data_9MP3
# 
_entry.id   9MP3 
# 
_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   9MP3         pdb_00009mp3 10.2210/pdb9mp3/pdb 
WWPDB D_1000288882 ?            ?                   
# 
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 2025-05-07 ? 
2 'Structure model' 1 1 2025-05-14 ? 
# 
_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.journal_volume'          
2 2 'Structure model' '_citation.page_first'              
3 2 'Structure model' '_citation.page_last'               
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                        9MP3 
_pdbx_database_status.recvd_initial_deposition_date   2024-12-30 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              ret6@cornell.edu 
_pdbx_contact_author.name_first         Robert 
_pdbx_contact_author.name_last          Thorne 
_pdbx_contact_author.name_mi            E. 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-7489-8074 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'McLeod, M.J.'     1 0000-0001-5540-916X 
'Indergaard, J.A.' 2 0000-0002-2367-699X 
'Thorne, R.E.'     3 0000-0002-7489-8074 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Iucrj 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2052-2525 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            12 
_citation.language                  ? 
_citation.page_first                372 
_citation.page_last                 383 
_citation.title                     
;Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution.
;
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1107/S205225252500288X 
_citation.pdbx_database_id_PubMed   40277177 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Indergaard, J.A.' 1 ? 
primary 'Mahmood, K.'      2 ? 
primary 'Gabriel, L.'      3 ? 
primary 'Zhong, G.'        4 ? 
primary 'Lastovka, A.'     5 ? 
primary 'McLeod, M.J.'     6 ? 
primary 'Thorne, R.E.'     7 ? 
# 
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 'Lysozyme C'   16257.660 1   3.2.1.17 ? ? ? 
2 non-polymer nat 'CHLORIDE ION' 35.453    4   ?        ? ? ? 
3 non-polymer syn 'SODIUM ION'   22.990    1   ?        ? ? ? 
4 water       nat water          18.015    193 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        '1,4-beta-N-acetylmuramidase C,Allergen Gal d IV' 
# 
_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       
;MRSLLILVLCFLPLAALGKVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRW
WCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MRSLLILVLCFLPLAALGKVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRW
WCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_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 'CHLORIDE ION' CL  
3 'SODIUM ION'   NA  
4 water          HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   ARG n 
1 3   SER n 
1 4   LEU n 
1 5   LEU n 
1 6   ILE n 
1 7   LEU n 
1 8   VAL n 
1 9   LEU n 
1 10  CYS n 
1 11  PHE n 
1 12  LEU n 
1 13  PRO n 
1 14  LEU n 
1 15  ALA n 
1 16  ALA n 
1 17  LEU n 
1 18  GLY n 
1 19  LYS n 
1 20  VAL n 
1 21  PHE n 
1 22  GLY n 
1 23  ARG n 
1 24  CYS n 
1 25  GLU n 
1 26  LEU n 
1 27  ALA n 
1 28  ALA n 
1 29  ALA n 
1 30  MET n 
1 31  LYS n 
1 32  ARG n 
1 33  HIS n 
1 34  GLY n 
1 35  LEU n 
1 36  ASP n 
1 37  ASN n 
1 38  TYR n 
1 39  ARG n 
1 40  GLY n 
1 41  TYR n 
1 42  SER n 
1 43  LEU n 
1 44  GLY n 
1 45  ASN n 
1 46  TRP n 
1 47  VAL n 
1 48  CYS n 
1 49  ALA n 
1 50  ALA n 
1 51  LYS n 
1 52  PHE n 
1 53  GLU n 
1 54  SER n 
1 55  ASN n 
1 56  PHE n 
1 57  ASN n 
1 58  THR n 
1 59  GLN n 
1 60  ALA n 
1 61  THR n 
1 62  ASN n 
1 63  ARG n 
1 64  ASN n 
1 65  THR n 
1 66  ASP n 
1 67  GLY n 
1 68  SER n 
1 69  THR n 
1 70  ASP n 
1 71  TYR n 
1 72  GLY n 
1 73  ILE n 
1 74  LEU n 
1 75  GLN n 
1 76  ILE n 
1 77  ASN n 
1 78  SER n 
1 79  ARG n 
1 80  TRP n 
1 81  TRP n 
1 82  CYS n 
1 83  ASN n 
1 84  ASP n 
1 85  GLY n 
1 86  ARG n 
1 87  THR n 
1 88  PRO n 
1 89  GLY n 
1 90  SER n 
1 91  ARG n 
1 92  ASN n 
1 93  LEU n 
1 94  CYS n 
1 95  ASN n 
1 96  ILE n 
1 97  PRO n 
1 98  CYS n 
1 99  SER n 
1 100 ALA n 
1 101 LEU n 
1 102 LEU n 
1 103 SER n 
1 104 SER n 
1 105 ASP n 
1 106 ILE n 
1 107 THR n 
1 108 ALA n 
1 109 SER n 
1 110 VAL n 
1 111 ASN n 
1 112 CYS n 
1 113 ALA n 
1 114 LYS n 
1 115 LYS n 
1 116 ILE n 
1 117 VAL n 
1 118 SER n 
1 119 ASP n 
1 120 GLY n 
1 121 ASN n 
1 122 GLY n 
1 123 MET n 
1 124 ASN n 
1 125 ALA n 
1 126 TRP n 
1 127 VAL n 
1 128 ALA n 
1 129 TRP n 
1 130 ARG n 
1 131 ASN n 
1 132 ARG n 
1 133 CYS n 
1 134 LYS n 
1 135 GLY n 
1 136 THR n 
1 137 ASP n 
1 138 VAL n 
1 139 GLN n 
1 140 ALA n 
1 141 TRP n 
1 142 ILE n 
1 143 ARG n 
1 144 GLY n 
1 145 CYS n 
1 146 ARG n 
1 147 LEU 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                   147 
_entity_src_gen.gene_src_common_name               chicken 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 LYZ 
_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      'Gallus gallus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9031 
_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      'Gallus gallus' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     9031 
_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 
CL  non-polymer         . 'CHLORIDE ION'  ? 'Cl -1'          35.453  
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.211 
NA  non-polymer         . 'SODIUM ION'    ? 'Na 1'           22.990  
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   1   ?   ?   ?   A . n 
A 1 2   ARG 2   2   ?   ?   ?   A . n 
A 1 3   SER 3   3   ?   ?   ?   A . n 
A 1 4   LEU 4   4   ?   ?   ?   A . n 
A 1 5   LEU 5   5   ?   ?   ?   A . n 
A 1 6   ILE 6   6   ?   ?   ?   A . n 
A 1 7   LEU 7   7   ?   ?   ?   A . n 
A 1 8   VAL 8   8   ?   ?   ?   A . n 
A 1 9   LEU 9   9   ?   ?   ?   A . n 
A 1 10  CYS 10  10  ?   ?   ?   A . n 
A 1 11  PHE 11  11  ?   ?   ?   A . n 
A 1 12  LEU 12  12  ?   ?   ?   A . n 
A 1 13  PRO 13  13  ?   ?   ?   A . n 
A 1 14  LEU 14  14  ?   ?   ?   A . n 
A 1 15  ALA 15  15  ?   ?   ?   A . n 
A 1 16  ALA 16  16  ?   ?   ?   A . n 
A 1 17  LEU 17  17  ?   ?   ?   A . n 
A 1 18  GLY 18  18  ?   ?   ?   A . n 
A 1 19  LYS 19  19  19  LYS LYS A . n 
A 1 20  VAL 20  20  20  VAL VAL A . n 
A 1 21  PHE 21  21  21  PHE PHE A . n 
A 1 22  GLY 22  22  22  GLY GLY A . n 
A 1 23  ARG 23  23  23  ARG ARG A . n 
A 1 24  CYS 24  24  24  CYS CYS A . n 
A 1 25  GLU 25  25  25  GLU GLU A . n 
A 1 26  LEU 26  26  26  LEU LEU A . n 
A 1 27  ALA 27  27  27  ALA ALA A . n 
A 1 28  ALA 28  28  28  ALA ALA A . n 
A 1 29  ALA 29  29  29  ALA ALA A . n 
A 1 30  MET 30  30  30  MET MET A . n 
A 1 31  LYS 31  31  31  LYS LYS A . n 
A 1 32  ARG 32  32  32  ARG ARG A . n 
A 1 33  HIS 33  33  33  HIS HIS A . n 
A 1 34  GLY 34  34  34  GLY GLY A . n 
A 1 35  LEU 35  35  35  LEU LEU A . n 
A 1 36  ASP 36  36  36  ASP ASP A . n 
A 1 37  ASN 37  37  37  ASN ASN A . n 
A 1 38  TYR 38  38  38  TYR TYR A . n 
A 1 39  ARG 39  39  39  ARG ARG A . n 
A 1 40  GLY 40  40  40  GLY GLY A . n 
A 1 41  TYR 41  41  41  TYR TYR A . n 
A 1 42  SER 42  42  42  SER SER A . n 
A 1 43  LEU 43  43  43  LEU LEU A . n 
A 1 44  GLY 44  44  44  GLY GLY A . n 
A 1 45  ASN 45  45  45  ASN ASN A . n 
A 1 46  TRP 46  46  46  TRP TRP A . n 
A 1 47  VAL 47  47  47  VAL VAL A . n 
A 1 48  CYS 48  48  48  CYS CYS A . n 
A 1 49  ALA 49  49  49  ALA ALA A . n 
A 1 50  ALA 50  50  50  ALA ALA A . n 
A 1 51  LYS 51  51  51  LYS LYS A . n 
A 1 52  PHE 52  52  52  PHE PHE A . n 
A 1 53  GLU 53  53  53  GLU GLU A . n 
A 1 54  SER 54  54  54  SER SER A . n 
A 1 55  ASN 55  55  55  ASN ASN A . n 
A 1 56  PHE 56  56  56  PHE PHE A . n 
A 1 57  ASN 57  57  57  ASN ASN A . n 
A 1 58  THR 58  58  58  THR THR A . n 
A 1 59  GLN 59  59  59  GLN GLN A . n 
A 1 60  ALA 60  60  60  ALA ALA A . n 
A 1 61  THR 61  61  61  THR THR A . n 
A 1 62  ASN 62  62  62  ASN ASN A . n 
A 1 63  ARG 63  63  63  ARG ARG A . n 
A 1 64  ASN 64  64  64  ASN ASN A . n 
A 1 65  THR 65  65  65  THR THR A . n 
A 1 66  ASP 66  66  66  ASP ASP A . n 
A 1 67  GLY 67  67  67  GLY GLY A . n 
A 1 68  SER 68  68  68  SER SER A . n 
A 1 69  THR 69  69  69  THR THR A . n 
A 1 70  ASP 70  70  70  ASP ASP A . n 
A 1 71  TYR 71  71  71  TYR TYR A . n 
A 1 72  GLY 72  72  72  GLY GLY A . n 
A 1 73  ILE 73  73  73  ILE ILE A . n 
A 1 74  LEU 74  74  74  LEU LEU A . n 
A 1 75  GLN 75  75  75  GLN GLN A . n 
A 1 76  ILE 76  76  76  ILE ILE A . n 
A 1 77  ASN 77  77  77  ASN ASN A . n 
A 1 78  SER 78  78  78  SER SER A . n 
A 1 79  ARG 79  79  79  ARG ARG A . n 
A 1 80  TRP 80  80  80  TRP TRP A . n 
A 1 81  TRP 81  81  81  TRP TRP A . n 
A 1 82  CYS 82  82  82  CYS CYS A . n 
A 1 83  ASN 83  83  83  ASN ASN A . n 
A 1 84  ASP 84  84  84  ASP ASP A . n 
A 1 85  GLY 85  85  85  GLY GLY A . n 
A 1 86  ARG 86  86  86  ARG ARG A . n 
A 1 87  THR 87  87  87  THR THR A . n 
A 1 88  PRO 88  88  88  PRO PRO A . n 
A 1 89  GLY 89  89  89  GLY GLY A . n 
A 1 90  SER 90  90  90  SER SER A . n 
A 1 91  ARG 91  91  91  ARG ARG A . n 
A 1 92  ASN 92  92  92  ASN ASN A . n 
A 1 93  LEU 93  93  93  LEU LEU A . n 
A 1 94  CYS 94  94  94  CYS CYS A . n 
A 1 95  ASN 95  95  95  ASN ASN A . n 
A 1 96  ILE 96  96  96  ILE ILE A . n 
A 1 97  PRO 97  97  97  PRO PRO A . n 
A 1 98  CYS 98  98  98  CYS CYS A . n 
A 1 99  SER 99  99  99  SER SER A . n 
A 1 100 ALA 100 100 100 ALA ALA A . n 
A 1 101 LEU 101 101 101 LEU LEU A . n 
A 1 102 LEU 102 102 102 LEU LEU A . n 
A 1 103 SER 103 103 103 SER SER A . n 
A 1 104 SER 104 104 104 SER SER A . n 
A 1 105 ASP 105 105 105 ASP ASP A . n 
A 1 106 ILE 106 106 106 ILE ILE A . n 
A 1 107 THR 107 107 107 THR THR A . n 
A 1 108 ALA 108 108 108 ALA ALA A . n 
A 1 109 SER 109 109 109 SER SER A . n 
A 1 110 VAL 110 110 110 VAL VAL A . n 
A 1 111 ASN 111 111 111 ASN ASN A . n 
A 1 112 CYS 112 112 112 CYS CYS A . n 
A 1 113 ALA 113 113 113 ALA ALA A . n 
A 1 114 LYS 114 114 114 LYS LYS A . n 
A 1 115 LYS 115 115 115 LYS LYS A . n 
A 1 116 ILE 116 116 116 ILE ILE A . n 
A 1 117 VAL 117 117 117 VAL VAL A . n 
A 1 118 SER 118 118 118 SER SER A . n 
A 1 119 ASP 119 119 119 ASP ASP A . n 
A 1 120 GLY 120 120 120 GLY GLY A . n 
A 1 121 ASN 121 121 121 ASN ASN A . n 
A 1 122 GLY 122 122 122 GLY GLY A . n 
A 1 123 MET 123 123 123 MET MET A . n 
A 1 124 ASN 124 124 124 ASN ASN A . n 
A 1 125 ALA 125 125 125 ALA ALA A . n 
A 1 126 TRP 126 126 126 TRP TRP A . n 
A 1 127 VAL 127 127 127 VAL VAL A . n 
A 1 128 ALA 128 128 128 ALA ALA A . n 
A 1 129 TRP 129 129 129 TRP TRP A . n 
A 1 130 ARG 130 130 130 ARG ARG A . n 
A 1 131 ASN 131 131 131 ASN ASN A . n 
A 1 132 ARG 132 132 132 ARG ARG A . n 
A 1 133 CYS 133 133 133 CYS CYS A . n 
A 1 134 LYS 134 134 134 LYS LYS A . n 
A 1 135 GLY 135 135 135 GLY GLY A . n 
A 1 136 THR 136 136 136 THR THR A . n 
A 1 137 ASP 137 137 137 ASP ASP A . n 
A 1 138 VAL 138 138 138 VAL VAL A . n 
A 1 139 GLN 139 139 139 GLN GLN A . n 
A 1 140 ALA 140 140 140 ALA ALA A . n 
A 1 141 TRP 141 141 141 TRP TRP A . n 
A 1 142 ILE 142 142 142 ILE ILE A . n 
A 1 143 ARG 143 143 143 ARG ARG A . n 
A 1 144 GLY 144 144 144 GLY GLY A . n 
A 1 145 CYS 145 145 145 CYS CYS A . n 
A 1 146 ARG 146 146 146 ARG ARG A . n 
A 1 147 LEU 147 147 147 LEU LEU 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 CL  1   201 202 CL  CL  A . 
C 2 CL  1   202 203 CL  CL  A . 
D 2 CL  1   203 204 CL  CL  A . 
E 2 CL  1   204 205 CL  CL  A . 
F 3 NA  1   205 206 NA  NA  A . 
G 4 HOH 1   301 148 HOH HOH A . 
G 4 HOH 2   302 171 HOH HOH A . 
G 4 HOH 3   303 106 HOH HOH A . 
G 4 HOH 4   304 73  HOH HOH A . 
G 4 HOH 5   305 135 HOH HOH A . 
G 4 HOH 6   306 134 HOH HOH A . 
G 4 HOH 7   307 108 HOH HOH A . 
G 4 HOH 8   308 192 HOH HOH A . 
G 4 HOH 9   309 110 HOH HOH A . 
G 4 HOH 10  310 117 HOH HOH A . 
G 4 HOH 11  311 176 HOH HOH A . 
G 4 HOH 12  312 143 HOH HOH A . 
G 4 HOH 13  313 187 HOH HOH A . 
G 4 HOH 14  314 111 HOH HOH A . 
G 4 HOH 15  315 179 HOH HOH A . 
G 4 HOH 16  316 193 HOH HOH A . 
G 4 HOH 17  317 93  HOH HOH A . 
G 4 HOH 18  318 19  HOH HOH A . 
G 4 HOH 19  319 7   HOH HOH A . 
G 4 HOH 20  320 85  HOH HOH A . 
G 4 HOH 21  321 70  HOH HOH A . 
G 4 HOH 22  322 109 HOH HOH A . 
G 4 HOH 23  323 24  HOH HOH A . 
G 4 HOH 24  324 49  HOH HOH A . 
G 4 HOH 25  325 185 HOH HOH A . 
G 4 HOH 26  326 98  HOH HOH A . 
G 4 HOH 27  327 64  HOH HOH A . 
G 4 HOH 28  328 113 HOH HOH A . 
G 4 HOH 29  329 156 HOH HOH A . 
G 4 HOH 30  330 60  HOH HOH A . 
G 4 HOH 31  331 175 HOH HOH A . 
G 4 HOH 32  332 12  HOH HOH A . 
G 4 HOH 33  333 165 HOH HOH A . 
G 4 HOH 34  334 29  HOH HOH A . 
G 4 HOH 35  335 61  HOH HOH A . 
G 4 HOH 36  336 144 HOH HOH A . 
G 4 HOH 37  337 83  HOH HOH A . 
G 4 HOH 38  338 132 HOH HOH A . 
G 4 HOH 39  339 51  HOH HOH A . 
G 4 HOH 40  340 147 HOH HOH A . 
G 4 HOH 41  341 101 HOH HOH A . 
G 4 HOH 42  342 23  HOH HOH A . 
G 4 HOH 43  343 30  HOH HOH A . 
G 4 HOH 44  344 167 HOH HOH A . 
G 4 HOH 45  345 10  HOH HOH A . 
G 4 HOH 46  346 1   HOH HOH A . 
G 4 HOH 47  347 138 HOH HOH A . 
G 4 HOH 48  348 42  HOH HOH A . 
G 4 HOH 49  349 149 HOH HOH A . 
G 4 HOH 50  350 35  HOH HOH A . 
G 4 HOH 51  351 22  HOH HOH A . 
G 4 HOH 52  352 115 HOH HOH A . 
G 4 HOH 53  353 8   HOH HOH A . 
G 4 HOH 54  354 161 HOH HOH A . 
G 4 HOH 55  355 38  HOH HOH A . 
G 4 HOH 56  356 56  HOH HOH A . 
G 4 HOH 57  357 67  HOH HOH A . 
G 4 HOH 58  358 37  HOH HOH A . 
G 4 HOH 59  359 27  HOH HOH A . 
G 4 HOH 60  360 20  HOH HOH A . 
G 4 HOH 61  361 76  HOH HOH A . 
G 4 HOH 62  362 116 HOH HOH A . 
G 4 HOH 63  363 15  HOH HOH A . 
G 4 HOH 64  364 141 HOH HOH A . 
G 4 HOH 65  365 21  HOH HOH A . 
G 4 HOH 66  366 55  HOH HOH A . 
G 4 HOH 67  367 91  HOH HOH A . 
G 4 HOH 68  368 62  HOH HOH A . 
G 4 HOH 69  369 18  HOH HOH A . 
G 4 HOH 70  370 100 HOH HOH A . 
G 4 HOH 71  371 52  HOH HOH A . 
G 4 HOH 72  372 39  HOH HOH A . 
G 4 HOH 73  373 53  HOH HOH A . 
G 4 HOH 74  374 47  HOH HOH A . 
G 4 HOH 75  375 45  HOH HOH A . 
G 4 HOH 76  376 71  HOH HOH A . 
G 4 HOH 77  377 99  HOH HOH A . 
G 4 HOH 78  378 94  HOH HOH A . 
G 4 HOH 79  379 104 HOH HOH A . 
G 4 HOH 80  380 28  HOH HOH A . 
G 4 HOH 81  381 88  HOH HOH A . 
G 4 HOH 82  382 31  HOH HOH A . 
G 4 HOH 83  383 58  HOH HOH A . 
G 4 HOH 84  384 26  HOH HOH A . 
G 4 HOH 85  385 102 HOH HOH A . 
G 4 HOH 86  386 158 HOH HOH A . 
G 4 HOH 87  387 66  HOH HOH A . 
G 4 HOH 88  388 137 HOH HOH A . 
G 4 HOH 89  389 79  HOH HOH A . 
G 4 HOH 90  390 54  HOH HOH A . 
G 4 HOH 91  391 33  HOH HOH A . 
G 4 HOH 92  392 3   HOH HOH A . 
G 4 HOH 93  393 16  HOH HOH A . 
G 4 HOH 94  394 11  HOH HOH A . 
G 4 HOH 95  395 123 HOH HOH A . 
G 4 HOH 96  396 84  HOH HOH A . 
G 4 HOH 97  397 63  HOH HOH A . 
G 4 HOH 98  398 72  HOH HOH A . 
G 4 HOH 99  399 32  HOH HOH A . 
G 4 HOH 100 400 59  HOH HOH A . 
G 4 HOH 101 401 127 HOH HOH A . 
G 4 HOH 102 402 48  HOH HOH A . 
G 4 HOH 103 403 17  HOH HOH A . 
G 4 HOH 104 404 44  HOH HOH A . 
G 4 HOH 105 405 57  HOH HOH A . 
G 4 HOH 106 406 5   HOH HOH A . 
G 4 HOH 107 407 43  HOH HOH A . 
G 4 HOH 108 408 183 HOH HOH A . 
G 4 HOH 109 409 82  HOH HOH A . 
G 4 HOH 110 410 65  HOH HOH A . 
G 4 HOH 111 411 170 HOH HOH A . 
G 4 HOH 112 412 181 HOH HOH A . 
G 4 HOH 113 413 96  HOH HOH A . 
G 4 HOH 114 414 155 HOH HOH A . 
G 4 HOH 115 415 174 HOH HOH A . 
G 4 HOH 116 416 136 HOH HOH A . 
G 4 HOH 117 417 166 HOH HOH A . 
G 4 HOH 118 418 169 HOH HOH A . 
G 4 HOH 119 419 153 HOH HOH A . 
G 4 HOH 120 420 25  HOH HOH A . 
G 4 HOH 121 421 130 HOH HOH A . 
G 4 HOH 122 422 90  HOH HOH A . 
G 4 HOH 123 423 6   HOH HOH A . 
G 4 HOH 124 424 95  HOH HOH A . 
G 4 HOH 125 425 40  HOH HOH A . 
G 4 HOH 126 426 159 HOH HOH A . 
G 4 HOH 127 427 142 HOH HOH A . 
G 4 HOH 128 428 13  HOH HOH A . 
G 4 HOH 129 429 154 HOH HOH A . 
G 4 HOH 130 430 69  HOH HOH A . 
G 4 HOH 131 431 4   HOH HOH A . 
G 4 HOH 132 432 103 HOH HOH A . 
G 4 HOH 133 433 182 HOH HOH A . 
G 4 HOH 134 434 172 HOH HOH A . 
G 4 HOH 135 435 126 HOH HOH A . 
G 4 HOH 136 436 14  HOH HOH A . 
G 4 HOH 137 437 125 HOH HOH A . 
G 4 HOH 138 438 34  HOH HOH A . 
G 4 HOH 139 439 168 HOH HOH A . 
G 4 HOH 140 440 128 HOH HOH A . 
G 4 HOH 141 441 92  HOH HOH A . 
G 4 HOH 142 442 36  HOH HOH A . 
G 4 HOH 143 443 131 HOH HOH A . 
G 4 HOH 144 444 87  HOH HOH A . 
G 4 HOH 145 445 124 HOH HOH A . 
G 4 HOH 146 446 9   HOH HOH A . 
G 4 HOH 147 447 41  HOH HOH A . 
G 4 HOH 148 448 184 HOH HOH A . 
G 4 HOH 149 449 191 HOH HOH A . 
G 4 HOH 150 450 2   HOH HOH A . 
G 4 HOH 151 451 164 HOH HOH A . 
G 4 HOH 152 452 160 HOH HOH A . 
G 4 HOH 153 453 77  HOH HOH A . 
G 4 HOH 154 454 146 HOH HOH A . 
G 4 HOH 155 455 186 HOH HOH A . 
G 4 HOH 156 456 97  HOH HOH A . 
G 4 HOH 157 457 81  HOH HOH A . 
G 4 HOH 158 458 180 HOH HOH A . 
G 4 HOH 159 459 112 HOH HOH A . 
G 4 HOH 160 460 86  HOH HOH A . 
G 4 HOH 161 461 120 HOH HOH A . 
G 4 HOH 162 462 68  HOH HOH A . 
G 4 HOH 163 463 157 HOH HOH A . 
G 4 HOH 164 464 178 HOH HOH A . 
G 4 HOH 165 465 46  HOH HOH A . 
G 4 HOH 166 466 50  HOH HOH A . 
G 4 HOH 167 467 151 HOH HOH A . 
G 4 HOH 168 468 177 HOH HOH A . 
G 4 HOH 169 469 163 HOH HOH A . 
G 4 HOH 170 470 133 HOH HOH A . 
G 4 HOH 171 471 189 HOH HOH A . 
G 4 HOH 172 472 162 HOH HOH A . 
G 4 HOH 173 473 105 HOH HOH A . 
G 4 HOH 174 474 118 HOH HOH A . 
G 4 HOH 175 475 129 HOH HOH A . 
G 4 HOH 176 476 139 HOH HOH A . 
G 4 HOH 177 477 145 HOH HOH A . 
G 4 HOH 178 478 173 HOH HOH A . 
G 4 HOH 179 479 107 HOH HOH A . 
G 4 HOH 180 480 150 HOH HOH A . 
G 4 HOH 181 481 89  HOH HOH A . 
G 4 HOH 182 482 188 HOH HOH A . 
G 4 HOH 183 483 122 HOH HOH A . 
G 4 HOH 184 484 121 HOH HOH A . 
G 4 HOH 185 485 74  HOH HOH A . 
G 4 HOH 186 486 80  HOH HOH A . 
G 4 HOH 187 487 152 HOH HOH A . 
G 4 HOH 188 488 78  HOH HOH A . 
G 4 HOH 189 489 114 HOH HOH A . 
G 4 HOH 190 490 140 HOH HOH A . 
G 4 HOH 191 491 75  HOH HOH A . 
G 4 HOH 192 492 119 HOH HOH A . 
G 4 HOH 193 493 190 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 ? ? ? '(1.21rc1_5170: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? DIALS  ? ? ? .                     2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? DIALS  ? ? ? .                     3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? .                     4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9MP3 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     77.462 
_cell.length_a_esd                 ? 
_cell.length_b                     77.462 
_cell.length_b_esd                 ? 
_cell.length_c                     38.288 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9MP3 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                96 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 43 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9MP3 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             1.77 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          30.37 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'SMALL TUBES' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              4.6 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.1 M sodium acetate pH 4.6, 20 % (w/v) sodium chloride, 5 % PEG 4000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_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         2024-09-25 
_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   0.9686 
_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                        'CHESS BEAMLINE 7B2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9686 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   7B2 
_diffrn_source.pdbx_synchrotron_site       CHESS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9MP3 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.30 
_reflns.d_resolution_low                               77.45 
_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                                     26820 
_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                           91.74 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.45 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          18.9 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.052 
_reflns.pdbx_Rpim_I_all                                0.019 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.048 
_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                                    1.3 
_reflns_shell.d_res_low                                     1.32 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.2 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1367 
_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                               3.89 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               0.509 
_reflns_shell.pdbx_Rpim_I_all                               0.245 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.844 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          93.44 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.442 
_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                               ? 
