data_9FA5
# 
_entry.id   9FA5 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_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   9FA5         pdb_00009fa5 10.2210/pdb9fa5/pdb 
WWPDB D_1292138460 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-03-19 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9FA5 
_pdbx_database_status.recvd_initial_deposition_date   2024-05-10 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              jmmartin@iqf.csic.es 
_pdbx_contact_author.name_first         'Jose Manuel' 
_pdbx_contact_author.name_last          Martin-Garcia 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-4558-3858 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Quereda-Moraleda, I.' 1 ? 
'Grieco, A.'           2 ? 
'Botha, S.'            3 ? 
'Manna, A.'            4 ? 
'Ros, A.'              5 ? 
'Martin-Garcia, J.M.'  6 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Anal.Chem. 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1520-6882 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            96 
_citation.language                  ? 
_citation.page_first                20371 
_citation.page_last                 20381 
_citation.title                     
'Cyclic Olefin Copolymer-Based Fixed-Target Sample Delivery Device for Protein X-ray Crystallography.' 
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.analchem.4c03484 
_citation.pdbx_database_id_PubMed   39679637 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Manna, A.'            1  ?                   
primary 'Sonker, M.'           2  ?                   
primary 'Koh, D.'              3  ?                   
primary 'Steiger, M.'          4  ?                   
primary 'Ansari, A.'           5  ?                   
primary 'Hu, H.'               6  ?                   
primary 'Quereda-Moraleda, I.' 7  ?                   
primary 'Grieco, A.'           8  ?                   
primary 'Doppler, D.'          9  ?                   
primary 'de Sanctis, D.'       10 ?                   
primary 'Basu, S.'             11 ?                   
primary 'Orlans, J.'           12 ?                   
primary 'Rose, S.L.'           13 0000-0003-4824-4066 
primary 'Botha, S.'            14 ?                   
primary 'Martin-Garcia, J.M.'  15 ?                   
primary 'Ros, A.'              16 0000-0001-7709-8331 
# 
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     nat 'Lysozyme C'            14331.160 1   3.2.1.17 ? ? ? 
2 non-polymer syn 'SODIUM ION'            22.990    1   ?        ? ? ? 
3 non-polymer syn 'CHLORIDE ION'          35.453    1   ?        ? ? ? 
4 non-polymer syn 'DI(HYDROXYETHYL)ETHER' 106.120   1   ?        ? ? ? 
5 water       nat water                   18.015    104 ?        ? ? ? 
# 
_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       
;KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPC
SALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_entity_poly.pdbx_seq_one_letter_code_can   
;KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPC
SALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_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 'SODIUM ION'            NA  
3 'CHLORIDE ION'          CL  
4 'DI(HYDROXYETHYL)ETHER' PEG 
5 water                   HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   LYS n 
1 2   VAL n 
1 3   PHE n 
1 4   GLY n 
1 5   ARG n 
1 6   CYS n 
1 7   GLU n 
1 8   LEU n 
1 9   ALA n 
1 10  ALA n 
1 11  ALA n 
1 12  MET n 
1 13  LYS n 
1 14  ARG n 
1 15  HIS n 
1 16  GLY n 
1 17  LEU n 
1 18  ASP n 
1 19  ASN n 
1 20  TYR n 
1 21  ARG n 
1 22  GLY n 
1 23  TYR n 
1 24  SER n 
1 25  LEU n 
1 26  GLY n 
1 27  ASN n 
1 28  TRP n 
1 29  VAL n 
1 30  CYS n 
1 31  ALA n 
1 32  ALA n 
1 33  LYS n 
1 34  PHE n 
1 35  GLU n 
1 36  SER n 
1 37  ASN n 
1 38  PHE n 
1 39  ASN n 
1 40  THR n 
1 41  GLN n 
1 42  ALA n 
1 43  THR n 
1 44  ASN n 
1 45  ARG n 
1 46  ASN n 
1 47  THR n 
1 48  ASP n 
1 49  GLY n 
1 50  SER n 
1 51  THR n 
1 52  ASP n 
1 53  TYR n 
1 54  GLY n 
1 55  ILE n 
1 56  LEU n 
1 57  GLN n 
1 58  ILE n 
1 59  ASN n 
1 60  SER n 
1 61  ARG n 
1 62  TRP n 
1 63  TRP n 
1 64  CYS n 
1 65  ASN n 
1 66  ASP n 
1 67  GLY n 
1 68  ARG n 
1 69  THR n 
1 70  PRO n 
1 71  GLY n 
1 72  SER n 
1 73  ARG n 
1 74  ASN n 
1 75  LEU n 
1 76  CYS n 
1 77  ASN n 
1 78  ILE n 
1 79  PRO n 
1 80  CYS n 
1 81  SER n 
1 82  ALA n 
1 83  LEU n 
1 84  LEU n 
1 85  SER n 
1 86  SER n 
1 87  ASP n 
1 88  ILE n 
1 89  THR n 
1 90  ALA n 
1 91  SER n 
1 92  VAL n 
1 93  ASN n 
1 94  CYS n 
1 95  ALA n 
1 96  LYS n 
1 97  LYS n 
1 98  ILE n 
1 99  VAL n 
1 100 SER n 
1 101 ASP n 
1 102 GLY n 
1 103 ASN n 
1 104 GLY n 
1 105 MET n 
1 106 ASN n 
1 107 ALA n 
1 108 TRP n 
1 109 VAL n 
1 110 ALA n 
1 111 TRP n 
1 112 ARG n 
1 113 ASN n 
1 114 ARG n 
1 115 CYS n 
1 116 LYS n 
1 117 GLY n 
1 118 THR n 
1 119 ASP n 
1 120 VAL n 
1 121 GLN n 
1 122 ALA n 
1 123 TRP n 
1 124 ILE n 
1 125 ARG n 
1 126 GLY n 
1 127 CYS n 
1 128 ARG n 
1 129 LEU n 
# 
_entity_src_nat.entity_id                  1 
_entity_src_nat.pdbx_src_id                1 
_entity_src_nat.pdbx_alt_source_flag       sample 
_entity_src_nat.pdbx_beg_seq_num           1 
_entity_src_nat.pdbx_end_seq_num           129 
_entity_src_nat.common_name                chicken 
_entity_src_nat.pdbx_organism_scientific   'Gallus gallus' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      9031 
_entity_src_nat.genus                      ? 
_entity_src_nat.species                    ? 
_entity_src_nat.strain                     ? 
_entity_src_nat.tissue                     ? 
_entity_src_nat.tissue_fraction            ? 
_entity_src_nat.pdbx_secretion             ? 
_entity_src_nat.pdbx_fragment              ? 
_entity_src_nat.pdbx_variant               ? 
_entity_src_nat.pdbx_cell_line             ? 
_entity_src_nat.pdbx_atcc                  ? 
_entity_src_nat.pdbx_cellular_location     ? 
_entity_src_nat.pdbx_organ                 ? 
_entity_src_nat.pdbx_organelle             ? 
_entity_src_nat.pdbx_cell                  ? 
_entity_src_nat.pdbx_plasmid_name          ? 
_entity_src_nat.pdbx_plasmid_details       ? 
_entity_src_nat.details                    ? 
# 
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  
PEG non-polymer         . 'DI(HYDROXYETHYL)ETHER' ? 'C4 H10 O3'      106.120 
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   LYS 1   1   1   LYS LYS A . n 
A 1 2   VAL 2   2   2   VAL VAL A . n 
A 1 3   PHE 3   3   3   PHE PHE A . n 
A 1 4   GLY 4   4   4   GLY GLY A . n 
A 1 5   ARG 5   5   5   ARG ARG A . n 
A 1 6   CYS 6   6   6   CYS CYS A . n 
A 1 7   GLU 7   7   7   GLU GLU A . n 
A 1 8   LEU 8   8   8   LEU LEU A . n 
A 1 9   ALA 9   9   9   ALA ALA A . n 
A 1 10  ALA 10  10  10  ALA ALA A . n 
A 1 11  ALA 11  11  11  ALA ALA A . n 
A 1 12  MET 12  12  12  MET MET A . n 
A 1 13  LYS 13  13  13  LYS LYS A . n 
A 1 14  ARG 14  14  14  ARG ARG A . n 
A 1 15  HIS 15  15  15  HIS HIS A . n 
A 1 16  GLY 16  16  16  GLY GLY A . n 
A 1 17  LEU 17  17  17  LEU LEU A . n 
A 1 18  ASP 18  18  18  ASP ASP A . n 
A 1 19  ASN 19  19  19  ASN ASN A . n 
A 1 20  TYR 20  20  20  TYR TYR A . n 
A 1 21  ARG 21  21  21  ARG ARG A . n 
A 1 22  GLY 22  22  22  GLY GLY A . n 
A 1 23  TYR 23  23  23  TYR TYR A . n 
A 1 24  SER 24  24  24  SER SER A . n 
A 1 25  LEU 25  25  25  LEU LEU A . n 
A 1 26  GLY 26  26  26  GLY GLY A . n 
A 1 27  ASN 27  27  27  ASN ASN A . n 
A 1 28  TRP 28  28  28  TRP TRP A . n 
A 1 29  VAL 29  29  29  VAL VAL A . n 
A 1 30  CYS 30  30  30  CYS CYS A . n 
A 1 31  ALA 31  31  31  ALA ALA A . n 
A 1 32  ALA 32  32  32  ALA ALA A . n 
A 1 33  LYS 33  33  33  LYS LYS A . n 
A 1 34  PHE 34  34  34  PHE PHE A . n 
A 1 35  GLU 35  35  35  GLU GLU A . n 
A 1 36  SER 36  36  36  SER SER A . n 
A 1 37  ASN 37  37  37  ASN ASN A . n 
A 1 38  PHE 38  38  38  PHE PHE A . n 
A 1 39  ASN 39  39  39  ASN ASN A . n 
A 1 40  THR 40  40  40  THR THR A . n 
A 1 41  GLN 41  41  41  GLN GLN A . n 
A 1 42  ALA 42  42  42  ALA ALA A . n 
A 1 43  THR 43  43  43  THR THR A . n 
A 1 44  ASN 44  44  44  ASN ASN A . n 
A 1 45  ARG 45  45  45  ARG ARG A . n 
A 1 46  ASN 46  46  46  ASN ASN A . n 
A 1 47  THR 47  47  47  THR THR A . n 
A 1 48  ASP 48  48  48  ASP ASP A . n 
A 1 49  GLY 49  49  49  GLY GLY A . n 
A 1 50  SER 50  50  50  SER SER A . n 
A 1 51  THR 51  51  51  THR THR A . n 
A 1 52  ASP 52  52  52  ASP ASP A . n 
A 1 53  TYR 53  53  53  TYR TYR A . n 
A 1 54  GLY 54  54  54  GLY GLY A . n 
A 1 55  ILE 55  55  55  ILE ILE A . n 
A 1 56  LEU 56  56  56  LEU LEU A . n 
A 1 57  GLN 57  57  57  GLN GLN A . n 
A 1 58  ILE 58  58  58  ILE ILE A . n 
A 1 59  ASN 59  59  59  ASN ASN A . n 
A 1 60  SER 60  60  60  SER SER A . n 
A 1 61  ARG 61  61  61  ARG ARG A . n 
A 1 62  TRP 62  62  62  TRP TRP A . n 
A 1 63  TRP 63  63  63  TRP TRP A . n 
A 1 64  CYS 64  64  64  CYS CYS A . n 
A 1 65  ASN 65  65  65  ASN ASN 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  ARG 68  68  68  ARG ARG A . n 
A 1 69  THR 69  69  69  THR THR A . n 
A 1 70  PRO 70  70  70  PRO PRO A . n 
A 1 71  GLY 71  71  71  GLY GLY A . n 
A 1 72  SER 72  72  72  SER SER A . n 
A 1 73  ARG 73  73  73  ARG ARG A . n 
A 1 74  ASN 74  74  74  ASN ASN A . n 
A 1 75  LEU 75  75  75  LEU LEU A . n 
A 1 76  CYS 76  76  76  CYS CYS A . n 
A 1 77  ASN 77  77  77  ASN ASN A . n 
A 1 78  ILE 78  78  78  ILE ILE A . n 
A 1 79  PRO 79  79  79  PRO PRO A . n 
A 1 80  CYS 80  80  80  CYS CYS A . n 
A 1 81  SER 81  81  81  SER SER A . n 
A 1 82  ALA 82  82  82  ALA ALA A . n 
A 1 83  LEU 83  83  83  LEU LEU A . n 
A 1 84  LEU 84  84  84  LEU LEU A . n 
A 1 85  SER 85  85  85  SER SER A . n 
A 1 86  SER 86  86  86  SER SER A . n 
A 1 87  ASP 87  87  87  ASP ASP A . n 
A 1 88  ILE 88  88  88  ILE ILE A . n 
A 1 89  THR 89  89  89  THR THR A . n 
A 1 90  ALA 90  90  90  ALA ALA A . n 
A 1 91  SER 91  91  91  SER SER A . n 
A 1 92  VAL 92  92  92  VAL VAL A . n 
A 1 93  ASN 93  93  93  ASN ASN A . n 
A 1 94  CYS 94  94  94  CYS CYS A . n 
A 1 95  ALA 95  95  95  ALA ALA A . n 
A 1 96  LYS 96  96  96  LYS LYS A . n 
A 1 97  LYS 97  97  97  LYS LYS A . n 
A 1 98  ILE 98  98  98  ILE ILE A . n 
A 1 99  VAL 99  99  99  VAL VAL A . n 
A 1 100 SER 100 100 100 SER SER A . n 
A 1 101 ASP 101 101 101 ASP ASP A . n 
A 1 102 GLY 102 102 102 GLY GLY A . n 
A 1 103 ASN 103 103 103 ASN ASN A . n 
A 1 104 GLY 104 104 104 GLY GLY A . n 
A 1 105 MET 105 105 105 MET MET A . n 
A 1 106 ASN 106 106 106 ASN ASN A . n 
A 1 107 ALA 107 107 107 ALA ALA A . n 
A 1 108 TRP 108 108 108 TRP TRP A . n 
A 1 109 VAL 109 109 109 VAL VAL A . n 
A 1 110 ALA 110 110 110 ALA ALA A . n 
A 1 111 TRP 111 111 111 TRP TRP A . n 
A 1 112 ARG 112 112 112 ARG ARG A . n 
A 1 113 ASN 113 113 113 ASN ASN A . n 
A 1 114 ARG 114 114 114 ARG ARG A . n 
A 1 115 CYS 115 115 115 CYS CYS A . n 
A 1 116 LYS 116 116 116 LYS LYS A . n 
A 1 117 GLY 117 117 117 GLY GLY A . n 
A 1 118 THR 118 118 118 THR THR A . n 
A 1 119 ASP 119 119 119 ASP ASP A . n 
A 1 120 VAL 120 120 120 VAL VAL A . n 
A 1 121 GLN 121 121 121 GLN GLN A . n 
A 1 122 ALA 122 122 122 ALA ALA A . n 
A 1 123 TRP 123 123 123 TRP TRP A . n 
A 1 124 ILE 124 124 124 ILE ILE A . n 
A 1 125 ARG 125 125 125 ARG ARG A . n 
A 1 126 GLY 126 126 126 GLY GLY A . n 
A 1 127 CYS 127 127 127 CYS CYS A . n 
A 1 128 ARG 128 128 128 ARG ARG A . n 
A 1 129 LEU 129 129 129 LEU LEU A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        CL 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   CL 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
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 NA  1   201 145 NA  NA  A . 
C 3 CL  1   202 146 CL  CL  A . 
D 4 PEG 1   203 147 PEG PEG A . 
E 5 HOH 1   301 72  HOH HOH A . 
E 5 HOH 2   302 97  HOH HOH A . 
E 5 HOH 3   303 45  HOH HOH A . 
E 5 HOH 4   304 30  HOH HOH A . 
E 5 HOH 5   305 91  HOH HOH A . 
E 5 HOH 6   306 37  HOH HOH A . 
E 5 HOH 7   307 25  HOH HOH A . 
E 5 HOH 8   308 18  HOH HOH A . 
E 5 HOH 9   309 6   HOH HOH A . 
E 5 HOH 10  310 77  HOH HOH A . 
E 5 HOH 11  311 55  HOH HOH A . 
E 5 HOH 12  312 36  HOH HOH A . 
E 5 HOH 13  313 52  HOH HOH A . 
E 5 HOH 14  314 11  HOH HOH A . 
E 5 HOH 15  315 34  HOH HOH A . 
E 5 HOH 16  316 86  HOH HOH A . 
E 5 HOH 17  317 23  HOH HOH A . 
