 32  ? 0.18176 0.13049 0.12324 -0.00769 0.01665  -0.01255 24  ILE A CA  
434  C  C   . ILE A 32  ? 0.17433 0.12347 0.13708 -0.00519 0.02413  -0.00801 24  ILE A C   
435  O  O   . ILE A 32  ? 0.18029 0.13303 0.15096 -0.01985 0.03630  -0.01298 24  ILE A O   
436  C  CB  . ILE A 32  ? 0.17118 0.12244 0.13693 -0.00621 0.02252  -0.02506 24  ILE A CB  
437  C  CG1 . ILE A 32  ? 0.17744 0.13789 0.15257 -0.00443 0.00822  -0.02465 24  ILE A CG1 
438  C  CG2 . ILE A 32  ? 0.18626 0.13604 0.15755 -0.01226 0.01801  -0.02559 24  ILE A CG2 
439  C  CD1 . ILE A 32  ? 0.19507 0.15459 0.15176 -0.00545 -0.00034 -0.00998 24  ILE A CD1 
451  N  N   . LEU A 33  ? 0.16188 0.11986 0.14003 -0.01306 0.01613  -0.01253 25  LEU A N   
452  C  CA  . LEU A 33  ? 0.17635 0.12448 0.15583 -0.01682 0.02557  -0.01174 25  LEU A CA  
453  C  C   . LEU A 33  ? 0.19234 0.13139 0.15690 -0.02739 0.03200  -0.01061 25  LEU A C   
454  O  O   . LEU A 33  ? 0.19326 0.14256 0.17674 -0.02900 0.04177  -0.01326 25  LEU A O   
455  C  CB  . LEU A 33  ? 0.18140 0.13325 0.15320 -0.01974 0.01671  -0.01618 25  LEU A CB  
456  C  CG  . LEU A 33  ? 0.17580 0.14360 0.16495 -0.02474 0.02298  -0.03128 25  LEU A CG  
457  C  CD1 . LEU A 33  ? 0.19957 0.16562 0.18109 -0.02539 0.01371  -0.03499 25  LEU A CD1 
458  C  CD2 . LEU A 33  ? 0.18944 0.16147 0.17679 -0.03385 0.00526  -0.03344 25  LEU A CD2 
470  N  N   . ASP A 34  ? 0.20527 0.12447 0.16458 -0.02563 0.03171  -0.00695 26  ASP A N   
471  C  CA  A ASP A 34  ? 0.24135 0.13053 0.17889 -0.01716 0.03604  -0.00699 26  ASP A CA  
472  C  CA  B ASP A 34  ? 0.23351 0.13319 0.17495 -0.01181 0.02883  -0.00217 26  ASP A CA  
473  C  C   . ASP A 34  ? 0.24087 0.12834 0.18239 -0.02971 0.03075  0.00225  26  ASP A C   
474  O  O   . ASP A 34  ? 0.26091 0.14453 0.19693 -0.04443 0.03682  0.00220  26  ASP A O   
475  C  CB  A ASP A 34  ? 0.27223 0.13511 0.18477 -0.01009 0.04162  -0.01389 26  ASP A CB  
476  C  CB  B ASP A 34  ? 0.24892 0.14920 0.17670 0.00014  0.01834  -0.00224 26  ASP A CB  
477  C  CG  A ASP A 34  ? 0.29042 0.18170 0.19867 0.01239  0.04070  -0.02493 26  ASP A CG  
478  C  CG  B ASP A 34  ? 0.24024 0.21050 0.19740 -0.00937 0.00208  -0.01475 26  ASP A CG  
479  O  OD1 A ASP A 34  ? 0.32143 0.21962 0.20889 0.03994  0.06291  -0.00975 26  ASP A OD1 
480  O  OD1 B ASP A 34  ? 0.28217 0.27462 0.22111 -0.02605 0.00061  -0.04286 26  ASP A OD1 
481  O  OD2 A ASP A 34  ? 0.31671 0.21365 0.20948 0.02936  0.03198  -0.03344 26  ASP A OD2 
482  O  OD2 B ASP A 34  ? 0.23937 0.21668 0.20044 -0.01385 0.00057  -0.00960 26  ASP A OD2 
491  N  N   . ALA A 35  ? 0.23708 0.13830 0.17606 -0.02566 0.03061  0.00454  27  ALA A N   
492  C  CA  . ALA A 35  ? 0.25945 0.15417 0.17031 -0.02675 0.01704  0.01110  27  ALA A CA  
493  C  C   . ALA A 35  ? 0.24037 0.16196 0.16124 -0.03329 0.03505  -0.01037 27  ALA A C   
494  O  O   . ALA A 35  ? 0.24617 0.19036 0.18698 -0.04357 0.05884  0.00882  27  ALA A O   
495  C  CB  . ALA A 35  ? 0.26148 0.18011 0.17629 -0.02533 0.01331  0.00752  27  ALA A CB  
501  N  N   . ALA A 36  ? 0.21940 0.15052 0.15885 -0.03618 0.03249  -0.00942 28  ALA A N   
502  C  CA  . ALA A 36  ? 0.20308 0.15834 0.16824 -0.02986 0.04183  -0.02520 28  ALA A CA  
503  C  C   . ALA A 36  ? 0.20913 0.15977 0.19428 -0.05605 0.05327  -0.02252 28  ALA A C   
504  O  O   . ALA A 36  ? 0.22475 0.18067 0.20558 -0.06682 0.05580  -0.02811 28  ALA A O   
505  C  CB  . ALA A 36  ? 0.19218 0.14928 0.18288 -0.04027 0.03415  -0.02261 28  ALA A CB  
511  N  N   . GLU A 37  ? 0.21961 0.15724 0.20059 -0.06259 0.05702  -0.04009 29  GLU A N   
512  C  CA  . GLU A 37  ? 0.23625 0.17189 0.22462 -0.06521 0.04503  -0.03296 29  GLU A CA  
513  C  C   . GLU A 37  ? 0.24695 0.17079 0.23758 -0.07739 0.04793  -0.03694 29  GLU A C   
514  O  O   . GLU A 37  ? 0.27802 0.19991 0.24932 -0.10391 0.06381  -0.03701 29  GLU A O   
515  C  CB  . GLU A 37  ? 0.23860 0.18044 0.22014 -0.07189 0.03570  -0.04478 29  GLU A CB  
516  C  CG  . GLU A 37  ? 0.25055 0.19530 0.21092 -0.04611 0.04328  -0.04259 29  GLU A CG  
517  C  CD  . GLU A 37  ? 0.29779 0.21460 0.22555 0.02142  0.04385  -0.02845 29  GLU A CD  
518  O  OE1 . GLU A 37  ? 0.38626 0.27006 0.23395 0.06021  0.06240  -0.00018 29  GLU A OE1 
519  O  OE2 . GLU A 37  ? 0.34697 0.24825 0.23003 0.02877  0.05792  -0.00659 29  GLU A OE2 
526  N  N   . GLU A 38  ? 0.26555 0.16729 0.24047 -0.06562 0.05404  -0.00426 30  GLU A N   
527  C  CA  . GLU A 38  ? 0.31698 0.20041 0.27652 -0.06488 0.07428  0.02472  30  GLU A CA  
528  C  C   . GLU A 38  ? 0.31706 0.19728 0.26549 -0.08411 0.07115  0.01732  30  GLU A C   
529  O  O   . GLU A 38  ? 0.34955 0.21690 0.28840 -0.09041 0.08377  0.02887  30  GLU A O   
530  C  CB  . GLU A 38  ? 0.36310 0.27271 0.33166 -0.03455 0.08980  0.07595  30  GLU A CB  
531  C  CG  . GLU A 38  ? 0.46037 0.41380 0.42950 -0.00946 0.11936  0.08403  30  GLU A CG  
532  C  CD  . GLU A 38  ? 0.61772 0.51758 0.51984 -0.02310 0.12054  0.09880  30  GLU A CD  
533  O  OE1 . GLU A 38  ? 0.90526 0.52819 0.52598 -0.02488 0.00759  0.11062  30  GLU A OE1 
534  O  OE2 . GLU A 38  ? 0.69066 0.55029 0.57662 -0.04948 0.22972  0.10174  30  GLU A OE2 
541  N  N   . GLU A 39  ? 0.29944 0.20227 0.23949 -0.08084 0.07856  -0.00725 31  GLU A N   
542  C  CA  . GLU A 39  ? 0.30710 0.23478 0.23571 -0.06649 0.08952  -0.01848 31  GLU A CA  
543  C  C   . GLU A 39  ? 0.30054 0.26109 0.24606 -0.07127 0.08382  -0.01625 31  GLU A C   
544  O  O   . GLU A 39  ? 0.31758 0.30108 0.26706 -0.03424 0.08085  -0.02371 31  GLU A O   
545  C  CB  . GLU A 39  ? 0.35421 0.28003 0.27350 -0.06298 0.07378  -0.01831 31  GLU A CB  
546  C  CG  . GLU A 39  ? 0.41832 0.36629 0.33148 -0.08349 0.04839  0.00320  31  GLU A CG  
547  C  CD  . GLU A 39  ? 0.59871 0.50214 0.40131 -0.06022 0.00473  0.01824  31  GLU A CD  
548  O  OE1 . GLU A 39  ? 0.56534 0.56425 0.42776 -0.06915 0.00109  0.00901  31  GLU A OE1 
549  O  OE2 . GLU A 39  ? 0.65968 0.54876 0.42255 0.00177  -0.00654 0.03957  31  GLU A OE2 
556  N  N   . GLY A 40  ? 0.28020 0.25355 0.25092 -0.08652 0.07284  -0.01035 32  GLY A N   
557  C  CA  . GLY A 40  ? 0.25935 0.26713 0.26815 -0.07492 0.06753  -0.00668 32  GLY A CA  
558  C  C   . GLY A 40  ? 0.23131 0.27333 0.28149 -0.06889 0.05357  -0.01827 32  GLY A C   
559  O  O   . GLY A 40  ? 0.23680 0.30745 0.33449 -0.09011 0.04373  -0.01164 32  GLY A O   
563  N  N   . ILE A 41  ? 0.20855 0.23347 0.23404 -0.05728 0.05850  -0.03341 33  ILE A N   
564  C  CA  . ILE A 41  ? 0.20352 0.21914 0.22331 -0.03564 0.05315  -0.03834 33  ILE A CA  
565  C  C   . ILE A 41  ? 0.20451 0.21937 0.22188 -0.02024 0.04365  -0.03728 33  ILE A C   
566  O  O   . ILE A 41  ? 0.23992 0.24885 0.23029 0.01000  0.05317  -0.04024 33  ILE A O   
567  C  CB  . ILE A 41  ? 0.20895 0.21655 0.22805 -0.03345 0.05789  -0.04685 33  ILE A CB  
568  C  CG1 . ILE A 41  ? 0.24386 0.22459 0.24223 -0.04049 0.06350  -0.05253 33  ILE A CG1 
569  C  CG2 . ILE A 41  ? 0.21588 0.22183 0.24448 -0.03627 0.06465  -0.02643 33  ILE A CG2 
570  C  CD1 . ILE A 41  ? 0.27617 0.21719 0.24663 -0.04292 0.05849  -0.05196 33  ILE A CD1 
582  N  N   . ASP A 42  ? 0.18158 0.22331 0.24020 -0.02504 0.04734  -0.04866 34  ASP A N   
583  C  CA  . ASP A 42  ? 0.18036 0.21905 0.25588 -0.02790 0.03616  -0.05518 34  ASP A CA  
584  C  C   . ASP A 42  ? 0.17124 0.20809 0.23323 -0.01394 0.03051  -0.06763 34  ASP A C   
585  O  O   . ASP A 42  ? 0.18718 0.22776 0.25048 -0.01145 0.05009  -0.04932 34  ASP A O   
586  C  CB  . ASP A 42  ? 0.18366 0.25577 0.33769 -0.04094 0.01418  -0.04319 34  ASP A CB  
587  C  CG  . ASP A 42  ? 0.22070 0.29796 0.43561 -0.04147 -0.00368 -0.01688 34  ASP A CG  
588  O  OD1 . ASP A 42  ? 0.24543 0.29280 0.48936 -0.02853 -0.01136 -0.00825 34  ASP A OD1 
589  O  OD2 . ASP A 42  ? 0.23562 0.32809 0.45579 -0.05192 0.00832  -0.01168 34  ASP A OD2 
594  N  N   . LEU A 43  ? 0.17757 0.19320 0.20667 -0.01251 0.03307  -0.06916 35  LEU A N   
595  C  CA  . LEU A 43  ? 0.16404 0.19290 0.19637 -0.02575 0.02421  -0.06947 35  LEU A CA  
596  C  C   . LEU A 43  ? 0.13752 0.19387 0.19594 -0.01673 0.01778  -0.07849 35  LEU A C   
597  O  O   . LEU A 43  ? 0.18615 0.20183 0.21097 -0.02977 0.02448  -0.08365 35  LEU A O   
598  C  CB  . LEU A 43  ? 0.15798 0.18478 0.18517 -0.02087 0.02344  -0.06511 35  LEU A CB  