_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                                 9MP3 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.30 
_refine.ls_d_res_low                             54.77 
_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                     26786 
_refine.ls_number_reflns_R_free                  1357 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    91.60 
_refine.ls_percent_reflns_R_free                 5.07 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1815 
_refine.ls_R_factor_R_free                       0.2237 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1792 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 21.96 
_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                            0.16 
_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                       1.30 
_refine_hist.d_res_low                        54.77 
_refine_hist.number_atoms_solvent             193 
_refine_hist.number_atoms_total               1198 
_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        1000 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         5 
_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' ? 0.005  ? ?   ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.748  ? ?   ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 11.785 ? 376 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.079  ? 150 ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.007  ? 187 ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.30 1.35  . . 137 2585 95.00 . . . . 0.2539 . . . . . . . . . . . 0.2693 
'X-RAY DIFFRACTION' 1.35 1.40  . . 136 2577 95.00 . . . . 0.2371 . . . . . . . . . . . 0.2649 
'X-RAY DIFFRACTION' 1.40 1.46  . . 130 2588 94.00 . . . . 0.2176 . . . . . . . . . . . 0.2669 
'X-RAY DIFFRACTION' 1.46 1.54  . . 154 2554 94.00 . . . . 0.2105 . . . . . . . . . . . 0.2656 
'X-RAY DIFFRACTION' 1.54 1.64  . . 137 2529 93.00 . . . . 0.1942 . . . . . . . . . . . 0.2187 
'X-RAY DIFFRACTION' 1.64 1.76  . . 129 2569 92.00 . . . . 0.1849 . . . . . . . . . . . 0.2640 
'X-RAY DIFFRACTION' 1.76 1.94  . . 119 2529 91.00 . . . . 0.1876 . . . . . . . . . . . 0.2104 
'X-RAY DIFFRACTION' 1.94 2.22  . . 142 2499 90.00 . . . . 0.1662 . . . . . . . . . . . 0.2082 
'X-RAY DIFFRACTION' 2.22 2.80  . . 137 2492 89.00 . . . . 0.1770 . . . . . . . . . . . 0.1931 
'X-RAY DIFFRACTION' 2.80 54.77 . . 136 2507 84.00 . . . . 0.1636 . . . . . . . . . . . 0.2307 
# 
_struct.entry_id                     9MP3 
_struct.title                        'Mix & Quench Time Resolved Lysozyme - NAG1 Complex (0 ms)' 
_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        9MP3 
_struct_keywords.text            'Time resolved, inhibitor, complex, HYDROLASE' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
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 2 ? 
D N N 2 ? 
E N N 2 ? 
F N N 3 ? 
G N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    LYSC_CHICK 
_struct_ref.pdbx_db_accession          P00698 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MRSLLILVLCFLPLAALGKVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRW
WCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9MP3 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 147 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00698 
_struct_ref_seq.db_align_beg                  1 
_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       147 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLY A 22  ? HIS A 33  ? GLY A 22  HIS A 33  1 ? 12 
HELX_P HELX_P2 AA2 ASN A 37  ? TYR A 41  ? ASN A 37  TYR A 41  5 ? 5  
HELX_P HELX_P3 AA3 SER A 42  ? ASN A 55  ? SER A 42  ASN A 55  1 ? 14 
HELX_P HELX_P4 AA4 PRO A 97  ? SER A 103 ? PRO A 97  SER A 103 5 ? 7  
HELX_P HELX_P5 AA5 ILE A 106 ? SER A 118 ? ILE A 106 SER A 118 1 ? 13 
HELX_P HELX_P6 AA6 ASN A 121 ? ALA A 125 ? ASN A 121 ALA A 125 5 ? 5  
HELX_P HELX_P7 AA7 TRP A 126 ? CYS A 133 ? TRP A 126 CYS A 133 1 ? 8  
HELX_P HELX_P8 AA8 ASP A 137 ? ARG A 143 ? ASP A 137 ARG A 143 5 ? 7  
# 
_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 
disulf1 disulf ? ? A CYS 24 SG ? ? ? 1_555 A CYS 145 SG ? ? A CYS 24  A CYS 145 1_555 ? ? ? ? ? ? ? 2.030 ? ? 
disulf2 disulf ? ? A CYS 48 SG ? ? ? 1_555 A CYS 133 SG ? ? A CYS 48  A CYS 133 1_555 ? ? ? ? ? ? ? 2.048 ? ? 
disulf3 disulf ? ? A CYS 82 SG ? ? ? 1_555 A CYS 98  SG ? ? A CYS 82  A CYS 98  1_555 ? ? ? ? ? ? ? 2.023 ? ? 
disulf4 disulf ? ? A CYS 94 SG ? ? ? 1_555 A CYS 112 SG ? ? A CYS 94  A CYS 112 1_555 ? ? ? ? ? ? ? 2.032 ? ? 
metalc1 metalc ? ? A SER 78 O  ? ? ? 1_555 F NA  .   NA ? ? A SER 78  A NA  205 1_555 ? ? ? ? ? ? ? 2.339 ? ? 
metalc2 metalc ? ? A CYS 82 O  ? ? ? 1_555 F NA  .   NA ? ? A CYS 82  A NA  205 1_555 ? ? ? ? ? ? ? 2.348 ? ? 
metalc3 metalc ? ? A SER 90 OG ? ? ? 1_555 F NA  .   NA ? ? A SER 90  A NA  205 1_555 ? ? ? ? ? ? ? 2.488 ? ? 
metalc4 metalc ? ? A ARG 91 O  ? ? ? 1_555 F NA  .   NA ? ? A ARG 91  A NA  205 1_555 ? ? ? ? ? ? ? 2.433 ? ? 
metalc5 metalc ? ? F NA  .  NA ? ? ? 1_555 G HOH .   O  ? ? A NA  205 A HOH 369 1_555 ? ? ? ? ? ? ? 2.486 ? ? 
metalc6 metalc ? ? F NA  .  NA ? ? ? 1_555 G HOH .   O  ? ? A NA  205 A HOH 399 1_555 ? ? ? ? ? ? ? 2.462 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
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  O  ? A SER 78 ? A SER 78  ? 1_555 NA ? F NA . ? A NA 205 ? 1_555 O  ? A CYS 82 ? A CYS 82  ? 1_555 91.1  ? 
2  O  ? A SER 78 ? A SER 78  ? 1_555 NA ? F NA . ? A NA 205 ? 1_555 OG ? A SER 90 ? A SER 90  ? 1_555 84.7  ? 
3  O  ? A CYS 82 ? A CYS 82  ? 1_555 NA ? F NA . ? A NA 205 ? 1_555 OG ? A SER 90 ? A SER 90  ? 1_555 167.2 ? 
4  O  ? A SER 78 ? A SER 78  ? 1_555 NA ? F NA . ? A NA 205 ? 1_555 O  ? A ARG 91 ? A ARG 91  ? 1_555 93.0  ? 
5  O  ? A CYS 82 ? A CYS 82  ? 1_555 NA ? F NA . ? A NA 205 ? 1_555 O  ? A ARG 91 ? A ARG 91  ? 1_555 92.0  ? 
6  OG ? A SER 90 ? A SER 90  ? 1_555 NA ? F NA . ? A NA 205 ? 1_555 O  ? A ARG 91 ? A ARG 91  ? 1_555 100.2 ? 
7  O  ? A SER 78 ? A SER 78  ? 1_555 NA ? F NA . ? A NA 205 ? 1_555 O  ? G HOH .  ? A HOH 369 ? 1_555 98.0  ? 
8  O  ? A CYS 82 ? A CYS 82  ? 1_555 NA ? F NA . ? A NA 205 ? 1_555 O  ? G HOH .  ? A HOH 369 ? 1_555 89.9  ? 
9  OG ? A SER 90 ? A SER 90  ? 1_555 NA ? F NA . ? A NA 205 ? 1_555 O  ? G HOH .  ? A HOH 369 ? 1_555 78.8  ? 
10 O  ? A ARG 91 ? A ARG 91  ? 1_555 NA ? F NA . ? A NA 205 ? 1_555 O  ? G HOH .  ? A HOH 369 ? 1_555 168.8 ? 
11 O  ? A SER 78 ? A SER 78  ? 1_555 NA ? F NA . ? A NA 205 ? 1_555 O  ? G HOH .  ? A HOH 399 ? 1_555 170.6 ? 
12 O  ? A CYS 82 ? A CYS 82  ? 1_555 NA ? F NA . ? A NA 205 ? 1_555 O  ? G HOH .  ? A HOH 399 ? 1_555 98.1  ? 
13 OG ? A SER 90 ? A SER 90  ? 1_555 NA ? F NA . ? A NA 205 ? 1_555 O  ? G HOH .  ? A HOH 399 ? 1_555 85.9  ? 
14 O  ? A ARG 91 ? A ARG 91  ? 1_555 NA ? F NA . ? A NA 205 ? 1_555 O  ? G HOH .  ? A HOH 399 ? 1_555 88.3  ? 
15 O  ? G HOH .  ? A HOH 369 ? 1_555 NA ? F NA . ? A NA 205 ? 1_555 O  ? G HOH .  ? A HOH 399 ? 1_555 80.6  ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 24 ? CYS A 145 ? CYS A 24 ? 1_555 CYS A 145 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 48 ? CYS A 133 ? CYS A 48 ? 1_555 CYS A 133 ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 82 ? CYS A 98  ? CYS A 82 ? 1_555 CYS A 98  ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 94 ? CYS A 112 ? CYS A 94 ? 1_555 CYS A 112 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   3 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 THR A 61 ? ARG A 63 ? THR A 61 ARG A 63 
AA1 2 THR A 69 ? TYR A 71 ? THR A 69 TYR A 71 
AA1 3 ILE A 76 ? ASN A 77 ? ILE A 76 ASN A 77 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ASN A 62 ? N ASN A 62 O ASP A 70 ? O ASP A 70 
AA1 2 3 N TYR A 71 ? N TYR A 71 O ILE A 76 ? O ILE A 76 
# 
_pdbx_entry_details.entry_id                   9MP3 
_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   Y 
# 
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 381 ? ? O A HOH 427 ? ? 2.12 
2 1 O A HOH 453 ? ? O A HOH 488 ? ? 2.15 
3 1 O A HOH 453 ? ? O A HOH 462 ? ? 2.18 
4 1 O A HOH 457 ? ? O A HOH 485 ? ? 2.18 
5 1 O A ARG 146 ? ? O A HOH 301 ? ? 2.19 
6 1 O A HOH 302 ? ? O A HOH 459 ? ? 2.19 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 427 ? ? 1_555 O A HOH 427 ? ? 7_555 2.09 
2 1 O A HOH 442 ? ? 1_555 O A HOH 442 ? ? 8_554 2.17 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 368 ? G HOH . 
2 1 A HOH 474 ? G HOH . 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       493 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.96 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A MET 1  ? A MET 1  
2  1 Y 1 A ARG 2  ? A ARG 2  
3  1 Y 1 A SER 3  ? A SER 3  
4  1 Y 1 A LEU 4  ? A LEU 4  
5  1 Y 1 A LEU 5  ? A LEU 5  
6  1 Y 1 A ILE 6  ? A ILE 6  
7  1 Y 1 A LEU 7  ? A LEU 7  
8  1 Y 1 A VAL 8  ? A VAL 8  
9  1 Y 1 A LEU 9  ? A LEU 9  
10 1 Y 1 A CYS 10 ? A CYS 10 
11 1 Y 1 A PHE 11 ? A PHE 11 
12 1 Y 1 A LEU 12 ? A LEU 12 
13 1 Y 1 A PRO 13 ? A PRO 13 
14 1 Y 1 A LEU 14 ? A LEU 14 
15 1 Y 1 A ALA 15 ? A ALA 15 
16 1 Y 1 A ALA 16 ? A ALA 16 
17 1 Y 1 A LEU 17 ? A LEU 17 
18 1 Y 1 A GLY 18 ? A GLY 18 
# 
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  
CL  CL   CL N N 74  
CYS N    N  N N 75  
CYS CA   C  N R 76  
CYS C    C  N N 77  
CYS O    O  N N 78  
CYS CB   C  N N 79  
CYS SG   S  N N 80  
CYS OXT  O  N N 81  
CYS H    H  N N 82  
CYS H2   H  N N 83  
CYS HA   H  N N 84  
CYS HB2  H  N N 85  
CYS HB3  H  N N 86  
CYS HG   H  N N 87  
CYS HXT  H  N N 88  
GLN N    N  N N 89  
GLN CA   C  N S 90  
GLN C    C  N N 91  
GLN O    O  N N 92  
GLN CB   C  N N 93  
GLN CG   C  N N 94  
GLN CD   C  N N 95  
GLN OE1  O  N N 96  
GLN NE2  N  N N 97  
GLN OXT  O  N N 98  
GLN H    H  N N 99  
GLN H2   H  N N 100 
GLN HA   H  N N 101 
GLN HB2  H  N N 102 
GLN HB3  H  N N 103 
GLN HG2  H  N N 104 
GLN HG3  H  N N 105 
GLN HE21 H  N N 106 
GLN HE22 H  N N 107 
GLN HXT  H  N N 108 
GLU N    N  N N 109 
GLU CA   C  N S 110 
GLU C    C  N N 111 
GLU O    O  N N 112 
GLU CB   C  N N 113 
GLU CG   C  N N 114 
GLU CD   C  N N 115 
GLU OE1  O  N N 116 
GLU OE2  O  N N 117 
GLU OXT  O  N N 118 
GLU H    H  N N 119 
GLU H2   H  N N 120 
GLU HA   H  N N 121 
GLU HB2  H  N N 122 
GLU HB3  H  N N 123 
GLU HG2  H  N N 124 
GLU HG3  H  N N 125 
GLU HE2  H  N N 126 
GLU HXT  H  N N 127 
GLY N    N  N N 128 
GLY CA   C  N N 129 
GLY C    C  N N 130 
GLY O    O  N N 131 
GLY OXT  O  N N 132 
GLY H    H  N N 133 
GLY H2   H  N N 134 
GLY HA2  H  N N 135 
GLY HA3  H  N N 136 
GLY HXT  H  N N 137 
HIS N    N  N N 138 
HIS CA   C  N S 139 
HIS C    C  N N 140 
HIS O    O  N N 141 
HIS CB   C  N N 142 
HIS CG   C  Y N 143 
HIS ND1  N  Y N 144 
HIS CD2  C  Y N 145 
HIS CE1  C  Y N 146 
HIS NE2  N  Y N 147 
HIS OXT  O  N N 148 
HIS H    H  N N 149 
HIS H2   H  N N 150 
HIS HA   H  N N 151 
HIS HB2  H  N N 152 
HIS HB3  H  N N 153 
HIS HD1  H  N N 154 
HIS HD2  H  N N 155 
HIS HE1  H  N N 156 
HIS HE2  H  N N 157 
HIS HXT  H  N N 158 
HOH O    O  N N 159 
HOH H1   H  N N 160 
HOH H2   H  N N 161 
ILE N    N  N N 162 
ILE CA   C  N S 163 
ILE C    C  N N 164 
ILE O    O  N N 165 
ILE CB   C  N S 166 
ILE CG1  C  N N 167 
ILE CG2  C  N N 168 
ILE CD1  C  N N 169 
ILE OXT  O  N N 170 
ILE H    H  N N 171 
ILE H2   H  N N 172 
ILE HA   H  N N 173 
ILE HB   H  N N 174 
ILE HG12 H  N N 175 
ILE HG13 H  N N 176 
ILE HG21 H  N N 177 
ILE HG22 H  N N 178 
ILE HG23 H  N N 179 
ILE HD11 H  N N 180 
ILE HD12 H  N N 181 
ILE HD13 H  N N 182 
ILE HXT  H  N N 183 
LEU N    N  N N 184 
LEU CA   C  N S 185 
LEU C    C  N N 186 
LEU O    O  N N 187 
LEU CB   C  N N 188 
LEU CG   C  N N 189 
LEU CD1  C  N N 190 
LEU CD2  C  N N 191 
LEU OXT  O  N N 192 
LEU H    H  N N 193 
LEU H2   H  N N 194 
LEU HA   H  N N 195 
LEU HB2  H  N N 196 
LEU HB3  H  N N 197 
LEU HG   H  N N 198 
LEU HD11 H  N N 199 
LEU HD12 H  N N 200 
LEU HD13 H  N N 201 
LEU HD21 H  N N 202 
LEU HD22 H  N N 203 
LEU HD23 H  N N 204 
LEU HXT  H  N N 205 
LYS N    N  N N 206 
LYS CA   C  N S 207 
LYS C    C  N N 208 
LYS O    O  N N 209 
LYS CB   C  N N 210 
LYS CG   C  N N 211 
LYS CD   C  N N 212 
LYS CE   C  N N 213 
LYS NZ   N  N N 214 
LYS OXT  O  N N 215 
LYS H    H  N N 216 
LYS H2   H  N N 217 
LYS HA   H  N N 218 
LYS HB2  H  N N 219 
LYS HB3  H  N N 220 
LYS HG2  H  N N 221 
LYS HG3  H  N N 222 
LYS HD2  H  N N 223 
LYS HD3  H  N N 224 
LYS HE2  H  N N 225 
LYS HE3  H  N N 226 
LYS HZ1  H  N N 227 
LYS HZ2  H  N N 228 
LYS HZ3  H  N N 229 
LYS HXT  H  N N 230 
MET N    N  N N 231 
MET CA   C  N S 232 
MET C    C  N N 233 
MET O    O  N N 234 
MET CB   C  N N 235 
MET CG   C  N N 236 
MET SD   S  N N 237 
MET CE   C  N N 238 
MET OXT  O  N N 239 
MET H    H  N N 240 
MET H2   H  N N 241 
MET HA   H  N N 242 
MET HB2  H  N N 243 
MET HB3  H  N N 244 
MET HG2  H  N N 245 
MET HG3  H  N N 246 
MET HE1  H  N N 247 
MET HE2  H  N N 248 
MET HE3  H  N N 249 
MET HXT  H  N N 250 
NA  NA   NA N N 251 
PHE N    N  N N 252 
PHE CA   C  N S 253 
PHE C    C  N N 254 
PHE O    O  N N 255 
PHE CB   C  N N 256 
PHE CG   C  Y N 257 
PHE CD1  C  Y N 258 
PHE CD2  C  Y N 259 
PHE CE1  C  Y N 260 
PHE CE2  C  Y N 261 
PHE CZ   C  Y N 262 
PHE OXT  O  N N 263 
PHE H    H  N N 264 
PHE H2   H  N N 265 
PHE HA   H  N N 266 
PHE HB2  H  N N 267 
PHE HB3  H  N N 268 
PHE HD1  H  N N 269 
PHE HD2  H  N N 270 
PHE HE1  H  N N 271 
PHE HE2  H  N N 272 
PHE HZ   H  N N 273 
PHE HXT  H  N N 274 
PRO N    N  N N 275 
PRO CA   C  N S 276 
PRO C    C  N N 277 
PRO O    O  N N 278 
PRO CB   C  N N 279 
PRO CG   C  N N 280 
PRO CD   C  N N 281 
PRO OXT  O  N N 282 
PRO H    H  N N 283 
PRO HA   H  N N 284 
PRO HB2  H  N N 285 
PRO HB3  H  N N 286 
PRO HG2  H  N N 287 
PRO HG3  H  N N 288 
PRO HD2  H  N N 289 
PRO HD3  H  N N 290 
PRO HXT  H  N N 291 
SER N    N  N N 292 
SER CA   C  N S 293 
SER C    C  N N 294 
SER O    O  N N 295 
SER CB   C  N N 296 
SER OG   O  N N 297 
SER OXT  O  N N 298 
SER H    H  N N 299 
SER H2   H  N N 300 
SER HA   H  N N 301 
SER HB2  H  N N 302 
SER HB3  H  N N 303 
SER HG   H  N N 304 
SER HXT  H  N N 305 
THR N    N  N N 306 
THR CA   C  N S 307 
THR C    C  N N 308 
THR O    O  N N 309 
THR CB   C  N R 310 
THR OG1  O  N N 311 
THR CG2  C  N N 312 
THR OXT  O  N N 313 
THR H    H  N N 314 
THR H2   H  N N 315 
THR HA   H  N N 316 
THR HB   H  N N 317 
THR HG1  H  N N 318 
THR HG21 H  N N 319 
THR HG22 H  N N 320 
THR HG23 H  N N 321 
THR HXT  H  N N 322 
TRP N    N  N N 323 
TRP CA   C  N S 324 
TRP C    C  N N 325 
TRP O    O  N N 326 
TRP CB   C  N N 327 
TRP CG   C  Y N 328 
TRP CD1  C  Y N 329 
TRP CD2  C  Y N 330 
TRP NE1  N  Y N 331 
TRP CE2  C  Y N 332 
TRP CE3  C  Y N 333 
TRP CZ2  C  Y N 334 
TRP CZ3  C  Y N 335 
TRP CH2  C  Y N 336 
TRP OXT  O  N N 337 
TRP H    H  N N 338 
TRP H2   H  N N 339 
TRP HA   H  N N 340 
TRP HB2  H  N N 341 
TRP HB3  H  N N 342 
TRP HD1  H  N N 343 
TRP HE1  H  N N 344 
TRP HE3  H  N N 345 
TRP HZ2  H  N N 346 
TRP HZ3  H  N N 347 
TRP HH2  H  N N 348 
TRP HXT  H  N N 349 
TYR N    N  N N 350 
TYR CA   C  N S 351 
TYR C    C  N N 352 
TYR O    O  N N 353 
TYR CB   C  N N 354 
TYR CG   C  Y N 355 
TYR CD1  C  Y N 356 
TYR CD2  C  Y N 357 
TYR CE1  C  Y N 358 
TYR CE2  C  Y N 359 
TYR CZ   C  Y N 360 
TYR OH   O  N N 361 
TYR OXT  O  N N 362 
TYR H    H  N N 363 
TYR H2   H  N N 364 
TYR HA   H  N N 365 
TYR HB2  H  N N 366 
TYR HB3  H  N N 367 
TYR HD1  H  N N 368 
TYR HD2  H  N N 369 
TYR HE1  H  N N 370 
TYR HE2  H  N N 371 
TYR HH   H  N N 372 
TYR HXT  H  N N 373 
VAL N    N  N N 374 
VAL CA   C  N S 375 
VAL C    C  N N 376 
VAL O    O  N N 377 
VAL CB   C  N N 378 
VAL CG1  C  N N 379 
VAL CG2  C  N N 380 
VAL OXT  O  N N 381 
VAL H    H  N N 382 
VAL H2   H  N N 383 
VAL HA   H  N N 384 
VAL HB   H  N N 385 
VAL HG11 H  N N 386 
VAL HG12 H  N N 387 
VAL HG13 H  N N 388 
VAL HG21 H  N N 389 
VAL HG22 H  N N 390 
VAL HG23 H  N N 391 
VAL HXT  H  N N 392 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TRP N   CA   sing N N 306 
TRP N   H    sing N N 307 
TRP N   H2   sing N N 308 
TRP CA  C    sing N N 309 
TRP CA  CB   sing N N 310 
TRP CA  HA   sing N N 311 
TRP C   O    doub N N 312 
TRP C   OXT  sing N N 313 
TRP CB  CG   sing N N 314 
TRP CB  HB2  sing N N 315 
TRP CB  HB3  sing N N 316 
TRP CG  CD1  doub Y N 317 
TRP CG  CD2  sing Y N 318 
TRP CD1 NE1  sing Y N 319 
TRP CD1 HD1  sing N N 320 
TRP CD2 CE2  doub Y N 321 
TRP CD2 CE3  sing Y N 322 
TRP NE1 CE2  sing Y N 323 
TRP NE1 HE1  sing N N 324 
TRP CE2 CZ2  sing Y N 325 
TRP CE3 CZ3  doub Y N 326 
TRP CE3 HE3  sing N N 327 
TRP CZ2 CH2  doub Y N 328 
TRP CZ2 HZ2  sing N N 329 
TRP CZ3 CH2  sing Y N 330 
TRP CZ3 HZ3  sing N N 331 
TRP CH2 HH2  sing N N 332 
TRP OXT HXT  sing N N 333 
TYR N   CA   sing N N 334 
TYR N   H    sing N N 335 
TYR N   H2   sing N N 336 
TYR CA  C    sing N N 337 
TYR CA  CB   sing N N 338 
TYR CA  HA   sing N N 339 
TYR C   O    doub N N 340 
TYR C   OXT  sing N N 341 
TYR CB  CG   sing N N 342 
TYR CB  HB2  sing N N 343 
TYR CB  HB3  sing N N 344 
TYR CG  CD1  doub Y N 345 
TYR CG  CD2  sing Y N 346 
TYR CD1 CE1  sing Y N 347 
TYR CD1 HD1  sing N N 348 
TYR CD2 CE2  doub Y N 349 
TYR CD2 HD2  sing N N 350 
TYR CE1 CZ   doub Y N 351 
TYR CE1 HE1  sing N N 352 
TYR CE2 CZ   sing Y N 353 
TYR CE2 HE2  sing N N 354 
TYR CZ  OH   sing N N 355 
TYR OH  HH   sing N N 356 
TYR OXT HXT  sing N N 357 
VAL N   CA   sing N N 358 
VAL N   H    sing N N 359 
VAL N   H2   sing N N 360 
VAL CA  C    sing N N 361 
VAL CA  CB   sing N N 362 
VAL CA  HA   sing N N 363 
VAL C   O    doub N N 364 
VAL C   OXT  sing N N 365 
VAL CB  CG1  sing N N 366 
VAL CB  CG2  sing N N 367 
VAL CB  HB   sing N N 368 
VAL CG1 HG11 sing N N 369 
VAL CG1 HG12 sing N N 370 
VAL CG1 HG13 sing N N 371 
VAL CG2 HG21 sing N N 372 
VAL CG2 HG22 sing N N 373 
VAL CG2 HG23 sing N N 374 
VAL OXT HXT  sing N N 375 