E 5 HOH 18  318 42  HOH HOH A . 
E 5 HOH 19  319 39  HOH HOH A . 
E 5 HOH 20  320 101 HOH HOH A . 
E 5 HOH 21  321 9   HOH HOH A . 
E 5 HOH 22  322 59  HOH HOH A . 
E 5 HOH 23  323 50  HOH HOH A . 
E 5 HOH 24  324 70  HOH HOH A . 
E 5 HOH 25  325 20  HOH HOH A . 
E 5 HOH 26  326 8   HOH HOH A . 
E 5 HOH 27  327 29  HOH HOH A . 
E 5 HOH 28  328 21  HOH HOH A . 
E 5 HOH 29  329 2   HOH HOH A . 
E 5 HOH 30  330 40  HOH HOH A . 
E 5 HOH 31  331 26  HOH HOH A . 
E 5 HOH 32  332 47  HOH HOH A . 
E 5 HOH 33  333 13  HOH HOH A . 
E 5 HOH 34  334 28  HOH HOH A . 
E 5 HOH 35  335 57  HOH HOH A . 
E 5 HOH 36  336 44  HOH HOH A . 
E 5 HOH 37  337 43  HOH HOH A . 
E 5 HOH 38  338 92  HOH HOH A . 
E 5 HOH 39  339 35  HOH HOH A . 
E 5 HOH 40  340 15  HOH HOH A . 
E 5 HOH 41  341 60  HOH HOH A . 
E 5 HOH 42  342 31  HOH HOH A . 
E 5 HOH 43  343 38  HOH HOH A . 
E 5 HOH 44  344 7   HOH HOH A . 
E 5 HOH 45  345 49  HOH HOH A . 
E 5 HOH 46  346 75  HOH HOH A . 
E 5 HOH 47  347 74  HOH HOH A . 
E 5 HOH 48  348 87  HOH HOH A . 
E 5 HOH 49  349 54  HOH HOH A . 
E 5 HOH 50  350 51  HOH HOH A . 
E 5 HOH 51  351 65  HOH HOH A . 
E 5 HOH 52  352 63  HOH HOH A . 
E 5 HOH 53  353 16  HOH HOH A . 
E 5 HOH 54  354 5   HOH HOH A . 
E 5 HOH 55  355 46  HOH HOH A . 
E 5 HOH 56  356 41  HOH HOH A . 
E 5 HOH 57  357 24  HOH HOH A . 
E 5 HOH 58  358 33  HOH HOH A . 
E 5 HOH 59  359 82  HOH HOH A . 
E 5 HOH 60  360 79  HOH HOH A . 
E 5 HOH 61  361 17  HOH HOH A . 
E 5 HOH 62  362 73  HOH HOH A . 
E 5 HOH 63  363 78  HOH HOH A . 
E 5 HOH 64  364 10  HOH HOH A . 
E 5 HOH 65  365 103 HOH HOH A . 
E 5 HOH 66  366 98  HOH HOH A . 
E 5 HOH 67  367 64  HOH HOH A . 
E 5 HOH 68  368 14  HOH HOH A . 
E 5 HOH 69  369 58  HOH HOH A . 
E 5 HOH 70  370 12  HOH HOH A . 
E 5 HOH 71  371 48  HOH HOH A . 
E 5 HOH 72  372 84  HOH HOH A . 
E 5 HOH 73  373 32  HOH HOH A . 
E 5 HOH 74  374 67  HOH HOH A . 
E 5 HOH 75  375 94  HOH HOH A . 
E 5 HOH 76  376 4   HOH HOH A . 
E 5 HOH 77  377 89  HOH HOH A . 
E 5 HOH 78  378 3   HOH HOH A . 
E 5 HOH 79  379 19  HOH HOH A . 
E 5 HOH 80  380 76  HOH HOH A . 
E 5 HOH 81  381 27  HOH HOH A . 
E 5 HOH 82  382 1   HOH HOH A . 
E 5 HOH 83  383 22  HOH HOH A . 
E 5 HOH 84  384 69  HOH HOH A . 
E 5 HOH 85  385 56  HOH HOH A . 
E 5 HOH 86  386 85  HOH HOH A . 
E 5 HOH 87  387 93  HOH HOH A . 
E 5 HOH 88  388 83  HOH HOH A . 
E 5 HOH 89  389 62  HOH HOH A . 
E 5 HOH 90  390 90  HOH HOH A . 
E 5 HOH 91  391 61  HOH HOH A . 
E 5 HOH 92  392 96  HOH HOH A . 
E 5 HOH 93  393 88  HOH HOH A . 
E 5 HOH 94  394 80  HOH HOH A . 
E 5 HOH 95  395 102 HOH HOH A . 
E 5 HOH 96  396 68  HOH HOH A . 
E 5 HOH 97  397 95  HOH HOH A . 
E 5 HOH 98  398 53  HOH HOH A . 
E 5 HOH 99  399 104 HOH HOH A . 
E 5 HOH 100 400 71  HOH HOH A . 
E 5 HOH 101 401 66  HOH HOH A . 
E 5 HOH 102 402 81  HOH HOH A . 
E 5 HOH 103 403 99  HOH HOH A . 
E 5 HOH 104 404 100 HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0425 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS      ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? .        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                     9FA5 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     78.300 
_cell.length_a_esd                 ? 
_cell.length_b                     78.300 
_cell.length_b_esd                 ? 
_cell.length_c                     38.100 
_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                         9FA5 
_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                   9FA5 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.08 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          40.82 
_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          'BATCH MODE' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '6% (w/v) PEG 6000, 0.1 M sodium acetate pH 3.0, 20% (w/v) sodium chloride' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            295 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     295 
_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   Y 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'PSI JUNGFRAU 4M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-02-23 
_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   1.072 
_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                        'ESRF BEAMLINE ID29' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.072 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID29 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9FA5 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.60 
_reflns.d_resolution_low                               39.15 
_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                                     16156 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                4.51 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          5.0 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   0.990 
_reflns.pdbx_R_split                                   0.158 
_reflns.pdbx_Rmerge_I_obs                              ? 
_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                                    1.60 
_reflns_shell.d_res_low                                     1.64 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             834 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  0.627 
_reflns_shell.pdbx_R_split                                  1.563 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -0.00 
_refine.aniso_B[1][2]                            -0.00 
_refine.aniso_B[1][3]                            -0.00 
_refine.aniso_B[2][2]                            -0.00 
_refine.aniso_B[2][3]                            -0.00 
_refine.aniso_B[3][3]                            0.01 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               25.364 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.959 
_refine.correlation_coeff_Fo_to_Fc_free          0.920 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9FA5 
_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                            1.60 
_refine.ls_d_res_low                             39.15 
_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                     15322 
_refine.ls_number_reflns_R_free                  834 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.98 
_refine.ls_percent_reflns_R_free                 5.2 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.19378 
_refine.ls_R_factor_R_free                       0.25057 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.19080 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.102 
_refine.pdbx_overall_ESU_R_Free                  0.112 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             2.809 
_refine.overall_SU_ML                            0.088 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.60 
_refine_hist.d_res_low                        39.15 
_refine_hist.number_atoms_solvent             104 
_refine_hist.number_atoms_total               1114 
_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        1010 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.008  0.012  1071 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  990  ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 1.597  1.779  1454 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 0.565  1.796  2257 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 6.732  5.000  136  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 7.801  5.000  12   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 13.284 10.000 176  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.075  0.200  149  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.007  0.020  1382 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  294  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 2.017  2.365  535  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 2.008  2.364  535  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 2.758  4.238  674  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 2.779  4.245  675  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 3.679  2.896  536  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 3.677  2.904  537  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 5.663  5.072  781  ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 6.693  24.70  1302 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 6.660  24.23  1287 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.600 
_refine_ls_shell.d_res_low                        1.642 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             48 
_refine_ls_shell.number_reflns_R_work             1112 
_refine_ls_shell.percent_reflns_obs               100.00 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.R_factor_R_work                  0.664 
_refine_ls_shell.redundancy_reflns_all            ? 
_refine_ls_shell.redundancy_reflns_obs            ? 
_refine_ls_shell.wR_factor_all                    ? 
_refine_ls_shell.wR_factor_obs                    ? 
_refine_ls_shell.wR_factor_R_free                 ? 
_refine_ls_shell.wR_factor_R_work                 ? 
_refine_ls_shell.pdbx_R_complete                  ? 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.pdbx_phase_error                 ? 
_refine_ls_shell.pdbx_fsc_work                    ? 
_refine_ls_shell.pdbx_fsc_free                    ? 
_refine_ls_shell.R_factor_R_free                  0.554 
# 
_struct.entry_id                     9FA5 
_struct.title                        'Lysozyme structure at room temperature by serial synchrotron crystallography with COC chips' 
_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        9FA5 
_struct_keywords.text            'Lysozyme, hydrolase, Serial synchrotron crystallography, Fixed target' 
_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 3 ? 
D N N 4 ? 
E N N 5 ? 
# 
_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   
;KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPC
SALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_struct_ref.pdbx_align_begin           19 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9FA5 
_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                 129 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00698 
_struct_ref_seq.db_align_beg                  19 
_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       129 
# 
_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 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 430  ? 
1 MORE         -15  ? 
1 'SSA (A^2)'  6500 ? 
# 
_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 
# 
_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 4   ? HIS A 15  ? GLY A 4   HIS A 15  1 ? 12 
HELX_P HELX_P2 AA2 ASN A 19  ? TYR A 23  ? ASN A 19  TYR A 23  5 ? 5  
HELX_P HELX_P3 AA3 SER A 24  ? ASN A 37  ? SER A 24  ASN A 37  1 ? 14 
HELX_P HELX_P4 AA4 PRO A 79  ? SER A 85  ? PRO A 79  SER A 85  5 ? 7  
HELX_P HELX_P5 AA5 ILE A 88  ? SER A 100 ? ILE A 88  SER A 100 1 ? 13 
HELX_P HELX_P6 AA6 ASN A 103 ? ALA A 107 ? ASN A 103 ALA A 107 5 ? 5  
HELX_P HELX_P7 AA7 TRP A 108 ? CYS A 115 ? TRP A 108 CYS A 115 1 ? 8  
HELX_P HELX_P8 AA8 ASP A 119 ? ARG A 125 ? ASP A 119 ARG A 125 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 6  SG ? ? ? 1_555 A CYS 127 SG ? ? A CYS 6   A CYS 127 1_555 ? ? ? ? ? ? ? 1.963 ? ? 
disulf2 disulf ? ? A CYS 30 SG ? ? ? 1_555 A CYS 115 SG ? ? A CYS 30  A CYS 115 1_555 ? ? ? ? ? ? ? 2.035 ? ? 
disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 80  SG ? ? A CYS 64  A CYS 80  1_555 ? ? ? ? ? ? ? 2.029 ? ? 
disulf4 disulf ? ? A CYS 76 SG ? ? ? 1_555 A CYS 94  SG ? ? A CYS 76  A CYS 94  1_555 ? ? ? ? ? ? ? 2.019 ? ? 
metalc1 metalc ? ? A SER 60 O  ? ? ? 1_555 B NA  .   NA ? ? A SER 60  A NA  201 1_555 ? ? ? ? ? ? ? 2.273 ? ? 
metalc2 metalc ? ? A CYS 64 O  ? ? ? 1_555 B NA  .   NA ? ? A CYS 64  A NA  201 1_555 ? ? ? ? ? ? ? 2.329 ? ? 
metalc3 metalc ? ? A SER 72 OG ? ? ? 1_555 B NA  .   NA ? ? A SER 72  A NA  201 1_555 ? ? ? ? ? ? ? 2.552 ? ? 
metalc4 metalc ? ? A ARG 73 O  ? ? ? 1_555 B NA  .   NA ? ? A ARG 73  A NA  201 1_555 ? ? ? ? ? ? ? 2.581 ? ? 
metalc5 metalc ? ? B NA  .  NA ? ? ? 1_555 E HOH .   O  ? ? A NA  201 A HOH 340 1_555 ? ? ? ? ? ? ? 2.508 ? ? 
metalc6 metalc ? ? B NA  .  NA ? ? ? 1_555 E HOH .   O  ? ? A NA  201 A HOH 361 1_555 ? ? ? ? ? ? ? 2.465 ? ? 
# 
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 60 ? A SER 60  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A CYS 64 ? A CYS 64  ? 1_555 88.9  ? 
2  O  ? A SER 60 ? A SER 60  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 OG ? A SER 72 ? A SER 72  ? 1_555 98.7  ? 
3  O  ? A CYS 64 ? A CYS 64  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 OG ? A SER 72 ? A SER 72  ? 1_555 161.9 ? 
4  O  ? A SER 60 ? A SER 60  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A ARG 73 ? A ARG 73  ? 1_555 95.3  ? 
5  O  ? A CYS 64 ? A CYS 64  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A ARG 73 ? A ARG 73  ? 1_555 93.2  ? 
6  OG ? A SER 72 ? A SER 72  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A ARG 73 ? A ARG 73  ? 1_555 102.3 ? 
7  O  ? A SER 60 ? A SER 60  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? E HOH .  ? A HOH 340 ? 1_555 96.5  ? 
8  O  ? A CYS 64 ? A CYS 64  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? E HOH .  ? A HOH 340 ? 1_555 89.5  ? 
9  OG ? A SER 72 ? A SER 72  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? E HOH .  ? A HOH 340 ? 1_555 73.5  ? 
10 O  ? A ARG 73 ? A ARG 73  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? E HOH .  ? A HOH 340 ? 1_555 167.9 ? 
11 O  ? A SER 60 ? A SER 60  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? E HOH .  ? A HOH 361 ? 1_555 173.6 ? 
12 O  ? A CYS 64 ? A CYS 64  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? E HOH .  ? A HOH 361 ? 1_555 97.0  ? 
13 OG ? A SER 72 ? A SER 72  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? E HOH .  ? A HOH 361 ? 1_555 75.0  ? 
14 O  ? A ARG 73 ? A ARG 73  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? E HOH .  ? A HOH 361 ? 1_555 87.0  ? 
15 O  ? E HOH .  ? A HOH 340 ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? E HOH .  ? A HOH 361 ? 1_555 81.0  ? 
# 
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 6  ? CYS A 127 ? CYS A 6  ? 1_555 CYS A 127 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 30 ? CYS A 115 ? CYS A 30 ? 1_555 CYS A 115 ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 64 ? CYS A 80  ? CYS A 64 ? 1_555 CYS A 80  ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 76 ? CYS A 94  ? CYS A 76 ? 1_555 CYS A 94  ? 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 43 ? ARG A 45 ? THR A 43 ARG A 45 
AA1 2 THR A 51 ? TYR A 53 ? THR A 51 TYR A 53 
AA1 3 ILE A 58 ? ASN A 59 ? ILE A 58 ASN A 59 
# 
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 44 ? N ASN A 44 O ASP A 52 ? O ASP A 52 
AA1 2 3 N TYR A 53 ? N TYR A 53 O ILE A 58 ? O ILE A 58 
# 
_pdbx_entry_details.entry_id                   9FA5 
_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     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OD1 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   ASP 
_pdbx_validate_close_contact.auth_seq_id_1    18 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    301 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             1.89 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 356 ? E HOH . 
2 1 A HOH 371 ? E HOH . 
3 1 A HOH 395 ? E HOH . 
4 1 A HOH 399 ? E HOH . 
5 1 A HOH 404 ? E HOH . 