599  C  CG  . LEU A 43  ? 0.18015 0.17682 0.19024 -0.01328 0.03120  -0.06391 35  LEU A CG  
600  C  CD1 . LEU A 43  ? 0.18539 0.19378 0.19543 -0.00389 0.01422  -0.06552 35  LEU A CD1 
601  C  CD2 . LEU A 43  ? 0.18546 0.17805 0.19137 -0.01290 0.01037  -0.06114 35  LEU A CD2 
613  N  N   . PRO A 44  ? 0.15638 0.19389 0.18762 -0.02056 0.01520  -0.07366 36  PRO A N   
614  C  CA  . PRO A 44  ? 0.16568 0.21001 0.17908 -0.01554 -0.00745 -0.07043 36  PRO A CA  
615  C  C   . PRO A 44  ? 0.16065 0.18373 0.16689 -0.01588 0.00127  -0.06942 36  PRO A C   
616  O  O   . PRO A 44  ? 0.14250 0.17463 0.17326 -0.01707 0.00171  -0.07073 36  PRO A O   
617  C  CB  . PRO A 44  ? 0.16680 0.22092 0.19127 0.01364  -0.00912 -0.05581 36  PRO A CB  
618  C  CG  . PRO A 44  ? 0.17323 0.20917 0.19948 0.02744  -0.00391 -0.05570 36  PRO A CG  
619  C  CD  . PRO A 44  ? 0.16615 0.20237 0.20616 -0.00120 0.00814  -0.06080 36  PRO A CD  
627  N  N   . TYR A 45  ? 0.15653 0.19499 0.17786 -0.02098 -0.00676 -0.07559 37  TYR A N   
628  C  CA  . TYR A 45  ? 0.16241 0.17174 0.17024 -0.01217 -0.00146 -0.06975 37  TYR A CA  
629  C  C   . TYR A 45  ? 0.16513 0.18862 0.17744 -0.02223 -0.01073 -0.07626 37  TYR A C   
630  O  O   . TYR A 45  ? 0.17843 0.21203 0.19373 -0.01738 -0.00957 -0.08814 37  TYR A O   
631  C  CB  . TYR A 45  ? 0.17221 0.17367 0.17330 -0.03349 0.01829  -0.06891 37  TYR A CB  
632  C  CG  . TYR A 45  ? 0.19592 0.17605 0.19483 -0.04765 0.02473  -0.06168 37  TYR A CG  
633  C  CD1 . TYR A 45  ? 0.24033 0.17501 0.19570 -0.04909 0.02910  -0.06967 37  TYR A CD1 
634  C  CD2 . TYR A 45  ? 0.20862 0.20631 0.21189 -0.06311 0.03370  -0.07252 37  TYR A CD2 
635  C  CE1 . TYR A 45  ? 0.27282 0.20079 0.21062 -0.07573 0.01333  -0.07068 37  TYR A CE1 
636  C  CE2 . TYR A 45  ? 0.25049 0.22519 0.22489 -0.07968 0.05158  -0.06528 37  TYR A CE2 
637  C  CZ  . TYR A 45  ? 0.27741 0.22165 0.23388 -0.10519 0.02565  -0.07616 37  TYR A CZ  
638  O  OH  . TYR A 45  ? 0.33461 0.25424 0.26774 -0.13319 0.03335  -0.06127 37  TYR A OH  
648  N  N   . SER A 46  ? 0.16694 0.19643 0.15971 -0.01104 -0.00290 -0.07720 38  SER A N   
649  C  CA  A SER A 46  ? 0.18751 0.20037 0.16892 -0.01104 0.00912  -0.07674 38  SER A CA  
650  C  CA  B SER A 46  ? 0.19201 0.19684 0.16264 -0.00687 0.00649  -0.07437 38  SER A CA  
651  C  C   . SER A 46  ? 0.21309 0.18810 0.16845 -0.01574 -0.01190 -0.07676 38  SER A C   
652  O  O   . SER A 46  ? 0.22523 0.18705 0.20589 -0.02820 0.00718  -0.06953 38  SER A O   
653  C  CB  A SER A 46  ? 0.18350 0.21222 0.17469 -0.01537 0.00081  -0.07154 38  SER A CB  
654  C  CB  B SER A 46  ? 0.20429 0.21875 0.16251 -0.01379 -0.01016 -0.06486 38  SER A CB  
655  O  OG  A SER A 46  ? 0.21353 0.20779 0.16967 -0.01127 -0.00440 -0.06958 38  SER A OG  
656  O  OG  B SER A 46  ? 0.22610 0.24464 0.16304 -0.01161 -0.03060 -0.06887 38  SER A OG  
667  N  N   . CYS A 47  ? 0.20613 0.17118 0.15121 0.00706  -0.01534 -0.06342 39  CYS A N   
668  C  CA  . CYS A 47  ? 0.21974 0.16274 0.15084 0.00337  -0.00250 -0.06434 39  CYS A CA  
669  C  C   . CYS A 47  ? 0.19416 0.14789 0.16751 -0.01159 0.02369  -0.05120 39  CYS A C   
670  O  O   . CYS A 47  ? 0.21219 0.13712 0.19248 -0.00073 0.01828  -0.05113 39  CYS A O   
671  C  CB  . CYS A 47  ? 0.21907 0.15786 0.14633 -0.00186 0.02282  -0.04901 39  CYS A CB  
672  S  SG  . CYS A 47  ? 0.18618 0.13727 0.14540 0.01184  0.01180  -0.02808 39  CYS A SG  
677  N  N   . ARG A 48  ? 0.18613 0.13331 0.15165 -0.00674 0.01571  -0.04028 40  ARG A N   
678  C  CA  . ARG A 48  ? 0.18943 0.13414 0.16788 -0.00829 0.02014  -0.03104 40  ARG A CA  
679  C  C   . ARG A 48  ? 0.19885 0.12717 0.17306 -0.00041 0.00313  -0.02168 40  ARG A C   
680  O  O   . ARG A 48  ? 0.21605 0.16507 0.18735 0.00401  0.01208  0.01561  40  ARG A O   
681  C  CB  . ARG A 48  ? 0.21861 0.15146 0.18314 -0.02152 0.02830  -0.02745 40  ARG A CB  
682  C  CG  . ARG A 48  ? 0.23428 0.16470 0.19379 -0.03762 0.03786  -0.03934 40  ARG A CG  
683  C  CD  . ARG A 48  ? 0.26259 0.18469 0.20978 -0.03565 0.04141  -0.03985 40  ARG A CD  
684  N  NE  . ARG A 48  ? 0.28267 0.20565 0.22285 -0.05109 0.03747  -0.01554 40  ARG A NE  
685  C  CZ  . ARG A 48  ? 0.29651 0.22157 0.23064 -0.05701 0.03320  -0.00713 40  ARG A CZ  
686  N  NH1 . ARG A 48  ? 0.29016 0.22048 0.23666 -0.05667 0.04360  -0.01309 40  ARG A NH1 
687  N  NH2 . ARG A 48  ? 0.32606 0.24570 0.23854 -0.04297 0.04534  -0.00294 40  ARG A NH2 
701  N  N   . ALA A 49  ? 0.18967 0.12688 0.15053 -0.00237 0.01081  -0.01785 41  ALA A N   
702  C  CA  . ALA A 49  ? 0.18047 0.13877 0.16828 0.01494  0.02218  -0.01734 41  ALA A CA  
703  C  C   . ALA A 49  ? 0.18547 0.13991 0.15755 0.02748  0.01784  -0.01468 41  ALA A C   
704  O  O   . ALA A 49  ? 0.19699 0.15537 0.23409 0.02108  0.04065  -0.02259 41  ALA A O   
705  C  CB  . ALA A 49  ? 0.20706 0.17039 0.17983 0.01961  0.03300  -0.04959 41  ALA A CB  
711  N  N   . GLY A 50  ? 0.15906 0.13197 0.13387 0.00572  0.00789  -0.01670 42  GLY A N   
712  C  CA  . GLY A 50  ? 0.16482 0.13284 0.13065 -0.00463 0.00688  -0.01240 42  GLY A CA  
713  C  C   . GLY A 50  ? 0.15640 0.13115 0.12631 0.00972  0.01202  -0.01801 42  GLY A C   
714  O  O   . GLY A 50  ? 0.16564 0.13955 0.13371 0.00282  0.00152  -0.01141 42  GLY A O   
718  N  N   . SER A 51  ? 0.16523 0.13650 0.12647 0.00965  0.00165  -0.01999 43  SER A N   
719  C  CA  . SER A 51  ? 0.19765 0.13949 0.11442 0.01770  0.01223  -0.01539 43  SER A CA  
720  C  C   . SER A 51  ? 0.20524 0.14460 0.11594 0.03377  0.00677  -0.01469 43  SER A C   
721  O  O   . SER A 51  ? 0.23413 0.19093 0.12181 0.07104  0.01298  -0.01454 43  SER A O   
722  C  CB  . SER A 51  ? 0.19340 0.14489 0.13613 0.03167  0.01706  -0.02021 43  SER A CB  
723  O  OG  . SER A 51  ? 0.22625 0.15152 0.14023 0.01806  0.01899  -0.02285 43  SER A OG  
729  N  N   . CYS A 52  ? 0.20288 0.13619 0.11136 0.03259  0.01102  -0.01616 44  CYS A N   
730  C  CA  . CYS A 52  ? 0.19838 0.15071 0.11622 0.03728  -0.00196 -0.02013 44  CYS A CA  
731  C  C   . CYS A 52  ? 0.20419 0.14403 0.12300 0.03249  0.00319  -0.02192 44  CYS A C   
732  O  O   . CYS A 52  ? 0.20745 0.14642 0.13909 0.04060  -0.01357 -0.03316 44  CYS A O   
733  C  CB  . CYS A 52  ? 0.20034 0.16226 0.13459 0.04401  -0.01020 -0.03779 44  CYS A CB  
734  S  SG  . CYS A 52  ? 0.18656 0.15802 0.13814 0.02645  -0.01669 -0.04452 44  CYS A SG  
739  N  N   . SER A 53  ? 0.20002 0.15388 0.12570 0.04168  -0.00356 -0.02998 45  SER A N   
740  C  CA  . SER A 53  ? 0.21365 0.15811 0.13395 0.04512  -0.00289 -0.03010 45  SER A CA  
741  C  C   . SER A 53  ? 0.19191 0.15794 0.12787 0.03947  -0.02148 -0.03522 45  SER A C   
742  O  O   . SER A 53  ? 0.19805 0.15793 0.13820 0.04167  -0.00477 -0.03765 45  SER A O   
743  C  CB  . SER A 53  ? 0.23996 0.17825 0.14292 0.06233  -0.00261 -0.01274 45  SER A CB  
744  O  OG  . SER A 53  ? 0.25918 0.20525 0.14201 0.09088  -0.01419 -0.01758 45  SER A OG  
750  N  N   . SER A 54  ? 0.17133 0.16122 0.13295 0.02652  -0.01005 -0.03546 46  SER A N   
751  C  CA  A SER A 54  ? 0.17737 0.18411 0.13765 0.02118  -0.02305 -0.04749 46  SER A CA  
752  C  CA  B SER A 54  ? 0.17993 0.17466 0.14498 0.01700  -0.02118 -0.03921 46  SER A CA  
753  C  C   . SER A 54  ? 0.16257 0.17007 0.14396 0.01657  -0.01346 -0.05667 46  SER A C   
754  O  O   . SER A 54  ? 0.14918 0.18625 0.15622 0.02647  -0.01930 -0.05916 46  SER A O   
755  C  CB  A SER A 54  ? 0.18073 0.19493 0.14125 0.00836  -0.02414 -0.07440 46  SER A CB  
756  C  CB  B SER A 54  ? 0.18402 0.17352 0.16816 -0.00394 -0.02287 -0.05690 46  SER A CB  
757  O  OG  A SER A 54  ? 0.20477 0.21535 0.15692 0.00814  -0.02867 -0.06699 46  SER A OG  
758  O  OG  B SER A 54  ? 0.20837 0.19806 0.18148 -0.00907 -0.02442 -0.05782 46  SER A OG  
769  N  N   . CYS A 55  ? 0.14837 0.14306 0.12858 0.01149  -0.00738 -0.03726 47  CYS A N   
770  C  CA  . CYS A 55  ? 0.13922 0.13995 0.13215 0.00309  -0.00060 -0.04143 47  CYS A CA  
771  C  C   . CYS A 55  ? 0.14434 0.13487 0.12444 0.01293  0.00455  -0.03527 47  CYS A C   
772  O  O   . CYS A 55  ? 0.15303 0.13221 0.12011 -0.00102 0.00020  -0.03038 47  CYS A O   
773  C  CB  . CYS A 55  ? 0.12849 0.14398 0.13425 -0.00494 0.00224  -0.03952 47  CYS A CB  
774  S  SG  . CYS A 55  ? 0.13732 0.12152 0.12732 0.00103  -0.00234 -0.03125 47  CYS A SG  