# 
_pdbx_audit_support.funding_organization   'National Science Foundation (NSF, United States)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           DBI-2210041 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   7BHN 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9MP3 
_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]   0.012910 
_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]   0.012910 
_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]   0.026118 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
CL 
N  
NA 
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . LYS A 1 19  ? 2.616   9.595  -8.523  1.00 18.21 ? 19  LYS A N   1 
ATOM   2    C  CA  . LYS A 1 19  ? 1.678   9.951  -9.574  1.00 18.80 ? 19  LYS A CA  1 
ATOM   3    C  C   . LYS A 1 19  ? 1.711   11.448 -9.782  1.00 16.92 ? 19  LYS A C   1 
ATOM   4    O  O   . LYS A 1 19  ? 1.699   12.202 -8.815  1.00 16.73 ? 19  LYS A O   1 
ATOM   5    C  CB  . LYS A 1 19  ? 0.268   9.529  -9.162  1.00 19.36 ? 19  LYS A CB  1 
ATOM   6    C  CG  . LYS A 1 19  ? -0.838  10.034 -10.066 1.00 19.17 ? 19  LYS A CG  1 
ATOM   7    C  CD  . LYS A 1 19  ? -2.175  9.468  -9.653  1.00 18.58 ? 19  LYS A CD  1 
ATOM   8    C  CE  . LYS A 1 19  ? -3.310  10.075 -10.463 1.00 20.97 ? 19  LYS A CE  1 
ATOM   9    N  NZ  . LYS A 1 19  ? -4.582  9.346  -10.212 1.00 24.08 ? 19  LYS A NZ  1 
ATOM   10   N  N   . VAL A 1 20  ? 1.746   11.878 -11.036 1.00 16.39 ? 20  VAL A N   1 
ATOM   11   C  CA  . VAL A 1 20  ? 1.622   13.288 -11.379 1.00 16.37 ? 20  VAL A CA  1 
ATOM   12   C  C   . VAL A 1 20  ? 0.192   13.514 -11.849 1.00 20.07 ? 20  VAL A C   1 
ATOM   13   O  O   . VAL A 1 20  ? -0.190  13.073 -12.941 1.00 21.49 ? 20  VAL A O   1 
ATOM   14   C  CB  . VAL A 1 20  ? 2.637   13.714 -12.447 1.00 17.74 ? 20  VAL A CB  1 
ATOM   15   C  CG1 . VAL A 1 20  ? 2.448   15.183 -12.785 1.00 22.47 ? 20  VAL A CG1 1 
ATOM   16   C  CG2 . VAL A 1 20  ? 4.061   13.460 -11.957 1.00 18.84 ? 20  VAL A CG2 1 
ATOM   17   N  N   . PHE A 1 21  ? -0.599  14.197 -11.026 1.00 17.69 ? 21  PHE A N   1 
ATOM   18   C  CA  . PHE A 1 21  ? -1.979  14.484 -11.384 1.00 15.69 ? 21  PHE A CA  1 
ATOM   19   C  C   . PHE A 1 21  ? -2.040  15.519 -12.491 1.00 17.53 ? 21  PHE A C   1 
ATOM   20   O  O   . PHE A 1 21  ? -1.229  16.447 -12.555 1.00 18.35 ? 21  PHE A O   1 
ATOM   21   C  CB  . PHE A 1 21  ? -2.743  15.038 -10.179 1.00 16.29 ? 21  PHE A CB  1 
ATOM   22   C  CG  . PHE A 1 21  ? -3.282  13.991 -9.262  1.00 16.26 ? 21  PHE A CG  1 
ATOM   23   C  CD1 . PHE A 1 21  ? -2.454  13.338 -8.367  1.00 17.92 ? 21  PHE A CD1 1 
ATOM   24   C  CD2 . PHE A 1 21  ? -4.632  13.672 -9.281  1.00 16.31 ? 21  PHE A CD2 1 
ATOM   25   C  CE1 . PHE A 1 21  ? -2.946  12.369 -7.520  1.00 16.27 ? 21  PHE A CE1 1 
ATOM   26   C  CE2 . PHE A 1 21  ? -5.140  12.708 -8.433  1.00 17.68 ? 21  PHE A CE2 1 
ATOM   27   C  CZ  . PHE A 1 21  ? -4.302  12.050 -7.547  1.00 18.23 ? 21  PHE A CZ  1 
ATOM   28   N  N   . GLY A 1 22  ? -3.034  15.363 -13.357 1.00 19.44 ? 22  GLY A N   1 
ATOM   29   C  CA  . GLY A 1 22  ? -3.499  16.489 -14.126 1.00 19.52 ? 22  GLY A CA  1 
ATOM   30   C  C   . GLY A 1 22  ? -4.235  17.476 -13.241 1.00 16.14 ? 22  GLY A C   1 
ATOM   31   O  O   . GLY A 1 22  ? -4.720  17.141 -12.159 1.00 16.19 ? 22  GLY A O   1 
ATOM   32   N  N   . ARG A 1 23  ? -4.308  18.717 -13.717 1.00 17.64 ? 23  ARG A N   1 
ATOM   33   C  CA  . ARG A 1 23  ? -4.886  19.798 -12.928 1.00 18.31 ? 23  ARG A CA  1 
ATOM   34   C  C   . ARG A 1 23  ? -6.342  19.504 -12.561 1.00 17.86 ? 23  ARG A C   1 
ATOM   35   O  O   . ARG A 1 23  ? -6.715  19.508 -11.382 1.00 16.82 ? 23  ARG A O   1 
ATOM   36   C  CB  . ARG A 1 23  ? -4.762  21.099 -13.718 1.00 19.81 ? 23  ARG A CB  1 
ATOM   37   C  CG  . ARG A 1 23  ? -5.407  22.290 -13.078 1.00 18.61 ? 23  ARG A CG  1 
ATOM   38   C  CD  . ARG A 1 23  ? -5.128  23.556 -13.892 1.00 19.09 ? 23  ARG A CD  1 
ATOM   39   N  NE  . ARG A 1 23  ? -5.700  23.493 -15.233 1.00 21.51 ? 23  ARG A NE  1 
ATOM   40   C  CZ  . ARG A 1 23  ? -6.936  23.871 -15.527 1.00 23.38 ? 23  ARG A CZ  1 
ATOM   41   N  NH1 . ARG A 1 23  ? -7.767  24.293 -14.590 1.00 20.30 ? 23  ARG A NH1 1 
ATOM   42   N  NH2 . ARG A 1 23  ? -7.348  23.820 -16.791 1.00 27.29 ? 23  ARG A NH2 1 
ATOM   43   N  N   . CYS A 1 24  ? -7.187  19.243 -13.563 1.00 18.83 ? 24  CYS A N   1 
ATOM   44   C  CA  . CYS A 1 24  ? -8.591  18.959 -13.273 1.00 21.28 ? 24  CYS A CA  1 
ATOM   45   C  C   . CYS A 1 24  ? -8.766  17.631 -12.553 1.00 18.80 ? 24  CYS A C   1 
ATOM   46   O  O   . CYS A 1 24  ? -9.689  17.480 -11.744 1.00 17.82 ? 24  CYS A O   1 
ATOM   47   C  CB  . CYS A 1 24  ? -9.406  18.963 -14.562 1.00 23.24 ? 24  CYS A CB  1 
ATOM   48   S  SG  . CYS A 1 24  ? -9.507  20.578 -15.329 1.00 22.96 ? 24  CYS A SG  1 
ATOM   49   N  N   . GLU A 1 25  ? -7.902  16.658 -12.837 1.00 17.22 ? 25  GLU A N   1 
ATOM   50   C  CA  . GLU A 1 25  ? -7.942  15.400 -12.108 1.00 19.08 ? 25  GLU A CA  1 
ATOM   51   C  C   . GLU A 1 25  ? -7.754  15.633 -10.616 1.00 15.74 ? 25  GLU A C   1 
ATOM   52   O  O   . GLU A 1 25  ? -8.488  15.083 -9.787  1.00 17.67 ? 25  GLU A O   1 
ATOM   53   C  CB  . GLU A 1 25  ? -6.860  14.466 -12.647 1.00 19.89 ? 25  GLU A CB  1 
ATOM   54   C  CG  . GLU A 1 25  ? -6.888  13.067 -12.069 1.00 20.75 ? 25  GLU A CG  1 
ATOM   55   C  CD  . GLU A 1 25  ? -5.716  12.239 -12.554 1.00 21.56 ? 25  GLU A CD  1 
ATOM   56   O  OE1 . GLU A 1 25  ? -4.761  12.839 -13.096 1.00 23.51 ? 25  GLU A OE1 1 
ATOM   57   O  OE2 . GLU A 1 25  ? -5.751  11.002 -12.395 1.00 24.99 ? 25  GLU A OE2 1 
ATOM   58   N  N   . LEU A 1 26  ? -6.757  16.447 -10.255 1.00 17.03 ? 26  LEU A N   1 
ATOM   59   C  CA  . LEU A 1 26  ? -6.513  16.721 -8.845  1.00 15.98 ? 26  LEU A CA  1 
ATOM   60   C  C   . LEU A 1 26  ? -7.653  17.527 -8.239  1.00 13.54 ? 26  LEU A C   1 
ATOM   61   O  O   . LEU A 1 26  ? -8.076  17.261 -7.110  1.00 15.36 ? 26  LEU A O   1 
ATOM   62   C  CB  . LEU A 1 26  ? -5.174  17.440 -8.686  1.00 15.66 ? 26  LEU A CB  1 
ATOM   63   C  CG  . LEU A 1 26  ? -4.850  17.750 -7.233  1.00 14.17 ? 26  LEU A CG  1 
ATOM   64   C  CD1 . LEU A 1 26  ? -4.686  16.476 -6.430  1.00 15.80 ? 26  LEU A CD1 1 
ATOM   65   C  CD2 . LEU A 1 26  ? -3.599  18.597 -7.175  1.00 15.66 ? 26  LEU A CD2 1 
ATOM   66   N  N   . ALA A 1 27  ? -8.158  18.514 -8.981  1.00 15.57 ? 27  ALA A N   1 
ATOM   67   C  CA  . ALA A 1 27  ? -9.312  19.277 -8.523  1.00 14.54 ? 27  ALA A CA  1 
ATOM   68   C  C   . ALA A 1 27  ? -10.475 18.355 -8.182  1.00 16.55 ? 27  ALA A C   1 
ATOM   69   O  O   . ALA A 1 27  ? -11.098 18.486 -7.126  1.00 15.88 ? 27  ALA A O   1 
ATOM   70   C  CB  . ALA A 1 27  ? -9.731  20.276 -9.600  1.00 15.66 ? 27  ALA A CB  1 
ATOM   71   N  N   . ALA A 1 28  ? -10.758 17.386 -9.060  1.00 15.58 ? 28  ALA A N   1 
ATOM   72   C  CA  . ALA A 1 28  ? -11.861 16.459 -8.813  1.00 17.31 ? 28  ALA A CA  1 
ATOM   73   C  C   . ALA A 1 28  ? -11.592 15.588 -7.595  1.00 17.84 ? 28  ALA A C   1 
ATOM   74   O  O   . ALA A 1 28  ? -12.498 15.334 -6.792  1.00 17.27 ? 28  ALA A O   1 
ATOM   75   C  CB  . ALA A 1 28  ? -12.116 15.600 -10.052 1.00 19.95 ? 28  ALA A CB  1 
ATOM   76   N  N   . ALA A 1 29  ? -10.356 15.108 -7.442  1.00 15.15 ? 29  ALA A N   1 
ATOM   77   C  CA  . ALA A 1 29  ? -10.038 14.266 -6.295  1.00 15.92 ? 29  ALA A CA  1 
ATOM   78   C  C   . ALA A 1 29  ? -10.126 15.057 -4.996  1.00 15.63 ? 29  ALA A C   1 
ATOM   79   O  O   . ALA A 1 29  ? -10.663 14.564 -3.998  1.00 17.14 ? 29  ALA A O   1 
ATOM   80   C  CB  . ALA A 1 29  ? -8.647  13.651 -6.464  1.00 16.70 ? 29  ALA A CB  1 
ATOM   81   N  N   . MET A 1 30  ? -9.611  16.291 -4.997  1.00 15.26 ? 30  MET A N   1 
ATOM   82   C  CA  . MET A 1 30  ? -9.702  17.124 -3.802  1.00 14.53 ? 30  MET A CA  1 
ATOM   83   C  C   . MET A 1 30  ? -11.150 17.425 -3.445  1.00 14.70 ? 30  MET A C   1 
ATOM   84   O  O   . MET A 1 30  ? -11.519 17.401 -2.266  1.00 16.11 ? 30  MET A O   1 
ATOM   85   C  CB  . MET A 1 30  ? -8.932  18.421 -4.021  1.00 14.39 ? 30  MET A CB  1 
ATOM   86   C  CG  . MET A 1 30  ? -7.426  18.218 -4.090  1.00 14.16 ? 30  MET A CG  1 
ATOM   87   S  SD  . MET A 1 30  ? -6.617  19.792 -4.393  1.00 14.31 ? 30  MET A SD  1 
ATOM   88   C  CE  . MET A 1 30  ? -4.994  19.512 -3.672  1.00 16.29 ? 30  MET A CE  1 
ATOM   89   N  N   . LYS A 1 31  ? -11.974 17.740 -4.449  1.00 15.90 ? 31  LYS A N   1 
ATOM   90   C  CA  . LYS A 1 31  ? -13.390 17.989 -4.206  1.00 16.68 ? 31  LYS A CA  1 
ATOM   91   C  C   . LYS A 1 31  ? -14.068 16.759 -3.621  1.00 18.43 ? 31  LYS A C   1 
ATOM   92   O  O   . LYS A 1 31  ? -14.829 16.857 -2.650  1.00 17.95 ? 31  LYS A O   1 
ATOM   93   C  CB  . LYS A 1 31  ? -14.063 18.397 -5.512  1.00 17.46 ? 31  LYS A CB  1 
ATOM   94   C  CG  . LYS A 1 31  ? -15.535 18.769 -5.350  1.00 20.34 ? 31  LYS A CG  1 
ATOM   95   C  CD  . LYS A 1 31  ? -16.098 19.340 -6.633  1.00 20.89 ? 31  LYS A CD  1 
ATOM   96   C  CE  . LYS A 1 31  ? -17.526 19.832 -6.429  1.00 26.33 ? 31  LYS A CE  1 
ATOM   97   N  NZ  . LYS A 1 31  ? -18.030 20.539 -7.633  1.00 30.74 ? 31  LYS A NZ  1 
ATOM   98   N  N   . ARG A 1 32  ? -13.801 15.585 -4.198  1.00 15.68 ? 32  ARG A N   1 
ATOM   99   C  CA  . ARG A 1 32  ? -14.432 14.370 -3.701  1.00 17.26 ? 32  ARG A CA  1 
ATOM   100  C  C   . ARG A 1 32  ? -14.075 14.122 -2.244  1.00 20.32 ? 32  ARG A C   1 
ATOM   101  O  O   . ARG A 1 32  ? -14.909 13.642 -1.468  1.00 21.03 ? 32  ARG A O   1 
ATOM   102  C  CB  . ARG A 1 32  ? -14.027 13.185 -4.568  1.00 21.37 ? 32  ARG A CB  1 
ATOM   103  C  CG  . ARG A 1 32  ? -14.644 11.881 -4.123  1.00 19.30 ? 32  ARG A CG  1 
ATOM   104  C  CD  . ARG A 1 32  ? -14.560 10.845 -5.212  1.00 23.33 ? 32  ARG A CD  1 
ATOM   105  N  NE  . ARG A 1 32  ? -13.186 10.673 -5.668  1.00 19.74 ? 32  ARG A NE  1 
ATOM   106  C  CZ  . ARG A 1 32  ? -12.290 9.912  -5.058  1.00 23.01 ? 32  ARG A CZ  1 
ATOM   107  N  NH1 . ARG A 1 32  ? -12.589 9.241  -3.957  1.00 23.63 ? 32  ARG A NH1 1 
ATOM   108  N  NH2 . ARG A 1 32  ? -11.061 9.830  -5.559  1.00 23.29 ? 32  ARG A NH2 1 
ATOM   109  N  N   . HIS A 1 33  ? -12.847 14.462 -1.846  1.00 16.07 ? 33  HIS A N   1 
ATOM   110  C  CA  . HIS A 1 33  ? -12.395 14.279 -0.473  1.00 17.24 ? 33  HIS A CA  1 
ATOM   111  C  C   . HIS A 1 33  ? -12.741 15.454 0.443   1.00 18.48 ? 33  HIS A C   1 
ATOM   112  O  O   . HIS A 1 33  ? -12.189 15.546 1.544   1.00 19.78 ? 33  HIS A O   1 
ATOM   113  C  CB  . HIS A 1 33  ? -10.892 13.985 -0.435  1.00 17.27 ? 33  HIS A CB  1 
ATOM   114  C  CG  . HIS A 1 33  ? -10.536 12.638 -0.977  1.00 18.18 ? 33  HIS A CG  1 
ATOM   115  N  ND1 . HIS A 1 33  ? -10.815 11.472 -0.300  1.00 27.15 ? 33  HIS A ND1 1 
ATOM   116  C  CD2 . HIS A 1 33  ? -9.947  12.271 -2.139  1.00 19.47 ? 33  HIS A CD2 1 
ATOM   117  C  CE1 . HIS A 1 33  ? -10.398 10.441 -1.014  1.00 24.54 ? 33  HIS A CE1 1 
ATOM   118  N  NE2 . HIS A 1 33  ? -9.861  10.898 -2.130  1.00 20.94 ? 33  HIS A NE2 1 
ATOM   119  N  N   . GLY A 1 34  ? -13.637 16.339 0.021   1.00 16.72 ? 34  GLY A N   1 
ATOM   120  C  CA  . GLY A 1 34  ? -14.153 17.369 0.903   1.00 16.86 ? 34  GLY A CA  1 
ATOM   121  C  C   . GLY A 1 34  ? -13.245 18.550 1.154   1.00 19.01 ? 34  GLY A C   1 
ATOM   122  O  O   . GLY A 1 34  ? -13.457 19.276 2.127   1.00 19.50 ? 34  GLY A O   1 
ATOM   123  N  N   A LEU A 1 35  ? -12.238 18.767 0.305   0.45 17.69 ? 35  LEU A N   1 
ATOM   124  N  N   B LEU A 1 35  ? -12.242 18.767 0.303   0.55 17.68 ? 35  LEU A N   1 
ATOM   125  C  CA  A LEU A 1 35  ? -11.322 19.888 0.498   0.45 16.82 ? 35  LEU A CA  1 
ATOM   126  C  CA  B LEU A 1 35  ? -11.309 19.868 0.505   0.55 16.81 ? 35  LEU A CA  1 
ATOM   127  C  C   A LEU A 1 35  ? -11.892 21.199 -0.013  0.45 18.46 ? 35  LEU A C   1 
ATOM   128  C  C   B LEU A 1 35  ? -11.815 21.186 -0.074  0.55 18.48 ? 35  LEU A C   1 
ATOM   129  O  O   A LEU A 1 35  ? -11.527 22.269 0.490   0.45 17.71 ? 35  LEU A O   1 
ATOM   130  O  O   B LEU A 1 35  ? -11.357 22.252 0.354   0.55 17.63 ? 35  LEU A O   1 
ATOM   131  C  CB  A LEU A 1 35  ? -10.009 19.626 -0.235  0.45 19.12 ? 35  LEU A CB  1 
ATOM   132  C  CB  B LEU A 1 35  ? -9.939  19.497 -0.081  0.55 18.81 ? 35  LEU A CB  1 
ATOM   133  C  CG  A LEU A 1 35  ? -8.835  19.214 0.637   0.45 16.56 ? 35  LEU A CG  1 
ATOM   134  C  CG  B LEU A 1 35  ? -8.693  20.256 0.377   0.55 14.34 ? 35  LEU A CG  1 
ATOM   135  C  CD1 A LEU A 1 35  ? -7.560  19.267 -0.177  0.45 17.35 ? 35  LEU A CD1 1 
ATOM   136  C  CD1 B LEU A 1 35  ? -8.461  20.063 1.868   0.55 16.42 ? 35  LEU A CD1 1 
ATOM   137  C  CD2 A LEU A 1 35  ? -8.730  20.099 1.867   0.45 16.56 ? 35  LEU A CD2 1 
ATOM   138  C  CD2 B LEU A 1 35  ? -7.492  19.800 -0.428  0.55 14.99 ? 35  LEU A CD2 1 
ATOM   139  N  N   . ASP A 1 36  ? -12.750 21.147 -1.023  1.00 20.49 ? 36  ASP A N   1 
ATOM   140  C  CA  . ASP A 1 36  ? -13.261 22.370 -1.617  1.00 20.65 ? 36  ASP A CA  1 
ATOM   141  C  C   . ASP A 1 36  ? -14.092 23.131 -0.594  1.00 22.20 ? 36  ASP A C   1 
ATOM   142  O  O   . ASP A 1 36  ? -15.046 22.590 -0.022  1.00 23.75 ? 36  ASP A O   1 
ATOM   143  C  CB  . ASP A 1 36  ? -14.061 22.061 -2.879  1.00 21.63 ? 36  ASP A CB  1 
ATOM   144  C  CG  . ASP A 1 36  ? -15.201 21.083 -2.639  1.00 22.38 ? 36  ASP A CG  1 
ATOM   145  O  OD1 . ASP A 1 36  ? -14.997 20.013 -2.009  1.00 20.80 ? 36  ASP A OD1 1 
ATOM   146  O  OD2 . ASP A 1 36  ? -16.316 21.392 -3.103  1.00 26.83 ? 36  ASP A OD2 1 
ATOM   147  N  N   . ASN A 1 37  ? -13.697 24.378 -0.336  1.00 19.95 ? 37  ASN A N   1 
ATOM   148  C  CA  . ASN A 1 37  ? -14.308 25.266 0.646   1.00 17.54 ? 37  ASN A CA  1 
ATOM   149  C  C   . ASN A 1 37  ? -14.010 24.862 2.085   1.00 15.95 ? 37  ASN A C   1 
ATOM   150  O  O   . ASN A 1 37  ? -14.606 25.419 3.011   1.00 17.32 ? 37  ASN A O   1 
ATOM   151  C  CB  . ASN A 1 37  ? -15.811 25.446 0.406   1.00 19.65 ? 37  ASN A CB  1 
ATOM   152  C  CG  . ASN A 1 37  ? -16.123 25.735 -1.043  1.00 28.61 ? 37  ASN A CG  1 
ATOM   153  O  OD1 . ASN A 1 37  ? -15.445 26.539 -1.681  1.00 26.96 ? 37  ASN A OD1 1 
ATOM   154  N  ND2 . ASN A 1 37  ? -17.133 25.058 -1.584  1.00 28.22 ? 37  ASN A ND2 1 
ATOM   155  N  N   . TYR A 1 38  ? -13.093 23.920 2.306   1.00 15.05 ? 38  TYR A N   1 
ATOM   156  C  CA  . TYR A 1 38  ? -12.760 23.519 3.665   1.00 17.22 ? 38  TYR A CA  1 
ATOM   157  C  C   . TYR A 1 38  ? -12.049 24.668 4.368   1.00 15.97 ? 38  TYR A C   1 
ATOM   158  O  O   . TYR A 1 38  ? -11.127 25.279 3.814   1.00 14.00 ? 38  TYR A O   1 
ATOM   159  C  CB  . TYR A 1 38  ? -11.887 22.258 3.663   1.00 14.61 ? 38  TYR A CB  1 
ATOM   160  C  CG  . TYR A 1 38  ? -11.699 21.662 5.043   1.00 15.62 ? 38  TYR A CG  1 
ATOM   161  C  CD1 . TYR A 1 38  ? -10.646 22.060 5.854   1.00 15.94 ? 38  TYR A CD1 1 
ATOM   162  C  CD2 . TYR A 1 38  ? -12.589 20.709 5.544   1.00 16.89 ? 38  TYR A CD2 1 
ATOM   163  C  CE1 . TYR A 1 38  ? -10.480 21.532 7.116   1.00 17.34 ? 38  TYR A CE1 1 
ATOM   164  C  CE2 . TYR A 1 38  ? -12.418 20.175 6.805   1.00 16.49 ? 38  TYR A CE2 1 
ATOM   165  C  CZ  . TYR A 1 38  ? -11.362 20.591 7.582   1.00 18.17 ? 38  TYR A CZ  1 
ATOM   166  O  OH  . TYR A 1 38  ? -11.188 20.078 8.842   1.00 22.78 ? 38  TYR A OH  1 
ATOM   167  N  N   . ARG A 1 39  ? -12.486 24.962 5.592   1.00 16.01 ? 39  ARG A N   1 
ATOM   168  C  CA  . ARG A 1 39  ? -12.015 26.132 6.334   1.00 16.15 ? 39  ARG A CA  1 
ATOM   169  C  C   . ARG A 1 39  ? -12.125 27.414 5.514   1.00 15.85 ? 39  ARG A C   1 
ATOM   170  O  O   . ARG A 1 39  ? -11.368 28.358 5.718   1.00 15.91 ? 39  ARG A O   1 
ATOM   171  C  CB  . ARG A 1 39  ? -10.612 25.930 6.912   1.00 18.58 ? 39  ARG A CB  1 
ATOM   172  C  CG  . ARG A 1 39  ? -10.596 25.000 8.114   1.00 20.84 ? 39  ARG A CG  1 
ATOM   173  C  CD  . ARG A 1 39  ? -10.784 25.751 9.428   1.00 23.41 ? 39  ARG A CD  1 
ATOM   174  N  NE  . ARG A 1 39  ? -11.158 24.825 10.493  1.00 34.85 ? 39  ARG A NE  1 
ATOM   175  C  CZ  . ARG A 1 39  ? -11.003 25.056 11.790  1.00 32.34 ? 39  ARG A CZ  1 
ATOM   176  N  NH1 . ARG A 1 39  ? -10.463 26.180 12.233  1.00 34.70 ? 39  ARG A NH1 1 
ATOM   177  N  NH2 . ARG A 1 39  ? -11.393 24.130 12.665  1.00 35.57 ? 39  ARG A NH2 1 
ATOM   178  N  N   . GLY A 1 40  ? -13.073 27.459 4.584   1.00 14.01 ? 40  GLY A N   1 
ATOM   179  C  CA  . GLY A 1 40  ? -13.297 28.658 3.802   1.00 14.28 ? 40  GLY A CA  1 
ATOM   180  C  C   . GLY A 1 40  ? -12.408 28.808 2.592   1.00 16.13 ? 40  GLY A C   1 
ATOM   181  O  O   . GLY A 1 40  ? -12.466 29.841 1.922   1.00 15.16 ? 40  GLY A O   1 
ATOM   182  N  N   . TYR A 1 41  ? -11.592 27.812 2.279   1.00 13.90 ? 41  TYR A N   1 
ATOM   183  C  CA  . TYR A 1 41  ? -10.663 27.906 1.158   1.00 14.15 ? 41  TYR A CA  1 
ATOM   184  C  C   . TYR A 1 41  ? -11.234 27.198 -0.062  1.00 13.70 ? 41  TYR A C   1 
ATOM   185  O  O   . TYR A 1 41  ? -11.391 25.972 -0.060  1.00 13.84 ? 41  TYR A O   1 
ATOM   186  C  CB  . TYR A 1 41  ? -9.288  27.358 1.520   1.00 13.62 ? 41  TYR A CB  1 
ATOM   187  C  CG  . TYR A 1 41  ? -8.582  28.252 2.488   1.00 12.28 ? 41  TYR A CG  1 
ATOM   188  C  CD1 . TYR A 1 41  ? -7.804  29.307 2.035   1.00 12.50 ? 41  TYR A CD1 1 
ATOM   189  C  CD2 . TYR A 1 41  ? -8.685  28.039 3.853   1.00 13.89 ? 41  TYR A CD2 1 
ATOM   190  C  CE1 . TYR A 1 41  ? -7.150  30.138 2.924   1.00 12.55 ? 41  TYR A CE1 1 
ATOM   191  C  CE2 . TYR A 1 41  ? -8.036  28.866 4.754   1.00 13.34 ? 41  TYR A CE2 1 
ATOM   192  C  CZ  . TYR A 1 41  ? -7.265  29.916 4.276   1.00 12.19 ? 41  TYR A CZ  1 
ATOM   193  O  OH  . TYR A 1 41  ? -6.596  30.747 5.146   1.00 14.16 ? 41  TYR A OH  1 
ATOM   194  N  N   . SER A 1 42  ? -11.498 27.964 -1.111  1.00 15.24 ? 42  SER A N   1 
ATOM   195  C  CA  . SER A 1 42  ? -12.067 27.414 -2.326  1.00 14.51 ? 42  SER A CA  1 
ATOM   196  C  C   . SER A 1 42  ? -11.100 26.444 -2.989  1.00 15.18 ? 42  SER A C   1 
ATOM   197  O  O   . SER A 1 42  ? -9.891  26.460 -2.750  1.00 14.68 ? 42  SER A O   1 
ATOM   198  C  CB  . SER A 1 42  ? -12.397 28.525 -3.315  1.00 16.55 ? 42  SER A CB  1 