# 
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 
PEG C1   C  N N 252 
PEG O1   O  N N 253 
PEG C2   C  N N 254 
PEG O2   O  N N 255 
PEG C3   C  N N 256 
PEG C4   C  N N 257 
PEG O4   O  N N 258 
PEG H11  H  N N 259 
PEG H12  H  N N 260 
PEG HO1  H  N N 261 
PEG H21  H  N N 262 
PEG H22  H  N N 263 
PEG H31  H  N N 264 
PEG H32  H  N N 265 
PEG H41  H  N N 266 
PEG H42  H  N N 267 
PEG HO4  H  N N 268 
PHE N    N  N N 269 
PHE CA   C  N S 270 
PHE C    C  N N 271 
PHE O    O  N N 272 
PHE CB   C  N N 273 
PHE CG   C  Y N 274 
PHE CD1  C  Y N 275 
PHE CD2  C  Y N 276 
PHE CE1  C  Y N 277 
PHE CE2  C  Y N 278 
PHE CZ   C  Y N 279 
PHE OXT  O  N N 280 
PHE H    H  N N 281 
PHE H2   H  N N 282 
PHE HA   H  N N 283 
PHE HB2  H  N N 284 
PHE HB3  H  N N 285 
PHE HD1  H  N N 286 
PHE HD2  H  N N 287 
PHE HE1  H  N N 288 
PHE HE2  H  N N 289 
PHE HZ   H  N N 290 
PHE HXT  H  N N 291 
PRO N    N  N N 292 
PRO CA   C  N S 293 
PRO C    C  N N 294 
PRO O    O  N N 295 
PRO CB   C  N N 296 
PRO CG   C  N N 297 
PRO CD   C  N N 298 
PRO OXT  O  N N 299 
PRO H    H  N N 300 
PRO HA   H  N N 301 
PRO HB2  H  N N 302 
PRO HB3  H  N N 303 
PRO HG2  H  N N 304 
PRO HG3  H  N N 305 
PRO HD2  H  N N 306 
PRO HD3  H  N N 307 
PRO HXT  H  N N 308 
SER N    N  N N 309 
SER CA   C  N S 310 
SER C    C  N N 311 
SER O    O  N N 312 
SER CB   C  N N 313 
SER OG   O  N N 314 
SER OXT  O  N N 315 
SER H    H  N N 316 
SER H2   H  N N 317 
SER HA   H  N N 318 
SER HB2  H  N N 319 
SER HB3  H  N N 320 
SER HG   H  N N 321 
SER HXT  H  N N 322 
THR N    N  N N 323 
THR CA   C  N S 324 
THR C    C  N N 325 
THR O    O  N N 326 
THR CB   C  N R 327 
THR OG1  O  N N 328 
THR CG2  C  N N 329 
THR OXT  O  N N 330 
THR H    H  N N 331 
THR H2   H  N N 332 
THR HA   H  N N 333 
THR HB   H  N N 334 
THR HG1  H  N N 335 
THR HG21 H  N N 336 
THR HG22 H  N N 337 
THR HG23 H  N N 338 
THR HXT  H  N N 339 
TRP N    N  N N 340 
TRP CA   C  N S 341 
TRP C    C  N N 342 
TRP O    O  N N 343 
TRP CB   C  N N 344 
TRP CG   C  Y N 345 
TRP CD1  C  Y N 346 
TRP CD2  C  Y N 347 
TRP NE1  N  Y N 348 
TRP CE2  C  Y N 349 
TRP CE3  C  Y N 350 
TRP CZ2  C  Y N 351 
TRP CZ3  C  Y N 352 
TRP CH2  C  Y N 353 
TRP OXT  O  N N 354 
TRP H    H  N N 355 
TRP H2   H  N N 356 
TRP HA   H  N N 357 
TRP HB2  H  N N 358 
TRP HB3  H  N N 359 
TRP HD1  H  N N 360 
TRP HE1  H  N N 361 
TRP HE3  H  N N 362 
TRP HZ2  H  N N 363 
TRP HZ3  H  N N 364 
TRP HH2  H  N N 365 
TRP HXT  H  N N 366 
TYR N    N  N N 367 
TYR CA   C  N S 368 
TYR C    C  N N 369 
TYR O    O  N N 370 
TYR CB   C  N N 371 
TYR CG   C  Y N 372 
TYR CD1  C  Y N 373 
TYR CD2  C  Y N 374 
TYR CE1  C  Y N 375 
TYR CE2  C  Y N 376 
TYR CZ   C  Y N 377 
TYR OH   O  N N 378 
TYR OXT  O  N N 379 
TYR H    H  N N 380 
TYR H2   H  N N 381 
TYR HA   H  N N 382 
TYR HB2  H  N N 383 
TYR HB3  H  N N 384 
TYR HD1  H  N N 385 
TYR HD2  H  N N 386 
TYR HE1  H  N N 387 
TYR HE2  H  N N 388 
TYR HH   H  N N 389 
TYR HXT  H  N N 390 
VAL N    N  N N 391 
VAL CA   C  N S 392 
VAL C    C  N N 393 
VAL O    O  N N 394 
VAL CB   C  N N 395 
VAL CG1  C  N N 396 
VAL CG2  C  N N 397 
VAL OXT  O  N N 398 
VAL H    H  N N 399 
VAL H2   H  N N 400 
VAL HA   H  N N 401 
VAL HB   H  N N 402 
VAL HG11 H  N N 403 
VAL HG12 H  N N 404 
VAL HG13 H  N N 405 
VAL HG21 H  N N 406 
VAL HG22 H  N N 407 
VAL HG23 H  N N 408 
VAL HXT  H  N N 409 
# 
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 
PEG C1  O1   sing N N 237 
PEG C1  C2   sing N N 238 
PEG C1  H11  sing N N 239 
PEG C1  H12  sing N N 240 
PEG O1  HO1  sing N N 241 
PEG C2  O2   sing N N 242 
PEG C2  H21  sing N N 243 
PEG C2  H22  sing N N 244 
PEG O2  C3   sing N N 245 
PEG C3  C4   sing N N 246 
PEG C3  H31  sing N N 247 
PEG C3  H32  sing N N 248 
PEG C4  O4   sing N N 249 
PEG C4  H41  sing N N 250 
PEG C4  H42  sing N N 251 
PEG O4  HO4  sing N N 252 
PHE N   CA   sing N N 253 
PHE N   H    sing N N 254 
PHE N   H2   sing N N 255 
PHE CA  C    sing N N 256 
PHE CA  CB   sing N N 257 
PHE CA  HA   sing N N 258 
PHE C   O    doub N N 259 
PHE C   OXT  sing N N 260 
PHE CB  CG   sing N N 261 
PHE CB  HB2  sing N N 262 
PHE CB  HB3  sing N N 263 
PHE CG  CD1  doub Y N 264 
PHE CG  CD2  sing Y N 265 
PHE CD1 CE1  sing Y N 266 
PHE CD1 HD1  sing N N 267 
PHE CD2 CE2  doub Y N 268 
PHE CD2 HD2  sing N N 269 
PHE CE1 CZ   doub Y N 270 
PHE CE1 HE1  sing N N 271 
PHE CE2 CZ   sing Y N 272 
PHE CE2 HE2  sing N N 273 
PHE CZ  HZ   sing N N 274 
PHE OXT HXT  sing N N 275 
PRO N   CA   sing N N 276 
PRO N   CD   sing N N 277 
PRO N   H    sing N N 278 
PRO CA  C    sing N N 279 
PRO CA  CB   sing N N 280 
PRO CA  HA   sing N N 281 
PRO C   O    doub N N 282 
PRO C   OXT  sing N N 283 
PRO CB  CG   sing N N 284 
PRO CB  HB2  sing N N 285 
PRO CB  HB3  sing N N 286 
PRO CG  CD   sing N N 287 
PRO CG  HG2  sing N N 288 
PRO CG  HG3  sing N N 289 
PRO CD  HD2  sing N N 290 
PRO CD  HD3  sing N N 291 
PRO OXT HXT  sing N N 292 
SER N   CA   sing N N 293 
SER N   H    sing N N 294 
SER N   H2   sing N N 295 
SER CA  C    sing N N 296 
SER CA  CB   sing N N 297 
SER CA  HA   sing N N 298 
SER C   O    doub N N 299 
SER C   OXT  sing N N 300 
SER CB  OG   sing N N 301 
SER CB  HB2  sing N N 302 
SER CB  HB3  sing N N 303 
SER OG  HG   sing N N 304 
SER OXT HXT  sing N N 305 
THR N   CA   sing N N 306 
THR N   H    sing N N 307 
THR N   H2   sing N N 308 
THR CA  C    sing N N 309 
THR CA  CB   sing N N 310 
THR CA  HA   sing N N 311 
THR C   O    doub N N 312 
THR C   OXT  sing N N 313 
THR CB  OG1  sing N N 314 
THR CB  CG2  sing N N 315 
THR CB  HB   sing N N 316 
THR OG1 HG1  sing N N 317 
THR CG2 HG21 sing N N 318 
THR CG2 HG22 sing N N 319 
THR CG2 HG23 sing N N 320 
THR OXT HXT  sing N N 321 
TRP N   CA   sing N N 322 
TRP N   H    sing N N 323 
TRP N   H2   sing N N 324 
TRP CA  C    sing N N 325 
TRP CA  CB   sing N N 326 
TRP CA  HA   sing N N 327 
TRP C   O    doub N N 328 
TRP C   OXT  sing N N 329 
TRP CB  CG   sing N N 330 
TRP CB  HB2  sing N N 331 
TRP CB  HB3  sing N N 332 
TRP CG  CD1  doub Y N 333 
TRP CG  CD2  sing Y N 334 
TRP CD1 NE1  sing Y N 335 
TRP CD1 HD1  sing N N 336 
TRP CD2 CE2  doub Y N 337 
TRP CD2 CE3  sing Y N 338 
TRP NE1 CE2  sing Y N 339 
TRP NE1 HE1  sing N N 340 
TRP CE2 CZ2  sing Y N 341 
TRP CE3 CZ3  doub Y N 342 
TRP CE3 HE3  sing N N 343 
TRP CZ2 CH2  doub Y N 344 
TRP CZ2 HZ2  sing N N 345 
TRP CZ3 CH2  sing Y N 346 
TRP CZ3 HZ3  sing N N 347 
TRP CH2 HH2  sing N N 348 
TRP OXT HXT  sing N N 349 
TYR N   CA   sing N N 350 
TYR N   H    sing N N 351 
TYR N   H2   sing N N 352 
TYR CA  C    sing N N 353 
TYR CA  CB   sing N N 354 
TYR CA  HA   sing N N 355 
TYR C   O    doub N N 356 
TYR C   OXT  sing N N 357 
TYR CB  CG   sing N N 358 
TYR CB  HB2  sing N N 359 
TYR CB  HB3  sing N N 360 
TYR CG  CD1  doub Y N 361 
TYR CG  CD2  sing Y N 362 
TYR CD1 CE1  sing Y N 363 
TYR CD1 HD1  sing N N 364 
TYR CD2 CE2  doub Y N 365 
TYR CD2 HD2  sing N N 366 
TYR CE1 CZ   doub Y N 367 
TYR CE1 HE1  sing N N 368 
TYR CE2 CZ   sing Y N 369 
TYR CE2 HE2  sing N N 370 
TYR CZ  OH   sing N N 371 
TYR OH  HH   sing N N 372 
TYR OXT HXT  sing N N 373 
VAL N   CA   sing N N 374 
VAL N   H    sing N N 375 
VAL N   H2   sing N N 376 
VAL CA  C    sing N N 377 
VAL CA  CB   sing N N 378 
VAL CA  HA   sing N N 379 
VAL C   O    doub N N 380 
VAL C   OXT  sing N N 381 
VAL CB  CG1  sing N N 382 
VAL CB  CG2  sing N N 383 
VAL CB  HB   sing N N 384 
VAL CG1 HG11 sing N N 385 
VAL CG1 HG12 sing N N 386 
VAL CG1 HG13 sing N N 387 
VAL CG2 HG21 sing N N 388 
VAL CG2 HG22 sing N N 389 
VAL CG2 HG23 sing N N 390 
VAL OXT HXT  sing N N 391 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Agencia Estatal de Investigacion (AEI)' Spain CNS2022-135713       1 
'Comunidad de Madrid'                    Spain CAM_2019-T1BMD-15552 2 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   5UVJ 
_pdbx_initial_refinement_model.details          ? 
# 
_pdbx_serial_crystallography_sample_delivery.diffrn_id     1 
_pdbx_serial_crystallography_sample_delivery.description   ? 
_pdbx_serial_crystallography_sample_delivery.method        'fixed target' 
# 
_atom_sites.entry_id                    9FA5 
_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]   0.012771 
_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]   0.012771 
_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]   0.026247 
_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 1   ? 9.955  3.305   8.822   1.00 23.12 ? 1   LYS A N   1 
ATOM   2    C  CA  . LYS A 1 1   ? 10.356 2.383   9.912   1.00 24.04 ? 1   LYS A CA  1 
ATOM   3    C  C   . LYS A 1 1   ? 11.864 2.482   10.115  1.00 22.98 ? 1   LYS A C   1 
ATOM   4    O  O   . LYS A 1 1   ? 12.631 2.467   9.147   1.00 22.76 ? 1   LYS A O   1 
ATOM   5    C  CB  . LYS A 1 1   ? 9.952  0.962   9.502   1.00 24.44 ? 1   LYS A CB  1 
ATOM   6    C  CG  . LYS A 1 1   ? 10.392 -0.158  10.392  1.00 27.31 ? 1   LYS A CG  1 
ATOM   7    C  CD  . LYS A 1 1   ? 9.854  -1.518  9.965   1.00 29.78 ? 1   LYS A CD  1 
ATOM   8    C  CE  . LYS A 1 1   ? 10.313 -2.645  10.861  1.00 32.64 ? 1   LYS A CE  1 
ATOM   9    N  NZ  . LYS A 1 1   ? 10.334 -2.198  12.255  1.00 36.92 ? 1   LYS A NZ  1 
ATOM   10   N  N   . VAL A 1 2   ? 12.262 2.576   11.379  1.00 21.13 ? 2   VAL A N   1 
ATOM   11   C  CA  . VAL A 1 2   ? 13.655 2.496   11.756  1.00 22.37 ? 2   VAL A CA  1 
ATOM   12   C  C   . VAL A 1 2   ? 13.929 1.080   12.261  1.00 25.76 ? 2   VAL A C   1 
ATOM   13   O  O   . VAL A 1 2   ? 13.418 0.669   13.304  1.00 31.00 ? 2   VAL A O   1 
ATOM   14   C  CB  . VAL A 1 2   ? 14.056 3.578   12.772  1.00 22.59 ? 2   VAL A CB  1 
ATOM   15   C  CG1 . VAL A 1 2   ? 15.493 3.427   13.246  1.00 23.46 ? 2   VAL A CG1 1 
ATOM   16   C  CG2 . VAL A 1 2   ? 13.876 4.972   12.198  1.00 22.17 ? 2   VAL A CG2 1 
ATOM   17   N  N   . PHE A 1 3   ? 14.688 0.310   11.479  1.00 23.04 ? 3   PHE A N   1 
ATOM   18   C  CA  . PHE A 1 3   ? 14.958 -1.080  11.820  1.00 22.59 ? 3   PHE A CA  1 
ATOM   19   C  C   . PHE A 1 3   ? 15.988 -1.127  12.940  1.00 23.89 ? 3   PHE A C   1 
ATOM   20   O  O   . PHE A 1 3   ? 16.865 -0.274  13.024  1.00 24.66 ? 3   PHE A O   1 