779  N  N   . ALA A 56  ? 0.15307 0.13033 0.12016 0.01324  -0.00870 -0.02694 48  ALA A N   
780  C  CA  . ALA A 56  ? 0.15749 0.12881 0.12015 0.01291  -0.00609 -0.02613 48  ALA A CA  
781  C  C   . ALA A 56  ? 0.15041 0.13648 0.12669 0.03471  -0.01113 -0.03047 48  ALA A C   
782  O  O   . ALA A 56  ? 0.15726 0.15761 0.13989 0.03160  -0.01653 -0.04623 48  ALA A O   
783  C  CB  . ALA A 56  ? 0.19638 0.13927 0.12513 0.01088  -0.00067 -0.02165 48  ALA A CB  
789  N  N   . GLY A 57  ? 0.14113 0.12981 0.12921 0.01868  -0.00245 -0.03588 49  GLY A N   
790  C  CA  . GLY A 57  ? 0.15023 0.13270 0.12096 0.00964  -0.00104 -0.02769 49  GLY A CA  
791  C  C   . GLY A 57  ? 0.14367 0.12110 0.11217 0.02173  -0.00861 -0.01513 49  GLY A C   
792  O  O   . GLY A 57  ? 0.15720 0.11809 0.12378 0.01175  0.00728  -0.01486 49  GLY A O   
796  N  N   . LYS A 58  ? 0.14206 0.12049 0.12053 0.00886  -0.00761 -0.02538 50  LYS A N   
797  C  CA  . LYS A 58  ? 0.14731 0.11747 0.12630 0.01511  -0.00133 -0.01858 50  LYS A CA  
798  C  C   . LYS A 58  ? 0.15248 0.11290 0.12388 -0.00056 0.00171  -0.02858 50  LYS A C   
799  O  O   . LYS A 58  ? 0.15339 0.15080 0.12320 -0.01294 -0.00540 -0.02842 50  LYS A O   
800  C  CB  . LYS A 58  ? 0.18634 0.13402 0.17723 0.02013  -0.01674 -0.01602 50  LYS A CB  
801  C  CG  . LYS A 58  ? 0.24077 0.19667 0.21751 0.04312  -0.03107 0.00686  50  LYS A CG  
802  C  CD  . LYS A 58  ? 0.36480 0.32268 0.27844 0.01758  -0.00713 -0.02128 50  LYS A CD  
803  C  CE  . LYS A 58  ? 0.49158 0.41316 0.34473 -0.01277 -0.01001 -0.03199 50  LYS A CE  
804  N  NZ  . LYS A 58  ? 0.52529 0.45422 0.39868 0.03161  -0.02463 -0.02708 50  LYS A NZ  
818  N  N   . LEU A 59  ? 0.14607 0.12378 0.11761 0.00228  0.00320  -0.01989 51  LEU A N   
819  C  CA  . LEU A 59  ? 0.14463 0.12060 0.12452 -0.00579 -0.00565 -0.02305 51  LEU A CA  
820  C  C   . LEU A 59  ? 0.13609 0.12297 0.13265 -0.01301 -0.00682 -0.01926 51  LEU A C   
821  O  O   . LEU A 59  ? 0.19333 0.12947 0.16187 -0.03250 0.02429  -0.02276 51  LEU A O   
822  C  CB  . LEU A 59  ? 0.14712 0.14646 0.12905 0.00374  -0.00303 -0.01686 51  LEU A CB  
823  C  CG  . LEU A 59  ? 0.15514 0.15584 0.13145 0.00874  -0.00930 -0.02216 51  LEU A CG  
824  C  CD1 . LEU A 59  ? 0.16493 0.15604 0.12706 0.01019  -0.01078 -0.01500 51  LEU A CD1 
825  C  CD2 . LEU A 59  ? 0.14856 0.19690 0.14909 0.00566  -0.01103 -0.01719 51  LEU A CD2 
837  N  N   . LYS A 60  ? 0.14175 0.10411 0.11696 -0.00520 -0.01252 -0.02374 52  LYS A N   
838  C  CA  . LYS A 60  ? 0.14784 0.11793 0.12378 0.00423  -0.01892 -0.02897 52  LYS A CA  
839  C  C   . LYS A 60  ? 0.14102 0.11609 0.12985 -0.00155 -0.01413 -0.03045 52  LYS A C   
840  O  O   . LYS A 60  ? 0.17231 0.11730 0.14525 -0.00743 -0.02927 -0.02911 52  LYS A O   
841  C  CB  . LYS A 60  ? 0.15670 0.14357 0.14599 0.01777  -0.01959 -0.05296 52  LYS A CB  
842  C  CG  . LYS A 60  ? 0.19679 0.20419 0.19367 0.03208  -0.02278 -0.04307 52  LYS A CG  
843  C  CD  . LYS A 60  ? 0.24498 0.26895 0.28010 0.04135  -0.05449 0.00060  52  LYS A CD  
844  C  CE  . LYS A 60  ? 0.35778 0.33213 0.34453 0.05474  -0.04194 0.03237  52  LYS A CE  
845  N  NZ  . LYS A 60  ? 0.51904 0.39334 0.37999 0.05165  -0.04884 0.05339  52  LYS A NZ  
859  N  N   . THR A 61  ? 0.14642 0.11749 0.13244 0.00073  -0.01547 -0.02560 53  THR A N   
860  C  CA  . THR A 61  ? 0.14812 0.12774 0.12063 -0.00136 -0.01865 -0.02668 53  THR A CA  
861  C  C   . THR A 61  ? 0.13276 0.12130 0.11369 -0.01127 -0.01788 -0.01629 53  THR A C   
862  O  O   . THR A 61  ? 0.15076 0.12094 0.12927 -0.01308 -0.01479 -0.00953 53  THR A O   
863  C  CB  . THR A 61  ? 0.15610 0.16161 0.13571 0.01272  -0.00662 -0.02974 53  THR A CB  
864  O  OG1 . THR A 61  ? 0.17117 0.17187 0.15987 0.00616  -0.00625 -0.03583 53  THR A OG1 
865  C  CG2 . THR A 61  ? 0.17882 0.20703 0.12979 0.00909  -0.00436 -0.03523 53  THR A CG2 
873  N  N   . GLY A 62  ? 0.14885 0.12074 0.12580 0.00150  -0.00913 -0.02440 54  GLY A N   
874  C  CA  . GLY A 62  ? 0.15493 0.13165 0.12360 -0.00325 -0.02105 -0.01880 54  GLY A CA  
875  C  C   . GLY A 62  ? 0.14746 0.12719 0.11991 -0.00721 -0.01778 -0.01679 54  GLY A C   
876  O  O   . GLY A 62  ? 0.16780 0.13055 0.13648 0.00711  -0.00178 -0.01725 54  GLY A O   
880  N  N   . SER A 63  ? 0.13940 0.12734 0.13733 -0.00243 -0.01542 -0.01564 55  SER A N   
881  C  CA  . SER A 63  ? 0.13917 0.13160 0.16336 -0.00254 -0.00689 -0.02716 55  SER A CA  
882  C  C   . SER A 63  ? 0.12947 0.13199 0.14354 0.00605  -0.01421 -0.01815 55  SER A C   
883  O  O   . SER A 63  ? 0.15019 0.13116 0.14142 0.00504  -0.00692 -0.00882 55  SER A O   
884  C  CB  . SER A 63  ? 0.16337 0.16262 0.24243 -0.01243 -0.02229 -0.04722 55  SER A CB  
885  O  OG  . SER A 63  ? 0.18549 0.19540 0.30226 -0.01306 -0.03615 -0.05696 55  SER A OG  
891  N  N   . LEU A 64  ? 0.13462 0.13249 0.14675 -0.00178 -0.00656 -0.01177 56  LEU A N   
892  C  CA  . LEU A 64  ? 0.13763 0.13196 0.14414 0.00176  -0.00521 -0.01210 56  LEU A CA  
893  C  C   . LEU A 64  ? 0.13930 0.13351 0.15651 -0.00332 0.00627  -0.01708 56  LEU A C   
894  O  O   . LEU A 64  ? 0.17220 0.14455 0.22342 -0.01237 0.04321  -0.03184 56  LEU A O   
895  C  CB  . LEU A 64  ? 0.14896 0.14504 0.13041 0.00610  -0.00985 -0.01438 56  LEU A CB  
896  C  CG  . LEU A 64  ? 0.15470 0.15250 0.13040 0.02156  -0.01504 -0.02327 56  LEU A CG  
897  C  CD1 . LEU A 64  ? 0.16770 0.16548 0.15348 0.02660  -0.02878 -0.02509 56  LEU A CD1 
898  C  CD2 . LEU A 64  ? 0.13615 0.17363 0.15636 0.00548  -0.00913 -0.00935 56  LEU A CD2 
910  N  N   . ASN A 65  ? 0.13271 0.13509 0.13742 0.00373  0.00182  -0.01343 57  ASN A N   
911  C  CA  A ASN A 65  ? 0.13193 0.14879 0.14593 0.00984  0.00204  -0.02401 57  ASN A CA  
912  C  CA  B ASN A 65  ? 0.12784 0.14893 0.14483 0.01167  0.00466  -0.02236 57  ASN A CA  
913  C  C   . ASN A 65  ? 0.12174 0.13911 0.13482 0.01093  -0.00043 -0.02371 57  ASN A C   
914  O  O   . ASN A 65  ? 0.15172 0.15498 0.13899 -0.01160 0.00457  -0.01995 57  ASN A O   
915  C  CB  A ASN A 65  ? 0.14619 0.16306 0.15303 0.02195  -0.00831 -0.01434 57  ASN A CB  
916  C  CB  B ASN A 65  ? 0.13521 0.16323 0.15321 0.01642  0.00650  -0.01192 57  ASN A CB  
917  C  CG  A ASN A 65  ? 0.15760 0.18007 0.16608 0.04259  -0.00197 -0.00595 57  ASN A CG  
918  C  CG  B ASN A 65  ? 0.13762 0.18119 0.16777 0.03414  -0.00425 -0.01290 57  ASN A CG  
919  O  OD1 A ASN A 65  ? 0.15418 0.18449 0.15724 0.03271  0.00282  -0.00033 57  ASN A OD1 
920  O  OD1 B ASN A 65  ? 0.13822 0.15961 0.16132 0.02356  0.00163  -0.01831 57  ASN A OD1 
921  N  ND2 A ASN A 65  ? 0.22737 0.19751 0.17673 0.07254  0.02878  -0.00455 57  ASN A ND2 
922  N  ND2 B ASN A 65  ? 0.14998 0.20609 0.18534 0.02937  -0.01446 -0.02558 57  ASN A ND2 
935  N  N   . GLN A 66  ? 0.13550 0.13692 0.13981 0.00117  -0.00082 -0.01279 58  GLN A N   
936  C  CA  . GLN A 66  ? 0.13763 0.13532 0.14876 0.00602  -0.00001 -0.01330 58  GLN A CA  
937  C  C   . GLN A 66  ? 0.14277 0.14246 0.15465 0.00249  0.00564  -0.01015 58  GLN A C   
938  O  O   . GLN A 66  ? 0.16363 0.14742 0.14459 0.00814  0.00008  -0.01498 58  GLN A O   
939  C  CB  . GLN A 66  ? 0.14996 0.14376 0.14994 -0.01064 0.00661  -0.00371 58  GLN A CB  
940  C  CG  . GLN A 66  ? 0.14634 0.14407 0.15440 0.01288  0.00604  0.00110  58  GLN A CG  
941  C  CD  . GLN A 66  ? 0.14432 0.13643 0.15911 -0.00079 0.00341  -0.01025 58  GLN A CD  
942  O  OE1 . GLN A 66  ? 0.14982 0.13308 0.16759 0.01364  -0.01690 -0.01705 58  GLN A OE1 
943  N  NE2 . GLN A 66  ? 0.15974 0.14154 0.15899 0.00425  -0.01186 -0.00641 58  GLN A NE2 
952  N  N   . ASP A 67  ? 0.13505 0.16516 0.15388 0.00106  0.00448  -0.01944 59  ASP A N   
953  C  CA  . ASP A 67  ? 0.14120 0.19087 0.16657 0.00368  0.01452  -0.02276 59  ASP A CA  
954  C  C   . ASP A 67  ? 0.13899 0.17439 0.15735 0.00709  0.00807  -0.02083 59  ASP A C   
955  O  O   . ASP A 67  ? 0.16721 0.21173 0.16294 0.00522  0.02469  -0.02892 59  ASP A O   
956  C  CB  . ASP A 67  ? 0.14839 0.22174 0.18811 0.02426  0.00927  -0.02903 59  ASP A CB  
957  C  CG  . ASP A 67  ? 0.17030 0.25653 0.20239 0.01362  -0.00027 -0.01507 59  ASP A CG  
958  O  OD1 . ASP A 67  ? 0.20753 0.28826 0.23592 -0.03211 -0.02391 0.00621  59  ASP A OD1 
959  O  OD2 . ASP A 67  ? 0.17883 0.28849 0.21404 0.03719  -0.00679 -0.01787 59  ASP A OD2 