ATOM   199  O  OG  . SER A 1 42  ? -11.218 29.203 -3.703  1.00 17.19 ? 42  SER A OG  1 
ATOM   200  N  N   . LEU A 1 43  ? -11.662 25.614 -3.868  1.00 14.24 ? 43  LEU A N   1 
ATOM   201  C  CA  . LEU A 1 43  ? -10.903 24.545 -4.502  1.00 15.11 ? 43  LEU A CA  1 
ATOM   202  C  C   . LEU A 1 43  ? -9.682  25.079 -5.245  1.00 14.77 ? 43  LEU A C   1 
ATOM   203  O  O   . LEU A 1 43  ? -8.620  24.440 -5.242  1.00 14.04 ? 43  LEU A O   1 
ATOM   204  C  CB  . LEU A 1 43  ? -11.830 23.787 -5.446  1.00 15.49 ? 43  LEU A CB  1 
ATOM   205  C  CG  . LEU A 1 43  ? -11.254 22.529 -6.074  1.00 15.63 ? 43  LEU A CG  1 
ATOM   206  C  CD1 . LEU A 1 43  ? -10.695 21.590 -5.020  1.00 17.66 ? 43  LEU A CD1 1 
ATOM   207  C  CD2 . LEU A 1 43  ? -12.351 21.854 -6.864  1.00 14.95 ? 43  LEU A CD2 1 
ATOM   208  N  N   . GLY A 1 44  ? -9.810  26.233 -5.900  1.00 14.50 ? 44  GLY A N   1 
ATOM   209  C  CA  . GLY A 1 44  ? -8.680  26.793 -6.623  1.00 14.63 ? 44  GLY A CA  1 
ATOM   210  C  C   . GLY A 1 44  ? -7.488  27.093 -5.735  1.00 13.84 ? 44  GLY A C   1 
ATOM   211  O  O   . GLY A 1 44  ? -6.333  26.993 -6.179  1.00 13.64 ? 44  GLY A O   1 
ATOM   212  N  N   . ASN A 1 45  ? -7.742  27.474 -4.479  1.00 13.75 ? 45  ASN A N   1 
ATOM   213  C  CA  . ASN A 1 45  ? -6.647  27.694 -3.533  1.00 14.33 ? 45  ASN A CA  1 
ATOM   214  C  C   . ASN A 1 45  ? -5.862  26.415 -3.291  1.00 12.70 ? 45  ASN A C   1 
ATOM   215  O  O   . ASN A 1 45  ? -4.625  26.438 -3.223  1.00 13.14 ? 45  ASN A O   1 
ATOM   216  C  CB  . ASN A 1 45  ? -7.199  28.191 -2.204  1.00 14.54 ? 45  ASN A CB  1 
ATOM   217  C  CG  . ASN A 1 45  ? -7.478  29.661 -2.218  1.00 13.31 ? 45  ASN A CG  1 
ATOM   218  O  OD1 . ASN A 1 45  ? -6.565  30.483 -2.168  1.00 13.96 ? 45  ASN A OD1 1 
ATOM   219  N  ND2 . ASN A 1 45  ? -8.753  30.013 -2.283  1.00 16.21 ? 45  ASN A ND2 1 
ATOM   220  N  N   . TRP A 1 46  ? -6.569  25.287 -3.146  1.00 14.14 ? 46  TRP A N   1 
ATOM   221  C  CA  . TRP A 1 46  ? -5.913  24.009 -2.891  1.00 12.60 ? 46  TRP A CA  1 
ATOM   222  C  C   . TRP A 1 46  ? -5.161  23.518 -4.118  1.00 12.73 ? 46  TRP A C   1 
ATOM   223  O  O   . TRP A 1 46  ? -4.059  22.966 -3.996  1.00 13.76 ? 46  TRP A O   1 
ATOM   224  C  CB  . TRP A 1 46  ? -6.956  22.983 -2.450  1.00 13.57 ? 46  TRP A CB  1 
ATOM   225  C  CG  . TRP A 1 46  ? -7.563  23.334 -1.140  1.00 14.05 ? 46  TRP A CG  1 
ATOM   226  C  CD1 . TRP A 1 46  ? -8.811  23.863 -0.913  1.00 13.37 ? 46  TRP A CD1 1 
ATOM   227  C  CD2 . TRP A 1 46  ? -6.948  23.195 0.143   1.00 14.33 ? 46  TRP A CD2 1 
ATOM   228  N  NE1 . TRP A 1 46  ? -8.999  24.061 0.430   1.00 13.30 ? 46  TRP A NE1 1 
ATOM   229  C  CE2 . TRP A 1 46  ? -7.878  23.650 1.103   1.00 14.48 ? 46  TRP A CE2 1 
ATOM   230  C  CE3 . TRP A 1 46  ? -5.699  22.721 0.573   1.00 14.41 ? 46  TRP A CE3 1 
ATOM   231  C  CZ2 . TRP A 1 46  ? -7.600  23.650 2.461   1.00 16.42 ? 46  TRP A CZ2 1 
ATOM   232  C  CZ3 . TRP A 1 46  ? -5.426  22.721 1.916   1.00 15.47 ? 46  TRP A CZ3 1 
ATOM   233  C  CH2 . TRP A 1 46  ? -6.370  23.185 2.850   1.00 18.63 ? 46  TRP A CH2 1 
ATOM   234  N  N   . VAL A 1 47  ? -5.747  23.678 -5.307  1.00 13.97 ? 47  VAL A N   1 
ATOM   235  C  CA  . VAL A 1 47  ? -5.069  23.265 -6.529  1.00 14.68 ? 47  VAL A CA  1 
ATOM   236  C  C   . VAL A 1 47  ? -3.826  24.114 -6.754  1.00 13.93 ? 47  VAL A C   1 
ATOM   237  O  O   . VAL A 1 47  ? -2.764  23.596 -7.113  1.00 13.85 ? 47  VAL A O   1 
ATOM   238  C  CB  . VAL A 1 47  ? -6.036  23.291 -7.732  1.00 13.68 ? 47  VAL A CB  1 
ATOM   239  C  CG1 . VAL A 1 47  ? -5.303  22.952 -9.023  1.00 14.60 ? 47  VAL A CG1 1 
ATOM   240  C  CG2 . VAL A 1 47  ? -7.178  22.301 -7.520  1.00 16.22 ? 47  VAL A CG2 1 
ATOM   241  N  N   . CYS A 1 48  ? -3.932  25.426 -6.527  1.00 14.13 ? 48  CYS A N   1 
ATOM   242  C  CA  . CYS A 1 48  ? -2.778  26.309 -6.652  1.00 11.97 ? 48  CYS A CA  1 
ATOM   243  C  C   . CYS A 1 48  ? -1.687  25.938 -5.653  1.00 13.12 ? 48  CYS A C   1 
ATOM   244  O  O   . CYS A 1 48  ? -0.500  25.886 -6.003  1.00 12.93 ? 48  CYS A O   1 
ATOM   245  C  CB  . CYS A 1 48  ? -3.237  27.756 -6.468  1.00 13.90 ? 48  CYS A CB  1 
ATOM   246  S  SG  . CYS A 1 48  ? -1.957  28.994 -6.692  1.00 13.84 ? 48  CYS A SG  1 
ATOM   247  N  N   . ALA A 1 49  ? -2.071  25.670 -4.406  1.00 12.76 ? 49  ALA A N   1 
ATOM   248  C  CA  . ALA A 1 49  ? -1.089  25.246 -3.414  1.00 13.90 ? 49  ALA A CA  1 
ATOM   249  C  C   . ALA A 1 49  ? -0.363  23.991 -3.868  1.00 12.14 ? 49  ALA A C   1 
ATOM   250  O  O   . ALA A 1 49  ? 0.869   23.922 -3.808  1.00 13.36 ? 49  ALA A O   1 
ATOM   251  C  CB  . ALA A 1 49  ? -1.757  25.022 -2.062  1.00 14.59 ? 49  ALA A CB  1 
ATOM   252  N  N   . ALA A 1 50  ? -1.108  22.990 -4.336  1.00 12.98 ? 50  ALA A N   1 
ATOM   253  C  CA  . ALA A 1 50  ? -0.476  21.758 -4.789  1.00 11.72 ? 50  ALA A CA  1 
ATOM   254  C  C   . ALA A 1 50  ? 0.414   22.011 -5.998  1.00 11.63 ? 50  ALA A C   1 
ATOM   255  O  O   . ALA A 1 50  ? 1.496   21.418 -6.115  1.00 12.69 ? 50  ALA A O   1 
ATOM   256  C  CB  . ALA A 1 50  ? -1.551  20.719 -5.104  1.00 13.69 ? 50  ALA A CB  1 
ATOM   257  N  N   . LYS A 1 51  ? -0.008  22.907 -6.895  1.00 14.36 ? 51  LYS A N   1 
ATOM   258  C  CA  . LYS A 1 51  ? 0.798   23.219 -8.069  1.00 13.85 ? 51  LYS A CA  1 
ATOM   259  C  C   . LYS A 1 51  ? 2.183   23.695 -7.660  1.00 13.44 ? 51  LYS A C   1 
ATOM   260  O  O   . LYS A 1 51  ? 3.199   23.181 -8.137  1.00 13.49 ? 51  LYS A O   1 
ATOM   261  C  CB  . LYS A 1 51  ? 0.101   24.286 -8.912  1.00 15.68 ? 51  LYS A CB  1 
ATOM   262  C  CG  . LYS A 1 51  ? 0.984   24.893 -9.984  1.00 17.05 ? 51  LYS A CG  1 
ATOM   263  C  CD  . LYS A 1 51  ? 1.345   23.873 -11.039 1.00 18.84 ? 51  LYS A CD  1 
ATOM   264  C  CE  . LYS A 1 51  ? 2.180   24.499 -12.140 1.00 22.14 ? 51  LYS A CE  1 
ATOM   265  N  NZ  . LYS A 1 51  ? 2.524   23.489 -13.180 1.00 25.73 ? 51  LYS A NZ  1 
ATOM   266  N  N   . PHE A 1 52  ? 2.242   24.654 -6.747  1.00 13.67 ? 52  PHE A N   1 
ATOM   267  C  CA  . PHE A 1 52  ? 3.523   25.249 -6.408  1.00 13.56 ? 52  PHE A CA  1 
ATOM   268  C  C   . PHE A 1 52  ? 4.251   24.519 -5.294  1.00 15.02 ? 52  PHE A C   1 
ATOM   269  O  O   . PHE A 1 52  ? 5.466   24.674 -5.172  1.00 15.88 ? 52  PHE A O   1 
ATOM   270  C  CB  . PHE A 1 52  ? 3.365   26.748 -6.158  1.00 13.54 ? 52  PHE A CB  1 
ATOM   271  C  CG  . PHE A 1 52  ? 2.908   27.494 -7.374  1.00 12.98 ? 52  PHE A CG  1 
ATOM   272  C  CD1 . PHE A 1 52  ? 3.644   27.446 -8.545  1.00 13.72 ? 52  PHE A CD1 1 
ATOM   273  C  CD2 . PHE A 1 52  ? 1.731   28.215 -7.358  1.00 16.70 ? 52  PHE A CD2 1 
ATOM   274  C  CE1 . PHE A 1 52  ? 3.236   28.119 -9.674  1.00 18.16 ? 52  PHE A CE1 1 
ATOM   275  C  CE2 . PHE A 1 52  ? 1.301   28.897 -8.488  1.00 19.01 ? 52  PHE A CE2 1 
ATOM   276  C  CZ  . PHE A 1 52  ? 2.052   28.850 -9.654  1.00 16.97 ? 52  PHE A CZ  1 
ATOM   277  N  N   . GLU A 1 53  ? 3.559   23.697 -4.510  1.00 13.49 ? 53  GLU A N   1 
ATOM   278  C  CA  . GLU A 1 53  ? 4.263   22.879 -3.531  1.00 14.18 ? 53  GLU A CA  1 
ATOM   279  C  C   . GLU A 1 53  ? 4.930   21.678 -4.187  1.00 14.46 ? 53  GLU A C   1 
ATOM   280  O  O   . GLU A 1 53  ? 6.067   21.334 -3.854  1.00 15.01 ? 53  GLU A O   1 
ATOM   281  C  CB  . GLU A 1 53  ? 3.312   22.407 -2.430  1.00 14.49 ? 53  GLU A CB  1 
ATOM   282  C  CG  . GLU A 1 53  ? 2.846   23.495 -1.477  1.00 13.70 ? 53  GLU A CG  1 
ATOM   283  C  CD  . GLU A 1 53  ? 3.964   24.061 -0.629  1.00 15.43 ? 53  GLU A CD  1 
ATOM   284  O  OE1 . GLU A 1 53  ? 5.077   23.483 -0.631  1.00 16.28 ? 53  GLU A OE1 1 
ATOM   285  O  OE2 . GLU A 1 53  ? 3.724   25.079 0.046   1.00 15.11 ? 53  GLU A OE2 1 
ATOM   286  N  N   . SER A 1 54  ? 4.243   21.023 -5.117  1.00 13.30 ? 54  SER A N   1 
ATOM   287  C  CA  . SER A 1 54  ? 4.696   19.735 -5.619  1.00 14.57 ? 54  SER A CA  1 
ATOM   288  C  C   . SER A 1 54  ? 4.620   19.589 -7.130  1.00 13.10 ? 54  SER A C   1 
ATOM   289  O  O   . SER A 1 54  ? 4.991   18.528 -7.635  1.00 15.01 ? 54  SER A O   1 
ATOM   290  C  CB  . SER A 1 54  ? 3.857   18.617 -5.006  1.00 12.30 ? 54  SER A CB  1 
ATOM   291  O  OG  . SER A 1 54  ? 2.527   18.686 -5.520  1.00 12.98 ? 54  SER A OG  1 
ATOM   292  N  N   . ASN A 1 55  ? 4.124   20.586 -7.860  1.00 14.55 ? 55  ASN A N   1 
ATOM   293  C  CA  . ASN A 1 55  ? 3.851   20.439 -9.289  1.00 14.56 ? 55  ASN A CA  1 
ATOM   294  C  C   . ASN A 1 55  ? 2.945   19.242 -9.558  1.00 14.74 ? 55  ASN A C   1 
ATOM   295  O  O   . ASN A 1 55  ? 3.071   18.562 -10.580 1.00 15.74 ? 55  ASN A O   1 
ATOM   296  C  CB  . ASN A 1 55  ? 5.124   20.415 -10.147 1.00 18.56 ? 55  ASN A CB  1 
ATOM   297  C  CG  . ASN A 1 55  ? 4.867   20.863 -11.576 1.00 21.76 ? 55  ASN A CG  1 
ATOM   298  O  OD1 . ASN A 1 55  ? 3.827   21.456 -11.875 1.00 21.56 ? 55  ASN A OD1 1 
ATOM   299  N  ND2 . ASN A 1 55  ? 5.811   20.581 -12.464 1.00 26.83 ? 55  ASN A ND2 1 
ATOM   300  N  N   . PHE A 1 56  ? 2.032   18.980 -8.623  1.00 13.80 ? 56  PHE A N   1 
ATOM   301  C  CA  . PHE A 1 56  ? 1.020   17.932 -8.719  1.00 12.49 ? 56  PHE A CA  1 
ATOM   302  C  C   . PHE A 1 56  ? 1.593   16.523 -8.597  1.00 14.42 ? 56  PHE A C   1 
ATOM   303  O  O   . PHE A 1 56  ? 0.896   15.545 -8.929  1.00 14.68 ? 56  PHE A O   1 
ATOM   304  C  CB  . PHE A 1 56  ? 0.200   18.035 -10.012 1.00 15.74 ? 56  PHE A CB  1 
ATOM   305  C  CG  . PHE A 1 56  ? -0.530  19.348 -10.198 1.00 14.72 ? 56  PHE A CG  1 
ATOM   306  C  CD1 . PHE A 1 56  ? -1.083  20.031 -9.121  1.00 13.15 ? 56  PHE A CD1 1 
ATOM   307  C  CD2 . PHE A 1 56  ? -0.685  19.880 -11.468 1.00 18.75 ? 56  PHE A CD2 1 
ATOM   308  C  CE1 . PHE A 1 56  ? -1.793  21.222 -9.319  1.00 13.29 ? 56  PHE A CE1 1 
ATOM   309  C  CE2 . PHE A 1 56  ? -1.383  21.069 -11.671 1.00 17.74 ? 56  PHE A CE2 1 
ATOM   310  C  CZ  . PHE A 1 56  ? -1.933  21.740 -10.591 1.00 14.86 ? 56  PHE A CZ  1 
ATOM   311  N  N   . ASN A 1 57  ? 2.827   16.376 -8.116  1.00 13.70 ? 57  ASN A N   1 
ATOM   312  C  CA  . ASN A 1 57  ? 3.501   15.084 -8.048  1.00 14.81 ? 57  ASN A CA  1 
ATOM   313  C  C   . ASN A 1 57  ? 3.357   14.547 -6.631  1.00 13.48 ? 57  ASN A C   1 
ATOM   314  O  O   . ASN A 1 57  ? 3.909   15.123 -5.685  1.00 14.28 ? 57  ASN A O   1 
ATOM   315  C  CB  . ASN A 1 57  ? 4.972   15.279 -8.397  1.00 14.61 ? 57  ASN A CB  1 
ATOM   316  C  CG  . ASN A 1 57  ? 5.714   13.977 -8.527  1.00 14.09 ? 57  ASN A CG  1 
ATOM   317  O  OD1 . ASN A 1 57  ? 5.223   12.920 -8.133  1.00 14.63 ? 57  ASN A OD1 1 
ATOM   318  N  ND2 . ASN A 1 57  ? 6.922   14.045 -9.073  1.00 18.56 ? 57  ASN A ND2 1 
ATOM   319  N  N   . THR A 1 58  ? 2.639   13.426 -6.480  1.00 13.35 ? 58  THR A N   1 
ATOM   320  C  CA  . THR A 1 58  ? 2.455   12.856 -5.144  1.00 13.08 ? 58  THR A CA  1 
ATOM   321  C  C   . THR A 1 58  ? 3.764   12.401 -4.512  1.00 13.30 ? 58  THR A C   1 
ATOM   322  O  O   . THR A 1 58  ? 3.833   12.306 -3.286  1.00 13.90 ? 58  THR A O   1 
ATOM   323  C  CB  . THR A 1 58  ? 1.477   11.675 -5.136  1.00 13.77 ? 58  THR A CB  1 
ATOM   324  O  OG1 . THR A 1 58  ? 2.022   10.573 -5.871  1.00 16.23 ? 58  THR A OG1 1 
ATOM   325  C  CG2 . THR A 1 58  ? 0.116   12.076 -5.702  1.00 15.17 ? 58  THR A CG2 1 
ATOM   326  N  N   . GLN A 1 59  ? 4.789   12.103 -5.309  1.00 13.18 ? 59  GLN A N   1 
ATOM   327  C  CA  . GLN A 1 59  ? 6.043   11.578 -4.782  1.00 13.84 ? 59  GLN A CA  1 
ATOM   328  C  C   . GLN A 1 59  ? 7.042   12.657 -4.413  1.00 15.82 ? 59  GLN A C   1 
ATOM   329  O  O   . GLN A 1 59  ? 8.161   12.321 -4.021  1.00 16.45 ? 59  GLN A O   1 
ATOM   330  C  CB  . GLN A 1 59  ? 6.670   10.600 -5.773  1.00 15.07 ? 59  GLN A CB  1 
ATOM   331  C  CG  . GLN A 1 59  ? 5.797   9.400  -6.058  1.00 14.24 ? 59  GLN A CG  1 
ATOM   332  C  CD  . GLN A 1 59  ? 6.552   8.341  -6.809  1.00 15.20 ? 59  GLN A CD  1 
ATOM   333  O  OE1 . GLN A 1 59  ? 6.411   8.193  -8.022  1.00 17.36 ? 59  GLN A OE1 1 
ATOM   334  N  NE2 . GLN A 1 59  ? 7.371   7.597  -6.094  1.00 15.04 ? 59  GLN A NE2 1 
ATOM   335  N  N   . ALA A 1 60  ? 6.668   13.927 -4.511  1.00 12.89 ? 60  ALA A N   1 
ATOM   336  C  CA  . ALA A 1 60  ? 7.581   15.017 -4.207  1.00 14.70 ? 60  ALA A CA  1 
ATOM   337  C  C   . ALA A 1 60  ? 8.060   14.944 -2.763  1.00 12.90 ? 60  ALA A C   1 
ATOM   338  O  O   . ALA A 1 60  ? 7.272   14.751 -1.832  1.00 12.97 ? 60  ALA A O   1 
ATOM   339  C  CB  . ALA A 1 60  ? 6.871   16.343 -4.447  1.00 16.11 ? 60  ALA A CB  1 
ATOM   340  N  N   . THR A 1 61  ? 9.368   15.119 -2.576  1.00 14.99 ? 61  THR A N   1 
ATOM   341  C  CA  . THR A 1 61  ? 9.939   15.259 -1.245  1.00 17.80 ? 61  THR A CA  1 
ATOM   342  C  C   . THR A 1 61  ? 10.982  16.357 -1.287  1.00 17.34 ? 61  THR A C   1 
ATOM   343  O  O   . THR A 1 61  ? 11.668  16.548 -2.295  1.00 20.35 ? 61  THR A O   1 
ATOM   344  C  CB  . THR A 1 61  ? 10.644  13.992 -0.753  1.00 16.70 ? 61  THR A CB  1 
ATOM   345  O  OG1 . THR A 1 61  ? 11.719  13.660 -1.646  1.00 17.66 ? 61  THR A OG1 1 
ATOM   346  C  CG2 . THR A 1 61  ? 9.683   12.825 -0.655  1.00 16.54 ? 61  THR A CG2 1 
ATOM   347  N  N   . ASN A 1 62  ? 11.101  17.080 -0.180  1.00 14.71 ? 62  ASN A N   1 
ATOM   348  C  CA  . ASN A 1 62  ? 12.119  18.116 -0.083  1.00 16.05 ? 62  ASN A CA  1 
ATOM   349  C  C   . ASN A 1 62  ? 12.594  18.242 1.352   1.00 15.92 ? 62  ASN A C   1 
ATOM   350  O  O   . ASN A 1 62  ? 11.784  18.352 2.276   1.00 15.35 ? 62  ASN A O   1 
ATOM   351  C  CB  . ASN A 1 62  ? 11.593  19.456 -0.606  1.00 18.75 ? 62  ASN A CB  1 
ATOM   352  C  CG  . ASN A 1 62  ? 11.413  19.455 -2.114  1.00 22.17 ? 62  ASN A CG  1 
ATOM   353  O  OD1 . ASN A 1 62  ? 12.391  19.522 -2.868  1.00 25.43 ? 62  ASN A OD1 1 
ATOM   354  N  ND2 . ASN A 1 62  ? 10.161  19.378 -2.565  1.00 27.85 ? 62  ASN A ND2 1 
ATOM   355  N  N   . ARG A 1 63  ? 13.913  18.219 1.527   1.00 16.17 ? 63  ARG A N   1 
ATOM   356  C  CA  . ARG A 1 63  ? 14.512  18.328 2.850   1.00 15.49 ? 63  ARG A CA  1 
ATOM   357  C  C   . ARG A 1 63  ? 14.565  19.786 3.277   1.00 14.85 ? 63  ARG A C   1 
ATOM   358  O  O   . ARG A 1 63  ? 14.979  20.652 2.504   1.00 18.43 ? 63  ARG A O   1 
ATOM   359  C  CB  . ARG A 1 63  ? 15.936  17.776 2.832   1.00 17.93 ? 63  ARG A CB  1 
ATOM   360  C  CG  . ARG A 1 63  ? 16.469  17.419 4.220   1.00 19.69 ? 63  ARG A CG  1 
ATOM   361  C  CD  . ARG A 1 63  ? 15.815  16.125 4.651   1.00 24.54 ? 63  ARG A CD  1 
ATOM   362  N  NE  . ARG A 1 63  ? 16.135  15.703 6.009   1.00 29.15 ? 63  ARG A NE  1 
ATOM   363  C  CZ  . ARG A 1 63  ? 17.047  14.789 6.311   1.00 25.81 ? 63  ARG A CZ  1 
ATOM   364  N  NH1 . ARG A 1 63  ? 17.824  14.255 5.382   1.00 29.84 ? 63  ARG A NH1 1 
ATOM   365  N  NH2 . ARG A 1 63  ? 17.164  14.382 7.572   1.00 18.71 ? 63  ARG A NH2 1 
ATOM   366  N  N   . ASN A 1 64  ? 14.178  20.039 4.518   1.00 15.37 ? 64  ASN A N   1 
ATOM   367  C  CA  . ASN A 1 64  ? 14.256  21.357 5.120   1.00 16.56 ? 64  ASN A CA  1 
ATOM   368  C  C   . ASN A 1 64  ? 15.594  21.522 5.830   1.00 17.82 ? 64  ASN A C   1 
ATOM   369  O  O   . ASN A 1 64  ? 16.271  20.548 6.174   1.00 18.78 ? 64  ASN A O   1 
ATOM   370  C  CB  . ASN A 1 64  ? 13.104  21.520 6.103   1.00 17.02 ? 64  ASN A CB  1 
ATOM   371  C  CG  . ASN A 1 64  ? 11.761  21.333 5.433   1.00 17.55 ? 64  ASN A CG  1 
ATOM   372  O  OD1 . ASN A 1 64  ? 11.554  21.810 4.312   1.00 18.53 ? 64  ASN A OD1 1 
ATOM   373  N  ND2 . ASN A 1 64  ? 10.851  20.631 6.095   1.00 16.67 ? 64  ASN A ND2 1 
ATOM   374  N  N   . THR A 1 65  ? 15.978  22.783 6.037   1.00 21.85 ? 65  THR A N   1 
ATOM   375  C  CA  . THR A 1 65  ? 17.270  23.078 6.647   1.00 21.55 ? 65  THR A CA  1 
ATOM   376  C  C   . THR A 1 65  ? 17.395  22.471 8.039   1.00 23.40 ? 65  THR A C   1 
ATOM   377  O  O   . THR A 1 65  ? 18.506  22.140 8.468   1.00 25.37 ? 65  THR A O   1 
ATOM   378  C  CB  . THR A 1 65  ? 17.502  24.591 6.701   1.00 25.21 ? 65  THR A CB  1 
ATOM   379  O  OG1 . THR A 1 65  ? 16.489  25.203 7.504   1.00 30.15 ? 65  THR A OG1 1 
ATOM   380  C  CG2 . THR A 1 65  ? 17.471  25.186 5.307   1.00 32.25 ? 65  THR A CG2 1 
ATOM   381  N  N   . ASP A 1 66  ? 16.285  22.305 8.755   1.00 19.05 ? 66  ASP A N   1 
ATOM   382  C  CA  . ASP A 1 66  ? 16.351  21.757 10.105  1.00 19.25 ? 66  ASP A CA  1 
ATOM   383  C  C   . ASP A 1 66  ? 16.434  20.234 10.143  1.00 19.78 ? 66  ASP A C   1 
ATOM   384  O  O   . ASP A 1 66  ? 16.462  19.660 11.236  1.00 22.91 ? 66  ASP A O   1 
ATOM   385  C  CB  . ASP A 1 66  ? 15.183  22.264 10.959  1.00 21.11 ? 66  ASP A CB  1 
ATOM   386  C  CG  . ASP A 1 66  ? 13.832  21.747 10.487  1.00 24.85 ? 66  ASP A CG  1 
ATOM   387  O  OD1 . ASP A 1 66  ? 13.772  21.001 9.485   1.00 20.83 ? 66  ASP A OD1 1 
ATOM   388  O  OD2 . ASP A 1 66  ? 12.816  22.078 11.132  1.00 25.26 ? 66  ASP A OD2 1 
ATOM   389  N  N   . GLY A 1 67  ? 16.472  19.566 8.992   1.00 18.54 ? 67  GLY A N   1 
ATOM   390  C  CA  . GLY A 1 67  ? 16.530  18.120 8.942   1.00 18.84 ? 67  GLY A CA  1 
ATOM   391  C  C   . GLY A 1 67  ? 15.190  17.440 8.756   1.00 15.48 ? 67  GLY A C   1 
ATOM   392  O  O   . GLY A 1 67  ? 15.155  16.228 8.490   1.00 16.46 ? 67  GLY A O   1 
ATOM   393  N  N   . SER A 1 68  ? 14.092  18.174 8.902   1.00 15.39 ? 68  SER A N   1 
ATOM   394  C  CA  . SER A 1 68  ? 12.786  17.639 8.558   1.00 15.20 ? 68  SER A CA  1 
ATOM   395  C  C   . SER A 1 68  ? 12.637  17.548 7.040   1.00 14.22 ? 68  SER A C   1 
ATOM   396  O  O   . SER A 1 68  ? 13.467  18.039 6.273   1.00 14.52 ? 68  SER A O   1 
ATOM   397  C  CB  . SER A 1 68  ? 11.681  18.504 9.160   1.00 16.19 ? 68  SER A CB  1 
ATOM   398  O  OG  . SER A 1 68  ? 11.683  19.809 8.604   1.00 15.12 ? 68  SER A OG  1 
ATOM   399  N  N   . THR A 1 69  ? 11.559  16.892 6.610   1.00 13.25 ? 69  THR A N   1 
ATOM   400  C  CA  . THR A 1 69  ? 11.300  16.682 5.195   1.00 13.05 ? 69  THR A CA  1 
ATOM   401  C  C   . THR A 1 69  ? 9.833   16.968 4.919   1.00 13.52 ? 69  THR A C   1 
ATOM   402  O  O   . THR A 1 69  ? 8.967   16.666 5.743   1.00 13.66 ? 69  THR A O   1 