ATOM   21   C  CB  . PHE A 1 3   ? 15.495 -1.894  10.637  1.00 23.33 ? 3   PHE A CB  1 
ATOM   22   C  CG  . PHE A 1 3   ? 14.439 -2.418  9.675   1.00 23.59 ? 3   PHE A CG  1 
ATOM   23   C  CD1 . PHE A 1 3   ? 13.918 -1.614  8.662   1.00 23.57 ? 3   PHE A CD1 1 
ATOM   24   C  CD2 . PHE A 1 3   ? 13.968 -3.720  9.792   1.00 23.78 ? 3   PHE A CD2 1 
ATOM   25   C  CE1 . PHE A 1 3   ? 12.954 -2.107  7.808   1.00 26.59 ? 3   PHE A CE1 1 
ATOM   26   C  CE2 . PHE A 1 3   ? 13.008 -4.205  8.936   1.00 27.59 ? 3   PHE A CE2 1 
ATOM   27   C  CZ  . PHE A 1 3   ? 12.519 -3.406  7.926   1.00 29.67 ? 3   PHE A CZ  1 
ATOM   28   N  N   . GLY A 1 4   ? 15.865 -2.130  13.823  1.00 24.26 ? 4   GLY A N   1 
ATOM   29   C  CA  . GLY A 1 4   ? 17.002 -2.573  14.606  1.00 26.39 ? 4   GLY A CA  1 
ATOM   30   C  C   . GLY A 1 4   ? 17.970 -3.362  13.724  1.00 24.33 ? 4   GLY A C   1 
ATOM   31   O  O   . GLY A 1 4   ? 17.589 -3.880  12.678  1.00 24.97 ? 4   GLY A O   1 
ATOM   32   N  N   . ARG A 1 5   ? 19.223 -3.483  14.181  1.00 25.94 ? 5   ARG A N   1 
ATOM   33   C  CA  . ARG A 1 5   ? 20.264 -4.113  13.395  1.00 24.88 ? 5   ARG A CA  1 
ATOM   34   C  C   . ARG A 1 5   ? 19.877 -5.556  13.069  1.00 23.88 ? 5   ARG A C   1 
ATOM   35   O  O   . ARG A 1 5   ? 19.863 -5.953  11.913  1.00 22.36 ? 5   ARG A O   1 
ATOM   36   C  CB  . ARG A 1 5   ? 21.550 -3.956  14.189  1.00 25.88 ? 5   ARG A CB  1 
ATOM   37   C  CG  . ARG A 1 5   ? 22.777 -4.628  13.613  1.00 26.47 ? 5   ARG A CG  1 
ATOM   38   C  CD  . ARG A 1 5   ? 23.960 -4.290  14.504  1.00 27.87 ? 5   ARG A CD  1 
ATOM   39   N  NE  . ARG A 1 5   ? 23.814 -4.833  15.855  1.00 30.46 ? 5   ARG A NE  1 
ATOM   40   C  CZ  . ARG A 1 5   ? 24.107 -6.063  16.262  1.00 33.03 ? 5   ARG A CZ  1 
ATOM   41   N  NH1 . ARG A 1 5   ? 24.533 -6.989  15.425  1.00 34.19 ? 5   ARG A NH1 1 
ATOM   42   N  NH2 . ARG A 1 5   ? 23.981 -6.360  17.545  1.00 34.69 ? 5   ARG A NH2 1 
ATOM   43   N  N   . CYS A 1 6   ? 19.543 -6.354  14.091  1.00 26.33 ? 6   CYS A N   1 
ATOM   44   C  CA  . CYS A 1 6   ? 19.255 -7.764  13.864  1.00 25.37 ? 6   CYS A CA  1 
ATOM   45   C  C   . CYS A 1 6   ? 17.924 -7.943  13.152  1.00 22.53 ? 6   CYS A C   1 
ATOM   46   O  O   . CYS A 1 6   ? 17.730 -8.873  12.379  1.00 25.87 ? 6   CYS A O   1 
ATOM   47   C  CB  . CYS A 1 6   ? 19.275 -8.520  15.191  1.00 26.62 ? 6   CYS A CB  1 
ATOM   48   S  SG  . CYS A 1 6   ? 20.904 -8.511  15.979  1.00 27.70 ? 6   CYS A SG  1 
ATOM   49   N  N   . GLU A 1 7   ? 16.973 -7.057  13.443  1.00 22.00 ? 7   GLU A N   1 
ATOM   50   C  CA  . GLU A 1 7   ? 15.698 -7.102  12.763  1.00 20.99 ? 7   GLU A CA  1 
ATOM   51   C  C   . GLU A 1 7   ? 15.924 -6.993  11.259  1.00 21.62 ? 7   GLU A C   1 
ATOM   52   O  O   . GLU A 1 7   ? 15.385 -7.758  10.460  1.00 23.78 ? 7   GLU A O   1 
ATOM   53   C  CB  . GLU A 1 7   ? 14.876 -5.937  13.310  1.00 23.10 ? 7   GLU A CB  1 
ATOM   54   C  CG  . GLU A 1 7   ? 13.467 -5.923  12.753  1.00 26.38 ? 7   GLU A CG  1 
ATOM   55   C  CD  . GLU A 1 7   ? 12.658 -4.716  13.170  1.00 30.17 ? 7   GLU A CD  1 
ATOM   56   O  OE1 . GLU A 1 7   ? 13.239 -3.706  13.650  1.00 32.25 ? 7   GLU A OE1 1 
ATOM   57   O  OE2 . GLU A 1 7   ? 11.416 -4.829  12.978  1.00 33.94 ? 7   GLU A OE2 1 
ATOM   58   N  N   . LEU A 1 8   ? 16.762 -6.035  10.868  1.00 21.65 ? 8   LEU A N   1 
ATOM   59   C  CA  . LEU A 1 8   ? 17.039 -5.808  9.458   1.00 21.22 ? 8   LEU A CA  1 
ATOM   60   C  C   . LEU A 1 8   ? 17.835 -6.976  8.875   1.00 21.04 ? 8   LEU A C   1 
ATOM   61   O  O   . LEU A 1 8   ? 17.571 -7.380  7.758   1.00 19.23 ? 8   LEU A O   1 
ATOM   62   C  CB  . LEU A 1 8   ? 17.769 -4.484  9.252   1.00 22.25 ? 8   LEU A CB  1 
ATOM   63   C  CG  . LEU A 1 8   ? 18.138 -4.167  7.798   1.00 23.94 ? 8   LEU A CG  1 
ATOM   64   C  CD1 . LEU A 1 8   ? 16.867 -3.949  6.987   1.00 25.40 ? 8   LEU A CD1 1 
ATOM   65   C  CD2 . LEU A 1 8   ? 19.077 -2.968  7.757   1.00 25.34 ? 8   LEU A CD2 1 
ATOM   66   N  N   . ALA A 1 9   ? 18.839 -7.460  9.607   1.00 21.04 ? 9   ALA A N   1 
ATOM   67   C  CA  . ALA A 1 9   ? 19.632 -8.603  9.165   1.00 21.91 ? 9   ALA A CA  1 
ATOM   68   C  C   . ALA A 1 9   ? 18.695 -9.748  8.798   1.00 22.44 ? 9   ALA A C   1 
ATOM   69   O  O   . ALA A 1 9   ? 18.802 -10.347 7.749   1.00 21.95 ? 9   ALA A O   1 
ATOM   70   C  CB  . ALA A 1 9   ? 20.628 -9.001  10.249  1.00 21.78 ? 9   ALA A CB  1 
ATOM   71   N  N   . ALA A 1 10  ? 17.709 -10.008 9.658   1.00 24.72 ? 10  ALA A N   1 
ATOM   72   C  CA  . ALA A 1 10  ? 16.786 -11.114 9.439   1.00 23.92 ? 10  ALA A CA  1 
ATOM   73   C  C   . ALA A 1 10  ? 15.888 -10.854 8.232   1.00 21.49 ? 10  ALA A C   1 
ATOM   74   O  O   . ALA A 1 10  ? 15.619 -11.759 7.459   1.00 21.91 ? 10  ALA A O   1 
ATOM   75   C  CB  . ALA A 1 10  ? 15.985 -11.354 10.704  1.00 25.22 ? 10  ALA A CB  1 
ATOM   76   N  N   . ALA A 1 11  ? 15.388 -9.627  8.060   1.00 22.80 ? 11  ALA A N   1 
ATOM   77   C  CA  . ALA A 1 11  ? 14.571 -9.304  6.902   1.00 24.04 ? 11  ALA A CA  1 
ATOM   78   C  C   . ALA A 1 11  ? 15.376 -9.454  5.605   1.00 23.72 ? 11  ALA A C   1 
ATOM   79   O  O   . ALA A 1 11  ? 14.884 -9.977  4.603   1.00 22.69 ? 11  ALA A O   1 
ATOM   80   C  CB  . ALA A 1 11  ? 14.017 -7.898  7.058   1.00 27.13 ? 11  ALA A CB  1 
ATOM   81   N  N   . MET A 1 12  ? 16.633 -8.994  5.612   1.00 22.55 ? 12  MET A N   1 
ATOM   82   C  CA  . MET A 1 12  ? 17.435 -9.109  4.406   1.00 23.47 ? 12  MET A CA  1 
ATOM   83   C  C   . MET A 1 12  ? 17.722 -10.575 4.095   1.00 22.75 ? 12  MET A C   1 
ATOM   84   O  O   . MET A 1 12  ? 17.722 -10.966 2.939   1.00 26.03 ? 12  MET A O   1 
ATOM   85   C  CB  . MET A 1 12  ? 18.735 -8.329  4.570   1.00 22.85 ? 12  MET A CB  1 
ATOM   86   C  CG  . MET A 1 12  ? 18.495 -6.834  4.491   1.00 22.32 ? 12  MET A CG  1 
ATOM   87   S  SD  . MET A 1 12  ? 20.034 -5.943  4.789   1.00 23.74 ? 12  MET A SD  1 
ATOM   88   C  CE  . MET A 1 12  ? 19.655 -4.410  3.933   1.00 23.14 ? 12  MET A CE  1 
ATOM   89   N  N   . LYS A 1 13  ? 18.032 -11.358 5.126   1.00 26.70 ? 13  LYS A N   1 
ATOM   90   C  CA  . LYS A 1 13  ? 18.301 -12.776 4.971   1.00 27.29 ? 13  LYS A CA  1 
ATOM   91   C  C   . LYS A 1 13  ? 17.099 -13.447 4.306   1.00 25.30 ? 13  LYS A C   1 
ATOM   92   O  O   . LYS A 1 13  ? 17.238 -14.249 3.386   1.00 28.18 ? 13  LYS A O   1 
ATOM   93   C  CB  . LYS A 1 13  ? 18.609 -13.393 6.341   1.00 30.11 ? 13  LYS A CB  1 
ATOM   94   C  CG  . LYS A 1 13  ? 18.942 -14.859 6.210   1.00 37.83 ? 13  LYS A CG  1 
ATOM   95   C  CD  . LYS A 1 13  ? 19.818 -15.479 7.280   1.00 43.40 ? 13  LYS A CD  1 
ATOM   96   C  CE  . LYS A 1 13  ? 20.306 -16.826 6.809   1.00 48.02 ? 13  LYS A CE  1 
ATOM   97   N  NZ  . LYS A 1 13  ? 20.908 -17.530 7.941   1.00 52.71 ? 13  LYS A NZ  1 
ATOM   98   N  N   . ARG A 1 14  ? 15.900 -13.087 4.774   1.00 27.19 ? 14  ARG A N   1 
ATOM   99   C  CA  . ARG A 1 14  ? 14.676 -13.708 4.288   1.00 29.64 ? 14  ARG A CA  1 
ATOM   100  C  C   . ARG A 1 14  ? 14.506 -13.394 2.804   1.00 30.97 ? 14  ARG A C   1 
ATOM   101  O  O   . ARG A 1 14  ? 14.032 -14.237 2.053   1.00 26.44 ? 14  ARG A O   1 
ATOM   102  C  CB  . ARG A 1 14  ? 13.504 -13.246 5.160   1.00 32.54 ? 14  ARG A CB  1 
ATOM   103  C  CG  . ARG A 1 14  ? 12.178 -13.941 4.891   1.00 45.33 ? 14  ARG A CG  1 
ATOM   104  C  CD  . ARG A 1 14  ? 11.180 -13.625 6.000   1.00 49.13 ? 14  ARG A CD  1 
ATOM   105  N  NE  . ARG A 1 14  ? 10.577 -12.294 5.891   1.00 56.22 ? 14  ARG A NE  1 
ATOM   106  C  CZ  . ARG A 1 14  ? 9.639  -11.942 5.015   1.00 54.76 ? 14  ARG A CZ  1 
ATOM   107  N  NH1 . ARG A 1 14  ? 9.202  -12.798 4.092   1.00 52.44 ? 14  ARG A NH1 1 
ATOM   108  N  NH2 . ARG A 1 14  ? 9.152  -10.716 5.072   1.00 52.12 ? 14  ARG A NH2 1 
ATOM   109  N  N   . HIS A 1 15  ? 14.937 -12.193 2.387   1.00 28.05 ? 15  HIS A N   1 
ATOM   110  C  CA  . HIS A 1 15  ? 14.743 -11.722 1.024   1.00 27.43 ? 15  HIS A CA  1 
ATOM   111  C  C   . HIS A 1 15  ? 15.901 -12.077 0.081   1.00 27.31 ? 15  HIS A C   1 
ATOM   112  O  O   . HIS A 1 15  ? 15.918 -11.573 -1.035  1.00 28.21 ? 15  HIS A O   1 
ATOM   113  C  CB  . HIS A 1 15  ? 14.510 -10.210 1.020   1.00 31.06 ? 15  HIS A CB  1 
ATOM   114  C  CG  . HIS A 1 15  ? 13.126 -9.862  1.405   1.00 32.32 ? 15  HIS A CG  1 
ATOM   115  N  ND1 . HIS A 1 15  ? 12.760 -9.375  2.642   1.00 34.23 ? 15  HIS A ND1 1 
ATOM   116  C  CD2 . HIS A 1 15  ? 12.018 -9.963  0.682   1.00 33.57 ? 15  HIS A CD2 1 
ATOM   117  C  CE1 . HIS A 1 15  ? 11.444 -9.176  2.647   1.00 35.65 ? 15  HIS A CE1 1 
ATOM   118  N  NE2 . HIS A 1 15  ? 10.977 -9.528  1.465   1.00 36.68 ? 15  HIS A NE2 1 
ATOM   119  N  N   . GLY A 1 16  ? 16.819 -12.964 0.509   1.00 26.13 ? 16  GLY A N   1 
ATOM   120  C  CA  . GLY A 1 16  ? 17.782 -13.605 -0.376  1.00 27.84 ? 16  GLY A CA  1 
ATOM   121  C  C   . GLY A 1 16  ? 19.090 -12.822 -0.569  1.00 26.40 ? 16  GLY A C   1 
ATOM   122  O  O   . GLY A 1 16  ? 19.814 -13.082 -1.534  1.00 27.05 ? 16  GLY A O   1 
ATOM   123  N  N   . LEU A 1 17  ? 19.412 -11.902 0.360   1.00 25.99 ? 17  LEU A N   1 
ATOM   124  C  CA  . LEU A 1 17  ? 20.581 -11.039 0.227   1.00 26.56 ? 17  LEU A CA  1 
ATOM   125  C  C   . LEU A 1 17  ? 21.836 -11.687 0.780   1.00 27.27 ? 17  LEU A C   1 
ATOM   126  O  O   . LEU A 1 17  ? 22.927 -11.279 0.394   1.00 28.10 ? 17  LEU A O   1 
ATOM   127  C  CB  . LEU A 1 17  ? 20.374 -9.672  0.883   1.00 24.71 ? 17  LEU A CB  1 
ATOM   128  C  CG  . LEU A 1 17  ? 19.581 -8.655  0.072   1.00 24.68 ? 17  LEU A CG  1 
ATOM   129  C  CD1 . LEU A 1 17  ? 19.550 -7.325  0.802   1.00 25.73 ? 17  LEU A CD1 1 
ATOM   130  C  CD2 . LEU A 1 17  ? 20.154 -8.474  -1.335  1.00 26.68 ? 17  LEU A CD2 1 
ATOM   131  N  N   . ASP A 1 18  ? 21.712 -12.649 1.701   1.00 26.72 ? 18  ASP A N   1 
ATOM   132  C  CA  . ASP A 1 18  ? 22.882 -13.269 2.294   1.00 28.63 ? 18  ASP A CA  1 
ATOM   133  C  C   . ASP A 1 18  ? 23.665 -14.006 1.210   1.00 29.34 ? 18  ASP A C   1 
ATOM   134  O  O   . ASP A 1 18  ? 23.155 -14.948 0.611   1.00 29.36 ? 18  ASP A O   1 
ATOM   135  C  CB  . ASP A 1 18  ? 22.529 -14.176 3.459   1.00 32.54 ? 18  ASP A CB  1 
ATOM   136  C  CG  . ASP A 1 18  ? 23.692 -14.665 4.316   1.00 36.83 ? 18  ASP A CG  1 