964  N  N   . ASP A 68  ? 0.14284 0.14908 0.15635 0.01322  0.00413  -0.02535 60  ASP A N   
965  C  CA  . ASP A 68  ? 0.16088 0.15163 0.15679 0.02370  0.00337  -0.02355 60  ASP A CA  
966  C  C   . ASP A 68  ? 0.17510 0.15245 0.14006 0.00741  0.00038  -0.02203 60  ASP A C   
967  O  O   . ASP A 68  ? 0.23940 0.17923 0.16682 0.00549  -0.01705 -0.03068 60  ASP A O   
968  C  CB  . ASP A 68  ? 0.16957 0.15136 0.17359 0.01766  -0.00129 -0.02179 60  ASP A CB  
969  C  CG  . ASP A 68  ? 0.18034 0.16924 0.21515 0.03166  0.01333  -0.00411 60  ASP A CG  
970  O  OD1 . ASP A 68  ? 0.19987 0.17909 0.23255 0.05103  0.00770  0.01361  60  ASP A OD1 
971  O  OD2 . ASP A 68  ? 0.23168 0.20525 0.25212 0.02922  -0.00349 0.02038  60  ASP A OD2 
976  N  N   . GLN A 69  ? 0.15835 0.14774 0.13948 -0.00143 -0.00182 -0.00535 61  GLN A N   
977  C  CA  . GLN A 69  ? 0.16244 0.16549 0.14353 -0.00683 0.00077  0.00672  61  GLN A CA  
978  C  C   . GLN A 69  ? 0.16421 0.17147 0.13666 -0.00304 0.00533  -0.00485 61  GLN A C   
979  O  O   . GLN A 69  ? 0.16932 0.21746 0.15557 -0.02004 0.01022  0.00256  61  GLN A O   
980  C  CB  . GLN A 69  ? 0.16700 0.18032 0.14429 0.02269  0.01012  0.02447  61  GLN A CB  
981  C  CG  . GLN A 69  ? 0.18658 0.17706 0.13961 0.01824  0.01119  0.00438  61  GLN A CG  
982  C  CD  . GLN A 69  ? 0.17481 0.16187 0.14924 0.00726  0.01963  -0.00300 61  GLN A CD  
983  O  OE1 . GLN A 69  ? 0.21164 0.13924 0.13379 0.00048  0.00850  -0.00706 61  GLN A OE1 
984  N  NE2 . GLN A 69  ? 0.18590 0.20863 0.19335 -0.00459 0.01861  0.02287  61  GLN A NE2 
993  N  N   . SER A 70  ? 0.17765 0.15131 0.13368 -0.00464 0.00980  -0.01088 62  SER A N   
994  C  CA  . SER A 70  ? 0.19096 0.16174 0.14359 -0.00332 0.01163  -0.01475 62  SER A CA  
995  C  C   . SER A 70  ? 0.21575 0.14810 0.13090 -0.00416 0.01635  -0.01219 62  SER A C   
996  O  O   . SER A 70  ? 0.24637 0.17635 0.15886 -0.01090 0.03128  0.00966  62  SER A O   
997  C  CB  . SER A 70  ? 0.20133 0.18095 0.14861 0.00305  0.02073  -0.01418 62  SER A CB  
998  O  OG  . SER A 70  ? 0.21610 0.16197 0.15827 0.01278  0.01254  -0.01998 62  SER A OG  
1004 N  N   . PHE A 71  ? 0.21640 0.14195 0.12084 0.00223  0.01879  -0.01396 63  PHE A N   
1005 C  CA  . PHE A 71  ? 0.23329 0.14149 0.12924 0.00873  0.01776  -0.00186 63  PHE A CA  
1006 C  C   . PHE A 71  ? 0.22387 0.14230 0.12866 -0.00324 0.02101  -0.00124 63  PHE A C   
1007 O  O   . PHE A 71  ? 0.28149 0.14819 0.12926 0.01883  0.02380  0.00412  63  PHE A O   
1008 C  CB  . PHE A 71  ? 0.24005 0.16017 0.14037 0.01397  0.00464  0.00023  63  PHE A CB  
1009 C  CG  . PHE A 71  ? 0.26551 0.21966 0.15550 0.03762  0.00324  0.01306  63  PHE A CG  
1010 C  CD1 . PHE A 71  ? 0.31668 0.30523 0.17531 0.06775  -0.01776 0.02001  63  PHE A CD1 
1011 C  CD2 . PHE A 71  ? 0.28040 0.22601 0.20291 0.03525  -0.00033 0.00324  63  PHE A CD2 
1012 C  CE1 . PHE A 71  ? 0.37554 0.33415 0.20906 0.10395  -0.00927 0.02740  63  PHE A CE1 
1013 C  CE2 . PHE A 71  ? 0.31697 0.27046 0.23828 0.07154  -0.00110 0.00509  63  PHE A CE2 
1014 C  CZ  . PHE A 71  ? 0.36299 0.32066 0.22752 0.10334  -0.01298 0.01925  63  PHE A CZ  
1024 N  N   . LEU A 72  ? 0.22824 0.12798 0.13109 0.00617  0.03260  -0.00646 64  LEU A N   
1025 C  CA  . LEU A 72  ? 0.23109 0.13479 0.13849 0.00778  0.03060  -0.00589 64  LEU A CA  
1026 C  C   . LEU A 72  ? 0.23080 0.14904 0.15490 -0.01271 0.04485  -0.00268 64  LEU A C   
1027 O  O   . LEU A 72  ? 0.23498 0.15993 0.18531 -0.02034 0.04824  -0.00322 64  LEU A O   
1028 C  CB  . LEU A 72  ? 0.20677 0.12069 0.13791 -0.00373 0.02520  -0.00695 64  LEU A CB  
1029 C  CG  . LEU A 72  ? 0.22161 0.11827 0.14579 0.00390  0.01396  -0.01372 64  LEU A CG  
1030 C  CD1 . LEU A 72  ? 0.21164 0.11407 0.13990 0.00525  0.02351  -0.01252 64  LEU A CD1 
1031 C  CD2 . LEU A 72  ? 0.22885 0.14017 0.15182 0.01126  0.01807  0.00234  64  LEU A CD2 
1043 N  N   . ASP A 73  ? 0.26382 0.15353 0.17414 -0.02284 0.05698  -0.00120 65  ASP A N   
1044 C  CA  . ASP A 73  ? 0.27570 0.17903 0.20752 -0.03189 0.07617  0.00136  65  ASP A CA  
1045 C  C   . ASP A 73  ? 0.25483 0.18382 0.23026 -0.03968 0.06586  -0.01911 65  ASP A C   
1046 O  O   . ASP A 73  ? 0.25256 0.16907 0.20735 -0.03687 0.05700  -0.01315 65  ASP A O   
1047 C  CB  . ASP A 73  ? 0.32419 0.21249 0.22501 -0.04141 0.08396  0.02235  65  ASP A CB  
1048 C  CG  . ASP A 73  ? 0.39437 0.23791 0.22867 -0.02256 0.08351  0.03301  65  ASP A CG  
1049 O  OD1 . ASP A 73  ? 0.36388 0.21452 0.23359 -0.02311 0.07098  0.03155  65  ASP A OD1 
1050 O  OD2 . ASP A 73  ? 0.51300 0.27807 0.24851 0.02477  0.07499  0.03723  65  ASP A OD2 
1055 N  N   . ASP A 74  ? 0.26269 0.23074 0.28007 -0.04561 0.06978  -0.02848 66  ASP A N   
1056 C  CA  . ASP A 74  ? 0.26887 0.26784 0.31667 -0.05489 0.06639  -0.03580 66  ASP A CA  
1057 C  C   . ASP A 74  ? 0.24612 0.23706 0.28051 -0.05694 0.05418  -0.03217 66  ASP A C   
1058 O  O   . ASP A 74  ? 0.26580 0.24198 0.27455 -0.07091 0.04020  -0.02335 66  ASP A O   
1059 C  CB  . ASP A 74  ? 0.27742 0.34277 0.39225 -0.06973 0.06474  -0.03423 66  ASP A CB  
1060 C  CG  . ASP A 74  ? 0.30001 0.42264 0.47143 -0.04268 0.06050  -0.02931 66  ASP A CG  
1061 O  OD1 . ASP A 74  ? 0.31885 0.43693 0.50427 -0.02084 0.05718  -0.01900 66  ASP A OD1 
1062 O  OD2 . ASP A 74  ? 0.29025 0.47287 0.49976 -0.01672 0.07167  -0.03619 66  ASP A OD2 
1067 N  N   . ASP A 75  ? 0.27003 0.22489 0.25997 -0.04853 0.06868  -0.01590 67  ASP A N   
1068 C  CA  . ASP A 75  ? 0.30769 0.20394 0.25942 -0.07512 0.07610  0.01464  67  ASP A CA  
1069 C  C   . ASP A 75  ? 0.29613 0.17546 0.22803 -0.05961 0.06884  -0.00577 67  ASP A C   
1070 O  O   . ASP A 75  ? 0.32144 0.16962 0.23463 -0.07947 0.07311  -0.02710 67  ASP A O   
1071 C  CB  . ASP A 75  ? 0.38939 0.24479 0.29604 -0.09044 0.08899  0.05958  67  ASP A CB  
1072 C  CG  . ASP A 75  ? 0.41058 0.33460 0.34385 -0.08410 0.09191  0.07850  67  ASP A CG  
1073 O  OD1 . ASP A 75  ? 0.35104 0.34601 0.37542 -0.09494 0.08524  0.06584  67  ASP A OD1 
1074 O  OD2 . ASP A 75  ? 0.56563 0.40471 0.35700 -0.07214 0.11810  0.10156  67  ASP A OD2 
1079 N  N   . GLN A 76  ? 0.27841 0.15753 0.20619 -0.04947 0.06481  0.00358  68  GLN A N   
1080 C  CA  . GLN A 76  ? 0.26056 0.13635 0.19108 -0.01812 0.05203  0.00673  68  GLN A CA  
1081 C  C   . GLN A 76  ? 0.24432 0.13916 0.18506 -0.04223 0.04411  -0.00252 68  GLN A C   
1082 O  O   . GLN A 76  ? 0.23847 0.14343 0.17551 -0.03458 0.04232  -0.01228 68  GLN A O   
1083 C  CB  . GLN A 76  ? 0.25240 0.12900 0.18268 -0.00885 0.04921  0.01201  68  GLN A CB  
1084 C  CG  . GLN A 76  ? 0.27563 0.14833 0.19499 0.00779  0.02855  0.01914  68  GLN A CG  
1085 C  CD  . GLN A 76  ? 0.27418 0.16194 0.19145 0.01225  0.01326  0.01608  68  GLN A CD  
1086 O  OE1 . GLN A 76  ? 0.30469 0.15680 0.17069 0.01496  0.01732  0.01359  68  GLN A OE1 
1087 N  NE2 . GLN A 76  ? 0.28813 0.19659 0.23111 0.01978  0.00365  0.00084  68  GLN A NE2 
1096 N  N   . ILE A 77  ? 0.24783 0.14789 0.19026 -0.03296 0.04460  -0.00549 69  ILE A N   
1097 C  CA  . ILE A 77  ? 0.25192 0.16146 0.20882 -0.03325 0.03220  -0.01625 69  ILE A CA  
1098 C  C   . ILE A 77  ? 0.26516 0.16897 0.21847 -0.04394 0.02641  -0.01147 69  ILE A C   
1099 O  O   . ILE A 77  ? 0.27008 0.16668 0.21027 -0.04385 0.02631  -0.01749 69  ILE A O   
1100 C  CB  . ILE A 77  ? 0.26228 0.18639 0.23408 -0.01297 0.01033  -0.02135 69  ILE A CB  
1101 C  CG1 . ILE A 77  ? 0.26426 0.17999 0.22519 -0.02338 0.02082  -0.01619 69  ILE A CG1 
1102 C  CG2 . ILE A 77  ? 0.29695 0.21103 0.25613 -0.01024 -0.00978 -0.03585 69  ILE A CG2 
1103 C  CD1 . ILE A 77  ? 0.26302 0.19166 0.21614 -0.00727 0.02929  -0.01502 69  ILE A CD1 
1115 N  N   . ASP A 78  ? 0.27733 0.18141 0.23950 -0.07153 0.03119  -0.02757 70  ASP A N   
1116 C  CA  . ASP A 78  ? 0.28118 0.20724 0.26427 -0.07768 0.02759  -0.02982 70  ASP A CA  
1117 C  C   . ASP A 78  ? 0.26760 0.17945 0.24469 -0.06088 0.01359  -0.03506 70  ASP A C   
1118 O  O   . ASP A 78  ? 0.29007 0.21341 0.24900 -0.05431 0.00540  -0.05588 70  ASP A O   
1119 C  CB  . ASP A 78  ? 0.29022 0.28501 0.33734 -0.09629 0.03390  -0.03085 70  ASP A CB  
1120 C  CG  . ASP A 78  ? 0.34020 0.43152 0.42649 -0.07399 0.03303  -0.01249 70  ASP A CG  
1121 O  OD1 . ASP A 78  ? 0.33470 0.47116 0.45899 -0.02747 -0.00334 -0.00303 70  ASP A OD1 