ATOM   403  C  CB  . THR A 1 69  ? 11.658  15.248 4.794   1.00 13.55 ? 69  THR A CB  1 
ATOM   404  O  OG1 . THR A 1 69  ? 13.026  15.003 5.139   1.00 15.30 ? 69  THR A OG1 1 
ATOM   405  C  CG2 . THR A 1 69  ? 11.498  15.043 3.310   1.00 14.72 ? 69  THR A CG2 1 
ATOM   406  N  N   . ASP A 1 70  ? 9.570   17.568 3.764   1.00 12.32 ? 70  ASP A N   1 
ATOM   407  C  CA  . ASP A 1 70  ? 8.209   17.805 3.304   1.00 14.63 ? 70  ASP A CA  1 
ATOM   408  C  C   . ASP A 1 70  ? 7.825   16.730 2.293   1.00 14.00 ? 70  ASP A C   1 
ATOM   409  O  O   . ASP A 1 70  ? 8.615   16.394 1.405   1.00 14.63 ? 70  ASP A O   1 
ATOM   410  C  CB  . ASP A 1 70  ? 8.101   19.168 2.621   1.00 14.31 ? 70  ASP A CB  1 
ATOM   411  C  CG  . ASP A 1 70  ? 8.221   20.332 3.584   1.00 16.69 ? 70  ASP A CG  1 
ATOM   412  O  OD1 . ASP A 1 70  ? 8.181   20.122 4.811   1.00 14.71 ? 70  ASP A OD1 1 
ATOM   413  O  OD2 . ASP A 1 70  ? 8.330   21.479 3.092   1.00 19.57 ? 70  ASP A OD2 1 
ATOM   414  N  N   . TYR A 1 71  ? 6.598   16.211 2.413   1.00 13.24 ? 71  TYR A N   1 
ATOM   415  C  CA  . TYR A 1 71  ? 6.171   15.043 1.650   1.00 14.19 ? 71  TYR A CA  1 
ATOM   416  C  C   . TYR A 1 71  ? 4.884   15.298 0.884   1.00 13.17 ? 71  TYR A C   1 
ATOM   417  O  O   . TYR A 1 71  ? 3.895   15.778 1.454   1.00 13.93 ? 71  TYR A O   1 
ATOM   418  C  CB  . TYR A 1 71  ? 5.901   13.863 2.580   1.00 15.36 ? 71  TYR A CB  1 
ATOM   419  C  CG  . TYR A 1 71  ? 7.121   13.356 3.271   1.00 13.25 ? 71  TYR A CG  1 
ATOM   420  C  CD1 . TYR A 1 71  ? 7.561   13.938 4.447   1.00 14.60 ? 71  TYR A CD1 1 
ATOM   421  C  CD2 . TYR A 1 71  ? 7.860   12.305 2.732   1.00 14.12 ? 71  TYR A CD2 1 
ATOM   422  C  CE1 . TYR A 1 71  ? 8.699   13.488 5.073   1.00 14.64 ? 71  TYR A CE1 1 
ATOM   423  C  CE2 . TYR A 1 71  ? 8.993   11.838 3.360   1.00 14.86 ? 71  TYR A CE2 1 
ATOM   424  C  CZ  . TYR A 1 71  ? 9.402   12.430 4.527   1.00 13.63 ? 71  TYR A CZ  1 
ATOM   425  O  OH  . TYR A 1 71  ? 10.540  11.975 5.158   1.00 14.32 ? 71  TYR A OH  1 
ATOM   426  N  N   . GLY A 1 72  ? 4.887   14.924 -0.389  1.00 12.79 ? 72  GLY A N   1 
ATOM   427  C  CA  . GLY A 1 72  ? 3.654   14.742 -1.118  1.00 12.58 ? 72  GLY A CA  1 
ATOM   428  C  C   . GLY A 1 72  ? 3.167   15.984 -1.830  1.00 14.22 ? 72  GLY A C   1 
ATOM   429  O  O   . GLY A 1 72  ? 3.834   17.013 -1.955  1.00 13.66 ? 72  GLY A O   1 
ATOM   430  N  N   . ILE A 1 73  ? 1.920   15.867 -2.286  1.00 15.57 ? 73  ILE A N   1 
ATOM   431  C  CA  . ILE A 1 73  ? 1.349   16.864 -3.176  1.00 15.37 ? 73  ILE A CA  1 
ATOM   432  C  C   . ILE A 1 73  ? 1.194   18.208 -2.474  1.00 13.63 ? 73  ILE A C   1 
ATOM   433  O  O   . ILE A 1 73  ? 1.230   19.259 -3.124  1.00 15.26 ? 73  ILE A O   1 
ATOM   434  C  CB  . ILE A 1 73  ? 0.037   16.301 -3.758  1.00 23.03 ? 73  ILE A CB  1 
ATOM   435  C  CG1 . ILE A 1 73  ? -0.276  16.944 -5.110  1.00 28.74 ? 73  ILE A CG1 1 
ATOM   436  C  CG2 . ILE A 1 73  ? -1.092  16.411 -2.740  1.00 21.00 ? 73  ILE A CG2 1 
ATOM   437  C  CD1 . ILE A 1 73  ? -0.907  15.993 -6.095  1.00 27.58 ? 73  ILE A CD1 1 
ATOM   438  N  N   . LEU A 1 74  ? 1.064   18.201 -1.145  1.00 14.99 ? 74  LEU A N   1 
ATOM   439  C  CA  . LEU A 1 74  ? 0.993   19.420 -0.349  1.00 16.54 ? 74  LEU A CA  1 
ATOM   440  C  C   . LEU A 1 74  ? 2.193   19.599 0.575   1.00 16.40 ? 74  LEU A C   1 
ATOM   441  O  O   . LEU A 1 74  ? 2.163   20.454 1.463   1.00 15.54 ? 74  LEU A O   1 
ATOM   442  C  CB  . LEU A 1 74  ? -0.330  19.512 0.417   1.00 17.02 ? 74  LEU A CB  1 
ATOM   443  C  CG  . LEU A 1 74  ? -1.552  19.813 -0.464  1.00 17.12 ? 74  LEU A CG  1 
ATOM   444  C  CD1 . LEU A 1 74  ? -2.857  19.568 0.286   1.00 17.01 ? 74  LEU A CD1 1 
ATOM   445  C  CD2 . LEU A 1 74  ? -1.493  21.240 -0.993  1.00 18.06 ? 74  LEU A CD2 1 
ATOM   446  N  N   . GLN A 1 75  ? 3.265   18.833 0.369   1.00 13.07 ? 75  GLN A N   1 
ATOM   447  C  CA  . GLN A 1 75  ? 4.546   19.102 1.027   1.00 14.31 ? 75  GLN A CA  1 
ATOM   448  C  C   . GLN A 1 75  ? 4.386   19.232 2.541   1.00 15.74 ? 75  GLN A C   1 
ATOM   449  O  O   . GLN A 1 75  ? 4.782   20.221 3.164   1.00 15.42 ? 75  GLN A O   1 
ATOM   450  C  CB  . GLN A 1 75  ? 5.236   20.309 0.400   1.00 14.83 ? 75  GLN A CB  1 
ATOM   451  C  CG  . GLN A 1 75  ? 5.728   20.011 -0.982  1.00 13.33 ? 75  GLN A CG  1 
ATOM   452  C  CD  . GLN A 1 75  ? 6.870   19.026 -0.953  1.00 13.35 ? 75  GLN A CD  1 
ATOM   453  O  OE1 . GLN A 1 75  ? 8.018   19.398 -0.698  1.00 14.50 ? 75  GLN A OE1 1 
ATOM   454  N  NE2 . GLN A 1 75  ? 6.566   17.764 -1.189  1.00 13.28 ? 75  GLN A NE2 1 
ATOM   455  N  N   . ILE A 1 76  ? 3.792   18.206 3.126   1.00 13.86 ? 76  ILE A N   1 
ATOM   456  C  CA  . ILE A 1 76  ? 3.504   18.182 4.553   1.00 14.91 ? 76  ILE A CA  1 
ATOM   457  C  C   . ILE A 1 76  ? 4.765   17.811 5.332   1.00 14.43 ? 76  ILE A C   1 
ATOM   458  O  O   . ILE A 1 76  ? 5.469   16.853 4.995   1.00 14.70 ? 76  ILE A O   1 
ATOM   459  C  CB  . ILE A 1 76  ? 2.328   17.236 4.826   1.00 16.09 ? 76  ILE A CB  1 
ATOM   460  C  CG1 . ILE A 1 76  ? 1.051   17.881 4.272   1.00 16.84 ? 76  ILE A CG1 1 
ATOM   461  C  CG2 . ILE A 1 76  ? 2.202   16.920 6.295   1.00 18.00 ? 76  ILE A CG2 1 
ATOM   462  C  CD1 . ILE A 1 76  ? -0.191  17.009 4.332   1.00 19.99 ? 76  ILE A CD1 1 
ATOM   463  N  N   . ASN A 1 77  ? 5.042   18.571 6.391   1.00 14.37 ? 77  ASN A N   1 
ATOM   464  C  CA  . ASN A 1 77  ? 6.336   18.569 7.066   1.00 14.67 ? 77  ASN A CA  1 
ATOM   465  C  C   . ASN A 1 77  ? 6.381   17.546 8.196   1.00 16.87 ? 77  ASN A C   1 
ATOM   466  O  O   . ASN A 1 77  ? 5.548   17.575 9.107   1.00 16.73 ? 77  ASN A O   1 
ATOM   467  C  CB  . ASN A 1 77  ? 6.571   19.973 7.635   1.00 16.36 ? 77  ASN A CB  1 
ATOM   468  C  CG  . ASN A 1 77  ? 8.008   20.229 8.025   1.00 18.10 ? 77  ASN A CG  1 
ATOM   469  O  OD1 . ASN A 1 77  ? 8.807   19.309 8.165   1.00 20.33 ? 77  ASN A OD1 1 
ATOM   470  N  ND2 . ASN A 1 77  ? 8.337   21.497 8.228   1.00 21.08 ? 77  ASN A ND2 1 
ATOM   471  N  N   . SER A 1 78  ? 7.397   16.674 8.153   1.00 15.48 ? 78  SER A N   1 
ATOM   472  C  CA  . SER A 1 78  ? 7.656   15.711 9.221   1.00 14.66 ? 78  SER A CA  1 
ATOM   473  C  C   . SER A 1 78  ? 8.022   16.373 10.542  1.00 16.98 ? 78  SER A C   1 
ATOM   474  O  O   . SER A 1 78  ? 8.045   15.685 11.568  1.00 18.18 ? 78  SER A O   1 
ATOM   475  C  CB  . SER A 1 78  ? 8.799   14.780 8.814   1.00 16.84 ? 78  SER A CB  1 
ATOM   476  O  OG  . SER A 1 78  ? 10.016  15.507 8.758   1.00 15.62 ? 78  SER A OG  1 
ATOM   477  N  N   . ARG A 1 79  ? 8.322   17.673 10.546  1.00 15.36 ? 79  ARG A N   1 
ATOM   478  C  CA  . ARG A 1 79  ? 8.582   18.356 11.804  1.00 19.33 ? 79  ARG A CA  1 
ATOM   479  C  C   . ARG A 1 79  ? 7.387   18.257 12.738  1.00 18.43 ? 79  ARG A C   1 
ATOM   480  O  O   . ARG A 1 79  ? 7.557   18.151 13.958  1.00 20.98 ? 79  ARG A O   1 
ATOM   481  C  CB  . ARG A 1 79  ? 8.937   19.818 11.526  1.00 19.68 ? 79  ARG A CB  1 
ATOM   482  C  CG  . ARG A 1 79  ? 9.156   20.679 12.762  1.00 22.53 ? 79  ARG A CG  1 
ATOM   483  C  CD  . ARG A 1 79  ? 10.309  20.169 13.614  1.00 25.65 ? 79  ARG A CD  1 
ATOM   484  N  NE  . ARG A 1 79  ? 10.476  20.968 14.822  1.00 33.14 ? 79  ARG A NE  1 
ATOM   485  C  CZ  . ARG A 1 79  ? 9.772   20.802 15.934  1.00 31.95 ? 79  ARG A CZ  1 
ATOM   486  N  NH1 . ARG A 1 79  ? 8.835   19.871 16.029  1.00 32.79 ? 79  ARG A NH1 1 
ATOM   487  N  NH2 . ARG A 1 79  ? 10.009  21.594 16.976  1.00 36.30 ? 79  ARG A NH2 1 
ATOM   488  N  N   . TRP A 1 80  ? 6.172   18.245 12.186  1.00 17.28 ? 80  TRP A N   1 
ATOM   489  C  CA  . TRP A 1 80  ? 4.974   18.310 13.013  1.00 18.29 ? 80  TRP A CA  1 
ATOM   490  C  C   . TRP A 1 80  ? 3.956   17.226 12.704  1.00 17.12 ? 80  TRP A C   1 
ATOM   491  O  O   . TRP A 1 80  ? 3.234   16.782 13.602  1.00 18.06 ? 80  TRP A O   1 
ATOM   492  C  CB  . TRP A 1 80  ? 4.276   19.657 12.821  1.00 20.69 ? 80  TRP A CB  1 
ATOM   493  C  CG  . TRP A 1 80  ? 5.133   20.799 13.177  1.00 21.17 ? 80  TRP A CG  1 
ATOM   494  C  CD1 . TRP A 1 80  ? 5.737   21.661 12.320  1.00 24.05 ? 80  TRP A CD1 1 
ATOM   495  C  CD2 . TRP A 1 80  ? 5.521   21.196 14.496  1.00 25.50 ? 80  TRP A CD2 1 
ATOM   496  N  NE1 . TRP A 1 80  ? 6.473   22.584 13.022  1.00 26.38 ? 80  TRP A NE1 1 
ATOM   497  C  CE2 . TRP A 1 80  ? 6.351   22.323 14.361  1.00 24.53 ? 80  TRP A CE2 1 
ATOM   498  C  CE3 . TRP A 1 80  ? 5.239   20.712 15.777  1.00 31.38 ? 80  TRP A CE3 1 
ATOM   499  C  CZ2 . TRP A 1 80  ? 6.911   22.973 15.460  1.00 33.33 ? 80  TRP A CZ2 1 
ATOM   500  C  CZ3 . TRP A 1 80  ? 5.791   21.361 16.868  1.00 30.64 ? 80  TRP A CZ3 1 
ATOM   501  C  CH2 . TRP A 1 80  ? 6.617   22.478 16.702  1.00 36.52 ? 80  TRP A CH2 1 
ATOM   502  N  N   . TRP A 1 81  ? 3.848   16.815 11.439  1.00 16.20 ? 81  TRP A N   1 
ATOM   503  C  CA  . TRP A 1 81  ? 2.606   16.211 10.974  1.00 15.85 ? 81  TRP A CA  1 
ATOM   504  C  C   . TRP A 1 81  ? 2.666   14.721 10.685  1.00 16.13 ? 81  TRP A C   1 
ATOM   505  O  O   . TRP A 1 81  ? 1.619   14.071 10.701  1.00 16.30 ? 81  TRP A O   1 
ATOM   506  C  CB  . TRP A 1 81  ? 2.093   16.936 9.721   1.00 15.68 ? 81  TRP A CB  1 
ATOM   507  C  CG  . TRP A 1 81  ? 1.920   18.393 9.967   1.00 16.16 ? 81  TRP A CG  1 
ATOM   508  C  CD1 . TRP A 1 81  ? 2.718   19.396 9.520   1.00 17.13 ? 81  TRP A CD1 1 
ATOM   509  C  CD2 . TRP A 1 81  ? 0.920   19.003 10.785  1.00 17.43 ? 81  TRP A CD2 1 
ATOM   510  N  NE1 . TRP A 1 81  ? 2.258   20.606 9.987   1.00 17.44 ? 81  TRP A NE1 1 
ATOM   511  C  CE2 . TRP A 1 81  ? 1.157   20.389 10.767  1.00 17.58 ? 81  TRP A CE2 1 
ATOM   512  C  CE3 . TRP A 1 81  ? -0.166  18.513 11.510  1.00 18.63 ? 81  TRP A CE3 1 
ATOM   513  C  CZ2 . TRP A 1 81  ? 0.342   21.295 11.444  1.00 18.13 ? 81  TRP A CZ2 1 
ATOM   514  C  CZ3 . TRP A 1 81  ? -0.971  19.415 12.183  1.00 17.86 ? 81  TRP A CZ3 1 
ATOM   515  C  CH2 . TRP A 1 81  ? -0.705  20.786 12.154  1.00 21.17 ? 81  TRP A CH2 1 
ATOM   516  N  N   . CYS A 1 82  ? 3.839   14.171 10.395  1.00 16.81 ? 82  CYS A N   1 
ATOM   517  C  CA  . CYS A 1 82  ? 3.945   12.760 10.062  1.00 17.15 ? 82  CYS A CA  1 
ATOM   518  C  C   . CYS A 1 82  ? 5.254   12.227 10.615  1.00 15.26 ? 82  CYS A C   1 
ATOM   519  O  O   . CYS A 1 82  ? 6.162   12.986 10.957  1.00 15.99 ? 82  CYS A O   1 
ATOM   520  C  CB  . CYS A 1 82  ? 3.844   12.531 8.547   1.00 16.95 ? 82  CYS A CB  1 
ATOM   521  S  SG  . CYS A 1 82  ? 5.147   13.337 7.563   1.00 14.90 ? 82  CYS A SG  1 
ATOM   522  N  N   . ASN A 1 83  ? 5.354   10.905 10.690  1.00 16.07 ? 83  ASN A N   1 
ATOM   523  C  CA  . ASN A 1 83  ? 6.572   10.272 11.168  1.00 17.05 ? 83  ASN A CA  1 
ATOM   524  C  C   . ASN A 1 83  ? 7.369   9.706  10.000  1.00 16.06 ? 83  ASN A C   1 
ATOM   525  O  O   . ASN A 1 83  ? 6.854   8.890  9.226   1.00 14.91 ? 83  ASN A O   1 
ATOM   526  C  CB  . ASN A 1 83  ? 6.288   9.172  12.184  1.00 17.85 ? 83  ASN A CB  1 
ATOM   527  C  CG  . ASN A 1 83  ? 7.549   8.481  12.615  1.00 19.94 ? 83  ASN A CG  1 
ATOM   528  O  OD1 . ASN A 1 83  ? 8.473   9.118  13.134  1.00 19.57 ? 83  ASN A OD1 1 
ATOM   529  N  ND2 . ASN A 1 83  ? 7.621   7.181  12.365  1.00 22.73 ? 83  ASN A ND2 1 
ATOM   530  N  N   . ASP A 1 84  ? 8.628   10.131 9.888   1.00 15.89 ? 84  ASP A N   1 
ATOM   531  C  CA  . ASP A 1 84  ? 9.568   9.529  8.955   1.00 16.43 ? 84  ASP A CA  1 
ATOM   532  C  C   . ASP A 1 84  ? 10.760  8.867  9.634   1.00 16.06 ? 84  ASP A C   1 
ATOM   533  O  O   . ASP A 1 84  ? 11.654  8.382  8.934   1.00 15.76 ? 84  ASP A O   1 
ATOM   534  C  CB  . ASP A 1 84  ? 10.028  10.525 7.869   1.00 15.82 ? 84  ASP A CB  1 
ATOM   535  C  CG  . ASP A 1 84  ? 10.827  11.708 8.412   1.00 15.86 ? 84  ASP A CG  1 
ATOM   536  O  OD1 . ASP A 1 84  ? 11.167  11.745 9.616   1.00 15.72 ? 84  ASP A OD1 1 
ATOM   537  O  OD2 . ASP A 1 84  ? 11.136  12.604 7.595   1.00 15.09 ? 84  ASP A OD2 1 
ATOM   538  N  N   . GLY A 1 85  ? 10.798  8.836  10.963  1.00 17.43 ? 85  GLY A N   1 
ATOM   539  C  CA  . GLY A 1 85  ? 11.869  8.180  11.683  1.00 18.04 ? 85  GLY A CA  1 
ATOM   540  C  C   . GLY A 1 85  ? 13.210  8.875  11.641  1.00 21.39 ? 85  GLY A C   1 
ATOM   541  O  O   . GLY A 1 85  ? 14.159  8.374  12.252  1.00 23.06 ? 85  GLY A O   1 
ATOM   542  N  N   . ARG A 1 86  ? 13.335  10.013 10.950  1.00 19.08 ? 86  ARG A N   1 
ATOM   543  C  CA  . ARG A 1 86  ? 14.618  10.698 10.835  1.00 19.14 ? 86  ARG A CA  1 
ATOM   544  C  C   . ARG A 1 86  ? 14.494  12.194 11.087  1.00 19.77 ? 86  ARG A C   1 
ATOM   545  O  O   . ARG A 1 86  ? 15.295  12.984 10.581  1.00 21.66 ? 86  ARG A O   1 
ATOM   546  C  CB  . ARG A 1 86  ? 15.249  10.448 9.471   1.00 20.56 ? 86  ARG A CB  1 
ATOM   547  C  CG  . ARG A 1 86  ? 14.429  10.998 8.338   1.00 20.34 ? 86  ARG A CG  1 
ATOM   548  C  CD  . ARG A 1 86  ? 15.224  10.929 7.092   1.00 26.68 ? 86  ARG A CD  1 
ATOM   549  N  NE  . ARG A 1 86  ? 14.884  12.008 6.183   1.00 26.64 ? 86  ARG A NE  1 
ATOM   550  C  CZ  . ARG A 1 86  ? 15.415  12.141 4.979   1.00 22.83 ? 86  ARG A CZ  1 
ATOM   551  N  NH1 . ARG A 1 86  ? 16.303  11.275 4.522   1.00 23.79 ? 86  ARG A NH1 1 
ATOM   552  N  NH2 . ARG A 1 86  ? 15.032  13.156 4.209   1.00 24.44 ? 86  ARG A NH2 1 
ATOM   553  N  N   . THR A 1 87  ? 13.500  12.602 11.870  1.00 18.86 ? 87  THR A N   1 
ATOM   554  C  CA  . THR A 1 87  ? 13.357  13.986 12.311  1.00 19.36 ? 87  THR A CA  1 
ATOM   555  C  C   . THR A 1 87  ? 13.316  13.972 13.834  1.00 18.59 ? 87  THR A C   1 
ATOM   556  O  O   . THR A 1 87  ? 12.256  14.163 14.439  1.00 20.68 ? 87  THR A O   1 
ATOM   557  C  CB  . THR A 1 87  ? 12.101  14.616 11.713  1.00 17.13 ? 87  THR A CB  1 
ATOM   558  O  OG1 . THR A 1 87  ? 12.057  14.307 10.319  1.00 16.84 ? 87  THR A OG1 1 
ATOM   559  C  CG2 . THR A 1 87  ? 12.136  16.132 11.859  1.00 18.99 ? 87  THR A CG2 1 
ATOM   560  N  N   . PRO A 1 88  ? 14.456  13.723 14.480  1.00 22.96 ? 88  PRO A N   1 
ATOM   561  C  CA  . PRO A 1 88  ? 14.462  13.562 15.941  1.00 26.10 ? 88  PRO A CA  1 
ATOM   562  C  C   . PRO A 1 88  ? 13.824  14.751 16.637  1.00 24.58 ? 88  PRO A C   1 
ATOM   563  O  O   . PRO A 1 88  ? 14.089  15.906 16.300  1.00 26.78 ? 88  PRO A O   1 
ATOM   564  C  CB  . PRO A 1 88  ? 15.955  13.457 16.277  1.00 29.48 ? 88  PRO A CB  1 
ATOM   565  C  CG  . PRO A 1 88  ? 16.608  13.008 15.023  1.00 26.45 ? 88  PRO A CG  1 
ATOM   566  C  CD  . PRO A 1 88  ? 15.799  13.580 13.895  1.00 25.30 ? 88  PRO A CD  1 
ATOM   567  N  N   . GLY A 1 89  ? 12.961  14.459 17.606  1.00 26.25 ? 89  GLY A N   1 
ATOM   568  C  CA  . GLY A 1 89  ? 12.294  15.484 18.377  1.00 23.75 ? 89  GLY A CA  1 
ATOM   569  C  C   . GLY A 1 89  ? 11.023  16.028 17.761  1.00 28.03 ? 89  GLY A C   1 
ATOM   570  O  O   . GLY A 1 89  ? 10.415  16.936 18.340  1.00 31.14 ? 89  GLY A O   1 
ATOM   571  N  N   . SER A 1 90  ? 10.590  15.490 16.626  1.00 25.34 ? 90  SER A N   1 
ATOM   572  C  CA  . SER A 1 90  ? 9.443   16.015 15.904  1.00 23.43 ? 90  SER A CA  1 
ATOM   573  C  C   . SER A 1 90  ? 8.145   15.398 16.414  1.00 24.38 ? 90  SER A C   1 
ATOM   574  O  O   . SER A 1 90  ? 8.136   14.456 17.211  1.00 28.56 ? 90  SER A O   1 
ATOM   575  C  CB  . SER A 1 90  ? 9.587   15.728 14.411  1.00 21.35 ? 90  SER A CB  1 
ATOM   576  O  OG  . SER A 1 90  ? 9.487   14.335 14.153  1.00 21.10 ? 90  SER A OG  1 
ATOM   577  N  N   . ARG A 1 91  ? 7.037   15.935 15.919  1.00 22.74 ? 91  ARG A N   1 
ATOM   578  C  CA  . ARG A 1 91  ? 5.705   15.436 16.217  1.00 22.05 ? 91  ARG A CA  1 
ATOM   579  C  C   . ARG A 1 91  ? 5.157   14.665 15.022  1.00 21.41 ? 91  ARG A C   1 
ATOM   580  O  O   . ARG A 1 91  ? 5.732   14.662 13.931  1.00 20.46 ? 91  ARG A O   1 
ATOM   581  C  CB  . ARG A 1 91  ? 4.770   16.593 16.579  1.00 24.06 ? 91  ARG A CB  1 
ATOM   582  C  CG  . ARG A 1 91  ? 5.023   17.191 17.959  1.00 29.34 ? 91  ARG A CG  1 
ATOM   583  C  CD  . ARG A 1 91  ? 4.577   16.236 19.065  1.00 36.65 ? 91  ARG A CD  1 
ATOM   584  N  NE  . ARG A 1 91  ? 3.333   15.553 18.725  1.00 45.09 ? 91  ARG A NE  1 
ATOM   585  C  CZ  . ARG A 1 91  ? 3.231   14.254 18.470  1.00 34.19 ? 91  ARG A CZ  1 
ATOM   586  N  NH1 . ARG A 1 91  ? 4.274   13.445 18.571  1.00 43.27 ? 91  ARG A NH1 1 
ATOM   587  N  NH2 . ARG A 1 91  ? 2.057   13.757 18.097  1.00 32.01 ? 91  ARG A NH2 1 
ATOM   588  N  N   . ASN A 1 92  ? 4.016   13.997 15.252  1.00 21.39 ? 92  ASN A N   1 
ATOM   589  C  CA  . ASN A 1 92  ? 3.312   13.203 14.245  1.00 18.82 ? 92  ASN A CA  1 
ATOM   590  C  C   . ASN A 1 92  ? 1.815   13.447 14.462  1.00 19.50 ? 92  ASN A C   1 
ATOM   591  O  O   . ASN A 1 92  ? 1.044   12.558 14.817  1.00 20.88 ? 92  ASN A O   1 
ATOM   592  C  CB  . ASN A 1 92  ? 3.682   11.718 14.352  1.00 20.31 ? 92  ASN A CB  1 
ATOM   593  C  CG  . ASN A 1 92  ? 2.956   10.846 13.343  1.00 18.61 ? 92  ASN A CG  1 
ATOM   594  O  OD1 . ASN A 1 92  ? 2.304   11.334 12.421  1.00 19.90 ? 92  ASN A OD1 1 
ATOM   595  N  ND2 . ASN A 1 92  ? 3.069   9.535  13.519  1.00 20.59 ? 92  ASN A ND2 1 
ATOM   596  N  N   . LEU A 1 93  ? 1.395   14.698 14.241  1.00 20.12 ? 93  LEU A N   1 
ATOM   597  C  CA  . LEU A 1 93  ? 0.042   15.117 14.595  1.00 21.71 ? 93  LEU A CA  1 
ATOM   598  C  C   . LEU A 1 93  ? -1.028  14.504 13.701  1.00 23.41 ? 93  LEU A C   1 
ATOM   599  O  O   . LEU A 1 93  ? -2.185  14.415 14.121  1.00 22.21 ? 93  LEU A O   1 
ATOM   600  C  CB  . LEU A 1 93  ? -0.056  16.645 14.622  1.00 22.35 ? 93  LEU A CB  1 
ATOM   601  C  CG  . LEU A 1 93  ? 0.765   17.339 15.714  1.00 23.15 ? 93  LEU A CG  1 
ATOM   602  C  CD1 . LEU A 1 93  ? 0.760   18.842 15.509  1.00 26.73 ? 93  LEU A CD1 1 
ATOM   603  C  CD2 . LEU A 1 93  ? 0.222   16.985 17.090  1.00 30.12 ? 93  LEU A CD2 1 
ATOM   604  N  N   . CYS A 1 94  ? -0.686  14.084 12.485  1.00 19.89 ? 94  CYS A N   1 
ATOM   605  C  CA  . CYS A 1 94  ? -1.643  13.390 11.638  1.00 20.92 ? 94  CYS A CA  1 
ATOM   606  C  C   . CYS A 1 94  ? -1.630  11.890 11.862  1.00 18.78 ? 94  CYS A C   1 