ATOM   137  O  OD1 . ASP A 1 18  ? 24.824 -14.111 4.196   1.00 37.54 ? 18  ASP A OD1 1 
ATOM   138  O  OD2 . ASP A 1 18  ? 23.458 -15.585 5.126   1.00 46.62 ? 18  ASP A OD2 1 
ATOM   139  N  N   A ASN A 1 19  ? 24.893 -13.542 0.954   0.50 25.16 ? 19  ASN A N   1 
ATOM   140  N  N   B ASN A 1 19  ? 24.897 -13.532 0.974   0.50 26.49 ? 19  ASN A N   1 
ATOM   141  C  CA  A ASN A 1 19  ? 25.756 -14.127 -0.049  0.50 26.11 ? 19  ASN A CA  1 
ATOM   142  C  CA  B ASN A 1 19  ? 25.804 -14.022 -0.045  0.50 28.28 ? 19  ASN A CA  1 
ATOM   143  C  C   A ASN A 1 19  ? 25.228 -13.835 -1.455  0.50 26.29 ? 19  ASN A C   1 
ATOM   144  C  C   B ASN A 1 19  ? 25.233 -13.820 -1.446  0.50 27.56 ? 19  ASN A C   1 
ATOM   145  O  O   A ASN A 1 19  ? 25.675 -14.462 -2.405  0.50 26.16 ? 19  ASN A O   1 
ATOM   146  O  O   B ASN A 1 19  ? 25.659 -14.489 -2.378  0.50 27.39 ? 19  ASN A O   1 
ATOM   147  C  CB  A ASN A 1 19  ? 25.966 -15.626 0.189   0.50 27.29 ? 19  ASN A CB  1 
ATOM   148  C  CB  B ASN A 1 19  ? 26.219 -15.475 0.172   0.50 32.43 ? 19  ASN A CB  1 
ATOM   149  C  CG  A ASN A 1 19  ? 26.646 -15.919 1.509   0.50 28.56 ? 19  ASN A CG  1 
ATOM   150  C  CG  B ASN A 1 19  ? 27.607 -15.713 -0.381  0.50 35.78 ? 19  ASN A CG  1 
ATOM   151  O  OD1 A ASN A 1 19  ? 26.328 -16.907 2.185   0.50 31.13 ? 19  ASN A OD1 1 
ATOM   152  O  OD1 B ASN A 1 19  ? 28.547 -15.010 0.003   0.50 36.81 ? 19  ASN A OD1 1 
ATOM   153  N  ND2 A ASN A 1 19  ? 27.604 -15.090 1.885   0.50 29.32 ? 19  ASN A ND2 1 
ATOM   154  N  ND2 B ASN A 1 19  ? 27.760 -16.657 -1.299  0.50 39.25 ? 19  ASN A ND2 1 
ATOM   155  N  N   . TYR A 1 20  ? 24.323 -12.857 -1.621  1.00 26.96 ? 20  TYR A N   1 
ATOM   156  C  CA  . TYR A 1 20  ? 23.861 -12.512 -2.956  1.00 23.90 ? 20  TYR A CA  1 
ATOM   157  C  C   . TYR A 1 20  ? 25.038 -11.917 -3.729  1.00 27.22 ? 20  TYR A C   1 
ATOM   158  O  O   . TYR A 1 20  ? 25.647 -10.955 -3.264  1.00 23.27 ? 20  TYR A O   1 
ATOM   159  C  CB  . TYR A 1 20  ? 22.710 -11.518 -2.998  1.00 24.99 ? 20  TYR A CB  1 
ATOM   160  C  CG  . TYR A 1 20  ? 22.092 -11.393 -4.371  1.00 24.50 ? 20  TYR A CG  1 
ATOM   161  C  CD1 . TYR A 1 20  ? 21.174 -12.335 -4.816  1.00 27.87 ? 20  TYR A CD1 1 
ATOM   162  C  CD2 . TYR A 1 20  ? 22.427 -10.357 -5.211  1.00 24.05 ? 20  TYR A CD2 1 
ATOM   163  C  CE1 . TYR A 1 20  ? 20.633 -12.255 -6.086  1.00 31.67 ? 20  TYR A CE1 1 
ATOM   164  C  CE2 . TYR A 1 20  ? 21.890 -10.256 -6.476  1.00 26.67 ? 20  TYR A CE2 1 
ATOM   165  C  CZ  . TYR A 1 20  ? 20.983 -11.200 -6.906  1.00 28.53 ? 20  TYR A CZ  1 
ATOM   166  O  OH  . TYR A 1 20  ? 20.454 -11.092 -8.139  1.00 30.05 ? 20  TYR A OH  1 
ATOM   167  N  N   . ARG A 1 21  ? 25.360 -12.549 -4.874  1.00 25.58 ? 21  ARG A N   1 
ATOM   168  C  CA  . ARG A 1 21  ? 26.524 -12.252 -5.701  1.00 27.38 ? 21  ARG A CA  1 
ATOM   169  C  C   . ARG A 1 21  ? 27.791 -12.145 -4.860  1.00 24.17 ? 21  ARG A C   1 
ATOM   170  O  O   . ARG A 1 21  ? 28.656 -11.314 -5.134  1.00 23.91 ? 21  ARG A O   1 
ATOM   171  C  CB  . ARG A 1 21  ? 26.277 -10.996 -6.554  1.00 31.86 ? 21  ARG A CB  1 
ATOM   172  C  CG  . ARG A 1 21  ? 25.491 -11.314 -7.815  1.00 38.88 ? 21  ARG A CG  1 
ATOM   173  C  CD  . ARG A 1 21  ? 25.813 -10.374 -8.943  1.00 49.13 ? 21  ARG A CD  1 
ATOM   174  N  NE  . ARG A 1 21  ? 25.621 -10.957 -10.279 1.00 58.60 ? 21  ARG A NE  1 
ATOM   175  C  CZ  . ARG A 1 21  ? 26.466 -10.793 -11.300 1.00 59.86 ? 21  ARG A CZ  1 
ATOM   176  N  NH1 . ARG A 1 21  ? 27.539 -10.025 -11.181 1.00 53.57 ? 21  ARG A NH1 1 
ATOM   177  N  NH2 . ARG A 1 21  ? 26.233 -11.403 -12.447 1.00 67.23 ? 21  ARG A NH2 1 
ATOM   178  N  N   . GLY A 1 22  ? 27.907 -13.004 -3.849  1.00 21.91 ? 22  GLY A N   1 
ATOM   179  C  CA  . GLY A 1 22  ? 29.120 -13.111 -3.062  1.00 23.51 ? 22  GLY A CA  1 
ATOM   180  C  C   . GLY A 1 22  ? 29.205 -12.132 -1.891  1.00 21.38 ? 22  GLY A C   1 
ATOM   181  O  O   . GLY A 1 22  ? 30.201 -12.147 -1.186  1.00 23.17 ? 22  GLY A O   1 
ATOM   182  N  N   . TYR A 1 23  ? 28.173 -11.309 -1.642  1.00 22.68 ? 23  TYR A N   1 
ATOM   183  C  CA  . TYR A 1 23  ? 28.231 -10.364 -0.530  1.00 20.18 ? 23  TYR A CA  1 
ATOM   184  C  C   . TYR A 1 23  ? 27.494 -10.921 0.683   1.00 19.97 ? 23  TYR A C   1 
ATOM   185  O  O   . TYR A 1 23  ? 26.272 -11.053 0.653   1.00 21.82 ? 23  TYR A O   1 
ATOM   186  C  CB  . TYR A 1 23  ? 27.631 -9.013  -0.900  1.00 20.16 ? 23  TYR A CB  1 
ATOM   187  C  CG  . TYR A 1 23  ? 28.465 -8.316  -1.943  1.00 18.59 ? 23  TYR A CG  1 
ATOM   188  C  CD1 . TYR A 1 23  ? 29.543 -7.547  -1.569  1.00 19.66 ? 23  TYR A CD1 1 
ATOM   189  C  CD2 . TYR A 1 23  ? 28.197 -8.481  -3.297  1.00 18.88 ? 23  TYR A CD2 1 
ATOM   190  C  CE1 . TYR A 1 23  ? 30.331 -6.924  -2.520  1.00 19.90 ? 23  TYR A CE1 1 
ATOM   191  C  CE2 . TYR A 1 23  ? 28.985 -7.873  -4.262  1.00 18.56 ? 23  TYR A CE2 1 
ATOM   192  C  CZ  . TYR A 1 23  ? 30.054 -7.082  -3.870  1.00 17.80 ? 23  TYR A CZ  1 
ATOM   193  O  OH  . TYR A 1 23  ? 30.841 -6.438  -4.773  1.00 19.61 ? 23  TYR A OH  1 
ATOM   194  N  N   . SER A 1 24  ? 28.254 -11.182 1.746   1.00 23.47 ? 24  SER A N   1 
ATOM   195  C  CA  . SER A 1 24  ? 27.697 -11.701 2.986   1.00 22.71 ? 24  SER A CA  1 
ATOM   196  C  C   . SER A 1 24  ? 26.748 -10.663 3.592   1.00 21.88 ? 24  SER A C   1 
ATOM   197  O  O   . SER A 1 24  ? 26.806 -9.467  3.289   1.00 20.28 ? 24  SER A O   1 
ATOM   198  C  CB  . SER A 1 24  ? 28.776 -12.068 3.959   1.00 23.82 ? 24  SER A CB  1 
ATOM   199  O  OG  . SER A 1 24  ? 29.496 -10.897 4.315   1.00 23.18 ? 24  SER A OG  1 
ATOM   200  N  N   . LEU A 1 25  ? 25.896 -11.147 4.489   1.00 22.43 ? 25  LEU A N   1 
ATOM   201  C  CA  . LEU A 1 25  ? 24.814 -10.354 5.034   1.00 21.16 ? 25  LEU A CA  1 
ATOM   202  C  C   . LEU A 1 25  ? 25.366 -9.105  5.688   1.00 18.50 ? 25  LEU A C   1 
ATOM   203  O  O   . LEU A 1 25  ? 24.766 -8.044  5.578   1.00 20.77 ? 25  LEU A O   1 
ATOM   204  C  CB  . LEU A 1 25  ? 24.054 -11.237 6.022   1.00 21.57 ? 25  LEU A CB  1 
ATOM   205  C  CG  . LEU A 1 25  ? 22.740 -10.684 6.544   1.00 23.71 ? 25  LEU A CG  1 
ATOM   206  C  CD1 . LEU A 1 25  ? 21.806 -10.352 5.415   1.00 25.46 ? 25  LEU A CD1 1 
ATOM   207  C  CD2 . LEU A 1 25  ? 22.143 -11.709 7.493   1.00 25.03 ? 25  LEU A CD2 1 
ATOM   208  N  N   . GLY A 1 26  ? 26.449 -9.249  6.456   1.00 18.21 ? 26  GLY A N   1 
ATOM   209  C  CA  . GLY A 1 26  ? 27.034 -8.112  7.131   1.00 16.98 ? 26  GLY A CA  1 
ATOM   210  C  C   . GLY A 1 26  ? 27.264 -6.901  6.210   1.00 17.84 ? 26  GLY A C   1 
ATOM   211  O  O   . GLY A 1 26  ? 27.215 -5.760  6.679   1.00 19.77 ? 26  GLY A O   1 
ATOM   212  N  N   . ASN A 1 27  ? 27.638 -7.169  4.945   1.00 17.60 ? 27  ASN A N   1 
ATOM   213  C  CA  . ASN A 1 27  ? 27.888 -6.114  3.965   1.00 18.35 ? 27  ASN A CA  1 
ATOM   214  C  C   . ASN A 1 27  ? 26.651 -5.250  3.765   1.00 18.11 ? 27  ASN A C   1 
ATOM   215  O  O   . ASN A 1 27  ? 26.745 -4.029  3.717   1.00 18.55 ? 27  ASN A O   1 
ATOM   216  C  CB  . ASN A 1 27  ? 28.294 -6.668  2.611   1.00 19.18 ? 27  ASN A CB  1 
ATOM   217  C  CG  . ASN A 1 27  ? 29.719 -7.155  2.629   1.00 18.85 ? 27  ASN A CG  1 
ATOM   218  O  OD1 . ASN A 1 27  ? 29.988 -8.371  2.646   1.00 25.30 ? 27  ASN A OD1 1 
ATOM   219  N  ND2 . ASN A 1 27  ? 30.626 -6.221  2.711   1.00 18.13 ? 27  ASN A ND2 1 
ATOM   220  N  N   . TRP A 1 28  ? 25.509 -5.920  3.650   1.00 18.28 ? 28  TRP A N   1 
ATOM   221  C  CA  . TRP A 1 28  ? 24.229 -5.278  3.402   1.00 20.06 ? 28  TRP A CA  1 
ATOM   222  C  C   . TRP A 1 28  ? 23.753 -4.493  4.613   1.00 18.97 ? 28  TRP A C   1 
ATOM   223  O  O   . TRP A 1 28  ? 23.188 -3.415  4.459   1.00 19.58 ? 28  TRP A O   1 
ATOM   224  C  CB  . TRP A 1 28  ? 23.173 -6.309  2.990   1.00 18.23 ? 28  TRP A CB  1 
ATOM   225  C  CG  . TRP A 1 28  ? 23.512 -7.017  1.717   1.00 18.76 ? 28  TRP A CG  1 
ATOM   226  C  CD1 . TRP A 1 28  ? 24.052 -8.265  1.579   1.00 21.10 ? 28  TRP A CD1 1 
ATOM   227  C  CD2 . TRP A 1 28  ? 23.403 -6.468  0.392   1.00 19.24 ? 28  TRP A CD2 1 
ATOM   228  N  NE1 . TRP A 1 28  ? 24.253 -8.548  0.250   1.00 20.43 ? 28  TRP A NE1 1 
ATOM   229  C  CE2 . TRP A 1 28  ? 23.859 -7.465  -0.499  1.00 19.73 ? 28  TRP A CE2 1 
ATOM   230  C  CE3 . TRP A 1 28  ? 22.909 -5.256  -0.122  1.00 21.87 ? 28  TRP A CE3 1 
ATOM   231  C  CZ2 . TRP A 1 28  ? 23.897 -7.253  -1.870  1.00 21.16 ? 28  TRP A CZ2 1 
ATOM   232  C  CZ3 . TRP A 1 28  ? 22.946 -5.060  -1.485  1.00 20.95 ? 28  TRP A CZ3 1 
ATOM   233  C  CH2 . TRP A 1 28  ? 23.427 -6.051  -2.339  1.00 21.69 ? 28  TRP A CH2 1 
ATOM   234  N  N   . VAL A 1 29  ? 23.920 -5.071  5.811   1.00 18.68 ? 29  VAL A N   1 
ATOM   235  C  CA  . VAL A 1 29  ? 23.538 -4.407  7.039   1.00 18.76 ? 29  VAL A CA  1 
ATOM   236  C  C   . VAL A 1 29  ? 24.396 -3.168  7.234   1.00 17.44 ? 29  VAL A C   1 
ATOM   237  O  O   . VAL A 1 29  ? 23.890 -2.124  7.593   1.00 18.18 ? 29  VAL A O   1 
ATOM   238  C  CB  . VAL A 1 29  ? 23.598 -5.354  8.255   1.00 20.37 ? 29  VAL A CB  1 
ATOM   239  C  CG1 . VAL A 1 29  ? 23.373 -4.618  9.553   1.00 21.89 ? 29  VAL A CG1 1 
ATOM   240  C  CG2 . VAL A 1 29  ? 22.601 -6.497  8.063   1.00 20.72 ? 29  VAL A CG2 1 
ATOM   241  N  N   . CYS A 1 30  ? 25.687 -3.295  7.016   1.00 16.92 ? 30  CYS A N   1 
ATOM   242  C  CA  . CYS A 1 30  ? 26.591 -2.179  7.151   1.00 16.77 ? 30  CYS A CA  1 
ATOM   243  C  C   . CYS A 1 30  ? 26.241 -1.042  6.177   1.00 16.10 ? 30  CYS A C   1 
ATOM   244  O  O   . CYS A 1 30  ? 26.188 0.099   6.555   1.00 17.36 ? 30  CYS A O   1 
ATOM   245  C  CB  . CYS A 1 30  ? 28.024 -2.660  6.913   1.00 17.64 ? 30  CYS A CB  1 
ATOM   246  S  SG  . CYS A 1 30  ? 29.311 -1.431  7.135   1.00 18.94 ? 30  CYS A SG  1 
ATOM   247  N  N   . ALA A 1 31  ? 25.992 -1.393  4.925   1.00 16.03 ? 31  ALA A N   1 
ATOM   248  C  CA  . ALA A 1 31  ? 25.623 -0.399  3.933   1.00 18.02 ? 31  ALA A CA  1 
ATOM   249  C  C   . ALA A 1 31  ? 24.374 0.346   4.359   1.00 16.66 ? 31  ALA A C   1 
ATOM   250  O  O   . ALA A 1 31  ? 24.326 1.538   4.296   1.00 19.54 ? 31  ALA A O   1 
ATOM   251  C  CB  . ALA A 1 31  ? 25.401 -1.048  2.593   1.00 18.51 ? 31  ALA A CB  1 