1122 O  OD2 . ASP A 78  ? 0.36915 0.51898 0.46713 -0.13041 0.05204  -0.01320 70  ASP A OD2 
1127 N  N   . GLU A 79  ? 0.27654 0.15529 0.22209 -0.06150 0.02050  -0.00630 71  GLU A N   
1128 C  CA  A GLU A 79  ? 0.28458 0.14010 0.22001 -0.04645 0.01359  0.01198  71  GLU A CA  
1129 C  CA  B GLU A 79  ? 0.29210 0.17605 0.22940 -0.04323 0.01064  0.00878  71  GLU A CA  
1130 C  C   . GLU A 79  ? 0.26897 0.15303 0.21173 -0.01994 0.01699  -0.00544 71  GLU A C   
1131 O  O   . GLU A 79  ? 0.29336 0.17394 0.26165 0.00158  0.03393  0.01542  71  GLU A O   
1132 C  CB  A GLU A 79  ? 0.27972 0.15916 0.23885 -0.03079 0.00943  0.02868  71  GLU A CB  
1133 C  CB  B GLU A 79  ? 0.32742 0.23689 0.26139 -0.01236 0.00046  0.02576  71  GLU A CB  
1134 C  CG  A GLU A 79  ? 0.26191 0.18151 0.26242 -0.03160 0.01399  0.04720  71  GLU A CG  
1135 C  CG  B GLU A 79  ? 0.28992 0.25154 0.28409 0.01927  0.01025  0.04481  71  GLU A CG  
1136 C  CD  A GLU A 79  ? 0.27654 0.21873 0.28677 -0.03507 0.01013  0.06836  71  GLU A CD  
1137 C  CD  B GLU A 79  ? 0.31037 0.25426 0.29773 0.04117  0.00922  0.07204  71  GLU A CD  
1138 O  OE1 A GLU A 79  ? 0.27006 0.23197 0.28730 -0.04143 -0.02416 0.05389  71  GLU A OE1 
1139 O  OE1 B GLU A 79  ? 0.29151 0.26719 0.30080 0.04139  0.00485  0.07634  71  GLU A OE1 
1140 O  OE2 A GLU A 79  ? 0.36776 0.23441 0.30402 -0.03305 0.06497  0.09232  71  GLU A OE2 
1141 O  OE2 B GLU A 79  ? 0.36939 0.27750 0.29869 0.07240  -0.01855 0.08947  71  GLU A OE2 
1154 N  N   . GLY A 80  ? 0.24313 0.13653 0.16851 -0.02764 0.01478  -0.01623 72  GLY A N   
1155 C  CA  . GLY A 80  ? 0.23364 0.13515 0.16527 -0.02408 0.00927  -0.01977 72  GLY A CA  
1156 C  C   . GLY A 80  ? 0.19428 0.11413 0.14376 -0.00089 0.01524  -0.00652 72  GLY A C   
1157 O  O   . GLY A 80  ? 0.18544 0.13867 0.13847 0.00057  0.01710  -0.01169 72  GLY A O   
1161 N  N   . TRP A 81  ? 0.20102 0.10342 0.13735 -0.00076 0.02705  -0.00252 73  TRP A N   
1162 C  CA  . TRP A 81  ? 0.18152 0.10426 0.13292 0.00979  0.01399  -0.00041 73  TRP A CA  
1163 C  C   . TRP A 81  ? 0.15565 0.10196 0.12654 0.00189  0.01414  -0.00773 73  TRP A C   
1164 O  O   . TRP A 81  ? 0.16574 0.11077 0.14610 -0.00133 0.01167  -0.00714 73  TRP A O   
1165 C  CB  . TRP A 81  ? 0.19874 0.11278 0.13458 0.00869  0.00780  -0.00195 73  TRP A CB  
1166 C  CG  . TRP A 81  ? 0.19757 0.12070 0.14762 0.01770  0.01510  0.01395  73  TRP A CG  
1167 C  CD1 . TRP A 81  ? 0.22024 0.13162 0.19513 0.01089  0.02362  0.02661  73  TRP A CD1 
1168 C  CD2 . TRP A 81  ? 0.20897 0.12486 0.16241 0.00621  0.02034  0.01542  73  TRP A CD2 
1169 N  NE1 . TRP A 81  ? 0.23096 0.13705 0.21439 0.01070  0.00783  0.04624  73  TRP A NE1 
1170 C  CE2 . TRP A 81  ? 0.21436 0.14589 0.20160 0.02231  -0.00477 0.02860  73  TRP A CE2 
1171 C  CE3 . TRP A 81  ? 0.20216 0.14835 0.16595 0.02231  0.00194  -0.00253 73  TRP A CE3 
1172 C  CZ2 . TRP A 81  ? 0.22472 0.16435 0.22611 0.01065  -0.00774 0.02965  73  TRP A CZ2 
1173 C  CZ3 . TRP A 81  ? 0.20096 0.16751 0.19544 0.01005  0.00542  0.00347  73  TRP A CZ3 
1174 C  CH2 . TRP A 81  ? 0.19888 0.18491 0.20869 0.01723  -0.00687 0.00805  73  TRP A CH2 
1185 N  N   . VAL A 82  ? 0.14737 0.10573 0.13032 0.00836  0.00331  -0.00740 74  VAL A N   
1186 C  CA  A VAL A 82  ? 0.15522 0.09683 0.12242 0.01019  0.00260  -0.00760 74  VAL A CA  
1187 C  CA  B VAL A 82  ? 0.15842 0.10187 0.12016 0.00304  0.00832  -0.00316 74  VAL A CA  
1188 C  C   . VAL A 82  ? 0.13843 0.10576 0.11456 0.00968  0.00861  -0.00484 74  VAL A C   
1189 O  O   . VAL A 82  ? 0.14777 0.11901 0.16164 0.01492  0.00733  -0.02508 74  VAL A O   
1190 C  CB  A VAL A 82  ? 0.14445 0.10625 0.11601 0.00365  0.01373  -0.01179 74  VAL A CB  
1191 C  CB  B VAL A 82  ? 0.13574 0.11497 0.12455 0.00125  0.00926  -0.00936 74  VAL A CB  
1192 C  CG1 A VAL A 82  ? 0.13639 0.11062 0.11304 -0.00256 0.01903  -0.01026 74  VAL A CG1 
1193 C  CG1 B VAL A 82  ? 0.16778 0.10862 0.13249 -0.00364 0.00923  -0.00902 74  VAL A CG1 
1194 C  CG2 A VAL A 82  ? 0.16542 0.11226 0.11959 0.01363  0.00210  -0.00921 74  VAL A CG2 
1195 C  CG2 B VAL A 82  ? 0.14183 0.11504 0.12457 0.01010  0.01027  -0.01510 74  VAL A CG2 
1214 N  N   . LEU A 83  ? 0.12149 0.10522 0.11609 0.00968  0.00552  -0.00611 75  LEU A N   
1215 C  CA  . LEU A 83  ? 0.13828 0.10302 0.11776 -0.00062 -0.00523 -0.01104 75  LEU A CA  
1216 C  C   . LEU A 83  ? 0.14473 0.10453 0.11417 0.00232  -0.00360 -0.01494 75  LEU A C   
1217 O  O   . LEU A 83  ? 0.13659 0.10468 0.12631 0.00342  -0.00161 -0.00269 75  LEU A O   
1218 C  CB  . LEU A 83  ? 0.14680 0.10752 0.11610 0.00001  0.00538  -0.01066 75  LEU A CB  
1219 C  CG  . LEU A 83  ? 0.17902 0.12009 0.12073 -0.00198 0.01114  -0.01253 75  LEU A CG  
1220 C  CD1 . LEU A 83  ? 0.18522 0.14102 0.12572 -0.00818 0.01223  -0.01554 75  LEU A CD1 
1221 C  CD2 . LEU A 83  ? 0.19945 0.15068 0.12460 0.03462  0.01413  -0.00170 75  LEU A CD2 
1233 N  N   . THR A 84  ? 0.12934 0.11133 0.11807 -0.00230 0.00110  -0.01362 76  THR A N   
1234 C  CA  . THR A 84  ? 0.13288 0.11795 0.11223 -0.00795 -0.00089 -0.01729 76  THR A CA  
1235 C  C   . THR A 84  ? 0.13339 0.11540 0.11404 -0.01591 0.00805  -0.00568 76  THR A C   
1236 O  O   . THR A 84  ? 0.15427 0.11524 0.12822 -0.01208 0.00560  -0.00862 76  THR A O   
1237 C  CB  . THR A 84  ? 0.14756 0.13595 0.12256 -0.00091 0.00297  -0.01975 76  THR A CB  
1238 O  OG1 . THR A 84  ? 0.13992 0.15483 0.13357 -0.01555 0.00198  -0.01920 76  THR A OG1 
1239 C  CG2 . THR A 84  ? 0.16470 0.14956 0.13809 0.00930  0.00083  -0.03009 76  THR A CG2 
1247 N  N   . CYS A 85  ? 0.15020 0.10654 0.11733 -0.00829 0.00761  -0.00869 77  CYS A N   
1248 C  CA  . CYS A 85  ? 0.17667 0.10541 0.12954 -0.00735 0.00488  -0.00674 77  CYS A CA  
1249 C  C   . CYS A 85  ? 0.16994 0.11138 0.12496 -0.00145 -0.00573 -0.01153 77  CYS A C   
1250 O  O   . CYS A 85  ? 0.19993 0.11126 0.17008 0.01288  -0.02022 -0.01186 77  CYS A O   
1251 C  CB  . CYS A 85  ? 0.18546 0.11133 0.12912 -0.00617 0.00470  -0.01356 77  CYS A CB  
1252 S  SG  . CYS A 85  ? 0.14860 0.12915 0.12579 0.00977  0.00466  -0.02605 77  CYS A SG  
1257 N  N   . ALA A 86  ? 0.15822 0.11410 0.11903 0.00482  0.00431  -0.01340 78  ALA A N   
1258 C  CA  . ALA A 86  ? 0.15108 0.14156 0.12735 0.01938  -0.00014 -0.01394 78  ALA A CA  
1259 C  C   . ALA A 86  ? 0.14367 0.15370 0.12950 0.01591  0.00455  -0.02075 78  ALA A C   
1260 O  O   . ALA A 86  ? 0.15033 0.22187 0.16760 0.01110  0.00690  -0.04751 78  ALA A O   
1261 C  CB  . ALA A 86  ? 0.15755 0.16826 0.13437 0.01347  0.00805  -0.01183 78  ALA A CB  
1267 N  N   . ALA A 87  ? 0.14235 0.11972 0.11901 0.00753  0.00591  -0.00549 79  ALA A N   
1268 C  CA  . ALA A 87  ? 0.13450 0.11563 0.12736 0.00153  -0.00233 -0.00501 79  ALA A CA  
1269 C  C   . ALA A 87  ? 0.14259 0.11463 0.12233 0.00407  -0.00265 -0.01331 79  ALA A C   
1270 O  O   . ALA A 87  ? 0.15399 0.13146 0.12940 -0.00180 0.00366  0.00033  79  ALA A O   
1271 C  CB  . ALA A 87  ? 0.14973 0.11660 0.13179 0.00696  -0.00413 -0.01344 79  ALA A CB  
1277 N  N   . TYR A 88  ? 0.15142 0.12524 0.11773 0.01008  -0.00086 -0.00677 80  TYR A N   
1278 C  CA  . TYR A 88  ? 0.16298 0.12970 0.11574 0.00794  -0.00410 -0.00379 80  TYR A CA  
1279 C  C   . TYR A 88  ? 0.14729 0.14413 0.11823 0.00703  -0.00241 -0.00065 80  TYR A C   
1280 O  O   . TYR A 88  ? 0.16762 0.14672 0.12504 -0.01047 0.00444  -0.00829 80  TYR A O   
1281 C  CB  . TYR A 88  ? 0.17317 0.14318 0.13077 0.01655  -0.00288 0.00330  80  TYR A CB  
1282 C  CG  . TYR A 88  ? 0.17223 0.14808 0.13821 0.02919  -0.00802 0.00240  80  TYR A CG  
1283 C  CD1 . TYR A 88  ? 0.19041 0.15366 0.14404 0.02702  0.00373  0.00373  80  TYR A CD1 
1284 C  CD2 . TYR A 88  ? 0.18786 0.18400 0.15476 0.02789  0.01455  -0.00651 80  TYR A CD2 
1285 C  CE1 . TYR A 88  ? 0.24345 0.14638 0.15913 0.03600  -0.01061 -0.00104 80  TYR A CE1 
1286 C  CE2 . TYR A 88  ? 0.21227 0.18743 0.16788 0.05162  0.03076  -0.01006 80  TYR A CE2 
1287 C  CZ  . TYR A 88  ? 0.23519 0.16699 0.16668 0.05424  0.00879  -0.00507 80  TYR A CZ  
1288 O  OH  . TYR A 88  ? 0.27173 0.16965 0.19305 0.05737  0.00915  -0.02735 80  TYR A OH  
1298 N  N   . PRO A 89  ? 0.16722 0.13594 0.12130 -0.00193 -0.00486 -0.00147 81  PRO A N   