ATOM   607  O  O   . CYS A 1 94  ? -2.427  11.181 11.242  1.00 19.90 ? 94  CYS A O   1 
ATOM   608  C  CB  . CYS A 1 94  ? -1.400  13.718 10.166  1.00 18.84 ? 94  CYS A CB  1 
ATOM   609  S  SG  . CYS A 1 94  ? -1.763  15.433 9.800   1.00 18.18 ? 94  CYS A SG  1 
ATOM   610  N  N   . ASN A 1 95  ? -0.740  11.407 12.732  1.00 21.16 ? 95  ASN A N   1 
ATOM   611  C  CA  . ASN A 1 95  ? -0.677  9.997  13.114  1.00 19.28 ? 95  ASN A CA  1 
ATOM   612  C  C   . ASN A 1 95  ? -0.524  9.085  11.898  1.00 20.20 ? 95  ASN A C   1 
ATOM   613  O  O   . ASN A 1 95  ? -1.258  8.109  11.725  1.00 21.34 ? 95  ASN A O   1 
ATOM   614  C  CB  . ASN A 1 95  ? -1.869  9.601  13.986  1.00 22.39 ? 95  ASN A CB  1 
ATOM   615  C  CG  . ASN A 1 95  ? -1.982  10.461 15.235  1.00 32.27 ? 95  ASN A CG  1 
ATOM   616  O  OD1 . ASN A 1 95  ? -1.222  10.290 16.188  1.00 40.40 ? 95  ASN A OD1 1 
ATOM   617  N  ND2 . ASN A 1 95  ? -2.931  11.393 15.233  1.00 32.63 ? 95  ASN A ND2 1 
ATOM   618  N  N   . ILE A 1 96  ? 0.443   9.421  11.045  1.00 21.33 ? 96  ILE A N   1 
ATOM   619  C  CA  . ILE A 1 96  ? 0.683   8.669  9.812   1.00 18.60 ? 96  ILE A CA  1 
ATOM   620  C  C   . ILE A 1 96  ? 2.172   8.627  9.532   1.00 20.27 ? 96  ILE A C   1 
ATOM   621  O  O   . ILE A 1 96  ? 2.927   9.548  9.874   1.00 18.46 ? 96  ILE A O   1 
ATOM   622  C  CB  . ILE A 1 96  ? -0.035  9.310  8.602   1.00 20.04 ? 96  ILE A CB  1 
ATOM   623  C  CG1 . ILE A 1 96  ? 0.415   10.756 8.427   1.00 19.94 ? 96  ILE A CG1 1 
ATOM   624  C  CG2 . ILE A 1 96  ? -1.549  9.199  8.740   1.00 29.01 ? 96  ILE A CG2 1 
ATOM   625  C  CD1 . ILE A 1 96  ? -0.094  11.402 7.174   1.00 23.80 ? 96  ILE A CD1 1 
ATOM   626  N  N   . PRO A 1 97  ? 2.624   7.552  8.895   1.00 18.31 ? 97  PRO A N   1 
ATOM   627  C  CA  . PRO A 1 97  ? 3.970   7.568  8.319   1.00 17.61 ? 97  PRO A CA  1 
ATOM   628  C  C   . PRO A 1 97  ? 4.013   8.568  7.175   1.00 16.12 ? 97  PRO A C   1 
ATOM   629  O  O   . PRO A 1 97  ? 3.068   8.692  6.396   1.00 15.10 ? 97  PRO A O   1 
ATOM   630  C  CB  . PRO A 1 97  ? 4.159   6.132  7.814   1.00 15.81 ? 97  PRO A CB  1 
ATOM   631  C  CG  . PRO A 1 97  ? 2.789   5.630  7.580   1.00 19.87 ? 97  PRO A CG  1 
ATOM   632  C  CD  . PRO A 1 97  ? 1.912   6.296  8.610   1.00 18.08 ? 97  PRO A CD  1 
ATOM   633  N  N   . CYS A 1 98  ? 5.118   9.303  7.080   1.00 14.68 ? 98  CYS A N   1 
ATOM   634  C  CA  . CYS A 1 98  ? 5.220   10.284 6.004   1.00 15.72 ? 98  CYS A CA  1 
ATOM   635  C  C   . CYS A 1 98  ? 5.082   9.646  4.628   1.00 14.94 ? 98  CYS A C   1 
ATOM   636  O  O   . CYS A 1 98  ? 4.584   10.284 3.697   1.00 14.68 ? 98  CYS A O   1 
ATOM   637  C  CB  . CYS A 1 98  ? 6.528   11.053 6.110   1.00 13.46 ? 98  CYS A CB  1 
ATOM   638  S  SG  . CYS A 1 98  ? 6.684   12.023 7.623   1.00 14.50 ? 98  CYS A SG  1 
ATOM   639  N  N   . SER A 1 99  ? 5.502   8.386  4.481   1.00 14.26 ? 99  SER A N   1 
ATOM   640  C  CA  . SER A 1 99  ? 5.378   7.706  3.197   1.00 16.05 ? 99  SER A CA  1 
ATOM   641  C  C   . SER A 1 99  ? 3.932   7.621  2.723   1.00 17.01 ? 99  SER A C   1 
ATOM   642  O  O   . SER A 1 99  ? 3.687   7.585  1.515   1.00 17.03 ? 99  SER A O   1 
ATOM   643  C  CB  . SER A 1 99  ? 5.988   6.306  3.288   1.00 16.52 ? 99  SER A CB  1 
ATOM   644  O  OG  . SER A 1 99  ? 5.294   5.523  4.250   1.00 17.18 ? 99  SER A OG  1 
ATOM   645  N  N   . ALA A 1 100 ? 2.963   7.589  3.646   1.00 16.59 ? 100 ALA A N   1 
ATOM   646  C  CA  . ALA A 1 100 ? 1.562   7.556  3.245   1.00 18.27 ? 100 ALA A CA  1 
ATOM   647  C  C   . ALA A 1 100 ? 1.154   8.813  2.494   1.00 18.53 ? 100 ALA A C   1 
ATOM   648  O  O   . ALA A 1 100 ? 0.147   8.798  1.775   1.00 18.09 ? 100 ALA A O   1 
ATOM   649  C  CB  . ALA A 1 100 ? 0.665   7.372  4.466   1.00 21.32 ? 100 ALA A CB  1 
ATOM   650  N  N   . LEU A 1 101 ? 1.906   9.897  2.657   1.00 16.08 ? 101 LEU A N   1 
ATOM   651  C  CA  . LEU A 1 101 ? 1.665   11.141 1.948   1.00 15.06 ? 101 LEU A CA  1 
ATOM   652  C  C   . LEU A 1 101 ? 2.264   11.146 0.552   1.00 16.81 ? 101 LEU A C   1 
ATOM   653  O  O   . LEU A 1 101 ? 2.182   12.166 -0.136  1.00 15.90 ? 101 LEU A O   1 
ATOM   654  C  CB  . LEU A 1 101 ? 2.249   12.302 2.752   1.00 15.94 ? 101 LEU A CB  1 
ATOM   655  C  CG  . LEU A 1 101 ? 1.695   12.473 4.156   1.00 16.33 ? 101 LEU A CG  1 
ATOM   656  C  CD1 . LEU A 1 101 ? 2.542   13.462 4.941   1.00 18.88 ? 101 LEU A CD1 1 
ATOM   657  C  CD2 . LEU A 1 101 ? 0.261   12.960 4.063   1.00 21.18 ? 101 LEU A CD2 1 
ATOM   658  N  N   . LEU A 1 102 ? 2.885   10.051 0.126   1.00 15.17 ? 102 LEU A N   1 
ATOM   659  C  CA  . LEU A 1 102 ? 3.450   9.947  -1.210  1.00 14.89 ? 102 LEU A CA  1 
ATOM   660  C  C   . LEU A 1 102 ? 2.618   9.055  -2.118  1.00 18.10 ? 102 LEU A C   1 
ATOM   661  O  O   . LEU A 1 102 ? 2.957   8.893  -3.296  1.00 17.29 ? 102 LEU A O   1 
ATOM   662  C  CB  . LEU A 1 102 ? 4.892   9.428  -1.130  1.00 15.98 ? 102 LEU A CB  1 
ATOM   663  C  CG  . LEU A 1 102 ? 5.832   10.226 -0.232  1.00 14.38 ? 102 LEU A CG  1 
ATOM   664  C  CD1 . LEU A 1 102 ? 7.216   9.608  -0.239  1.00 17.14 ? 102 LEU A CD1 1 
ATOM   665  C  CD2 . LEU A 1 102 ? 5.926   11.693 -0.665  1.00 15.33 ? 102 LEU A CD2 1 
ATOM   666  N  N   A SER A 1 103 ? 1.531   8.489  -1.606  0.55 15.49 ? 103 SER A N   1 
ATOM   667  N  N   B SER A 1 103 ? 1.527   8.495  -1.610  0.45 15.52 ? 103 SER A N   1 
ATOM   668  C  CA  A SER A 1 103 ? 0.732   7.532  -2.350  0.55 16.29 ? 103 SER A CA  1 
ATOM   669  C  CA  B SER A 1 103 ? 0.732   7.542  -2.363  0.45 16.32 ? 103 SER A CA  1 
ATOM   670  C  C   A SER A 1 103 ? 0.024   8.204  -3.523  0.55 18.04 ? 103 SER A C   1 
ATOM   671  C  C   B SER A 1 103 ? 0.041   8.214  -3.545  0.45 18.03 ? 103 SER A C   1 
ATOM   672  O  O   A SER A 1 103 ? -0.252  9.407  -3.517  0.55 16.90 ? 103 SER A O   1 
ATOM   673  O  O   B SER A 1 103 ? -0.212  9.422  -3.555  0.45 16.94 ? 103 SER A O   1 
ATOM   674  C  CB  A SER A 1 103 ? -0.315  6.911  -1.428  0.55 19.33 ? 103 SER A CB  1 
ATOM   675  C  CB  B SER A 1 103 ? -0.336  6.934  -1.461  0.45 19.30 ? 103 SER A CB  1 
ATOM   676  O  OG  A SER A 1 103 ? -1.012  7.911  -0.707  0.55 20.13 ? 103 SER A OG  1 
ATOM   677  O  OG  B SER A 1 103 ? -1.276  6.210  -2.229  0.45 17.05 ? 103 SER A OG  1 
ATOM   678  N  N   A SER A 1 104 ? -0.292  7.395  -4.537  0.55 17.13 ? 104 SER A N   1 
ATOM   679  N  N   B SER A 1 104 ? -0.290  7.397  -4.549  0.45 17.15 ? 104 SER A N   1 
ATOM   680  C  CA  A SER A 1 104 ? -1.077  7.900  -5.658  0.55 17.63 ? 104 SER A CA  1 
ATOM   681  C  CA  B SER A 1 104 ? -1.089  7.890  -5.666  0.45 17.66 ? 104 SER A CA  1 
ATOM   682  C  C   A SER A 1 104 ? -2.480  8.299  -5.221  0.55 18.15 ? 104 SER A C   1 
ATOM   683  C  C   B SER A 1 104 ? -2.477  8.312  -5.210  0.45 18.19 ? 104 SER A C   1 
ATOM   684  O  O   A SER A 1 104 ? -3.098  9.169  -5.845  0.55 21.40 ? 104 SER A O   1 
ATOM   685  O  O   B SER A 1 104 ? -3.084  9.207  -5.810  0.45 21.35 ? 104 SER A O   1 
ATOM   686  C  CB  A SER A 1 104 ? -1.128  6.864  -6.781  0.55 21.94 ? 104 SER A CB  1 
ATOM   687  C  CB  B SER A 1 104 ? -1.186  6.826  -6.758  0.45 21.92 ? 104 SER A CB  1 
ATOM   688  O  OG  A SER A 1 104 ? -1.682  5.647  -6.321  0.55 22.31 ? 104 SER A OG  1 
ATOM   689  O  OG  B SER A 1 104 ? 0.079   6.596  -7.346  0.45 23.79 ? 104 SER A OG  1 
ATOM   690  N  N   . ASP A 1 105 ? -2.989  7.692  -4.152  1.00 16.12 ? 105 ASP A N   1 
ATOM   691  C  CA  . ASP A 1 105 ? -4.276  8.059  -3.571  1.00 17.58 ? 105 ASP A CA  1 
ATOM   692  C  C   . ASP A 1 105 ? -4.038  9.205  -2.593  1.00 16.78 ? 105 ASP A C   1 
ATOM   693  O  O   . ASP A 1 105 ? -3.271  9.059  -1.638  1.00 16.38 ? 105 ASP A O   1 
ATOM   694  C  CB  . ASP A 1 105 ? -4.851  6.844  -2.836  1.00 20.90 ? 105 ASP A CB  1 
ATOM   695  C  CG  . ASP A 1 105 ? -6.263  7.066  -2.333  1.00 24.35 ? 105 ASP A CG  1 
ATOM   696  O  OD1 . ASP A 1 105 ? -6.559  8.140  -1.780  1.00 23.06 ? 105 ASP A OD1 1 
ATOM   697  O  OD2 . ASP A 1 105 ? -7.094  6.149  -2.486  1.00 33.25 ? 105 ASP A OD2 1 
ATOM   698  N  N   . ILE A 1 106 ? -4.741  10.325 -2.793  1.00 15.93 ? 106 ILE A N   1 
ATOM   699  C  CA  . ILE A 1 106 ? -4.453  11.525 -2.009  1.00 15.35 ? 106 ILE A CA  1 
ATOM   700  C  C   . ILE A 1 106 ? -5.159  11.567 -0.664  1.00 16.08 ? 106 ILE A C   1 
ATOM   701  O  O   . ILE A 1 106 ? -5.017  12.567 0.047   1.00 15.79 ? 106 ILE A O   1 
ATOM   702  C  CB  . ILE A 1 106 ? -4.731  12.832 -2.778  1.00 14.04 ? 106 ILE A CB  1 
ATOM   703  C  CG1 . ILE A 1 106 ? -6.229  13.002 -3.046  1.00 16.79 ? 106 ILE A CG1 1 
ATOM   704  C  CG2 . ILE A 1 106 ? -3.920  12.867 -4.065  1.00 19.90 ? 106 ILE A CG2 1 
ATOM   705  C  CD1 . ILE A 1 106 ? -6.566  14.404 -3.535  1.00 18.37 ? 106 ILE A CD1 1 
ATOM   706  N  N   . THR A 1 107 ? -5.896  10.513 -0.287  1.00 17.06 ? 107 THR A N   1 
ATOM   707  C  CA  . THR A 1 107 ? -6.706  10.543 0.933   1.00 15.80 ? 107 THR A CA  1 
ATOM   708  C  C   . THR A 1 107 ? -5.901  10.984 2.152   1.00 17.79 ? 107 THR A C   1 
ATOM   709  O  O   . THR A 1 107 ? -6.312  11.891 2.883   1.00 16.77 ? 107 THR A O   1 
ATOM   710  C  CB  . THR A 1 107 ? -7.346  9.175  1.180   1.00 19.65 ? 107 THR A CB  1 
ATOM   711  O  OG1 . THR A 1 107 ? -8.158  8.825  0.053   1.00 18.76 ? 107 THR A OG1 1 
ATOM   712  C  CG2 . THR A 1 107 ? -8.193  9.202  2.443   1.00 20.53 ? 107 THR A CG2 1 
ATOM   713  N  N   . ALA A 1 108 ? -4.754  10.347 2.397   1.00 17.05 ? 108 ALA A N   1 
ATOM   714  C  CA  . ALA A 1 108 ? -3.983  10.673 3.592   1.00 17.04 ? 108 ALA A CA  1 
ATOM   715  C  C   . ALA A 1 108 ? -3.519  12.123 3.571   1.00 15.46 ? 108 ALA A C   1 
ATOM   716  O  O   . ALA A 1 108 ? -3.590  12.821 4.591   1.00 15.72 ? 108 ALA A O   1 
ATOM   717  C  CB  . ALA A 1 108 ? -2.798  9.719  3.734   1.00 17.06 ? 108 ALA A CB  1 
ATOM   718  N  N   . SER A 1 109 ? -3.039  12.595 2.416   1.00 14.95 ? 109 SER A N   1 
ATOM   719  C  CA  . SER A 1 109 ? -2.606  13.985 2.309   1.00 13.92 ? 109 SER A CA  1 
ATOM   720  C  C   . SER A 1 109 ? -3.754  14.943 2.585   1.00 14.37 ? 109 SER A C   1 
ATOM   721  O  O   . SER A 1 109 ? -3.574  15.942 3.287   1.00 14.48 ? 109 SER A O   1 
ATOM   722  C  CB  . SER A 1 109 ? -2.010  14.258 0.928   1.00 14.55 ? 109 SER A CB  1 
ATOM   723  O  OG  . SER A 1 109 ? -0.651  13.831 0.856   1.00 14.74 ? 109 SER A OG  1 
ATOM   724  N  N   . VAL A 1 110 ? -4.938  14.658 2.039   1.00 14.67 ? 110 VAL A N   1 
ATOM   725  C  CA  . VAL A 1 110 ? -6.092  15.525 2.267   1.00 13.78 ? 110 VAL A CA  1 
ATOM   726  C  C   . VAL A 1 110 ? -6.478  15.523 3.737   1.00 16.46 ? 110 VAL A C   1 
ATOM   727  O  O   . VAL A 1 110 ? -6.724  16.579 4.330   1.00 16.07 ? 110 VAL A O   1 
ATOM   728  C  CB  . VAL A 1 110 ? -7.268  15.101 1.372   1.00 16.18 ? 110 VAL A CB  1 
ATOM   729  C  CG1 . VAL A 1 110 ? -8.539  15.846 1.790   1.00 16.89 ? 110 VAL A CG1 1 
ATOM   730  C  CG2 . VAL A 1 110 ? -6.938  15.372 -0.083  1.00 16.26 ? 110 VAL A CG2 1 
ATOM   731  N  N   . ASN A 1 111 ? -6.580  14.337 4.340   1.00 15.65 ? 111 ASN A N   1 
ATOM   732  C  CA  . ASN A 1 111 ? -6.976  14.267 5.741   1.00 17.58 ? 111 ASN A CA  1 
ATOM   733  C  C   . ASN A 1 111 ? -6.006  15.039 6.617   1.00 16.41 ? 111 ASN A C   1 
ATOM   734  O  O   . ASN A 1 111 ? -6.412  15.733 7.552   1.00 16.81 ? 111 ASN A O   1 
ATOM   735  C  CB  . ASN A 1 111 ? -7.073  12.811 6.201   1.00 21.15 ? 111 ASN A CB  1 
ATOM   736  C  CG  . ASN A 1 111 ? -8.331  12.127 5.710   1.00 28.43 ? 111 ASN A CG  1 
ATOM   737  O  OD1 . ASN A 1 111 ? -9.184  12.750 5.080   1.00 32.89 ? 111 ASN A OD1 1 
ATOM   738  N  ND2 . ASN A 1 111 ? -8.446  10.834 5.986   1.00 36.95 ? 111 ASN A ND2 1 
ATOM   739  N  N   . CYS A 1 112 ? -4.714  14.933 6.323   1.00 15.71 ? 112 CYS A N   1 
ATOM   740  C  CA  . CYS A 1 112 ? -3.738  15.656 7.118   1.00 15.71 ? 112 CYS A CA  1 
ATOM   741  C  C   . CYS A 1 112 ? -3.789  17.153 6.833   1.00 14.99 ? 112 CYS A C   1 
ATOM   742  O  O   . CYS A 1 112 ? -3.704  17.969 7.759   1.00 15.85 ? 112 CYS A O   1 
ATOM   743  C  CB  . CYS A 1 112 ? -2.354  15.067 6.859   1.00 14.66 ? 112 CYS A CB  1 
ATOM   744  S  SG  . CYS A 1 112 ? -1.078  15.722 7.909   1.00 16.50 ? 112 CYS A SG  1 
ATOM   745  N  N   . ALA A 1 113 ? -3.932  17.532 5.562   1.00 13.95 ? 113 ALA A N   1 
ATOM   746  C  CA  . ALA A 1 113 ? -4.060  18.948 5.226   1.00 13.57 ? 113 ALA A CA  1 
ATOM   747  C  C   . ALA A 1 113 ? -5.239  19.599 5.938   1.00 14.38 ? 113 ALA A C   1 
ATOM   748  O  O   . ALA A 1 113 ? -5.164  20.785 6.294   1.00 15.04 ? 113 ALA A O   1 
ATOM   749  C  CB  . ALA A 1 113 ? -4.213  19.119 3.718   1.00 15.61 ? 113 ALA A CB  1 
ATOM   750  N  N   . LYS A 1 114 ? -6.335  18.854 6.141   1.00 14.37 ? 114 LYS A N   1 
ATOM   751  C  CA  . LYS A 1 114 ? -7.478  19.396 6.871   1.00 15.66 ? 114 LYS A CA  1 
ATOM   752  C  C   . LYS A 1 114 ? -7.095  19.754 8.298   1.00 16.91 ? 114 LYS A C   1 
ATOM   753  O  O   . LYS A 1 114 ? -7.532  20.786 8.820   1.00 17.48 ? 114 LYS A O   1 
ATOM   754  C  CB  . LYS A 1 114 ? -8.639  18.401 6.851   1.00 15.17 ? 114 LYS A CB  1 
ATOM   755  C  CG  . LYS A 1 114 ? -9.344  18.309 5.514   1.00 15.08 ? 114 LYS A CG  1 
ATOM   756  C  CD  . LYS A 1 114 ? -10.458 17.270 5.547   1.00 17.35 ? 114 LYS A CD  1 
ATOM   757  C  CE  . LYS A 1 114 ? -11.171 17.187 4.213   1.00 17.53 ? 114 LYS A CE  1 
ATOM   758  N  NZ  . LYS A 1 114 ? -12.224 16.119 4.234   1.00 20.81 ? 114 LYS A NZ  1 
ATOM   759  N  N   . LYS A 1 115 ? -6.274  18.924 8.946   1.00 17.17 ? 115 LYS A N   1 
ATOM   760  C  CA  . LYS A 1 115 ? -5.788  19.266 10.278  1.00 18.20 ? 115 LYS A CA  1 
ATOM   761  C  C   . LYS A 1 115 ? -4.878  20.488 10.241  1.00 16.71 ? 115 LYS A C   1 
ATOM   762  O  O   . LYS A 1 115 ? -4.990  21.378 11.097  1.00 16.70 ? 115 LYS A O   1 
ATOM   763  C  CB  . LYS A 1 115 ? -5.072  18.068 10.905  1.00 17.59 ? 115 LYS A CB  1 
ATOM   764  C  CG  . LYS A 1 115 ? -5.987  16.899 11.196  1.00 25.50 ? 115 LYS A CG  1 
ATOM   765  C  CD  . LYS A 1 115 ? -5.225  15.754 11.833  1.00 27.78 ? 115 LYS A CD  1 
ATOM   766  C  CE  . LYS A 1 115 ? -6.170  14.648 12.269  1.00 35.01 ? 115 LYS A CE  1 
ATOM   767  N  NZ  . LYS A 1 115 ? -7.001  14.143 11.141  1.00 38.56 ? 115 LYS A NZ  1 
ATOM   768  N  N   . ILE A 1 116 ? -3.974  20.548 9.260   1.00 15.57 ? 116 ILE A N   1 
ATOM   769  C  CA  . ILE A 1 116 ? -3.026  21.655 9.175   1.00 14.29 ? 116 ILE A CA  1 
ATOM   770  C  C   . ILE A 1 116 ? -3.765  22.978 9.016   1.00 15.38 ? 116 ILE A C   1 
ATOM   771  O  O   . ILE A 1 116 ? -3.530  23.938 9.762   1.00 17.01 ? 116 ILE A O   1 
ATOM   772  C  CB  . ILE A 1 116 ? -2.027  21.423 8.027   1.00 14.20 ? 116 ILE A CB  1 
ATOM   773  C  CG1 . ILE A 1 116 ? -1.207  20.160 8.280   1.00 15.29 ? 116 ILE A CG1 1 
ATOM   774  C  CG2 . ILE A 1 116 ? -1.141  22.625 7.855   1.00 17.70 ? 116 ILE A CG2 1 
ATOM   775  C  CD1 . ILE A 1 116 ? -0.379  19.745 7.073   1.00 17.09 ? 116 ILE A CD1 1 
ATOM   776  N  N   . VAL A 1 117 ? -4.677  23.047 8.042   1.00 14.84 ? 117 VAL A N   1 
ATOM   777  C  CA  . VAL A 1 117 ? -5.377  24.292 7.754   1.00 15.48 ? 117 VAL A CA  1 
ATOM   778  C  C   . VAL A 1 117 ? -6.318  24.700 8.875   1.00 17.04 ? 117 VAL A C   1 
ATOM   779  O  O   . VAL A 1 117 ? -6.784  25.848 8.894   1.00 17.20 ? 117 VAL A O   1 
ATOM   780  C  CB  . VAL A 1 117 ? -6.074  24.159 6.386   1.00 14.68 ? 117 VAL A CB  1 
ATOM   781  C  CG1 . VAL A 1 117 ? -7.324  23.327 6.527   1.00 14.41 ? 117 VAL A CG1 1 
ATOM   782  C  CG2 . VAL A 1 117 ? -6.397  25.532 5.795   1.00 15.90 ? 117 VAL A CG2 1 
ATOM   783  N  N   . SER A 1 118 ? -6.584  23.805 9.824   1.00 17.21 ? 118 SER A N   1 
ATOM   784  C  CA  . SER A 1 118 ? -7.422  24.102 10.980  1.00 17.18 ? 118 SER A CA  1 
ATOM   785  C  C   . SER A 1 118 ? -6.635  24.548 12.207  1.00 19.36 ? 118 SER A C   1 
ATOM   786  O  O   . SER A 1 118 ? -7.250  24.820 13.242  1.00 23.35 ? 118 SER A O   1 
ATOM   787  C  CB  . SER A 1 118 ? -8.267  22.879 11.358  1.00 18.35 ? 118 SER A CB  1 
ATOM   788  O  OG  . SER A 1 118 ? -9.067  22.437 10.282  1.00 20.71 ? 118 SER A OG  1 
ATOM   789  N  N   . ASP A 1 119 ? -5.306  24.619 12.138  1.00 19.71 ? 119 ASP A N   1 
ATOM   790  C  CA  . ASP A 1 119 ? -4.512  24.855 13.341  1.00 20.12 ? 119 ASP A CA  1 
ATOM   791  C  C   . ASP A 1 119 ? -4.424  26.321 13.752  1.00 24.96 ? 119 ASP A C   1 
ATOM   792  O  O   . ASP A 1 119 ? -3.792  26.624 14.770  1.00 27.09 ? 119 ASP A O   1 
ATOM   793  C  CB  . ASP A 1 119 ? -3.129  24.184 13.256  1.00 24.56 ? 119 ASP A CB  1 
ATOM   794  C  CG  . ASP A 1 119 ? -2.144  24.915 12.346  1.00 26.81 ? 119 ASP A CG  1 
ATOM   795  O  OD1 . ASP A 1 119 ? -2.412  26.049 11.894  1.00 27.19 ? 119 ASP A OD1 1 
ATOM   796  O  OD2 . ASP A 1 119 ? -1.068  24.335 12.085  1.00 26.15 ? 119 ASP A OD2 1 
ATOM   797  N  N   . GLY A 1 120 ? -5.027  27.237 12.987  1.00 22.41 ? 120 GLY A N   1 
ATOM   798  C  CA  . GLY A 1 120 ? -5.109  28.643 13.343  1.00 22.33 ? 120 GLY A CA  1 
ATOM   799  C  C   . GLY A 1 120 ? -4.544  29.573 12.291  1.00 25.18 ? 120 GLY A C   1 
ATOM   800  O  O   . GLY A 1 120 ? -4.942  30.740 12.219  1.00 20.84 ? 120 GLY A O   1 
ATOM   801  N  N   . ASN A 1 121 ? -3.611  29.083 11.474  1.00 20.76 ? 121 ASN A N   1 
ATOM   802  C  CA  . ASN A 1 121 ? -2.960  29.898 10.464  1.00 20.84 ? 121 ASN A CA  1 
ATOM   803  C  C   . ASN A 1 121 ? -3.558  29.732 9.077   1.00 16.17 ? 121 ASN A C   1 
ATOM   804  O  O   . ASN A 1 121 ? -3.062  30.349 8.130   1.00 17.34 ? 121 ASN A O   1 
ATOM   805  C  CB  . ASN A 1 121 ? -1.452  29.625 10.438  1.00 25.14 ? 121 ASN A CB  1 
ATOM   806  C  CG  . ASN A 1 121 ? -0.735  30.232 11.628  1.00 37.59 ? 121 ASN A CG  1 
ATOM   807  O  OD1 . ASN A 1 121 ? -1.151  30.061 12.774  1.00 44.27 ? 121 ASN A OD1 1 
ATOM   808  N  ND2 . ASN A 1 121 ? 0.340   30.962 11.358  1.00 40.56 ? 121 ASN A ND2 1 
ATOM   809  N  N   . GLY A 1 122 ? -4.627  28.952 8.938   1.00 16.42 ? 122 GLY A N   1 
ATOM   810  C  CA  . GLY A 1 122 ? -5.234  28.778 7.631   1.00 15.45 ? 122 GLY A CA  1 