ATOM   252  N  N   . ALA A 1 32  ? 23.375 -0.398  4.792   1.00 17.81 ? 32  ALA A N   1 
ATOM   253  C  CA  . ALA A 1 32  ? 22.126 0.209   5.250   1.00 17.56 ? 32  ALA A CA  1 
ATOM   254  C  C   . ALA A 1 32  ? 22.332 1.143   6.437   1.00 18.93 ? 32  ALA A C   1 
ATOM   255  O  O   . ALA A 1 32  ? 21.762 2.196   6.500   1.00 18.45 ? 32  ALA A O   1 
ATOM   256  C  CB  . ALA A 1 32  ? 21.110 -0.871  5.590   1.00 19.14 ? 32  ALA A CB  1 
ATOM   257  N  N   . LYS A 1 33  ? 23.153 0.714   7.377   1.00 16.82 ? 33  LYS A N   1 
ATOM   258  C  CA  . LYS A 1 33  ? 23.450 1.554   8.519   1.00 18.78 ? 33  LYS A CA  1 
ATOM   259  C  C   . LYS A 1 33  ? 23.997 2.912   8.108   1.00 18.18 ? 33  LYS A C   1 
ATOM   260  O  O   . LYS A 1 33  ? 23.551 3.924   8.586   1.00 20.23 ? 33  LYS A O   1 
ATOM   261  C  CB  . LYS A 1 33  ? 24.460 0.854   9.416   1.00 20.63 ? 33  LYS A CB  1 
ATOM   262  C  CG  . LYS A 1 33  ? 25.064 1.731   10.490  1.00 23.62 ? 33  LYS A CG  1 
ATOM   263  C  CD  . LYS A 1 33  ? 24.026 2.083   11.530  1.00 28.87 ? 33  LYS A CD  1 
ATOM   264  C  CE  . LYS A 1 33  ? 24.580 3.090   12.515  1.00 34.84 ? 33  LYS A CE  1 
ATOM   265  N  NZ  . LYS A 1 33  ? 23.578 3.400   13.565  1.00 41.41 ? 33  LYS A NZ  1 
ATOM   266  N  N   . PHE A 1 34  ? 24.963 2.905   7.203   1.00 17.53 ? 34  PHE A N   1 
ATOM   267  C  CA  . PHE A 1 34  ? 25.625 4.153   6.838   1.00 19.97 ? 34  PHE A CA  1 
ATOM   268  C  C   . PHE A 1 34  ? 24.922 4.935   5.723   1.00 20.33 ? 34  PHE A C   1 
ATOM   269  O  O   . PHE A 1 34  ? 25.137 6.109   5.577   1.00 23.19 ? 34  PHE A O   1 
ATOM   270  C  CB  . PHE A 1 34  ? 27.101 3.885   6.521   1.00 19.20 ? 34  PHE A CB  1 
ATOM   271  C  CG  . PHE A 1 34  ? 27.879 3.447   7.717   1.00 19.35 ? 34  PHE A CG  1 
ATOM   272  C  CD1 . PHE A 1 34  ? 27.794 4.154   8.897   1.00 21.43 ? 34  PHE A CD1 1 
ATOM   273  C  CD2 . PHE A 1 34  ? 28.664 2.320   7.675   1.00 22.51 ? 34  PHE A CD2 1 
ATOM   274  C  CE1 . PHE A 1 34  ? 28.495 3.754   10.009  1.00 24.36 ? 34  PHE A CE1 1 
ATOM   275  C  CE2 . PHE A 1 34  ? 29.370 1.914   8.783   1.00 24.13 ? 34  PHE A CE2 1 
ATOM   276  C  CZ  . PHE A 1 34  ? 29.286 2.632   9.951   1.00 22.95 ? 34  PHE A CZ  1 
ATOM   277  N  N   . GLU A 1 35  ? 24.069 4.255   4.980   1.00 19.04 ? 35  GLU A N   1 
ATOM   278  C  CA  . GLU A 1 35  ? 23.329 4.939   3.942   1.00 20.31 ? 35  GLU A CA  1 
ATOM   279  C  C   . GLU A 1 35  ? 22.107 5.618   4.525   1.00 20.52 ? 35  GLU A C   1 
ATOM   280  O  O   . GLU A 1 35  ? 21.810 6.734   4.176   1.00 19.52 ? 35  GLU A O   1 
ATOM   281  C  CB  . GLU A 1 35  ? 22.912 3.954   2.843   1.00 20.11 ? 35  GLU A CB  1 
ATOM   282  C  CG  . GLU A 1 35  ? 24.036 3.434   1.963   1.00 20.63 ? 35  GLU A CG  1 
ATOM   283  C  CD  . GLU A 1 35  ? 24.555 4.466   0.980   1.00 23.93 ? 35  GLU A CD  1 
ATOM   284  O  OE1 . GLU A 1 35  ? 23.901 5.503   0.802   1.00 22.24 ? 35  GLU A OE1 1 
ATOM   285  O  OE2 . GLU A 1 35  ? 25.620 4.234   0.393   1.00 21.62 ? 35  GLU A OE2 1 
ATOM   286  N  N   . SER A 1 36  ? 21.431 4.944   5.442   1.00 20.59 ? 36  SER A N   1 
ATOM   287  C  CA  . SER A 1 36  ? 20.161 5.445   5.956   1.00 20.74 ? 36  SER A CA  1 
ATOM   288  C  C   . SER A 1 36  ? 19.946 5.397   7.449   1.00 21.98 ? 36  SER A C   1 
ATOM   289  O  O   . SER A 1 36  ? 18.878 5.740   7.901   1.00 21.92 ? 36  SER A O   1 
ATOM   290  C  CB  . SER A 1 36  ? 19.093 4.518   5.408   1.00 19.55 ? 36  SER A CB  1 
ATOM   291  O  OG  . SER A 1 36  ? 19.196 3.215   5.924   1.00 18.81 ? 36  SER A OG  1 
ATOM   292  N  N   . ASN A 1 37  ? 20.938 4.927   8.195   1.00 21.70 ? 37  ASN A N   1 
ATOM   293  C  CA  . ASN A 1 37  ? 20.772 4.704   9.639   1.00 23.27 ? 37  ASN A CA  1 
ATOM   294  C  C   . ASN A 1 37  ? 19.580 3.771   9.876   1.00 22.03 ? 37  ASN A C   1 
ATOM   295  O  O   . ASN A 1 37  ? 18.870 3.938   10.846  1.00 23.55 ? 37  ASN A O   1 
ATOM   296  C  CB  . ASN A 1 37  ? 20.664 6.003   10.438  1.00 25.57 ? 37  ASN A CB  1 
ATOM   297  C  CG  . ASN A 1 37  ? 21.219 5.869   11.837  1.00 32.03 ? 37  ASN A CG  1 
ATOM   298  O  OD1 . ASN A 1 37  ? 21.738 4.828   12.211  1.00 36.29 ? 37  ASN A OD1 1 
ATOM   299  N  ND2 . ASN A 1 37  ? 21.104 6.929   12.619  1.00 39.18 ? 37  ASN A ND2 1 
ATOM   300  N  N   . PHE A 1 38  ? 19.382 2.806   8.987   1.00 19.72 ? 38  PHE A N   1 
ATOM   301  C  CA  . PHE A 1 38  ? 18.293 1.811   9.097   1.00 20.19 ? 38  PHE A CA  1 
ATOM   302  C  C   . PHE A 1 38  ? 16.884 2.391   8.996   1.00 19.86 ? 38  PHE A C   1 
ATOM   303  O  O   . PHE A 1 38  ? 15.954 1.780   9.424   1.00 19.69 ? 38  PHE A O   1 
ATOM   304  C  CB  . PHE A 1 38  ? 18.400 0.982   10.380  1.00 19.45 ? 38  PHE A CB  1 
ATOM   305  C  CG  . PHE A 1 38  ? 19.690 0.241   10.554  1.00 20.33 ? 38  PHE A CG  1 
ATOM   306  C  CD1 . PHE A 1 38  ? 20.342 -0.330  9.485   1.00 21.76 ? 38  PHE A CD1 1 
ATOM   307  C  CD2 . PHE A 1 38  ? 20.217 0.075   11.818  1.00 23.12 ? 38  PHE A CD2 1 
ATOM   308  C  CE1 . PHE A 1 38  ? 21.514 -1.035  9.673   1.00 23.37 ? 38  PHE A CE1 1 
ATOM   309  C  CE2 . PHE A 1 38  ? 21.388 -0.621  12.014  1.00 23.57 ? 38  PHE A CE2 1 
ATOM   310  C  CZ  . PHE A 1 38  ? 22.039 -1.177  10.940  1.00 23.29 ? 38  PHE A CZ  1 
ATOM   311  N  N   . ASN A 1 39  ? 16.778 3.546   8.384   1.00 18.03 ? 39  ASN A N   1 
ATOM   312  C  CA  . ASN A 1 39  ? 15.496 4.221   8.243   1.00 18.16 ? 39  ASN A CA  1 
ATOM   313  C  C   . ASN A 1 39  ? 14.979 4.108   6.814   1.00 18.08 ? 39  ASN A C   1 
ATOM   314  O  O   . ASN A 1 39  ? 15.569 4.630   5.905   1.00 19.49 ? 39  ASN A O   1 
ATOM   315  C  CB  . ASN A 1 39  ? 15.672 5.682   8.618   1.00 19.43 ? 39  ASN A CB  1 
ATOM   316  C  CG  . ASN A 1 39  ? 14.386 6.479   8.569   1.00 19.92 ? 39  ASN A CG  1 
ATOM   317  O  OD1 . ASN A 1 39  ? 14.413 7.688   8.731   1.00 26.38 ? 39  ASN A OD1 1 
ATOM   318  N  ND2 . ASN A 1 39  ? 13.271 5.816   8.363   1.00 18.92 ? 39  ASN A ND2 1 
ATOM   319  N  N   . THR A 1 40  ? 13.873 3.407   6.653   1.00 16.34 ? 40  THR A N   1 
ATOM   320  C  CA  . THR A 1 40  ? 13.304 3.226   5.342   1.00 18.98 ? 40  THR A CA  1 
ATOM   321  C  C   . THR A 1 40  ? 12.873 4.530   4.697   1.00 18.06 ? 40  THR A C   1 
ATOM   322  O  O   . THR A 1 40  ? 12.756 4.598   3.508   1.00 19.11 ? 40  THR A O   1 
ATOM   323  C  CB  . THR A 1 40  ? 12.027 2.350   5.392   1.00 19.88 ? 40  THR A CB  1 
ATOM   324  O  OG1 . THR A 1 40  ? 11.007 3.020   6.126   1.00 20.70 ? 40  THR A OG1 1 
ATOM   325  C  CG2 . THR A 1 40  ? 12.333 0.987   6.022   1.00 19.98 ? 40  THR A CG2 1 
ATOM   326  N  N   . GLN A 1 41  ? 12.608 5.536   5.504   1.00 16.62 ? 41  GLN A N   1 
ATOM   327  C  CA  . GLN A 1 41  ? 12.072 6.772   4.953   1.00 17.61 ? 41  GLN A CA  1 
ATOM   328  C  C   . GLN A 1 41  ? 13.142 7.783   4.552   1.00 19.64 ? 41  GLN A C   1 
ATOM   329  O  O   . GLN A 1 41  ? 12.840 8.870   4.135   1.00 20.34 ? 41  GLN A O   1 
ATOM   330  C  CB  . GLN A 1 41  ? 11.090 7.394   5.932   1.00 18.71 ? 41  GLN A CB  1 
ATOM   331  C  CG  . GLN A 1 41  ? 9.929  6.516   6.307   1.00 18.69 ? 41  GLN A CG  1 
ATOM   332  C  CD  . GLN A 1 41  ? 8.836  7.336   6.941   1.00 21.87 ? 41  GLN A CD  1 
ATOM   333  O  OE1 . GLN A 1 41  ? 8.182  8.118   6.273   1.00 24.58 ? 41  GLN A OE1 1 
ATOM   334  N  NE2 . GLN A 1 41  ? 8.670  7.195   8.241   1.00 21.18 ? 41  GLN A NE2 1 
ATOM   335  N  N   . ALA A 1 42  ? 14.392 7.383   4.670   1.00 18.64 ? 42  ALA A N   1 
ATOM   336  C  CA  . ALA A 1 42  ? 15.472 8.274   4.299   1.00 20.35 ? 42  ALA A CA  1 
ATOM   337  C  C   . ALA A 1 42  ? 15.475 8.749   2.846   1.00 20.28 ? 42  ALA A C   1 
ATOM   338  O  O   . ALA A 1 42  ? 15.286 7.960   1.940   1.00 18.71 ? 42  ALA A O   1 
ATOM   339  C  CB  . ALA A 1 42  ? 16.798 7.636   4.593   1.00 20.42 ? 42  ALA A CB  1 
ATOM   340  N  N   . THR A 1 43  ? 15.681 10.039  2.671   1.00 18.56 ? 43  THR A N   1 
ATOM   341  C  CA  . THR A 1 43  ? 15.820 10.611  1.343   1.00 19.23 ? 43  THR A CA  1 
ATOM   342  C  C   . THR A 1 43  ? 16.962 11.593  1.391   1.00 19.67 ? 43  THR A C   1 
ATOM   343  O  O   . THR A 1 43  ? 17.190 12.227  2.394   1.00 21.74 ? 43  THR A O   1 
ATOM   344  C  CB  . THR A 1 43  ? 14.573 11.375  0.852   1.00 19.48 ? 43  THR A CB  1 
ATOM   345  O  OG1 . THR A 1 43  ? 14.216 12.374  1.804   1.00 19.97 ? 43  THR A OG1 1 
ATOM   346  C  CG2 . THR A 1 43  ? 13.412 10.419  0.624   1.00 19.71 ? 43  THR A CG2 1 
ATOM   347  N  N   . ASN A 1 44  ? 17.687 11.687  0.303   1.00 19.34 ? 44  ASN A N   1 
ATOM   348  C  CA  . ASN A 1 44  ? 18.751 12.640  0.204   1.00 21.98 ? 44  ASN A CA  1 
ATOM   349  C  C   . ASN A 1 44  ? 18.851 13.073  -1.233  1.00 21.53 ? 44  ASN A C   1 
ATOM   350  O  O   . ASN A 1 44  ? 18.956 12.245  -2.098  1.00 20.32 ? 44  ASN A O   1 
ATOM   351  C  CB  . ASN A 1 44  ? 20.073 12.054  0.657   1.00 25.03 ? 44  ASN A CB  1 
ATOM   352  C  CG  . ASN A 1 44  ? 20.147 11.879  2.159   1.00 29.87 ? 44  ASN A CG  1 
ATOM   353  O  OD1 . ASN A 1 44  ? 20.051 10.768  2.673   1.00 33.23 ? 44  ASN A OD1 1 
ATOM   354  N  ND2 . ASN A 1 44  ? 20.312 12.981  2.869   1.00 29.23 ? 44  ASN A ND2 1 
ATOM   355  N  N   A ARG A 1 45  ? 19.002 14.372  -1.453  0.50 21.54 ? 45  ARG A N   1 
ATOM   356  N  N   B ARG A 1 45  ? 19.005 14.371  -1.452  0.50 22.25 ? 45  ARG A N   1 
ATOM   357  C  CA  A ARG A 1 45  ? 19.099 14.894  -2.807  0.50 23.74 ? 45  ARG A CA  1 
ATOM   358  C  CA  B ARG A 1 45  ? 19.097 14.893  -2.806  0.50 25.12 ? 45  ARG A CA  1 
ATOM   359  C  C   A ARG A 1 45  ? 20.526 14.972  -3.264  0.50 24.30 ? 45  ARG A C   1 
ATOM   360  C  C   B ARG A 1 45  ? 20.525 14.982  -3.266  0.50 25.06 ? 45  ARG A C   1 
ATOM   361  O  O   A ARG A 1 45  ? 21.388 15.376  -2.506  0.50 25.56 ? 45  ARG A O   1 
ATOM   362  O  O   B ARG A 1 45  ? 21.389 15.381  -2.506  0.50 26.67 ? 45  ARG A O   1 
ATOM   363  C  CB  A ARG A 1 45  ? 18.499 16.294  -2.893  0.50 24.15 ? 45  ARG A CB  1 
ATOM   364  C  CB  B ARG A 1 45  ? 18.470 16.285  -2.886  0.50 26.60 ? 45  ARG A CB  1 
ATOM   365  C  CG  A ARG A 1 45  ? 18.231 16.757  -4.314  0.50 25.32 ? 45  ARG A CG  1 
ATOM   366  C  CG  B ARG A 1 45  ? 18.447 16.878  -4.284  0.50 29.06 ? 45  ARG A CG  1 
ATOM   367  C  CD  A ARG A 1 45  ? 16.780 16.520  -4.675  0.50 27.00 ? 45  ARG A CD  1 