1299 C  CA  . PRO A 89  ? 0.16602 0.14065 0.12045 0.01348  -0.00542 -0.01064 81  PRO A CA  
1300 C  C   . PRO A 89  ? 0.17547 0.14215 0.12335 0.02427  -0.00797 -0.01355 81  PRO A C   
1301 O  O   . PRO A 89  ? 0.18163 0.14916 0.14249 0.02540  -0.01221 0.00187  81  PRO A O   
1302 C  CB  . PRO A 89  ? 0.18235 0.16146 0.12948 0.00460  0.00774  -0.01210 81  PRO A CB  
1303 C  CG  . PRO A 89  ? 0.19834 0.16593 0.13175 -0.00620 0.00404  -0.00156 81  PRO A CG  
1304 C  CD  . PRO A 89  ? 0.17733 0.14925 0.12756 -0.00475 0.00014  -0.00645 81  PRO A CD  
1312 N  N   . VAL A 90  ? 0.16530 0.14534 0.13561 0.01719  -0.01841 -0.01214 82  VAL A N   
1313 C  CA  . VAL A 90  ? 0.16429 0.16616 0.14903 0.02034  -0.02375 -0.01684 82  VAL A CA  
1314 C  C   . VAL A 90  ? 0.16590 0.16231 0.13706 0.01936  -0.02083 -0.00885 82  VAL A C   
1315 O  O   . VAL A 90  ? 0.16814 0.20633 0.14879 0.02392  -0.02483 -0.01359 82  VAL A O   
1316 C  CB  . VAL A 90  ? 0.15021 0.20124 0.16595 0.01559  -0.00907 -0.01426 82  VAL A CB  
1317 C  CG1 . VAL A 90  ? 0.17416 0.21854 0.18120 0.01695  0.00877  -0.02589 82  VAL A CG1 
1318 C  CG2 . VAL A 90  ? 0.15773 0.22014 0.18361 0.03238  -0.00464 -0.00954 82  VAL A CG2 
1328 N  N   . SER A 91  ? 0.16495 0.15388 0.12498 0.01954  -0.02648 -0.01360 83  SER A N   
1329 C  CA  . SER A 91  ? 0.16944 0.13970 0.12835 0.01121  -0.02295 -0.00396 83  SER A CA  
1330 C  C   . SER A 91  ? 0.16609 0.13151 0.12579 0.00698  -0.01128 0.00355  83  SER A C   
1331 O  O   . SER A 91  ? 0.16952 0.13729 0.12362 0.00854  -0.01729 -0.00981 83  SER A O   
1332 C  CB  . SER A 91  ? 0.18443 0.14988 0.13212 0.00711  -0.02026 -0.00763 83  SER A CB  
1333 O  OG  . SER A 91  ? 0.18563 0.14519 0.14461 0.00077  -0.01573 0.00109  83  SER A OG  
1339 N  N   . ASP A 92  ? 0.17029 0.14005 0.12641 0.00590  -0.01870 -0.00245 84  ASP A N   
1340 C  CA  . ASP A 92  ? 0.16915 0.13969 0.12691 -0.00048 -0.01057 -0.00709 84  ASP A CA  
1341 C  C   . ASP A 92  ? 0.14966 0.12674 0.12662 -0.00901 -0.01777 -0.00902 84  ASP A C   
1342 O  O   . ASP A 92  ? 0.16618 0.13671 0.13343 -0.01043 -0.02201 -0.00099 84  ASP A O   
1343 C  CB  . ASP A 92  ? 0.17660 0.15390 0.13083 0.00228  -0.01196 -0.01906 84  ASP A CB  
1344 C  CG  . ASP A 92  ? 0.20713 0.16339 0.12504 0.00345  -0.01364 -0.01371 84  ASP A CG  
1345 O  OD1 . ASP A 92  ? 0.21476 0.16436 0.12247 0.01474  -0.01058 -0.00791 84  ASP A OD1 
1346 O  OD2 . ASP A 92  ? 0.28100 0.19681 0.13165 0.02475  -0.00471 -0.01497 84  ASP A OD2 
1351 N  N   . VAL A 93  ? 0.16191 0.12125 0.12427 -0.00366 0.00010  -0.00297 85  VAL A N   
1352 C  CA  . VAL A 93  ? 0.15328 0.11838 0.12332 -0.00772 -0.01508 -0.00480 85  VAL A CA  
1353 C  C   . VAL A 93  ? 0.15387 0.11235 0.12226 -0.00817 -0.00663 -0.01105 85  VAL A C   
1354 O  O   . VAL A 93  ? 0.15222 0.13359 0.13819 -0.00649 0.00156  -0.00103 85  VAL A O   
1355 C  CB  . VAL A 93  ? 0.13889 0.12851 0.12642 0.00027  -0.01053 -0.00765 85  VAL A CB  
1356 C  CG1 . VAL A 93  ? 0.15058 0.13760 0.14015 0.00745  -0.01372 -0.00825 85  VAL A CG1 
1357 C  CG2 . VAL A 93  ? 0.15938 0.13977 0.14418 -0.01258 0.00256  -0.02504 85  VAL A CG2 
1367 N  N   . THR A 94  ? 0.13991 0.11527 0.12811 -0.00532 -0.01074 -0.01212 86  THR A N   
1368 C  CA  . THR A 94  ? 0.14478 0.11814 0.12929 -0.00339 -0.00090 -0.01943 86  THR A CA  
1369 C  C   . THR A 94  ? 0.13259 0.10732 0.13168 -0.00013 -0.00632 -0.02223 86  THR A C   
1370 O  O   . THR A 94  ? 0.13964 0.11661 0.12750 -0.01205 -0.00689 -0.01288 86  THR A O   
1371 C  CB  . THR A 94  ? 0.17239 0.13205 0.12968 0.00511  -0.00207 -0.02902 86  THR A CB  
1372 O  OG1 . THR A 94  ? 0.20456 0.15729 0.13347 0.00050  -0.00080 -0.03179 86  THR A OG1 
1373 C  CG2 . THR A 94  ? 0.16428 0.14361 0.15325 0.01718  0.00524  -0.02475 86  THR A CG2 
1381 N  N   . ILE A 95  ? 0.12930 0.11680 0.11985 -0.00679 0.00202  -0.02152 87  ILE A N   
1382 C  CA  . ILE A 95  ? 0.13036 0.12617 0.12222 -0.00075 0.00710  -0.02271 87  ILE A CA  
1383 C  C   . ILE A 95  ? 0.12238 0.12879 0.12353 -0.00096 0.00929  -0.03125 87  ILE A C   
1384 O  O   . ILE A 95  ? 0.12557 0.14169 0.13783 0.00724  0.00296  -0.02270 87  ILE A O   
1385 C  CB  . ILE A 95  ? 0.12994 0.12553 0.13430 -0.00179 0.00676  -0.03580 87  ILE A CB  
1386 C  CG1 . ILE A 95  ? 0.14135 0.13001 0.15320 0.00335  0.00093  -0.03189 87  ILE A CG1 
1387 C  CG2 . ILE A 95  ? 0.15942 0.14019 0.14024 0.01733  -0.00300 -0.04671 87  ILE A CG2 
1388 C  CD1 . ILE A 95  ? 0.14165 0.14028 0.16515 0.01334  -0.00305 -0.03038 87  ILE A CD1 
1400 N  N   . GLU A 96  ? 0.13254 0.12567 0.12307 0.00366  -0.00027 -0.02822 88  GLU A N   
1401 C  CA  . GLU A 96  ? 0.13018 0.14824 0.13577 0.02184  -0.00411 -0.03208 88  GLU A CA  
1402 C  C   . GLU A 96  ? 0.13770 0.16077 0.13117 0.02198  -0.00504 -0.03171 88  GLU A C   
1403 O  O   . GLU A 96  ? 0.14311 0.19719 0.13308 0.00672  0.00381  -0.04556 88  GLU A O   
1404 C  CB  . GLU A 96  ? 0.15685 0.16436 0.18824 0.03257  -0.00565 -0.03413 88  GLU A CB  
1405 C  CG  . GLU A 96  ? 0.21994 0.18284 0.26224 0.02081  0.01802  -0.04070 88  GLU A CG  
1406 C  CD  . GLU A 96  ? 0.29340 0.21473 0.34153 0.02439  0.02229  -0.04290 88  GLU A CD  
1407 O  OE1 . GLU A 96  ? 0.33160 0.23625 0.36950 0.02415  0.01639  -0.02727 88  GLU A OE1 
1408 O  OE2 . GLU A 96  ? 0.30134 0.21830 0.38571 0.04237  0.01531  -0.06511 88  GLU A OE2 
1415 N  N   . THR A 97  ? 0.13755 0.15917 0.13141 0.01315  -0.00334 -0.03746 89  THR A N   
1416 C  CA  . THR A 97  ? 0.13937 0.15639 0.13780 0.00688  -0.00304 -0.04166 89  THR A CA  
1417 C  C   . THR A 97  ? 0.13293 0.16932 0.14934 0.02390  -0.00707 -0.04037 89  THR A C   
1418 O  O   . THR A 97  ? 0.16131 0.17844 0.14484 0.03359  -0.01035 -0.04233 89  THR A O   
1419 C  CB  . THR A 97  ? 0.16151 0.16213 0.14265 0.00790  0.00042  -0.05394 89  THR A CB  
1420 O  OG1 . THR A 97  ? 0.17030 0.18115 0.15543 -0.00019 0.01465  -0.05795 89  THR A OG1 
1421 C  CG2 . THR A 97  ? 0.18598 0.16163 0.14758 0.00276  -0.01314 -0.03194 89  THR A CG2 
1429 N  N   . HIS A 98  ? 0.14826 0.18133 0.14221 0.01839  -0.01595 -0.05519 90  HIS A N   
1430 C  CA  . HIS A 98  ? 0.13547 0.19445 0.15028 0.02504  -0.01437 -0.06026 90  HIS A CA  
1431 C  C   . HIS A 98  ? 0.17211 0.18911 0.14676 0.03622  -0.01879 -0.03872 90  HIS A C   
1432 O  O   . HIS A 98  ? 0.17037 0.22049 0.17969 0.05822  -0.02412 -0.02759 90  HIS A O   
1433 C  CB  . HIS A 98  ? 0.16430 0.19796 0.17387 0.03394  -0.01521 -0.04436 90  HIS A CB  
1434 C  CG  . HIS A 98  ? 0.14030 0.21020 0.18029 0.03206  -0.00915 -0.06214 90  HIS A CG  
1435 N  ND1 . HIS A 98  ? 0.16023 0.20094 0.19645 0.00560  0.01415  -0.06089 90  HIS A ND1 
1436 C  CD2 . HIS A 98  ? 0.15375 0.22387 0.21182 0.01897  -0.01510 -0.05767 90  HIS A CD2 
1437 C  CE1 . HIS A 98  ? 0.15539 0.20493 0.21367 0.01249  0.03283  -0.04960 90  HIS A CE1 
1438 N  NE2 . HIS A 98  ? 0.15376 0.21484 0.22854 0.00346  0.00922  -0.05793 90  HIS A NE2 
1446 N  N   . LYS A 99  ? 0.15563 0.20067 0.14844 0.04603  -0.01688 -0.03920 91  LYS A N   
1447 C  CA  . LYS A 99  ? 0.18301 0.20025 0.15915 0.04888  -0.00571 -0.01409 91  LYS A CA  
1448 C  C   . LYS A 99  ? 0.17483 0.21725 0.15635 0.04295  -0.00031 -0.00915 91  LYS A C   
1449 O  O   . LYS A 99  ? 0.20623 0.24573 0.18050 0.04629  -0.00842 0.01491  91  LYS A O   
1450 C  CB  . LYS A 99  ? 0.20286 0.22205 0.17900 0.03459  -0.01692 -0.02198 91  LYS A CB  
1451 C  CG  . LYS A 99  ? 0.21495 0.27193 0.20083 0.02681  -0.00839 -0.06128 91  LYS A CG  
1452 C  CD  . LYS A 99  ? 0.27822 0.33415 0.25950 0.04327  -0.00900 -0.08235 91  LYS A CD  
1453 C  CE  . LYS A 99  ? 0.43025 0.36338 0.32433 0.04692  0.00412  -0.07621 91  LYS A CE  
1454 N  NZ  . LYS A 99  ? 0.48820 0.36876 0.35869 0.05648  0.03490  -0.08255 91  LYS A NZ  
1468 N  N   . GLU A 100 ? 0.20974 0.23012 0.15311 0.06763  -0.00604 -0.01457 92  GLU A N   
1469 C  CA  . GLU A 100 ? 0.23848 0.25256 0.15396 0.09552  -0.00188 -0.00747 92  GLU A CA  
1470 C  C   . GLU A 100 ? 0.28461 0.26643 0.18450 0.10507  -0.02225 0.00250  92  GLU A C   
1471 O  O   . GLU A 100 ? 0.32451 0.26313 0.16675 0.09833  0.01455  0.01895  92  GLU A O   
1472 C  CB  . GLU A 100 ? 0.24387 0.26858 0.14642 0.09523  -0.01481 -0.02447 92  GLU A CB  
1473 C  CG  . GLU A 100 ? 0.25886 0.27757 0.15083 0.10542  -0.01287 -0.02259 92  GLU A CG  