ATOM   811  C  C   . GLY A 1 122 ? -4.226  28.231 6.641   1.00 15.72 ? 122 GLY A C   1 
ATOM   812  O  O   . GLY A 1 122 ? -3.354  27.425 6.988   1.00 16.47 ? 122 GLY A O   1 
ATOM   813  N  N   . MET A 1 123 ? -4.318  28.687 5.395   1.00 13.35 ? 123 MET A N   1 
ATOM   814  C  CA  . MET A 1 123 ? -3.404  28.175 4.376   1.00 13.34 ? 123 MET A CA  1 
ATOM   815  C  C   . MET A 1 123 ? -2.033  28.835 4.411   1.00 14.70 ? 123 MET A C   1 
ATOM   816  O  O   . MET A 1 123 ? -1.154  28.442 3.635   1.00 14.00 ? 123 MET A O   1 
ATOM   817  C  CB  . MET A 1 123 ? -4.013  28.267 2.978   1.00 13.01 ? 123 MET A CB  1 
ATOM   818  C  CG  . MET A 1 123 ? -5.108  27.240 2.766   1.00 14.09 ? 123 MET A CG  1 
ATOM   819  S  SD  . MET A 1 123 ? -5.604  26.986 1.057   1.00 14.05 ? 123 MET A SD  1 
ATOM   820  C  CE  . MET A 1 123 ? -4.171  26.098 0.485   1.00 14.39 ? 123 MET A CE  1 
ATOM   821  N  N   . ASN A 1 124 ? -1.819  29.807 5.297   1.00 14.53 ? 124 ASN A N   1 
ATOM   822  C  CA  . ASN A 1 124 ? -0.477  30.340 5.477   1.00 16.24 ? 124 ASN A CA  1 
ATOM   823  C  C   . ASN A 1 124 ? 0.509   29.281 5.938   1.00 15.85 ? 124 ASN A C   1 
ATOM   824  O  O   . ASN A 1 124 ? 1.717   29.525 5.875   1.00 17.08 ? 124 ASN A O   1 
ATOM   825  C  CB  . ASN A 1 124 ? -0.503  31.521 6.443   1.00 15.80 ? 124 ASN A CB  1 
ATOM   826  C  CG  . ASN A 1 124 ? -1.336  32.660 5.918   1.00 17.23 ? 124 ASN A CG  1 
ATOM   827  O  OD1 . ASN A 1 124 ? -1.003  33.260 4.904   1.00 16.23 ? 124 ASN A OD1 1 
ATOM   828  N  ND2 . ASN A 1 124 ? -2.454  32.936 6.586   1.00 18.66 ? 124 ASN A ND2 1 
ATOM   829  N  N   . ALA A 1 125 ? 0.031   28.114 6.383   1.00 17.28 ? 125 ALA A N   1 
ATOM   830  C  CA  . ALA A 1 125 ? 0.923   27.002 6.690   1.00 17.40 ? 125 ALA A CA  1 
ATOM   831  C  C   . ALA A 1 125 ? 1.728   26.560 5.474   1.00 16.61 ? 125 ALA A C   1 
ATOM   832  O  O   . ALA A 1 125 ? 2.788   25.946 5.635   1.00 18.48 ? 125 ALA A O   1 
ATOM   833  C  CB  . ALA A 1 125 ? 0.125   25.819 7.231   1.00 19.59 ? 125 ALA A CB  1 
ATOM   834  N  N   . TRP A 1 126 ? 1.258   26.863 4.267   1.00 14.03 ? 126 TRP A N   1 
ATOM   835  C  CA  . TRP A 1 126 ? 1.959   26.526 3.034   1.00 15.73 ? 126 TRP A CA  1 
ATOM   836  C  C   . TRP A 1 126 ? 2.586   27.801 2.491   1.00 17.95 ? 126 TRP A C   1 
ATOM   837  O  O   . TRP A 1 126 ? 1.888   28.666 1.951   1.00 15.24 ? 126 TRP A O   1 
ATOM   838  C  CB  . TRP A 1 126 ? 1.000   25.900 2.027   1.00 15.61 ? 126 TRP A CB  1 
ATOM   839  C  CG  . TRP A 1 126 ? 0.580   24.531 2.427   1.00 14.35 ? 126 TRP A CG  1 
ATOM   840  C  CD1 . TRP A 1 126 ? 1.280   23.382 2.223   1.00 14.56 ? 126 TRP A CD1 1 
ATOM   841  C  CD2 . TRP A 1 126 ? -0.603  24.155 3.140   1.00 14.44 ? 126 TRP A CD2 1 
ATOM   842  N  NE1 . TRP A 1 126 ? 0.602   22.316 2.742   1.00 17.05 ? 126 TRP A NE1 1 
ATOM   843  C  CE2 . TRP A 1 126 ? -0.562  22.760 3.308   1.00 14.45 ? 126 TRP A CE2 1 
ATOM   844  C  CE3 . TRP A 1 126 ? -1.705  24.861 3.633   1.00 15.21 ? 126 TRP A CE3 1 
ATOM   845  C  CZ2 . TRP A 1 126 ? -1.564  22.058 3.956   1.00 14.27 ? 126 TRP A CZ2 1 
ATOM   846  C  CZ3 . TRP A 1 126 ? -2.706  24.164 4.275   1.00 15.38 ? 126 TRP A CZ3 1 
ATOM   847  C  CH2 . TRP A 1 126 ? -2.630  22.773 4.432   1.00 14.54 ? 126 TRP A CH2 1 
ATOM   848  N  N   . VAL A 1 127 ? 3.902   27.906 2.645   1.00 19.13 ? 127 VAL A N   1 
ATOM   849  C  CA  . VAL A 1 127 ? 4.615   29.109 2.233   1.00 17.83 ? 127 VAL A CA  1 
ATOM   850  C  C   . VAL A 1 127 ? 4.397   29.388 0.752   1.00 15.70 ? 127 VAL A C   1 
ATOM   851  O  O   . VAL A 1 127 ? 4.234   30.544 0.345   1.00 16.47 ? 127 VAL A O   1 
ATOM   852  C  CB  . VAL A 1 127 ? 6.109   28.985 2.594   1.00 22.40 ? 127 VAL A CB  1 
ATOM   853  C  CG1 . VAL A 1 127 ? 6.880   30.204 2.128   1.00 22.46 ? 127 VAL A CG1 1 
ATOM   854  C  CG2 . VAL A 1 127 ? 6.276   28.796 4.094   1.00 28.19 ? 127 VAL A CG2 1 
ATOM   855  N  N   . ALA A 1 128 ? 4.380   28.344 -0.073  1.00 16.46 ? 128 ALA A N   1 
ATOM   856  C  CA  . ALA A 1 128 ? 4.177   28.548 -1.503  1.00 16.51 ? 128 ALA A CA  1 
ATOM   857  C  C   . ALA A 1 128 ? 2.780   29.082 -1.790  1.00 14.37 ? 128 ALA A C   1 
ATOM   858  O  O   . ALA A 1 128 ? 2.600   29.866 -2.727  1.00 15.43 ? 128 ALA A O   1 
ATOM   859  C  CB  . ALA A 1 128 ? 4.444   27.269 -2.297  1.00 19.61 ? 128 ALA A CB  1 
ATOM   860  N  N   . TRP A 1 129 ? 1.774   28.653 -1.020  1.00 14.19 ? 129 TRP A N   1 
ATOM   861  C  CA  . TRP A 1 129 ? 0.450   29.261 -1.157  1.00 14.02 ? 129 TRP A CA  1 
ATOM   862  C  C   . TRP A 1 129 ? 0.496   30.746 -0.830  1.00 14.16 ? 129 TRP A C   1 
ATOM   863  O  O   . TRP A 1 129 ? -0.011  31.578 -1.594  1.00 13.62 ? 129 TRP A O   1 
ATOM   864  C  CB  . TRP A 1 129 ? -0.589  28.548 -0.283  1.00 14.28 ? 129 TRP A CB  1 
ATOM   865  C  CG  . TRP A 1 129 ? -1.930  29.218 -0.365  1.00 13.52 ? 129 TRP A CG  1 
ATOM   866  C  CD1 . TRP A 1 129 ? -2.893  29.013 -1.319  1.00 13.11 ? 129 TRP A CD1 1 
ATOM   867  C  CD2 . TRP A 1 129 ? -2.444  30.226 0.517   1.00 12.77 ? 129 TRP A CD2 1 
ATOM   868  N  NE1 . TRP A 1 129 ? -3.975  29.837 -1.079  1.00 13.46 ? 129 TRP A NE1 1 
ATOM   869  C  CE2 . TRP A 1 129 ? -3.724  30.583 0.043   1.00 13.23 ? 129 TRP A CE2 1 
ATOM   870  C  CE3 . TRP A 1 129 ? -1.952  30.855 1.669   1.00 13.99 ? 129 TRP A CE3 1 
ATOM   871  C  CZ2 . TRP A 1 129 ? -4.517  31.527 0.680   1.00 15.16 ? 129 TRP A CZ2 1 
ATOM   872  C  CZ3 . TRP A 1 129 ? -2.744  31.795 2.298   1.00 14.95 ? 129 TRP A CZ3 1 
ATOM   873  C  CH2 . TRP A 1 129 ? -4.011  32.130 1.797   1.00 16.00 ? 129 TRP A CH2 1 
ATOM   874  N  N   . ARG A 1 130 ? 1.095   31.101 0.309   1.00 13.87 ? 130 ARG A N   1 
ATOM   875  C  CA  . ARG A 1 130 ? 1.150   32.505 0.697   1.00 16.18 ? 130 ARG A CA  1 
ATOM   876  C  C   . ARG A 1 130 ? 1.864   33.348 -0.350  1.00 16.58 ? 130 ARG A C   1 
ATOM   877  O  O   . ARG A 1 130 ? 1.430   34.460 -0.668  1.00 16.29 ? 130 ARG A O   1 
ATOM   878  C  CB  . ARG A 1 130 ? 1.834   32.655 2.058   1.00 19.44 ? 130 ARG A CB  1 
ATOM   879  C  CG  . ARG A 1 130 ? 2.026   34.112 2.451   1.00 25.67 ? 130 ARG A CG  1 
ATOM   880  C  CD  . ARG A 1 130 ? 2.336   34.302 3.931   1.00 28.67 ? 130 ARG A CD  1 
ATOM   881  N  NE  . ARG A 1 130 ? 3.563   33.633 4.347   1.00 33.02 ? 130 ARG A NE  1 
ATOM   882  C  CZ  . ARG A 1 130 ? 4.786   34.063 4.066   1.00 37.50 ? 130 ARG A CZ  1 
ATOM   883  N  NH1 . ARG A 1 130 ? 4.990   35.125 3.299   1.00 28.37 ? 130 ARG A NH1 1 
ATOM   884  N  NH2 . ARG A 1 130 ? 5.833   33.408 4.563   1.00 33.99 ? 130 ARG A NH2 1 
ATOM   885  N  N   . ASN A 1 131 ? 2.954   32.832 -0.909  1.00 13.90 ? 131 ASN A N   1 
ATOM   886  C  CA  . ASN A 1 131 ? 3.785   33.633 -1.797  1.00 16.42 ? 131 ASN A CA  1 
ATOM   887  C  C   . ASN A 1 131 ? 3.344   33.594 -3.250  1.00 16.11 ? 131 ASN A C   1 
ATOM   888  O  O   . ASN A 1 131 ? 3.703   34.498 -4.009  1.00 18.51 ? 131 ASN A O   1 
ATOM   889  C  CB  . ASN A 1 131 ? 5.242   33.181 -1.697  1.00 15.82 ? 131 ASN A CB  1 
ATOM   890  C  CG  . ASN A 1 131 ? 5.871   33.587 -0.395  1.00 17.89 ? 131 ASN A CG  1 
ATOM   891  O  OD1 . ASN A 1 131 ? 5.503   34.607 0.179   1.00 18.78 ? 131 ASN A OD1 1 
ATOM   892  N  ND2 . ASN A 1 131 ? 6.818   32.798 0.084   1.00 17.19 ? 131 ASN A ND2 1 
ATOM   893  N  N   . ARG A 1 132 ? 2.581   32.583 -3.664  1.00 14.98 ? 132 ARG A N   1 
ATOM   894  C  CA  . ARG A 1 132 ? 2.290   32.410 -5.075  1.00 13.96 ? 132 ARG A CA  1 
ATOM   895  C  C   . ARG A 1 132 ? 0.812   32.249 -5.396  1.00 15.81 ? 132 ARG A C   1 
ATOM   896  O  O   . ARG A 1 132 ? 0.449   32.318 -6.576  1.00 16.35 ? 132 ARG A O   1 
ATOM   897  C  CB  . ARG A 1 132 ? 3.093   31.233 -5.648  1.00 14.90 ? 132 ARG A CB  1 
ATOM   898  C  CG  . ARG A 1 132 ? 4.575   31.350 -5.276  1.00 13.27 ? 132 ARG A CG  1 
ATOM   899  C  CD  . ARG A 1 132 ? 5.398   30.186 -5.740  1.00 14.33 ? 132 ARG A CD  1 
ATOM   900  N  NE  . ARG A 1 132 ? 5.552   30.154 -7.185  1.00 12.77 ? 132 ARG A NE  1 
ATOM   901  C  CZ  . ARG A 1 132 ? 6.312   29.271 -7.820  1.00 14.76 ? 132 ARG A CZ  1 
ATOM   902  N  NH1 . ARG A 1 132 ? 6.976   28.337 -7.161  1.00 14.09 ? 132 ARG A NH1 1 
ATOM   903  N  NH2 . ARG A 1 132 ? 6.410   29.327 -9.145  1.00 17.09 ? 132 ARG A NH2 1 
ATOM   904  N  N   . CYS A 1 133 ? -0.043  32.055 -4.403  1.00 13.77 ? 133 CYS A N   1 
ATOM   905  C  CA  . CYS A 1 133 ? -1.472  31.872 -4.632  1.00 13.99 ? 133 CYS A CA  1 
ATOM   906  C  C   . CYS A 1 133 ? -2.314  32.920 -3.934  1.00 13.58 ? 133 CYS A C   1 
ATOM   907  O  O   . CYS A 1 133 ? -3.270  33.438 -4.524  1.00 14.51 ? 133 CYS A O   1 
ATOM   908  C  CB  . CYS A 1 133 ? -1.902  30.487 -4.120  1.00 14.14 ? 133 CYS A CB  1 
ATOM   909  S  SG  . CYS A 1 133 ? -1.033  29.111 -4.868  1.00 13.30 ? 133 CYS A SG  1 
ATOM   910  N  N   . LYS A 1 134 ? -1.997  33.220 -2.682  1.00 13.53 ? 134 LYS A N   1 
ATOM   911  C  CA  . LYS A 1 134 ? -2.790  34.132 -1.874  1.00 15.69 ? 134 LYS A CA  1 
ATOM   912  C  C   . LYS A 1 134 ? -2.919  35.469 -2.583  1.00 16.06 ? 134 LYS A C   1 
ATOM   913  O  O   . LYS A 1 134 ? -1.925  36.056 -3.017  1.00 16.11 ? 134 LYS A O   1 
ATOM   914  C  CB  . LYS A 1 134 ? -2.097  34.310 -0.522  1.00 14.72 ? 134 LYS A CB  1 
ATOM   915  C  CG  . LYS A 1 134 ? -2.829  35.188 0.476   1.00 15.09 ? 134 LYS A CG  1 
ATOM   916  C  CD  . LYS A 1 134 ? -2.010  35.311 1.750   1.00 15.72 ? 134 LYS A CD  1 
ATOM   917  C  CE  . LYS A 1 134 ? -2.805  35.940 2.880   1.00 18.27 ? 134 LYS A CE  1 
ATOM   918  N  NZ  . LYS A 1 134 ? -2.007  35.958 4.140   1.00 18.98 ? 134 LYS A NZ  1 
ATOM   919  N  N   . GLY A 1 135 ? -4.160  35.929 -2.732  1.00 17.71 ? 135 GLY A N   1 
ATOM   920  C  CA  . GLY A 1 135 ? -4.446  37.194 -3.371  1.00 18.41 ? 135 GLY A CA  1 
ATOM   921  C  C   . GLY A 1 135 ? -4.444  37.172 -4.881  1.00 23.83 ? 135 GLY A C   1 
ATOM   922  O  O   . GLY A 1 135 ? -4.669  38.222 -5.496  1.00 25.89 ? 135 GLY A O   1 
ATOM   923  N  N   . THR A 1 136 ? -4.200  36.025 -5.502  1.00 19.14 ? 136 THR A N   1 
ATOM   924  C  CA  . THR A 1 136 ? -4.252  35.896 -6.948  1.00 20.60 ? 136 THR A CA  1 
ATOM   925  C  C   . THR A 1 136 ? -5.596  35.317 -7.363  1.00 17.96 ? 136 THR A C   1 
ATOM   926  O  O   . THR A 1 136 ? -6.421  34.921 -6.535  1.00 17.83 ? 136 THR A O   1 
ATOM   927  C  CB  . THR A 1 136 ? -3.128  34.990 -7.459  1.00 18.85 ? 136 THR A CB  1 
ATOM   928  O  OG1 . THR A 1 136 ? -3.446  33.627 -7.157  1.00 17.19 ? 136 THR A OG1 1 
ATOM   929  C  CG2 . THR A 1 136 ? -1.801  35.362 -6.813  1.00 20.20 ? 136 THR A CG2 1 
ATOM   930  N  N   . ASP A 1 137 ? -5.800  35.260 -8.677  1.00 17.03 ? 137 ASP A N   1 
ATOM   931  C  CA  . ASP A 1 137 ? -7.022  34.702 -9.253  1.00 18.60 ? 137 ASP A CA  1 
ATOM   932  C  C   . ASP A 1 137 ? -6.929  33.180 -9.191  1.00 19.68 ? 137 ASP A C   1 
ATOM   933  O  O   . ASP A 1 137 ? -6.679  32.492 -10.185 1.00 22.72 ? 137 ASP A O   1 
ATOM   934  C  CB  . ASP A 1 137 ? -7.197  35.201 -10.680 1.00 23.92 ? 137 ASP A CB  1 
ATOM   935  C  CG  . ASP A 1 137 ? -8.473  34.707 -11.319 1.00 27.55 ? 137 ASP A CG  1 
ATOM   936  O  OD1 . ASP A 1 137 ? -9.377  34.249 -10.590 1.00 31.03 ? 137 ASP A OD1 1 
ATOM   937  O  OD2 . ASP A 1 137 ? -8.568  34.777 -12.560 1.00 28.91 ? 137 ASP A OD2 1 
ATOM   938  N  N   . VAL A 1 138 ? -7.150  32.645 -7.986  1.00 18.92 ? 138 VAL A N   1 
ATOM   939  C  CA  . VAL A 1 138 ? -6.998  31.209 -7.772  1.00 18.42 ? 138 VAL A CA  1 
ATOM   940  C  C   . VAL A 1 138 ? -8.045  30.391 -8.512  1.00 17.39 ? 138 VAL A C   1 
ATOM   941  O  O   . VAL A 1 138 ? -7.818  29.202 -8.763  1.00 17.78 ? 138 VAL A O   1 
ATOM   942  C  CB  . VAL A 1 138 ? -6.982  30.832 -6.280  1.00 18.62 ? 138 VAL A CB  1 
ATOM   943  C  CG1 . VAL A 1 138 ? -5.757  31.422 -5.594  1.00 20.64 ? 138 VAL A CG1 1 
ATOM   944  C  CG2 . VAL A 1 138 ? -8.259  31.283 -5.605  1.00 19.55 ? 138 VAL A CG2 1 
ATOM   945  N  N   . GLN A 1 139 ? -9.193  30.983 -8.863  1.00 17.94 ? 139 GLN A N   1 
ATOM   946  C  CA  . GLN A 1 139 ? -10.195 30.224 -9.605  1.00 16.89 ? 139 GLN A CA  1 
ATOM   947  C  C   . GLN A 1 139 ? -9.664  29.746 -10.949 1.00 19.52 ? 139 GLN A C   1 
ATOM   948  O  O   . GLN A 1 139 ? -10.154 28.741 -11.478 1.00 19.81 ? 139 GLN A O   1 
ATOM   949  C  CB  . GLN A 1 139 ? -11.471 31.045 -9.797  1.00 21.34 ? 139 GLN A CB  1 
ATOM   950  C  CG  . GLN A 1 139 ? -12.659 30.237 -10.341 1.00 25.47 ? 139 GLN A CG  1 
ATOM   951  C  CD  . GLN A 1 139 ? -12.690 30.152 -11.865 1.00 24.97 ? 139 GLN A CD  1 
ATOM   952  O  OE1 . GLN A 1 139 ? -12.149 31.008 -12.559 1.00 28.00 ? 139 GLN A OE1 1 
ATOM   953  N  NE2 . GLN A 1 139 ? -13.319 29.103 -12.385 1.00 30.26 ? 139 GLN A NE2 1 
ATOM   954  N  N   . ALA A 1 140 ? -8.662  30.435 -11.499 1.00 18.11 ? 140 ALA A N   1 
ATOM   955  C  CA  . ALA A 1 140 ? -8.045  30.010 -12.749 1.00 19.94 ? 140 ALA A CA  1 
ATOM   956  C  C   . ALA A 1 140 ? -7.564  28.567 -12.679 1.00 21.77 ? 140 ALA A C   1 
ATOM   957  O  O   . ALA A 1 140 ? -7.503  27.879 -13.704 1.00 21.21 ? 140 ALA A O   1 
ATOM   958  C  CB  . ALA A 1 140 ? -6.875  30.937 -13.074 1.00 21.81 ? 140 ALA A CB  1 
ATOM   959  N  N   . TRP A 1 141 ? -7.223  28.089 -11.481 1.00 18.66 ? 141 TRP A N   1 
ATOM   960  C  CA  . TRP A 1 141 ? -6.697  26.737 -11.340 1.00 17.25 ? 141 TRP A CA  1 
ATOM   961  C  C   . TRP A 1 141 ? -7.751  25.660 -11.549 1.00 17.64 ? 141 TRP A C   1 
ATOM   962  O  O   . TRP A 1 141 ? -7.394  24.513 -11.829 1.00 19.11 ? 141 TRP A O   1 
ATOM   963  C  CB  . TRP A 1 141 ? -5.985  26.598 -9.994  1.00 19.04 ? 141 TRP A CB  1 
ATOM   964  C  CG  . TRP A 1 141 ? -4.747  27.403 -10.025 1.00 17.80 ? 141 TRP A CG  1 
ATOM   965  C  CD1 . TRP A 1 141 ? -4.549  28.641 -9.488  1.00 18.49 ? 141 TRP A CD1 1 
ATOM   966  C  CD2 . TRP A 1 141 ? -3.548  27.067 -10.718 1.00 18.80 ? 141 TRP A CD2 1 
ATOM   967  N  NE1 . TRP A 1 141 ? -3.278  29.081 -9.774  1.00 20.19 ? 141 TRP A NE1 1 
ATOM   968  C  CE2 . TRP A 1 141 ? -2.644  28.130 -10.531 1.00 18.67 ? 141 TRP A CE2 1 
ATOM   969  C  CE3 . TRP A 1 141 ? -3.143  25.958 -11.466 1.00 19.89 ? 141 TRP A CE3 1 
ATOM   970  C  CZ2 . TRP A 1 141 ? -1.361  28.116 -11.066 1.00 21.68 ? 141 TRP A CZ2 1 
ATOM   971  C  CZ3 . TRP A 1 141 ? -1.868  25.946 -11.995 1.00 18.96 ? 141 TRP A CZ3 1 
ATOM   972  C  CH2 . TRP A 1 141 ? -0.998  27.023 -11.802 1.00 19.18 ? 141 TRP A CH2 1 
ATOM   973  N  N   . ILE A 1 142 ? -9.037  25.999 -11.451 1.00 18.28 ? 142 ILE A N   1 
ATOM   974  C  CA  . ILE A 1 142 ? -10.108 25.046 -11.707 1.00 20.51 ? 142 ILE A CA  1 
ATOM   975  C  C   . ILE A 1 142 ? -10.899 25.386 -12.954 1.00 23.06 ? 142 ILE A C   1 
ATOM   976  O  O   . ILE A 1 142 ? -11.884 24.699 -13.261 1.00 22.12 ? 142 ILE A O   1 
ATOM   977  C  CB  . ILE A 1 142 ? -11.025 24.864 -10.484 1.00 19.96 ? 142 ILE A CB  1 
ATOM   978  C  CG1 . ILE A 1 142 ? -11.657 26.197 -10.082 1.00 20.78 ? 142 ILE A CG1 1 
ATOM   979  C  CG2 . ILE A 1 142 ? -10.240 24.260 -9.320  1.00 21.02 ? 142 ILE A CG2 1 
ATOM   980  C  CD1 . ILE A 1 142 ? -12.857 26.045 -9.160  1.00 25.83 ? 142 ILE A CD1 1 
ATOM   981  N  N   . ARG A 1 143 ? -10.486 26.410 -13.693 1.00 22.59 ? 143 ARG A N   1 
ATOM   982  C  CA  . ARG A 1 143 ? -11.194 26.834 -14.891 1.00 24.09 ? 143 ARG A CA  1 
ATOM   983  C  C   . ARG A 1 143 ? -11.117 25.750 -15.958 1.00 27.20 ? 143 ARG A C   1 
ATOM   984  O  O   . ARG A 1 143 ? -10.064 25.148 -16.180 1.00 25.03 ? 143 ARG A O   1 
ATOM   985  C  CB  . ARG A 1 143 ? -10.546 28.114 -15.412 1.00 28.90 ? 143 ARG A CB  1 
ATOM   986  C  CG  . ARG A 1 143 ? -11.428 28.993 -16.268 1.00 31.12 ? 143 ARG A CG  1 
ATOM   987  C  CD  . ARG A 1 143 ? -10.821 30.386 -16.376 1.00 33.26 ? 143 ARG A CD  1 
ATOM   988  N  NE  . ARG A 1 143 ? -10.876 31.099 -15.105 1.00 31.93 ? 143 ARG A NE  1 
ATOM   989  C  CZ  . ARG A 1 143 ? -10.118 32.141 -14.788 1.00 28.99 ? 143 ARG A CZ  1 
ATOM   990  N  NH1 . ARG A 1 143 ? -9.206  32.613 -15.622 1.00 32.61 ? 143 ARG A NH1 1 
ATOM   991  N  NH2 . ARG A 1 143 ? -10.275 32.719 -13.600 1.00 27.27 ? 143 ARG A NH2 1 
ATOM   992  N  N   . GLY A 1 144 ? -12.245 25.492 -16.618 1.00 23.13 ? 144 GLY A N   1 
ATOM   993  C  CA  . GLY A 1 144 ? -12.303 24.484 -17.650 1.00 24.30 ? 144 GLY A CA  1 
ATOM   994  C  C   . GLY A 1 144 ? -12.593 23.077 -17.173 1.00 25.46 ? 144 GLY A C   1 
ATOM   995  O  O   . GLY A 1 144 ? -12.906 22.215 -18.002 1.00 31.03 ? 144 GLY A O   1 
ATOM   996  N  N   . CYS A 1 145 ? -12.511 22.816 -15.872 1.00 22.06 ? 145 CYS A N   1 
ATOM   997  C  CA  . CYS A 1 145 ? -12.738 21.478 -15.345 1.00 24.44 ? 145 CYS A CA  1 
ATOM   998  C  C   . CYS A 1 145 ? -14.232 21.215 -15.192 1.00 22.70 ? 145 CYS A C   1 
ATOM   999  O  O   . CYS A 1 145 ? -15.010 22.126 -14.906 1.00 25.59 ? 145 CYS A O   1 
ATOM   1000 C  CB  . CYS A 1 145 ? -12.080 21.338 -13.973 1.00 19.77 ? 145 CYS A CB  1 
ATOM   1001 S  SG  . CYS A 1 145 ? -10.331 21.770 -13.908 1.00 20.22 ? 145 CYS A SG  1 
ATOM   1002 N  N   . ARG A 1 146 ? -14.624 19.950 -15.379 1.00 23.33 ? 146 ARG A N   1 
ATOM   1003 C  CA  . ARG A 1 146 ? -16.008 19.513 -15.168 1.00 26.29 ? 146 ARG A CA  1 
ATOM   1004 C  C   . ARG A 1 146 ? -16.152 19.119 -13.706 1.00 25.04 ? 146 ARG A C   1 
ATOM   1005 O  O   . ARG A 1 146 ? -15.884 17.983 -13.318 1.00 33.96 ? 146 ARG A O   1 
ATOM   1006 C  CB  . ARG A 1 146 ? -16.356 18.338 -16.073 1.00 27.89 ? 146 ARG A CB  1 
ATOM   1007 C  CG  . ARG A 1 146 ? -16.638 18.712 -17.502 1.00 26.85 ? 146 ARG A CG  1 
ATOM   1008 C  CD  . ARG A 1 146 ? -16.923 17.482 -18.357 1.00 22.11 ? 146 ARG A CD  1 
ATOM   1009 N  NE  . ARG A 1 146 ? -18.326 17.072 -18.375 1.00 21.74 ? 146 ARG A NE  1 
ATOM   1010 C  CZ  . ARG A 1 146 ? -19.262 17.655 -19.113 1.00 21.90 ? 146 ARG A CZ  1 
ATOM   1011 N  NH1 . ARG A 1 146 ? -19.005 18.742 -19.821 1.00 25.45 ? 146 ARG A NH1 1 
ATOM   1012 N  NH2 . ARG A 1 146 ? -20.482 17.125 -19.155 1.00 22.92 ? 146 ARG A NH2 1 
ATOM   1013 N  N   . LEU A 1 147 ? -16.580 20.072 -12.887 1.00 34.81 ? 147 LEU A N   1 
ATOM   1014 C  CA  . LEU A 1 147 ? -16.706 19.842 -11.456 1.00 39.13 ? 147 LEU A CA  1 