ATOM   368  C  CD  B ARG A 1 45  ? 17.218 16.442  -5.060  0.50 31.70 ? 45  ARG A CD  1 
ATOM   369  N  NE  A ARG A 1 45  ? 16.517 16.630  -6.105  0.50 29.51 ? 45  ARG A NE  1 
ATOM   370  N  NE  B ARG A 1 45  ? 16.141 17.417  -4.953  0.50 35.68 ? 45  ARG A NE  1 
ATOM   371  C  CZ  A ARG A 1 45  ? 15.729 17.554  -6.645  0.50 27.90 ? 45  ARG A CZ  1 
ATOM   372  C  CZ  B ARG A 1 45  ? 15.536 17.986  -5.992  0.50 40.52 ? 45  ARG A CZ  1 
ATOM   373  N  NH1 A ARG A 1 45  ? 15.139 18.450  -5.872  0.50 31.63 ? 45  ARG A NH1 1 
ATOM   374  N  NH1 B ARG A 1 45  ? 15.892 17.679  -7.231  0.50 42.73 ? 45  ARG A NH1 1 
ATOM   375  N  NH2 A ARG A 1 45  ? 15.534 17.585  -7.956  0.50 26.14 ? 45  ARG A NH2 1 
ATOM   376  N  NH2 B ARG A 1 45  ? 14.566 18.862  -5.789  0.50 41.90 ? 45  ARG A NH2 1 
ATOM   377  N  N   . ASN A 1 46  ? 20.747 14.760  -4.552  1.00 23.99 ? 46  ASN A N   1 
ATOM   378  C  CA  . ASN A 1 46  ? 22.083 14.848  -5.086  1.00 26.01 ? 46  ASN A CA  1 
ATOM   379  C  C   . ASN A 1 46  ? 22.246 16.130  -5.882  1.00 26.28 ? 46  ASN A C   1 
ATOM   380  O  O   . ASN A 1 46  ? 21.286 16.731  -6.295  1.00 27.14 ? 46  ASN A O   1 
ATOM   381  C  CB  . ASN A 1 46  ? 22.403 13.634  -5.949  1.00 26.94 ? 46  ASN A CB  1 
ATOM   382  C  CG  . ASN A 1 46  ? 22.175 12.325  -5.230  1.00 28.74 ? 46  ASN A CG  1 
ATOM   383  O  OD1 . ASN A 1 46  ? 21.514 11.432  -5.743  1.00 30.43 ? 46  ASN A OD1 1 
ATOM   384  N  ND2 . ASN A 1 46  ? 22.735 12.205  -4.047  1.00 28.65 ? 46  ASN A ND2 1 
ATOM   385  N  N   . THR A 1 47  ? 23.481 16.538  -6.082  1.00 32.06 ? 47  THR A N   1 
ATOM   386  C  CA  . THR A 1 47  ? 23.781 17.739  -6.854  1.00 35.44 ? 47  THR A CA  1 
ATOM   387  C  C   . THR A 1 47  ? 23.154 17.753  -8.246  1.00 32.88 ? 47  THR A C   1 
ATOM   388  O  O   . THR A 1 47  ? 22.688 18.772  -8.695  1.00 40.89 ? 47  THR A O   1 
ATOM   389  C  CB  . THR A 1 47  ? 25.322 17.882  -6.993  1.00 36.89 ? 47  THR A CB  1 
ATOM   390  O  OG1 . THR A 1 47  ? 25.850 16.739  -7.670  1.00 43.85 ? 47  THR A OG1 1 
ATOM   391  C  CG2 . THR A 1 47  ? 25.960 17.971  -5.634  1.00 40.30 ? 47  THR A CG2 1 
ATOM   392  N  N   . ASP A 1 48  ? 23.147 16.624  -8.918  1.00 29.23 ? 48  ASP A N   1 
ATOM   393  C  CA  . ASP A 1 48  ? 22.615 16.574  -10.261 1.00 29.62 ? 48  ASP A CA  1 
ATOM   394  C  C   . ASP A 1 48  ? 21.103 16.648  -10.286 1.00 29.94 ? 48  ASP A C   1 
ATOM   395  O  O   . ASP A 1 48  ? 20.516 16.596  -11.346 1.00 33.27 ? 48  ASP A O   1 
ATOM   396  C  CB  . ASP A 1 48  ? 23.108 15.330  -10.996 1.00 32.88 ? 48  ASP A CB  1 
ATOM   397  C  CG  . ASP A 1 48  ? 22.521 14.054  -10.462 1.00 34.99 ? 48  ASP A CG  1 
ATOM   398  O  OD1 . ASP A 1 48  ? 21.916 14.079  -9.388  1.00 32.83 ? 48  ASP A OD1 1 
ATOM   399  O  OD2 . ASP A 1 48  ? 22.679 13.019  -11.125 1.00 40.04 ? 48  ASP A OD2 1 
ATOM   400  N  N   . GLY A 1 49  ? 20.484 16.767  -9.119  1.00 29.32 ? 49  GLY A N   1 
ATOM   401  C  CA  . GLY A 1 49  ? 19.044 16.851  -9.031  1.00 28.90 ? 49  GLY A CA  1 
ATOM   402  C  C   . GLY A 1 49  ? 18.346 15.539  -8.784  1.00 28.54 ? 49  GLY A C   1 
ATOM   403  O  O   . GLY A 1 49  ? 17.152 15.488  -8.567  1.00 28.66 ? 49  GLY A O   1 
ATOM   404  N  N   . SER A 1 50  ? 19.105 14.464  -8.840  1.00 25.24 ? 50  SER A N   1 
ATOM   405  C  CA  . SER A 1 50  ? 18.537 13.192  -8.563  1.00 21.20 ? 50  SER A CA  1 
ATOM   406  C  C   . SER A 1 50  ? 18.350 13.064  -7.050  1.00 19.61 ? 50  SER A C   1 
ATOM   407  O  O   . SER A 1 50  ? 18.822 13.878  -6.291  1.00 22.06 ? 50  SER A O   1 
ATOM   408  C  CB  . SER A 1 50  ? 19.447 12.085  -9.102  1.00 20.73 ? 50  SER A CB  1 
ATOM   409  O  OG  . SER A 1 50  ? 20.714 12.113  -8.486  1.00 23.86 ? 50  SER A OG  1 
ATOM   410  N  N   . THR A 1 51  ? 17.675 12.022  -6.643  1.00 17.51 ? 51  THR A N   1 
ATOM   411  C  CA  . THR A 1 51  ? 17.448 11.803  -5.221  1.00 17.64 ? 51  THR A CA  1 
ATOM   412  C  C   . THR A 1 51  ? 17.665 10.343  -4.858  1.00 16.84 ? 51  THR A C   1 
ATOM   413  O  O   . THR A 1 51  ? 17.393 9.487   -5.659  1.00 14.85 ? 51  THR A O   1 
ATOM   414  C  CB  . THR A 1 51  ? 16.035 12.246  -4.783  1.00 17.33 ? 51  THR A CB  1 
ATOM   415  O  OG1 . THR A 1 51  ? 15.813 13.594  -5.184  1.00 17.69 ? 51  THR A OG1 1 
ATOM   416  C  CG2 . THR A 1 51  ? 15.864 12.141  -3.277  1.00 20.58 ? 51  THR A CG2 1 
ATOM   417  N  N   . ASP A 1 52  ? 18.184 10.115  -3.659  1.00 17.58 ? 52  ASP A N   1 
ATOM   418  C  CA  . ASP A 1 52  ? 18.402 8.773   -3.164  1.00 19.09 ? 52  ASP A CA  1 
ATOM   419  C  C   . ASP A 1 52  ? 17.287 8.404   -2.202  1.00 18.75 ? 52  ASP A C   1 
ATOM   420  O  O   . ASP A 1 52  ? 16.939 9.183   -1.351  1.00 19.92 ? 52  ASP A O   1 
ATOM   421  C  CB  . ASP A 1 52  ? 19.742 8.657   -2.467  1.00 18.52 ? 52  ASP A CB  1 
ATOM   422  C  CG  . ASP A 1 52  ? 20.912 8.911   -3.380  1.00 24.88 ? 52  ASP A CG  1 
ATOM   423  O  OD1 . ASP A 1 52  ? 20.765 8.854   -4.606  1.00 24.13 ? 52  ASP A OD1 1 
ATOM   424  O  OD2 . ASP A 1 52  ? 22.003 9.159   -2.845  1.00 35.18 ? 52  ASP A OD2 1 
ATOM   425  N  N   . TYR A 1 53  ? 16.768 7.195   -2.347  1.00 19.29 ? 53  TYR A N   1 
ATOM   426  C  CA  . TYR A 1 53  ? 15.624 6.782   -1.578  1.00 19.03 ? 53  TYR A CA  1 
ATOM   427  C  C   . TYR A 1 53  ? 15.743 5.504   -0.772  1.00 19.06 ? 53  TYR A C   1 
ATOM   428  O  O   . TYR A 1 53  ? 16.207 4.496   -1.263  1.00 18.31 ? 53  TYR A O   1 
ATOM   429  C  CB  . TYR A 1 53  ? 14.452 6.570   -2.551  1.00 20.10 ? 53  TYR A CB  1 
ATOM   430  C  CG  . TYR A 1 53  ? 14.014 7.805   -3.271  1.00 19.18 ? 53  TYR A CG  1 
ATOM   431  C  CD1 . TYR A 1 53  ? 14.638 8.211   -4.438  1.00 18.96 ? 53  TYR A CD1 1 
ATOM   432  C  CD2 . TYR A 1 53  ? 12.972 8.574   -2.781  1.00 20.49 ? 53  TYR A CD2 1 
ATOM   433  C  CE1 . TYR A 1 53  ? 14.235 9.348   -5.099  1.00 18.32 ? 53  TYR A CE1 1 
ATOM   434  C  CE2 . TYR A 1 53  ? 12.566 9.712   -3.433  1.00 19.46 ? 53  TYR A CE2 1 
ATOM   435  C  CZ  . TYR A 1 53  ? 13.196 10.093  -4.592  1.00 18.59 ? 53  TYR A CZ  1 
ATOM   436  O  OH  . TYR A 1 53  ? 12.782 11.226  -5.228  1.00 20.06 ? 53  TYR A OH  1 
ATOM   437  N  N   . GLY A 1 54  ? 15.322 5.584   0.468   1.00 17.83 ? 54  GLY A N   1 
ATOM   438  C  CA  . GLY A 1 54  ? 15.251 4.399   1.265   1.00 18.28 ? 54  GLY A CA  1 
ATOM   439  C  C   . GLY A 1 54  ? 16.415 3.861   2.026   1.00 18.60 ? 54  GLY A C   1 
ATOM   440  O  O   . GLY A 1 54  ? 17.444 4.475   2.097   1.00 18.91 ? 54  GLY A O   1 
ATOM   441  N  N   . ILE A 1 55  ? 16.219 2.665   2.555   1.00 19.74 ? 55  ILE A N   1 
ATOM   442  C  CA  . ILE A 1 55  ? 17.214 2.068   3.406   1.00 21.34 ? 55  ILE A CA  1 
ATOM   443  C  C   . ILE A 1 55  ? 18.557 1.852   2.714   1.00 19.16 ? 55  ILE A C   1 
ATOM   444  O  O   . ILE A 1 55  ? 19.575 1.874   3.346   1.00 17.86 ? 55  ILE A O   1 
ATOM   445  C  CB  . ILE A 1 55  ? 16.627 0.754   4.000   1.00 25.53 ? 55  ILE A CB  1 
ATOM   446  C  CG1 . ILE A 1 55  ? 17.414 0.324   5.234   1.00 29.92 ? 55  ILE A CG1 1 
ATOM   447  C  CG2 . ILE A 1 55  ? 16.557 -0.337  2.940   1.00 26.84 ? 55  ILE A CG2 1 
ATOM   448  C  CD1 . ILE A 1 55  ? 16.529 -0.185  6.342   1.00 35.05 ? 55  ILE A CD1 1 
ATOM   449  N  N   . LEU A 1 56  ? 18.512 1.677   1.403   1.00 18.56 ? 56  LEU A N   1 
ATOM   450  C  CA  . LEU A 1 56  ? 19.741 1.511   0.640   1.00 18.45 ? 56  LEU A CA  1 
ATOM   451  C  C   . LEU A 1 56  ? 20.025 2.705   -0.287  1.00 20.62 ? 56  LEU A C   1 
ATOM   452  O  O   . LEU A 1 56  ? 20.893 2.631   -1.137  1.00 19.39 ? 56  LEU A O   1 
ATOM   453  C  CB  . LEU A 1 56  ? 19.728 0.181   -0.109  1.00 20.11 ? 56  LEU A CB  1 
ATOM   454  C  CG  . LEU A 1 56  ? 19.967 -1.051  0.755   1.00 23.04 ? 56  LEU A CG  1 
ATOM   455  C  CD1 . LEU A 1 56  ? 19.678 -2.304  -0.048  1.00 26.16 ? 56  LEU A CD1 1 
ATOM   456  C  CD2 . LEU A 1 56  ? 21.393 -1.053  1.269   1.00 24.87 ? 56  LEU A CD2 1 
ATOM   457  N  N   . GLN A 1 57  ? 19.281 3.788   -0.113  1.00 18.54 ? 57  GLN A N   1 
ATOM   458  C  CA  . GLN A 1 57  ? 19.577 5.014   -0.844  1.00 16.16 ? 57  GLN A CA  1 
ATOM   459  C  C   . GLN A 1 57  ? 19.744 4.814   -2.346  1.00 17.36 ? 57  GLN A C   1 
ATOM   460  O  O   . GLN A 1 57  ? 20.703 5.245   -2.940  1.00 17.47 ? 57  GLN A O   1 
ATOM   461  C  CB  . GLN A 1 57  ? 20.767 5.689   -0.193  1.00 17.86 ? 57  GLN A CB  1 
ATOM   462  C  CG  . GLN A 1 57  ? 20.432 6.232   1.179   1.00 17.65 ? 57  GLN A CG  1 
ATOM   463  C  CD  . GLN A 1 57  ? 19.517 7.433   1.094   1.00 18.16 ? 57  GLN A CD  1 
ATOM   464  O  OE1 . GLN A 1 57  ? 19.968 8.540   0.855   1.00 20.35 ? 57  GLN A OE1 1 
ATOM   465  N  NE2 . GLN A 1 57  ? 18.229 7.211   1.271   1.00 18.78 ? 57  GLN A NE2 1 
ATOM   466  N  N   . ILE A 1 58  ? 18.734 4.211   -2.925  1.00 17.04 ? 58  ILE A N   1 
ATOM   467  C  CA  . ILE A 1 58  ? 18.749 3.945   -4.342  1.00 18.59 ? 58  ILE A CA  1 
ATOM   468  C  C   . ILE A 1 58  ? 18.485 5.244   -5.120  1.00 19.74 ? 58  ILE A C   1 
ATOM   469  O  O   . ILE A 1 58  ? 17.593 5.992   -4.772  1.00 18.60 ? 58  ILE A O   1 
ATOM   470  C  CB  . ILE A 1 58  ? 17.782 2.784   -4.639  1.00 20.41 ? 58  ILE A CB  1 
ATOM   471  C  CG1 . ILE A 1 58  ? 18.371 1.494   -4.070  1.00 22.59 ? 58  ILE A CG1 1 
ATOM   472  C  CG2 . ILE A 1 58  ? 17.497 2.672   -6.127  1.00 20.26 ? 58  ILE A CG2 1 
ATOM   473  C  CD1 . ILE A 1 58  ? 17.426 0.322   -4.096  1.00 24.06 ? 58  ILE A CD1 1 
ATOM   474  N  N   . ASN A 1 59  ? 19.253 5.471   -6.174  1.00 19.28 ? 59  ASN A N   1 
ATOM   475  C  CA  . ASN A 1 59  ? 19.213 6.737   -6.900  1.00 21.32 ? 59  ASN A CA  1 
ATOM   476  C  C   . ASN A 1 59  ? 18.246 6.864   -8.085  1.00 21.26 ? 59  ASN A C   1 
ATOM   477  O  O   . ASN A 1 59  ? 18.207 6.005   -8.925  1.00 22.62 ? 59  ASN A O   1 
ATOM   478  C  CB  . ASN A 1 59  ? 20.641 6.996   -7.377  1.00 24.12 ? 59  ASN A CB  1 
ATOM   479  C  CG  . ASN A 1 59  ? 20.875 8.419   -7.849  1.00 32.98 ? 59  ASN A CG  1 
ATOM   480  O  OD1 . ASN A 1 59  ? 21.906 8.710   -8.433  1.00 57.07 ? 59  ASN A OD1 1 
ATOM   481  N  ND2 . ASN A 1 59  ? 19.950 9.305   -7.573  1.00 32.91 ? 59  ASN A ND2 1 
ATOM   482  N  N   . SER A 1 60  ? 17.497 7.956   -8.124  1.00 19.97 ? 60  SER A N   1 