1474 C  CD  . GLU A 100 ? 0.26123 0.29505 0.15981 0.09792  -0.02156 -0.03971 92  GLU A CD  
1475 O  OE1 . GLU A 100 ? 0.26573 0.32297 0.17020 0.07777  -0.01696 -0.04766 92  GLU A OE1 
1476 O  OE2 . GLU A 100 ? 0.26197 0.29533 0.17102 0.08776  -0.02756 -0.05548 92  GLU A OE2 
1483 N  N   . GLU A 101 ? 0.31281 0.32695 0.30389 0.14411  -0.11737 0.00692  93  GLU A N   
1484 C  CA  . GLU A 101 ? 0.51800 0.47276 0.52666 0.09904  -0.15822 -0.03075 93  GLU A CA  
1485 C  C   . GLU A 101 ? 0.50229 0.43095 0.60020 0.05354  -0.07430 -0.12483 93  GLU A C   
1486 O  O   . GLU A 101 ? 0.44112 0.40306 0.65627 0.06182  -0.07529 -0.17874 93  GLU A O   
1487 C  CB  . GLU A 101 ? 0.60930 0.69962 0.72919 0.06157  -0.20099 -0.00784 93  GLU A CB  
1488 C  CG  . GLU A 101 ? 0.70252 0.84669 0.93648 -0.02607 -0.15830 -0.03448 93  GLU A CG  
1489 C  CD  . GLU A 101 ? 0.66848 0.93613 1.09518 -0.10109 -0.11886 -0.09214 93  GLU A CD  
1490 O  OE1 . GLU A 101 ? 0.50693 0.96856 1.14293 -0.12825 -0.03843 -0.07806 93  GLU A OE1 
1491 O  OE2 . GLU A 101 ? 0.84082 0.96395 1.15320 -0.11731 -0.16355 -0.15624 93  GLU A OE2 
1498 N  N   . GLU A 102 ? 0.44057 0.46736 0.63664 -0.07397 -0.02163 -0.14138 94  GLU A N   
1499 C  CA  . GLU A 102 ? 0.49676 0.48957 0.73978 -0.14668 0.02000  -0.13181 94  GLU A CA  
1500 C  C   . GLU A 102 ? 0.60134 0.44657 0.79949 -0.09172 0.00943  -0.04990 94  GLU A C   
1501 O  O   . GLU A 102 ? 0.71838 0.41277 0.94924 -0.02491 0.05538  0.00317  94  GLU A O   
1502 C  CB  . GLU A 102 ? 0.50876 0.52140 0.77364 -0.16062 0.08058  -0.15938 94  GLU A CB  
1503 C  CG  . GLU A 102 ? 0.49488 0.50239 0.67455 -0.08562 -0.00719 -0.15001 94  GLU A CG  
1504 C  CD  . GLU A 102 ? 0.46575 0.39751 0.56671 -0.01930 -0.05168 -0.10905 94  GLU A CD  
1505 O  OE1 . GLU A 102 ? 0.59175 0.34257 0.50345 -0.02957 -0.03006 -0.08410 94  GLU A OE1 
1506 O  OE2 . GLU A 102 ? 0.42397 0.35025 0.56102 0.02147  -0.07614 -0.08664 94  GLU A OE2 
1513 N  N   . LEU A 103 ? 0.55655 0.44123 0.66514 -0.06274 -0.02394 -0.02361 95  LEU A N   
1514 C  CA  . LEU A 103 ? 0.59178 0.41707 0.51149 -0.00700 0.04157  0.00834  95  LEU A CA  
1515 C  C   . LEU A 103 ? 0.60426 0.39588 0.48515 0.04881  0.12105  0.00802  95  LEU A C   
1516 O  O   . LEU A 103 ? 0.67200 0.39333 0.46498 0.07494  0.09610  -0.01557 95  LEU A O   
1517 C  CB  . LEU A 103 ? 0.52296 0.38876 0.38958 -0.06484 0.03322  0.01244  95  LEU A CB  
1518 C  CG  . LEU A 103 ? 0.45064 0.31771 0.28663 -0.08104 0.03263  -0.02794 95  LEU A CG  
1519 C  CD1 . LEU A 103 ? 0.39800 0.27986 0.26613 -0.09745 0.07324  -0.04970 95  LEU A CD1 
1520 C  CD2 . LEU A 103 ? 0.44861 0.31065 0.26499 -0.05571 0.01964  -0.04749 95  LEU A CD2 
1532 FE FE1 . FES B .   ? 0.16979 0.13806 0.12785 0.00801  -0.00089 -0.03267 101 FES A FE1 
1533 FE FE2 . FES B .   ? 0.14858 0.12175 0.12131 0.00079  0.00209  -0.02799 101 FES A FE2 
1534 S  S1  . FES B .   ? 0.15833 0.14314 0.13760 -0.00208 0.00240  -0.04300 101 FES A S1  
1535 S  S2  . FES B .   ? 0.16086 0.13942 0.12052 0.00194  0.00283  -0.02120 101 FES A S2  
1536 O  O   . HOH C .   ? 0.27185 0.48609 0.19130 -0.05861 0.00985  -0.03154 201 HOH A O   
1537 O  O   . HOH C .   ? 0.72103 0.36315 0.44986 0.15061  0.08061  0.08926  202 HOH A O   
1538 O  O   . HOH C .   ? 0.53714 0.53838 0.62878 0.10919  -0.26433 0.00744  203 HOH A O   
1539 O  O   . HOH C .   ? 0.42883 0.43542 0.41219 -0.17094 -0.00456 0.09334  204 HOH A O   
1540 O  O   . HOH C .   ? 0.38600 0.60475 0.42917 -0.01382 -0.01049 0.18176  205 HOH A O   
1541 O  O   . HOH C .   ? 0.21828 0.17925 0.25379 -0.00774 0.00365  -0.01733 206 HOH A O   
1542 O  O   . HOH C .   ? 0.53113 0.63548 0.46456 0.09183  -0.08019 -0.04433 207 HOH A O   
1543 O  O   . HOH C .   ? 0.45091 0.35875 0.45607 0.04555  0.11648  -0.07889 208 HOH A O   
1544 O  O   . HOH C .   ? 0.27838 0.46150 0.54329 0.05643  0.11242  0.01559  209 HOH A O   
1545 O  O   . HOH C .   ? 0.35490 0.14053 0.21253 0.00951  0.00702  -0.00590 210 HOH A O   
1546 O  O   . HOH C .   ? 0.49964 0.30331 0.25771 -0.02129 -0.08773 0.09230  211 HOH A O   
1547 O  O   . HOH C .   ? 0.54000 0.27998 0.44736 0.05517  0.01260  0.09354  212 HOH A O   
1548 O  O   . HOH C .   ? 0.35453 0.25480 0.28418 0.09479  0.05517  -0.00410 213 HOH A O   
1549 O  O   . HOH C .   ? 0.51346 0.30429 0.20201 0.12671  -0.04053 -0.01312 214 HOH A O   
1550 O  O   . HOH C .   ? 0.43078 0.51003 0.27425 0.06438  -0.01214 0.08194  215 HOH A O   
1551 O  O   . HOH C .   ? 0.32148 0.35638 0.33191 0.03458  -0.06864 -0.10075 216 HOH A O   
1552 O  O   . HOH C .   ? 0.51614 0.25789 0.25379 0.09022  0.00810  -0.03462 217 HOH A O   
1553 O  O   . HOH C .   ? 0.23865 0.20940 0.25218 0.01816  0.03635  0.01713  218 HOH A O   
1554 O  O   . HOH C .   ? 0.28192 0.21830 0.22913 -0.04349 0.04272  -0.06281 219 HOH A O   
1555 O  O   . HOH C .   ? 0.20252 0.30624 0.20898 0.04463  -0.03835 -0.06096 220 HOH A O   
1556 O  O   . HOH C .   ? 0.31026 0.36322 0.40113 0.04527  -0.04067 0.04625  221 HOH A O   
1557 O  O   . HOH C .   ? 0.29888 0.19723 0.26642 -0.03854 -0.01763 0.02007  222 HOH A O   
1558 O  O   . HOH C .   ? 0.27416 0.26370 0.20006 0.11039  0.02538  -0.02969 223 HOH A O   
1559 O  O   . HOH C .   ? 0.22034 0.21583 0.19513 0.06562  -0.01838 -0.01725 224 HOH A O   
1560 O  O   . HOH C .   ? 0.26981 0.33614 0.39918 0.02794  -0.03401 -0.04724 225 HOH A O   
1561 O  O   . HOH C .   ? 0.25157 0.34770 0.22489 0.08949  -0.02132 -0.00463 226 HOH A O   
1562 O  O   . HOH C .   ? 0.18652 0.15162 0.15659 0.00583  0.00832  -0.01706 227 HOH A O   
1563 O  O   . HOH C .   ? 0.31770 0.33255 0.48567 -0.01521 0.02885  0.07048  228 HOH A O   
1564 O  O   . HOH C .   ? 0.42350 0.31289 0.42474 -0.03862 0.04968  0.11375  229 HOH A O   
1565 O  O   . HOH C .   ? 0.38167 0.66783 0.57482 -0.12964 -0.21946 -0.10038 230 HOH A O   
1566 O  O   . HOH C .   ? 0.50759 0.46370 0.40004 0.00138  0.18026  0.12210  231 HOH A O   
1567 O  O   . HOH C .   ? 0.55515 0.36818 0.38266 0.01188  0.07278  -0.19694 232 HOH A O   
1568 O  O   . HOH C .   ? 0.49288 0.34175 0.32870 0.13628  0.03654  -0.05787 233 HOH A O   
1569 O  O   . HOH C .   ? 0.46951 0.20191 0.19798 0.02022  0.08579  -0.00412 234 HOH A O   
1570 O  O   . HOH C .   ? 0.23399 0.16401 0.21430 -0.02201 -0.03504 0.01200  235 HOH A O   
1571 O  O   . HOH C .   ? 0.32362 0.48728 0.46844 0.17039  -0.03678 -0.05327 236 HOH A O   
1572 O  O   . HOH C .   ? 0.35075 0.41330 0.26351 0.10005  0.09178  0.01956  237 HOH A O   
1573 O  O   . HOH C .   ? 0.30566 0.45036 0.35498 -0.04403 -0.02793 0.06040  238 HOH A O   
1574 O  O   . HOH C .   ? 0.56500 0.33430 0.40192 -0.09313 0.09294  -0.05244 239 HOH A O   
1575 O  O   . HOH C .   ? 0.74891 0.67523 0.43251 -0.21214 0.17766  -0.18858 240 HOH A O   
1576 O  O   . HOH C .   ? 0.62056 0.53378 0.25820 0.00021  0.00779  -0.05659 241 HOH A O   
1577 O  O   . HOH C .   ? 0.26019 0.20680 0.17677 0.00449  -0.05134 -0.00987 242 HOH A O   
1578 O  O   . HOH C .   ? 0.41184 0.21059 0.21239 0.04713  -0.02970 0.00718  243 HOH A O   
1579 O  O   . HOH C .   ? 0.35135 0.24549 0.25465 -0.09455 0.05442  -0.06381 244 HOH A O   
1580 O  O   . HOH C .   ? 0.53114 0.24060 0.46362 0.01394  0.03783  -0.07905 245 HOH A O   
1581 O  O   . HOH C .   ? 0.17021 0.22912 0.16362 0.05768  -0.03384 -0.06832 246 HOH A O   
1582 O  O   . HOH C .   ? 0.24653 0.22052 0.13589 0.00631  0.00148  -0.02330 247 HOH A O   
1583 O  O   . HOH C .   ? 0.14852 0.16545 0.16962 -0.01204 0.01657  -0.05929 248 HOH A O   
1584 O  O   . HOH C .   ? 0.44065 0.26140 0.24304 0.02387  0.04157  -0.10910 249 HOH A O   
1585 O  O   . HOH C .   ? 0.35850 0.20089 0.35446 0.02463  0.05762  -0.00064 250 HOH A O   
1586 O  O   . HOH C .   ? 0.53329 0.30709 0.40109 -0.08402 -0.04704 -0.03202 251 HOH A O   
1587 O  O   . HOH C .   ? 0.23838 0.20670 0.23556 -0.01513 0.04606  -0.02071 252 HOH A O   
1588 O  O   . HOH C .   ? 0.36369 0.46628 0.45391 0.13769  0.08172  0.10930  253 HOH A O   
1589 O  O   . HOH C .   ? 0.23298 0.17207 0.15334 0.00164  0.00988  -0.01563 254 HOH A O   
1590 O  O   . HOH C .   ? 0.62700 0.64309 0.36099 0.10329  -0.05686 0.09034  255 HOH A O   
1591 O  O   . HOH C .   ? 0.25151 0.24742 0.17954 -0.08169 -0.04248 0.02599  256 HOH A O   
1592 O  O   . HOH C .   ? 0.18919 0.27488 0.35321 -0.00522 -0.03103 -0.03878 257 HOH A O   