ATOM   1015 C  C   . LEU A 1 147 ? -18.129 20.122 -10.978 1.00 37.57 ? 147 LEU A C   1 
ATOM   1016 O  O   . LEU A 1 147 ? -18.893 20.813 -11.651 1.00 38.89 ? 147 LEU A O   1 
ATOM   1017 C  CB  . LEU A 1 147 ? -15.708 20.719 -10.702 1.00 35.02 ? 147 LEU A CB  1 
ATOM   1018 C  CG  . LEU A 1 147 ? -14.242 20.466 -11.061 1.00 23.53 ? 147 LEU A CG  1 
ATOM   1019 C  CD1 . LEU A 1 147 ? -13.365 21.597 -10.551 1.00 24.26 ? 147 LEU A CD1 1 
ATOM   1020 C  CD2 . LEU A 1 147 ? -13.781 19.132 -10.499 1.00 30.75 ? 147 LEU A CD2 1 
HETATM 1021 CL CL  . CL  B 2 .   ? -8.387  31.301 7.481   1.00 16.88 ? 201 CL  A CL  1 
HETATM 1022 CL CL  . CL  C 2 .   ? -11.609 28.630 -6.708  1.00 20.19 ? 202 CL  A CL  1 
HETATM 1023 CL CL  . CL  D 2 .   ? 11.383  10.991 13.770  1.00 23.14 ? 203 CL  A CL  1 
HETATM 1024 CL CL  . CL  E 2 .   ? -6.931  10.190 -5.289  1.00 22.95 ? 204 CL  A CL  1 
HETATM 1025 NA NA  . NA  F 3 .   ? 7.583   13.685 12.690  1.00 18.91 ? 205 NA  A NA  1 
HETATM 1026 O  O   . HOH G 4 .   ? -14.270 16.569 -12.876 1.00 32.91 ? 301 HOH A O   1 
HETATM 1027 O  O   . HOH G 4 .   ? -12.242 22.868 10.225  1.00 34.85 ? 302 HOH A O   1 
HETATM 1028 O  O   . HOH G 4 .   ? 0.917   10.683 16.855  1.00 35.97 ? 303 HOH A O   1 
HETATM 1029 O  O   . HOH G 4 .   ? 2.328   6.971  -7.400  1.00 24.32 ? 304 HOH A O   1 
HETATM 1030 O  O   . HOH G 4 .   ? -18.704 21.315 -2.946  1.00 33.15 ? 305 HOH A O   1 
HETATM 1031 O  O   . HOH G 4 .   ? -11.267 13.933 5.206   1.00 38.63 ? 306 HOH A O   1 
HETATM 1032 O  O   . HOH G 4 .   ? 5.621   26.144 1.139   1.00 25.80 ? 307 HOH A O   1 
HETATM 1033 O  O   . HOH G 4 .   ? -2.559  26.537 9.467   1.00 28.74 ? 308 HOH A O   1 
HETATM 1034 O  O   . HOH G 4 .   ? -8.020  26.493 14.957  1.00 34.31 ? 309 HOH A O   1 
HETATM 1035 O  O   . HOH G 4 .   ? -9.170  28.366 12.074  1.00 25.42 ? 310 HOH A O   1 
HETATM 1036 O  O   . HOH G 4 .   ? 8.177   19.360 18.471  1.00 42.93 ? 311 HOH A O   1 
HETATM 1037 O  O   . HOH G 4 .   ? 0.573   13.378 -15.389 1.00 34.54 ? 312 HOH A O   1 
HETATM 1038 O  O   . HOH G 4 .   ? -14.461 24.638 -13.055 1.00 34.24 ? 313 HOH A O   1 
HETATM 1039 O  O   . HOH G 4 .   ? 11.879  23.920 12.692  1.00 34.77 ? 314 HOH A O   1 
HETATM 1040 O  O   . HOH G 4 .   ? 9.894   8.126  15.060  1.00 36.37 ? 315 HOH A O   1 
HETATM 1041 O  O   . HOH G 4 .   ? 10.837  12.783 -3.924  1.00 15.78 ? 316 HOH A O   1 
HETATM 1042 O  O   . HOH G 4 .   ? 13.969  6.789  14.299  1.00 30.55 ? 317 HOH A O   1 
HETATM 1043 O  O   . HOH G 4 .   ? 13.305  14.189 7.590   1.00 16.33 ? 318 HOH A O   1 
HETATM 1044 O  O   . HOH G 4 .   ? 8.552   23.411 4.833   1.00 25.25 ? 319 HOH A O   1 
HETATM 1045 O  O   . HOH G 4 .   ? -9.092  8.877  -3.597  1.00 28.80 ? 320 HOH A O   1 
HETATM 1046 O  O   . HOH G 4 .   ? 6.708   3.470  5.065   1.00 22.56 ? 321 HOH A O   1 
HETATM 1047 O  O   . HOH G 4 .   ? -5.593  21.337 13.652  1.00 31.20 ? 322 HOH A O   1 
HETATM 1048 O  O   . HOH G 4 .   ? -6.582  27.727 10.730  1.00 19.03 ? 323 HOH A O   1 
HETATM 1049 O  O   . HOH G 4 .   ? -15.691 19.322 3.524   1.00 27.12 ? 324 HOH A O   1 
HETATM 1050 O  O   . HOH G 4 .   ? -0.852  5.606  10.994  1.00 37.80 ? 325 HOH A O   1 
HETATM 1051 O  O   . HOH G 4 .   ? 1.192   36.932 0.256   1.00 28.71 ? 326 HOH A O   1 
HETATM 1052 O  O   . HOH G 4 .   ? 0.484   13.535 -1.646  1.00 21.10 ? 327 HOH A O   1 
HETATM 1053 O  O   . HOH G 4 .   ? -11.843 34.556 -11.524 1.00 34.68 ? 328 HOH A O   1 
HETATM 1054 O  O   . HOH G 4 .   ? 11.603  23.678 17.401  1.00 37.44 ? 329 HOH A O   1 
HETATM 1055 O  O   . HOH G 4 .   ? -5.064  8.722  -7.579  1.00 24.59 ? 330 HOH A O   1 
HETATM 1056 O  O   . HOH G 4 .   ? -9.231  10.333 -7.441  1.00 30.69 ? 331 HOH A O   1 
HETATM 1057 O  O   . HOH G 4 .   ? -1.086  11.515 -2.101  1.00 17.38 ? 332 HOH A O   1 
HETATM 1058 O  O   . HOH G 4 .   ? -9.958  12.564 2.527   1.00 33.99 ? 333 HOH A O   1 
HETATM 1059 O  O   . HOH G 4 .   ? 7.166   23.748 1.020   1.00 19.71 ? 334 HOH A O   1 
HETATM 1060 O  O   . HOH G 4 .   ? -16.896 25.985 4.279   1.00 22.06 ? 335 HOH A O   1 
HETATM 1061 O  O   . HOH G 4 .   ? 17.055  14.959 11.010  1.00 30.05 ? 336 HOH A O   1 
HETATM 1062 O  O   . HOH G 4 .   ? -8.476  15.401 9.258   1.00 28.45 ? 337 HOH A O   1 
HETATM 1063 O  O   . HOH G 4 .   ? -12.822 18.094 -16.147 1.00 32.41 ? 338 HOH A O   1 
HETATM 1064 O  O   . HOH G 4 .   ? 10.675  22.753 9.629   1.00 24.51 ? 339 HOH A O   1 
HETATM 1065 O  O   . HOH G 4 .   ? 15.723  17.071 14.484  1.00 33.74 ? 340 HOH A O   1 
HETATM 1066 O  O   . HOH G 4 .   ? -5.078  9.419  -14.486 1.00 36.67 ? 341 HOH A O   1 
HETATM 1067 O  O   . HOH G 4 .   ? 0.228   17.800 -14.402 1.00 22.50 ? 342 HOH A O   1 
HETATM 1068 O  O   . HOH G 4 .   ? 6.946   24.294 -7.419  1.00 20.86 ? 343 HOH A O   1 
HETATM 1069 O  O   . HOH G 4 .   ? -2.828  4.396  -0.923  1.00 38.96 ? 344 HOH A O   1 
HETATM 1070 O  O   . HOH G 4 .   ? 5.055   10.490 -9.352  1.00 15.12 ? 345 HOH A O   1 
HETATM 1071 O  O   . HOH G 4 .   ? 5.107   22.909 2.842   1.00 22.11 ? 346 HOH A O   1 
HETATM 1072 O  O   . HOH G 4 .   ? 7.035   12.028 16.634  1.00 32.74 ? 347 HOH A O   1 
HETATM 1073 O  O   . HOH G 4 .   ? -16.068 23.517 -4.811  1.00 24.04 ? 348 HOH A O   1 
HETATM 1074 O  O   . HOH G 4 .   ? 0.590   8.228  16.167  1.00 40.12 ? 349 HOH A O   1 
HETATM 1075 O  O   . HOH G 4 .   ? 1.554   32.803 -9.042  1.00 19.90 ? 350 HOH A O   1 
HETATM 1076 O  O   . HOH G 4 .   ? -1.691  6.767  1.985   1.00 20.99 ? 351 HOH A O   1 
HETATM 1077 O  O   . HOH G 4 .   ? -7.659  10.124 -10.620 1.00 26.96 ? 352 HOH A O   1 
HETATM 1078 O  O   . HOH G 4 .   ? 12.362  24.304 3.477   1.00 31.56 ? 353 HOH A O   1 
HETATM 1079 O  O   . HOH G 4 .   ? -15.843 22.102 2.571   1.00 29.59 ? 354 HOH A O   1 
HETATM 1080 O  O   . HOH G 4 .   ? 7.582   17.623 -7.891  1.00 20.56 ? 355 HOH A O   1 
HETATM 1081 O  O   . HOH G 4 .   ? 5.194   17.116 -11.587 1.00 22.46 ? 356 HOH A O   1 
HETATM 1082 O  O   . HOH G 4 .   ? -3.679  11.517 7.030   1.00 22.24 ? 357 HOH A O   1 
HETATM 1083 O  O   . HOH G 4 .   ? -14.539 25.703 -4.163  1.00 19.87 ? 358 HOH A O   1 
HETATM 1084 O  O   . HOH G 4 .   ? 3.827   5.674  -0.490  1.00 21.25 ? 359 HOH A O   1 
HETATM 1085 O  O   . HOH G 4 .   ? 8.820   21.984 -0.093  1.00 17.78 ? 360 HOH A O   1 
HETATM 1086 O  O   . HOH G 4 .   ? -1.061  38.496 -4.025  1.00 26.58 ? 361 HOH A O   1 
HETATM 1087 O  O   . HOH G 4 .   ? -14.337 16.890 5.870   1.00 33.49 ? 362 HOH A O   1 
HETATM 1088 O  O   . HOH G 4 .   ? -10.715 31.029 5.293   1.00 16.75 ? 363 HOH A O   1 
HETATM 1089 O  O   . HOH G 4 .   ? 0.157   33.101 9.585   1.00 39.12 ? 364 HOH A O   1 
HETATM 1090 O  O   . HOH G 4 .   ? 7.341   25.343 -3.221  1.00 17.87 ? 365 HOH A O   1 
HETATM 1091 O  O   . HOH G 4 .   ? 18.253  19.478 13.368  1.00 25.15 ? 366 HOH A O   1 
HETATM 1092 O  O   . HOH G 4 .   ? -2.388  11.554 -13.814 1.00 27.37 ? 367 HOH A O   1 
HETATM 1093 O  O   . HOH G 4 .   ? 13.959  13.959 0.000   0.50 20.48 ? 368 HOH A O   1 
HETATM 1094 O  O   . HOH G 4 .   ? 9.421   12.316 11.728  1.00 18.42 ? 369 HOH A O   1 
HETATM 1095 O  O   . HOH G 4 .   ? -3.999  6.883  -11.410 1.00 33.43 ? 370 HOH A O   1 
HETATM 1096 O  O   . HOH G 4 .   ? -3.058  31.832 -9.289  1.00 25.42 ? 371 HOH A O   1 
HETATM 1097 O  O   . HOH G 4 .   ? 0.779   35.504 -3.568  1.00 18.52 ? 372 HOH A O   1 
HETATM 1098 O  O   . HOH G 4 .   ? -10.219 33.647 -7.972  1.00 23.84 ? 373 HOH A O   1 
HETATM 1099 O  O   . HOH G 4 .   ? -6.948  34.973 -3.770  1.00 24.53 ? 374 HOH A O   1 
HETATM 1100 O  O   . HOH G 4 .   ? 2.590   18.892 -13.347 1.00 24.28 ? 375 HOH A O   1 
HETATM 1101 O  O   . HOH G 4 .   ? -6.195  33.278 -1.913  1.00 22.01 ? 376 HOH A O   1 
HETATM 1102 O  O   . HOH G 4 .   ? -4.191  32.814 -11.503 1.00 27.63 ? 377 HOH A O   1 
HETATM 1103 O  O   . HOH G 4 .   ? -4.363  12.342 9.523   1.00 24.82 ? 378 HOH A O   1 
HETATM 1104 O  O   . HOH G 4 .   ? -12.706 17.683 9.186   1.00 32.28 ? 379 HOH A O   1 
HETATM 1105 O  O   . HOH G 4 .   ? 1.110   16.129 0.906   1.00 16.19 ? 380 HOH A O   1 
HETATM 1106 O  O   . HOH G 4 .   ? 15.680  18.144 -0.725  1.00 24.14 ? 381 HOH A O   1 
HETATM 1107 O  O   . HOH G 4 .   ? 5.409   23.937 -9.813  1.00 19.48 ? 382 HOH A O   1 
HETATM 1108 O  O   . HOH G 4 .   ? 11.018  22.305 1.521   1.00 25.37 ? 383 HOH A O   1 
HETATM 1109 O  O   . HOH G 4 .   ? -3.972  7.960  0.968   1.00 17.85 ? 384 HOH A O   1 
HETATM 1110 O  O   . HOH G 4 .   ? -9.291  12.301 -9.773  1.00 25.26 ? 385 HOH A O   1 
HETATM 1111 O  O   . HOH G 4 .   ? 8.420   20.083 -4.995  1.00 29.70 ? 386 HOH A O   1 
HETATM 1112 O  O   . HOH G 4 .   ? -15.271 15.510 -7.640  1.00 26.27 ? 387 HOH A O   1 
HETATM 1113 O  O   . HOH G 4 .   ? -9.298  18.855 10.680  1.00 32.11 ? 388 HOH A O   1 
HETATM 1114 O  O   . HOH G 4 .   ? 0.709   4.677  -4.270  1.00 25.78 ? 389 HOH A O   1 
HETATM 1115 O  O   . HOH G 4 .   ? 2.832   4.255  3.356   1.00 23.74 ? 390 HOH A O   1 
HETATM 1116 O  O   . HOH G 4 .   ? -14.739 23.636 6.885   1.00 22.46 ? 391 HOH A O   1 
HETATM 1117 O  O   . HOH G 4 .   ? 5.175   25.521 3.781   1.00 26.58 ? 392 HOH A O   1 
HETATM 1118 O  O   . HOH G 4 .   ? -11.650 30.878 -0.819  1.00 16.06 ? 393 HOH A O   1 
HETATM 1119 O  O   . HOH G 4 .   ? 4.344   32.069 -9.059  1.00 15.22 ? 394 HOH A O   1 
HETATM 1120 O  O   . HOH G 4 .   ? -16.112 22.777 -7.692  1.00 30.41 ? 395 HOH A O   1 
HETATM 1121 O  O   . HOH G 4 .   ? 14.327  24.813 4.672   1.00 28.48 ? 396 HOH A O   1 
HETATM 1122 O  O   . HOH G 4 .   ? -0.009  37.967 3.314   1.00 25.81 ? 397 HOH A O   1 
HETATM 1123 O  O   . HOH G 4 .   ? 3.189   23.369 9.481   1.00 29.81 ? 398 HOH A O   1 
HETATM 1124 O  O   . HOH G 4 .   ? 7.393   11.691 14.122  1.00 22.33 ? 399 HOH A O   1 
HETATM 1125 O  O   . HOH G 4 .   ? 18.242  9.529  5.950   1.00 27.87 ? 400 HOH A O   1 
HETATM 1126 O  O   . HOH G 4 .   ? -16.061 29.324 -2.527  1.00 32.23 ? 401 HOH A O   1 
HETATM 1127 O  O   . HOH G 4 .   ? -4.021  36.810 -10.495 1.00 25.05 ? 402 HOH A O   1 
HETATM 1128 O  O   . HOH G 4 .   ? -1.734  10.667 0.349   1.00 19.04 ? 403 HOH A O   1 
HETATM 1129 O  O   . HOH G 4 .   ? -15.124 8.998  -2.400  1.00 28.82 ? 404 HOH A O   1 
HETATM 1130 O  O   . HOH G 4 .   ? -3.408  19.387 -16.497 1.00 28.60 ? 405 HOH A O   1 
HETATM 1131 O  O   . HOH G 4 .   ? 3.401   21.089 6.587   1.00 23.31 ? 406 HOH A O   1 
HETATM 1132 O  O   . HOH G 4 .   ? 7.630   16.718 -10.286 1.00 22.68 ? 407 HOH A O   1 
HETATM 1133 O  O   . HOH G 4 .   ? -5.053  13.355 -16.068 1.00 37.18 ? 408 HOH A O   1 
HETATM 1134 O  O   . HOH G 4 .   ? -19.061 23.075 -0.311  1.00 28.52 ? 409 HOH A O   1 
HETATM 1135 O  O   . HOH G 4 .   ? 1.873   9.776  -13.242 1.00 27.46 ? 410 HOH A O   1 
HETATM 1136 O  O   . HOH G 4 .   ? -14.960 28.390 0.898   1.00 29.38 ? 411 HOH A O   1 
HETATM 1137 O  O   . HOH G 4 .   ? -2.888  40.581 -4.692  1.00 38.50 ? 412 HOH A O   1 
HETATM 1138 O  O   . HOH G 4 .   ? 5.715   29.382 -12.128 1.00 24.22 ? 413 HOH A O   1 
HETATM 1139 O  O   . HOH G 4 .   ? -11.906 31.533 -5.574  1.00 38.08 ? 414 HOH A O   1 
HETATM 1140 O  O   . HOH G 4 .   ? 15.906  16.771 12.124  1.00 34.90 ? 415 HOH A O   1 
HETATM 1141 O  O   . HOH G 4 .   ? 2.874   21.015 -14.971 1.00 34.88 ? 416 HOH A O   1 
HETATM 1142 O  O   . HOH G 4 .   ? 18.239  12.382 11.231  1.00 31.63 ? 417 HOH A O   1 
HETATM 1143 O  O   . HOH G 4 .   ? 13.743  24.186 8.504   1.00 26.30 ? 418 HOH A O   1 
HETATM 1144 O  O   . HOH G 4 .   ? -4.755  5.575  -6.708  1.00 36.46 ? 419 HOH A O   1 
HETATM 1145 O  O   . HOH G 4 .   ? 9.986   5.182  12.220  1.00 19.34 ? 420 HOH A O   1 
HETATM 1146 O  O   . HOH G 4 .   ? -0.337  36.135 6.762   1.00 37.25 ? 421 HOH A O   1 
HETATM 1147 O  O   . HOH G 4 .   ? 4.894   8.579  15.856  1.00 28.86 ? 422 HOH A O   1 
HETATM 1148 O  O   . HOH G 4 .   ? 2.346   22.860 5.734   1.00 33.91 ? 423 HOH A O   1 
HETATM 1149 O  O   . HOH G 4 .   ? 20.346  13.490 7.061   1.00 30.60 ? 424 HOH A O   1 
HETATM 1150 O  O   . HOH G 4 .   ? -6.365  19.109 -16.575 1.00 22.97 ? 425 HOH A O   1 
HETATM 1151 O  O   . HOH G 4 .   ? 13.250  22.560 0.732   1.00 38.04 ? 426 HOH A O   1 
HETATM 1152 O  O   . HOH G 4 .   ? 14.955  16.161 -0.601  1.00 31.35 ? 427 HOH A O   1 
HETATM 1153 O  O   . HOH G 4 .   ? -6.600  16.352 -15.678 1.00 21.24 ? 428 HOH A O   1 
HETATM 1154 O  O   . HOH G 4 .   ? 5.480   22.199 -15.143 1.00 38.59 ? 429 HOH A O   1 
HETATM 1155 O  O   . HOH G 4 .   ? 2.410   6.753  12.195  1.00 26.02 ? 430 HOH A O   1 
HETATM 1156 O  O   . HOH G 4 .   ? 6.339   23.602 6.892   1.00 30.21 ? 431 HOH A O   1 
HETATM 1157 O  O   . HOH G 4 .   ? -4.111  3.796  -5.278  1.00 33.13 ? 432 HOH A O   1 
HETATM 1158 O  O   . HOH G 4 .   ? -16.782 23.670 4.642   1.00 35.00 ? 433 HOH A O   1 
HETATM 1159 O  O   . HOH G 4 .   ? -12.391 17.809 -13.491 1.00 32.96 ? 434 HOH A O   1 
HETATM 1160 O  O   . HOH G 4 .   ? -15.589 26.632 6.452   1.00 27.39 ? 435 HOH A O   1 
HETATM 1161 O  O   . HOH G 4 .   ? 5.056   5.548  11.197  1.00 19.24 ? 436 HOH A O   1 
HETATM 1162 O  O   . HOH G 4 .   ? -14.376 30.376 -0.672  1.00 29.23 ? 437 HOH A O   1 
HETATM 1163 O  O   . HOH G 4 .   ? 8.616   24.402 11.349  1.00 24.58 ? 438 HOH A O   1 
HETATM 1164 O  O   . HOH G 4 .   ? 3.990   7.336  -10.453 1.00 38.00 ? 439 HOH A O   1 
HETATM 1165 O  O   . HOH G 4 .   ? -7.144  6.811  -5.708  1.00 30.42 ? 440 HOH A O   1 
HETATM 1166 O  O   . HOH G 4 .   ? -21.927 19.200 -21.444 1.00 27.17 ? 441 HOH A O   1 
HETATM 1167 O  O   . HOH G 4 .   ? -11.803 12.015 -8.498  1.00 19.73 ? 442 HOH A O   1 
HETATM 1168 O  O   . HOH G 4 .   ? -16.712 28.085 3.473   1.00 33.85 ? 443 HOH A O   1 
HETATM 1169 O  O   . HOH G 4 .   ? -1.429  4.386  0.788   1.00 31.84 ? 444 HOH A O   1 
HETATM 1170 O  O   . HOH G 4 .   ? -10.428 29.397 8.959   1.00 27.94 ? 445 HOH A O   1 
HETATM 1171 O  O   . HOH G 4 .   ? 10.277  24.156 6.903   1.00 34.06 ? 446 HOH A O   1 
HETATM 1172 O  O   . HOH G 4 .   ? -3.592  38.550 -0.347  1.00 23.97 ? 447 HOH A O   1 
HETATM 1173 O  O   . HOH G 4 .   ? -8.187  38.650 -6.070  1.00 41.64 ? 448 HOH A O   1 
HETATM 1174 O  O   . HOH G 4 .   ? -0.787  23.162 -14.572 1.00 28.24 ? 449 HOH A O   1 
HETATM 1175 O  O   . HOH G 4 .   ? 9.736   24.810 2.980   1.00 38.28 ? 450 HOH A O   1 
HETATM 1176 O  O   . HOH G 4 .   ? 7.753   23.235 -14.118 1.00 43.29 ? 451 HOH A O   1 
HETATM 1177 O  O   . HOH G 4 .   ? -9.713  16.628 10.896  1.00 35.23 ? 452 HOH A O   1 
HETATM 1178 O  O   . HOH G 4 .   ? -3.892  28.433 -14.211 1.00 32.55 ? 453 HOH A O   1 
HETATM 1179 O  O   . HOH G 4 .   ? 5.247   17.203 -14.088 1.00 32.28 ? 454 HOH A O   1 
HETATM 1180 O  O   . HOH G 4 .   ? -0.962  9.595  -14.289 1.00 38.95 ? 455 HOH A O   1 
HETATM 1181 O  O   . HOH G 4 .   ? -5.096  9.096  6.682   1.00 27.77 ? 456 HOH A O   1 
HETATM 1182 O  O   . HOH G 4 .   ? 2.967   24.124 13.441  1.00 36.36 ? 457 HOH A O   1 
HETATM 1183 O  O   . HOH G 4 .   ? 1.247   4.646  1.004   1.00 34.62 ? 458 HOH A O   1 
HETATM 1184 O  O   . HOH G 4 .   ? -14.165 22.496 9.239   1.00 35.62 ? 459 HOH A O   1 
HETATM 1185 O  O   . HOH G 4 .   ? 7.984   26.023 -0.600  1.00 28.29 ? 460 HOH A O   1 
HETATM 1186 O  O   . HOH G 4 .   ? 17.785  9.709  12.021  1.00 26.28 ? 461 HOH A O   1 
HETATM 1187 O  O   . HOH G 4 .   ? -4.382  27.220 -15.949 1.00 36.20 ? 462 HOH A O   1 
HETATM 1188 O  O   . HOH G 4 .   ? -18.682 24.592 -5.141  1.00 37.03 ? 463 HOH A O   1 
HETATM 1189 O  O   . HOH G 4 .   ? -2.146  8.086  -12.996 1.00 39.42 ? 464 HOH A O   1 
HETATM 1190 O  O   . HOH G 4 .   ? -15.277 29.345 7.203   1.00 23.85 ? 465 HOH A O   1 
HETATM 1191 O  O   . HOH G 4 .   ? 2.052   4.158  -1.821  1.00 24.07 ? 466 HOH A O   1 
HETATM 1192 O  O   . HOH G 4 .   ? -18.406 27.098 -4.734  1.00 38.98 ? 467 HOH A O   1 
HETATM 1193 O  O   . HOH G 4 .   ? 7.883   3.229  12.777  1.00 38.35 ? 468 HOH A O   1 
HETATM 1194 O  O   . HOH G 4 .   ? -16.934 10.199 -1.677  1.00 37.84 ? 469 HOH A O   1 
HETATM 1195 O  O   . HOH G 4 .   ? -13.556 27.757 9.128   1.00 30.06 ? 470 HOH A O   1 
HETATM 1196 O  O   . HOH G 4 .   ? -13.529 33.969 -10.177 1.00 40.56 ? 471 HOH A O   1 
HETATM 1197 O  O   . HOH G 4 .   ? -5.865  6.847  4.133   1.00 36.30 ? 472 HOH A O   1 
HETATM 1198 O  O   . HOH G 4 .   ? 11.896  22.557 20.508  1.00 35.83 ? 473 HOH A O   1 
HETATM 1199 O  O   . HOH G 4 .   ? -16.243 16.243 -9.572  0.50 29.34 ? 474 HOH A O   1 
HETATM 1200 O  O   . HOH G 4 .   ? 0.132   16.156 -16.493 1.00 34.96 ? 475 HOH A O   1 
HETATM 1201 O  O   . HOH G 4 .   ? 2.917   9.534  17.983  1.00 39.05 ? 476 HOH A O   1 
HETATM 1202 O  O   . HOH G 4 .   ? -3.219  20.752 14.833  1.00 38.86 ? 477 HOH A O   1 
HETATM 1203 O  O   . HOH G 4 .   ? -8.464  29.161 14.435  1.00 34.37 ? 478 HOH A O   1 
HETATM 1204 O  O   . HOH G 4 .   ? -5.738  6.031  2.078   1.00 30.22 ? 479 HOH A O   1 
HETATM 1205 O  O   . HOH G 4 .   ? 0.055   31.484 -10.962 1.00 31.53 ? 480 HOH A O   1 
HETATM 1206 O  O   . HOH G 4 .   ? -14.594 27.559 -6.328  1.00 29.34 ? 481 HOH A O   1 
HETATM 1207 O  O   . HOH G 4 .   ? 2.209   27.749 -13.942 1.00 37.35 ? 482 HOH A O   1 
HETATM 1208 O  O   . HOH G 4 .   ? 11.261  5.583  14.272  1.00 33.95 ? 483 HOH A O   1 
HETATM 1209 O  O   . HOH G 4 .   ? -8.381  37.380 -3.206  1.00 30.16 ? 484 HOH A O   1 
HETATM 1210 O  O   . HOH G 4 .   ? 1.970   23.330 15.215  1.00 36.88 ? 485 HOH A O   1 
HETATM 1211 O  O   . HOH G 4 .   ? -0.835  38.560 0.633   1.00 25.48 ? 486 HOH A O   1 
HETATM 1212 O  O   . HOH G 4 .   ? -1.256  4.480  8.860   1.00 36.34 ? 487 HOH A O   1 
HETATM 1213 O  O   . HOH G 4 .   ? -2.478  30.051 -14.232 1.00 38.46 ? 488 HOH A O   1 
HETATM 1214 O  O   . HOH G 4 .   ? 1.339   3.230  5.018   1.00 33.63 ? 489 HOH A O   1 
HETATM 1215 O  O   . HOH G 4 .   ? 1.434   25.779 15.923  1.00 47.16 ? 490 HOH A O   1 
HETATM 1216 O  O   . HOH G 4 .   ? -2.616  5.790  4.336   1.00 30.76 ? 491 HOH A O   1 
HETATM 1217 O  O   . HOH G 4 .   ? -0.615  4.805  6.551   1.00 33.33 ? 492 HOH A O   1 
HETATM 1218 O  O   . HOH G 4 .   ? -3.593  3.296  3.831   1.00 45.41 ? 493 HOH A O   1 
# 