1593 O  O   . HOH C .   ? 0.28980 0.48010 0.32275 0.07539  0.00025  0.00390  258 HOH A O   
1594 O  O   . HOH C .   ? 0.42594 0.74762 0.40116 0.27597  -0.00218 0.10942  259 HOH A O   
1595 O  O   . HOH C .   ? 0.45942 0.24170 0.41967 -0.05884 -0.06846 0.12280  260 HOH A O   
1596 O  O   . HOH C .   ? 0.50387 0.29044 0.24144 -0.06445 -0.00125 0.00786  261 HOH A O   
1597 O  O   . HOH C .   ? 0.19851 0.28762 0.23076 0.00918  0.01305  -0.08084 262 HOH A O   
1598 O  O   . HOH C .   ? 0.36453 0.48937 0.26878 0.01441  0.01229  -0.08395 263 HOH A O   
1599 O  O   . HOH C .   ? 0.29583 0.28309 0.24016 0.03587  -0.01781 -0.09692 264 HOH A O   
1600 O  O   . HOH C .   ? 0.32262 0.33030 0.33690 0.04905  0.01935  -0.01544 265 HOH A O   
1601 O  O   . HOH C .   ? 0.44481 0.51925 0.39903 0.02302  0.14501  0.01133  266 HOH A O   
1602 O  O   . HOH C .   ? 0.25034 0.25498 0.14709 -0.03676 -0.03723 0.01115  267 HOH A O   
1603 O  O   . HOH C .   ? 0.19688 0.25465 0.26467 -0.02570 0.02083  -0.03703 268 HOH A O   
1604 O  O   . HOH C .   ? 0.31062 0.22473 0.30579 -0.05844 0.05603  0.07727  269 HOH A O   
1605 O  O   . HOH C .   ? 0.23104 0.40481 0.35477 0.03754  -0.05775 -0.10473 270 HOH A O   
1606 O  O   . HOH C .   ? 0.42423 0.35589 0.28736 0.14188  0.08873  -0.00572 271 HOH A O   
1607 O  O   . HOH C .   ? 0.42003 0.57453 0.47878 -0.06832 -0.05648 -0.01425 272 HOH A O   
1608 O  O   . HOH C .   ? 0.47003 0.27854 0.27884 -0.00153 -0.05873 0.00981  273 HOH A O   
1609 O  O   . HOH C .   ? 0.14823 0.17210 0.15670 0.01634  0.01289  -0.04207 274 HOH A O   
1610 O  O   . HOH C .   ? 0.34567 0.33692 0.53629 -0.07866 -0.01442 -0.10055 275 HOH A O   
1611 O  O   . HOH C .   ? 0.32490 0.27834 0.37499 0.06832  -0.01817 -0.06310 276 HOH A O   
1612 O  O   . HOH C .   ? 0.34102 0.54416 0.40642 0.07291  0.13883  -0.10838 277 HOH A O   
1613 O  O   . HOH C .   ? 0.25614 0.19649 0.46594 -0.02081 -0.02273 0.03388  278 HOH A O   
1614 O  O   . HOH C .   ? 0.37554 0.29479 0.41863 0.03045  0.07607  -0.01427 279 HOH A O   
1615 O  O   . HOH C .   ? 0.29525 0.42881 0.35329 0.06714  0.13032  0.13092  280 HOH A O   
1616 O  O   . HOH C .   ? 0.44373 0.22564 0.45162 0.03397  0.01140  -0.01388 281 HOH A O   
1617 O  O   . HOH C .   ? 0.53330 0.32500 0.37246 -0.00351 0.11675  0.05800  282 HOH A O   
1618 O  O   . HOH C .   ? 0.33190 0.30221 0.35232 -0.01726 -0.01732 -0.10262 283 HOH A O   
1619 O  O   . HOH C .   ? 0.18790 0.17170 0.18851 -0.01312 0.00562  0.00736  284 HOH A O   
1620 O  O   . HOH C .   ? 0.30200 0.83264 0.45634 0.11297  0.05446  0.05061  285 HOH A O   
1621 O  O   . HOH C .   ? 0.42469 0.32486 0.34157 -0.08728 0.09678  0.02454  286 HOH A O   
1622 O  O   . HOH C .   ? 0.25596 0.18285 0.20129 0.04712  -0.02156 0.02339  287 HOH A O   
1623 O  O   . HOH C .   ? 0.28379 0.36657 0.43694 -0.00008 0.03549  0.04297  288 HOH A O   
1624 O  O   . HOH C .   ? 0.36995 0.46520 0.36950 0.05233  0.09053  0.04079  289 HOH A O   
1625 O  O   . HOH C .   ? 0.22626 0.33891 0.47957 -0.02062 0.05546  -0.13738 290 HOH A O   
1626 O  O   . HOH C .   ? 0.43524 0.39492 0.33534 -0.02975 0.14404  0.03053  291 HOH A O   
1627 O  O   . HOH C .   ? 0.23185 0.52814 0.43397 -0.01324 0.00023  0.15631  292 HOH A O   
1628 O  O   . HOH C .   ? 0.26797 0.19420 0.23434 -0.03985 -0.05002 0.00718  293 HOH A O   
1629 O  O   . HOH C .   ? 0.36255 0.28054 0.34612 -0.03136 -0.03567 -0.07331 294 HOH A O   
1630 O  O   . HOH C .   ? 0.70252 0.41377 0.54017 -0.21288 0.04566  -0.02734 295 HOH A O   
1631 O  O   . HOH C .   ? 0.23960 0.16052 0.14449 0.01249  -0.00740 0.02255  296 HOH A O   
1632 O  O   . HOH C .   ? 0.46698 0.44470 0.31880 0.01633  0.03010  -0.10346 297 HOH A O   
1633 O  O   . HOH C .   ? 0.54548 0.24964 0.24909 0.03716  -0.04679 0.01765  298 HOH A O   
1634 O  O   . HOH C .   ? 0.35066 0.29363 0.28491 -0.04638 0.00903  -0.06880 299 HOH A O   
1635 O  O   . HOH C .   ? 0.35934 0.27338 0.42062 0.05898  -0.04002 -0.02921 300 HOH A O   
1636 O  O   . HOH C .   ? 0.57286 0.68249 0.64157 -0.04678 -0.10346 -0.02709 301 HOH A O   
1637 O  O   . HOH C .   ? 0.57906 0.33374 0.36091 0.11694  0.17137  0.04844  302 HOH A O   
1638 O  O   . HOH C .   ? 0.57678 0.49153 0.37007 -0.07576 -0.01640 -0.04033 303 HOH A O   
1639 O  O   . HOH C .   ? 0.25011 0.47358 0.25934 -0.02127 -0.05752 -0.00075 304 HOH A O   
1640 O  O   . HOH C .   ? 0.27896 0.59190 0.49840 0.07036  -0.09489 -0.27098 305 HOH A O   
1641 O  O   . HOH C .   ? 0.57262 0.20045 0.55738 0.00141  0.03050  -0.00263 306 HOH A O   
1642 O  O   . HOH C .   ? 0.40005 0.41061 0.43356 0.05144  -0.12926 -0.04561 307 HOH A O   
1643 O  O   . HOH C .   ? 0.51434 0.37781 0.35938 0.01640  -0.02971 -0.05794 308 HOH A O   
1644 O  O   . HOH C .   ? 0.51175 0.30217 0.39636 -0.06482 -0.10939 -0.02404 309 HOH A O   
1645 O  O   . HOH C .   ? 0.90455 0.33576 0.36389 -0.17499 0.24059  -0.05403 310 HOH A O   
1646 O  O   . HOH C .   ? 0.41076 0.21025 0.20337 0.02763  -0.00348 0.00886  311 HOH A O   
1647 O  O   . HOH C .   ? 0.53288 0.43457 0.42837 0.16209  -0.07366 -0.13525 312 HOH A O   
1648 O  O   . HOH C .   ? 0.55481 0.38400 0.55708 -0.12305 -0.01220 -0.00739 313 HOH A O   
1649 O  O   . HOH C .   ? 0.28597 0.59695 0.56367 -0.01415 0.09721  -0.11954 314 HOH A O   
1650 O  O   . HOH C .   ? 0.28225 0.26797 0.33825 -0.08835 0.00852  -0.04555 315 HOH A O   
1651 O  O   . HOH C .   ? 0.41178 0.17481 0.18521 -0.01112 0.06382  -0.02082 316 HOH A O   
1652 O  O   . HOH C .   ? 0.53803 0.53208 0.46769 -0.16104 0.26599  -0.09497 317 HOH A O   
1653 O  O   . HOH C .   ? 0.42410 0.41045 0.32433 0.14267  0.01595  -0.02182 318 HOH A O   
1654 O  O   . HOH C .   ? 0.56405 0.55053 0.37277 -0.24204 -0.03527 -0.07420 319 HOH A O   
1655 O  O   . HOH C .   ? 0.64051 0.33870 0.62432 0.11851  0.01733  -0.03122 320 HOH A O   
1656 O  O   . HOH C .   ? 0.26853 0.34522 0.21567 0.08172  -0.03565 -0.06678 321 HOH A O   
1657 O  O   . HOH C .   ? 0.41623 0.29233 0.23501 0.02289  -0.05642 -0.08588 322 HOH A O   
1658 O  O   . HOH C .   ? 0.68864 0.21122 0.65450 -0.07534 0.00467  0.08664  323 HOH A O   
1659 O  O   . HOH C .   ? 0.35857 0.44793 0.37592 0.00910  -0.00493 -0.06578 324 HOH A O   
1660 O  O   . HOH C .   ? 0.33670 0.39842 0.29091 0.03068  -0.08974 0.02106  325 HOH A O   
1661 O  O   . HOH C .   ? 0.32197 0.23657 0.20072 0.01491  0.03546  -0.04102 326 HOH A O   
1662 O  O   . HOH C .   ? 0.41743 0.49566 0.36594 0.02718  0.05341  0.05909  327 HOH A O   
1663 O  O   . HOH C .   ? 0.56129 0.36775 0.67584 -0.07368 0.01512  -0.06158 328 HOH A O   
1664 O  O   . HOH C .   ? 0.45725 0.42815 0.45988 0.12457  0.02147  -0.06870 329 HOH A O   
1665 O  O   . HOH C .   ? 0.32835 0.42923 0.24796 0.04597  -0.03720 0.02515  330 HOH A O   
1666 O  O   . HOH C .   ? 0.70445 0.75249 0.31205 0.02151  0.07373  0.00349  331 HOH A O   
1667 O  O   . HOH C .   ? 0.52649 0.63186 0.57655 -0.00110 0.17191  -0.02538 332 HOH A O   
1668 O  O   . HOH C .   ? 0.32949 0.84442 0.57466 0.01947  -0.10927 -0.23911 333 HOH A O   
1669 O  O   . HOH C .   ? 0.44404 0.57531 0.47389 -0.07262 -0.09050 0.03958  334 HOH A O   
1670 O  O   . HOH C .   ? 0.48916 0.35584 0.39614 -0.05977 -0.11879 0.08346  335 HOH A O   
1671 O  O   . HOH C .   ? 0.64850 0.27887 0.30717 -0.08070 -0.19224 -0.01033 336 HOH A O   
1672 O  O   . HOH C .   ? 0.92478 0.90810 0.58637 0.08222  -0.01389 -0.05225 337 HOH A O   
1673 O  O   . HOH C .   ? 0.48615 0.29976 0.22591 0.04550  -0.05506 0.03368  338 HOH A O   
1674 O  O   . HOH C .   ? 0.34578 0.45828 0.28556 -0.04189 -0.07573 -0.02389 339 HOH A O   
1675 O  O   . HOH C .   ? 0.37146 0.38256 0.51245 0.08865  -0.07831 -0.01569 340 HOH A O   
1676 O  O   . HOH C .   ? 0.26419 0.28384 0.19355 0.05357  0.01026  -0.04031 341 HOH A O   
1677 O  O   . HOH C .   ? 0.37927 0.71985 0.47290 -0.01650 -0.16853 0.05819  342 HOH A O   
1678 O  O   . HOH C .   ? 0.74280 1.05794 1.10213 -0.06900 -0.00292 0.10234  343 HOH A O   
1679 O  O   . HOH C .   ? 0.40774 0.37932 0.42635 -0.02177 0.05177  0.10976  344 HOH A O   
1680 O  O   . HOH C .   ? 0.31379 0.59905 0.50231 -0.00614 -0.00845 -0.04053 345 HOH A O   
1681 O  O   . HOH C .   ? 0.29140 0.31725 0.27484 -0.01718 -0.03051 0.00526  346 HOH A O   
1682 O  O   . HOH C .   ? 0.72302 0.28862 0.45784 0.03604  0.02005  -0.07396 347 HOH A O   
# 