ATOM   483  C  CA  . SER A 1 60  ? 16.522 8.215   -9.195  1.00 19.97 ? 60  SER A CA  1 
ATOM   484  C  C   . SER A 1 60  ? 17.124 8.422   -10.586 1.00 20.43 ? 60  SER A C   1 
ATOM   485  O  O   . SER A 1 60  ? 16.424 8.351   -11.556 1.00 22.73 ? 60  SER A O   1 
ATOM   486  C  CB  . SER A 1 60  ? 15.716 9.472   -8.850  1.00 17.90 ? 60  SER A CB  1 
ATOM   487  O  OG  . SER A 1 60  ? 16.508 10.621  -8.894  1.00 18.19 ? 60  SER A OG  1 
ATOM   488  N  N   . ARG A 1 61  ? 18.405 8.721   -10.641 1.00 20.60 ? 61  ARG A N   1 
ATOM   489  C  CA  . ARG A 1 61  ? 19.088 8.915   -11.922 1.00 24.98 ? 61  ARG A CA  1 
ATOM   490  C  C   . ARG A 1 61  ? 19.003 7.684   -12.811 1.00 25.22 ? 61  ARG A C   1 
ATOM   491  O  O   . ARG A 1 61  ? 18.882 7.804   -14.006 1.00 26.16 ? 61  ARG A O   1 
ATOM   492  C  CB  . ARG A 1 61  ? 20.536 9.305   -11.706 1.00 28.01 ? 61  ARG A CB  1 
ATOM   493  C  CG  . ARG A 1 61  ? 21.374 9.429   -12.965 1.00 39.01 ? 61  ARG A CG  1 
ATOM   494  C  CD  . ARG A 1 61  ? 20.923 10.595  -13.815 1.00 45.77 ? 61  ARG A CD  1 
ATOM   495  N  NE  . ARG A 1 61  ? 20.906 11.850  -13.075 1.00 54.36 ? 61  ARG A NE  1 
ATOM   496  C  CZ  . ARG A 1 61  ? 20.233 12.927  -13.462 1.00 60.86 ? 61  ARG A CZ  1 
ATOM   497  N  NH1 . ARG A 1 61  ? 19.528 12.898  -14.588 1.00 66.95 ? 61  ARG A NH1 1 
ATOM   498  N  NH2 . ARG A 1 61  ? 20.266 14.031  -12.734 1.00 60.81 ? 61  ARG A NH2 1 
ATOM   499  N  N   . TRP A 1 62  ? 19.025 6.510   -12.209 1.00 21.72 ? 62  TRP A N   1 
ATOM   500  C  CA  . TRP A 1 62  ? 19.001 5.279   -12.996 1.00 22.65 ? 62  TRP A CA  1 
ATOM   501  C  C   . TRP A 1 62  ? 18.014 4.214   -12.610 1.00 22.54 ? 62  TRP A C   1 
ATOM   502  O  O   . TRP A 1 62  ? 17.625 3.438   -13.447 1.00 24.09 ? 62  TRP A O   1 
ATOM   503  C  CB  . TRP A 1 62  ? 20.363 4.586   -12.866 1.00 23.94 ? 62  TRP A CB  1 
ATOM   504  C  CG  . TRP A 1 62  ? 21.510 5.386   -13.276 1.00 30.19 ? 62  TRP A CG  1 
ATOM   505  C  CD1 . TRP A 1 62  ? 22.386 6.030   -12.468 1.00 30.35 ? 62  TRP A CD1 1 
ATOM   506  C  CD2 . TRP A 1 62  ? 21.934 5.628   -14.612 1.00 34.59 ? 62  TRP A CD2 1 
ATOM   507  N  NE1 . TRP A 1 62  ? 23.330 6.672   -13.221 1.00 38.08 ? 62  TRP A NE1 1 
ATOM   508  C  CE2 . TRP A 1 62  ? 23.073 6.439   -14.544 1.00 34.33 ? 62  TRP A CE2 1 
ATOM   509  C  CE3 . TRP A 1 62  ? 21.454 5.241   -15.864 1.00 43.42 ? 62  TRP A CE3 1 
ATOM   510  C  CZ2 . TRP A 1 62  ? 23.746 6.872   -15.680 1.00 44.33 ? 62  TRP A CZ2 1 
ATOM   511  C  CZ3 . TRP A 1 62  ? 22.122 5.667   -16.987 1.00 47.70 ? 62  TRP A CZ3 1 
ATOM   512  C  CH2 . TRP A 1 62  ? 23.254 6.477   -16.889 1.00 42.92 ? 62  TRP A CH2 1 
ATOM   513  N  N   . TRP A 1 63  ? 17.585 4.192   -11.353 1.00 20.90 ? 63  TRP A N   1 
ATOM   514  C  CA  . TRP A 1 63  ? 16.847 3.032   -10.860 1.00 20.72 ? 63  TRP A CA  1 
ATOM   515  C  C   . TRP A 1 63  ? 15.368 3.102   -10.591 1.00 19.73 ? 63  TRP A C   1 
ATOM   516  O  O   . TRP A 1 63  ? 14.695 2.114   -10.623 1.00 22.49 ? 63  TRP A O   1 
ATOM   517  C  CB  . TRP A 1 63  ? 17.577 2.597   -9.575  1.00 22.04 ? 63  TRP A CB  1 
ATOM   518  C  CG  . TRP A 1 63  ? 19.026 2.398   -9.810  1.00 19.66 ? 63  TRP A CG  1 
ATOM   519  C  CD1 . TRP A 1 63  ? 20.041 3.183   -9.373  1.00 19.42 ? 63  TRP A CD1 1 
ATOM   520  C  CD2 . TRP A 1 63  ? 19.624 1.360   -10.584 1.00 19.88 ? 63  TRP A CD2 1 
ATOM   521  N  NE1 . TRP A 1 63  ? 21.240 2.691   -9.811  1.00 21.76 ? 63  TRP A NE1 1 
ATOM   522  C  CE2 . TRP A 1 63  ? 21.009 1.571   -10.563 1.00 21.20 ? 63  TRP A CE2 1 
ATOM   523  C  CE3 . TRP A 1 63  ? 19.121 0.268   -11.288 1.00 21.74 ? 63  TRP A CE3 1 
ATOM   524  C  CZ2 . TRP A 1 63  ? 21.899 0.729   -11.219 1.00 23.75 ? 63  TRP A CZ2 1 
ATOM   525  C  CZ3 . TRP A 1 63  ? 20.002 -0.560  -11.936 1.00 23.46 ? 63  TRP A CZ3 1 
ATOM   526  C  CH2 . TRP A 1 63  ? 21.375 -0.326  -11.898 1.00 21.36 ? 63  TRP A CH2 1 
ATOM   527  N  N   . CYS A 1 64  ? 14.892 4.290   -10.315 1.00 20.30 ? 64  CYS A N   1 
ATOM   528  C  CA  . CYS A 1 64  ? 13.497 4.461   -10.049 1.00 19.79 ? 64  CYS A CA  1 
ATOM   529  C  C   . CYS A 1 64  ? 13.001 5.769   -10.631 1.00 19.56 ? 64  CYS A C   1 
ATOM   530  O  O   . CYS A 1 64  ? 13.768 6.606   -11.027 1.00 20.17 ? 64  CYS A O   1 
ATOM   531  C  CB  . CYS A 1 64  ? 13.214 4.380   -8.542  1.00 18.55 ? 64  CYS A CB  1 
ATOM   532  S  SG  . CYS A 1 64  ? 14.032 5.656   -7.552  1.00 19.22 ? 64  CYS A SG  1 
ATOM   533  N  N   . ASN A 1 65  ? 11.688 5.886   -10.692 1.00 21.28 ? 65  ASN A N   1 
ATOM   534  C  CA  . ASN A 1 65  ? 11.100 7.083   -11.210 1.00 20.90 ? 65  ASN A CA  1 
ATOM   535  C  C   . ASN A 1 65  ? 10.458 7.935   -10.122 1.00 19.65 ? 65  ASN A C   1 
ATOM   536  O  O   . ASN A 1 65  ? 9.619  7.462   -9.397  1.00 18.73 ? 65  ASN A O   1 
ATOM   537  C  CB  . ASN A 1 65  ? 10.046 6.735   -12.241 1.00 23.02 ? 65  ASN A CB  1 
ATOM   538  C  CG  . ASN A 1 65  ? 9.328  7.961   -12.750 1.00 27.30 ? 65  ASN A CG  1 
ATOM   539  O  OD1 . ASN A 1 65  ? 8.124  8.087   -12.595 1.00 43.24 ? 65  ASN A OD1 1 
ATOM   540  N  ND2 . ASN A 1 65  ? 10.070 8.878   -13.332 1.00 26.59 ? 65  ASN A ND2 1 
ATOM   541  N  N   . ASP A 1 66  ? 10.900 9.179   -10.033 1.00 19.25 ? 66  ASP A N   1 
ATOM   542  C  CA  . ASP A 1 66  ? 10.339 10.109  -9.055  1.00 20.39 ? 66  ASP A CA  1 
ATOM   543  C  C   . ASP A 1 66  ? 9.678  11.293  -9.740  1.00 21.72 ? 66  ASP A C   1 
ATOM   544  O  O   . ASP A 1 66  ? 9.219  12.188  -9.084  1.00 23.02 ? 66  ASP A O   1 
ATOM   545  C  CB  . ASP A 1 66  ? 11.371 10.592  -8.043  1.00 19.67 ? 66  ASP A CB  1 
ATOM   546  C  CG  . ASP A 1 66  ? 12.522 11.346  -8.653  1.00 19.99 ? 66  ASP A CG  1 
ATOM   547  O  OD1 . ASP A 1 66  ? 12.539 11.588  -9.868  1.00 20.55 ? 66  ASP A OD1 1 
ATOM   548  O  OD2 . ASP A 1 66  ? 13.422 11.703  -7.872  1.00 20.29 ? 66  ASP A OD2 1 
ATOM   549  N  N   . GLY A 1 67  ? 9.646  11.265  -11.050 1.00 22.06 ? 67  GLY A N   1 
ATOM   550  C  CA  . GLY A 1 67  ? 8.992  12.304  -11.806 1.00 25.07 ? 67  GLY A CA  1 
ATOM   551  C  C   . GLY A 1 67  ? 9.691  13.636  -11.817 1.00 28.28 ? 67  GLY A C   1 
ATOM   552  O  O   . GLY A 1 67  ? 9.188  14.595  -12.365 1.00 31.75 ? 67  GLY A O   1 
ATOM   553  N  N   . ARG A 1 68  ? 10.848 13.697  -11.183 1.00 24.55 ? 68  ARG A N   1 
ATOM   554  C  CA  . ARG A 1 68  ? 11.573 14.944  -11.144 1.00 24.72 ? 68  ARG A CA  1 
ATOM   555  C  C   . ARG A 1 68  ? 13.066 14.822  -11.451 1.00 24.20 ? 68  ARG A C   1 
ATOM   556  O  O   . ARG A 1 68  ? 13.849 15.652  -11.049 1.00 29.66 ? 68  ARG A O   1 
ATOM   557  C  CB  . ARG A 1 68  ? 11.343 15.631  -9.799  1.00 24.50 ? 68  ARG A CB  1 
ATOM   558  C  CG  . ARG A 1 68  ? 11.915 14.920  -8.597  1.00 27.07 ? 68  ARG A CG  1 
ATOM   559  C  CD  . ARG A 1 68  ? 12.108 15.944  -7.501  1.00 29.62 ? 68  ARG A CD  1 
ATOM   560  N  NE  . ARG A 1 68  ? 13.039 15.522  -6.473  1.00 32.17 ? 68  ARG A NE  1 
ATOM   561  C  CZ  . ARG A 1 68  ? 13.042 16.018  -5.244  1.00 33.77 ? 68  ARG A CZ  1 
ATOM   562  N  NH1 . ARG A 1 68  ? 12.173 16.961  -4.924  1.00 37.66 ? 68  ARG A NH1 1 
ATOM   563  N  NH2 . ARG A 1 68  ? 13.912 15.591  -4.344  1.00 29.15 ? 68  ARG A NH2 1 
ATOM   564  N  N   . THR A 1 69  ? 13.441 13.805  -12.189 1.00 23.64 ? 69  THR A N   1 
ATOM   565  C  CA  . THR A 1 69  ? 14.828 13.647  -12.579 1.00 22.93 ? 69  THR A CA  1 
ATOM   566  C  C   . THR A 1 69  ? 14.854 13.518  -14.103 1.00 27.25 ? 69  THR A C   1 
ATOM   567  O  O   . THR A 1 69  ? 14.850 12.442  -14.639 1.00 27.56 ? 69  THR A O   1 
ATOM   568  C  CB  . THR A 1 69  ? 15.502 12.462  -11.845 1.00 21.85 ? 69  THR A CB  1 
ATOM   569  O  OG1 . THR A 1 69  ? 15.201 12.532  -10.446 1.00 21.81 ? 69  THR A OG1 1 
ATOM   570  C  CG2 . THR A 1 69  ? 16.994 12.498  -12.051 1.00 20.94 ? 69  THR A CG2 1 
ATOM   571  N  N   . PRO A 1 70  ? 14.838 14.657  -14.784 1.00 29.88 ? 70  PRO A N   1 
ATOM   572  C  CA  . PRO A 1 70  ? 14.786 14.618  -16.242 1.00 31.10 ? 70  PRO A CA  1 
ATOM   573  C  C   . PRO A 1 70  ? 15.944 13.860  -16.893 1.00 28.11 ? 70  PRO A C   1 
ATOM   574  O  O   . PRO A 1 70  ? 17.087 14.030  -16.534 1.00 30.10 ? 70  PRO A O   1 
ATOM   575  C  CB  . PRO A 1 70  ? 14.820 16.098  -16.624 1.00 32.24 ? 70  PRO A CB  1 
ATOM   576  C  CG  . PRO A 1 70  ? 14.317 16.819  -15.426 1.00 33.26 ? 70  PRO A CG  1 
ATOM   577  C  CD  . PRO A 1 70  ? 14.808 16.029  -14.258 1.00 33.71 ? 70  PRO A CD  1 
ATOM   578  N  N   . GLY A 1 71  ? 15.614 13.026  -17.864 1.00 31.19 ? 71  GLY A N   1 
ATOM   579  C  CA  . GLY A 1 71  ? 16.632 12.276  -18.570 1.00 33.24 ? 71  GLY A CA  1 
ATOM   580  C  C   . GLY A 1 71  ? 17.055 11.024  -17.857 1.00 32.72 ? 71  GLY A C   1 
ATOM   581  O  O   . GLY A 1 71  ? 17.965 10.348  -18.290 1.00 36.03 ? 71  GLY A O   1 
ATOM   582  N  N   . SER A 1 72  ? 16.373 10.709  -16.776 1.00 31.33 ? 72  SER A N   1 
ATOM   583  C  CA  . SER A 1 72  ? 16.732 9.577   -15.981 1.00 28.46 ? 72  SER A CA  1 
ATOM   584  C  C   . SER A 1 72  ? 16.186 8.282   -16.491 1.00 31.60 ? 72  SER A C   1 
ATOM   585  O  O   . SER A 1 72  ? 15.298 8.260   -17.316 1.00 27.75 ? 72  SER A O   1 
ATOM   586  C  CB  . SER A 1 72  ? 16.193 9.776   -14.549 1.00 29.51 ? 72  SER A CB  1 
ATOM   587  O  OG  . SER A 1 72  ? 14.791 9.775   -14.512 1.00 27.05 ? 72  SER A OG  1 
ATOM   588  N  N   . ARG A 1 73  ? 16.723 7.200   -15.957 1.00 25.86 ? 73  ARG A N   1 
ATOM   589  C  CA  . ARG A 1 73  ? 16.213 5.908   -16.305 1.00 29.53 ? 73  ARG A CA  1 
ATOM   590  C  C   . ARG A 1 73  ? 15.463 5.348   -15.111 1.00 28.34 ? 73  ARG A C   1 
ATOM   591  O  O   . ARG A 1 73  ? 15.569 5.885   -14.027 1.00 30.76 ? 73  ARG A O   1 
ATOM   592  C  CB  . ARG A 1 73  ? 17.339 4.973   -16.692 1.00 35.78 ? 73  ARG A CB  1 
ATOM   593  C  CG  . ARG A 1 73  ? 18.165 5.405   -17.886 1.00 46.45 ? 73  ARG A CG  1 
ATOM   594  C  CD  . ARG A 1 73  ? 18.486 4.198   -18.752 1.00 60.55 ? 73  ARG A CD  1 
ATOM   595  N  NE  . ARG A 1 73  ? 19.789 4.292   -19.403 1.00 75.19 ? 73  ARG A NE  1 
ATOM   596  C  CZ  . ARG A 1 73  ? 20.482 3.245   -19.839 1.00 79.77 ? 73  ARG A CZ  1 
ATOM   597  N  NH1 . ARG A 1 73  ? 19.993 2.020   -19.699 1.00 74.84 ? 73  ARG A NH1 1 
ATOM   598  N  NH2 . ARG A 1 73  ? 21.662 3.422   -20.420 1.00 82.86 ? 73  ARG A NH2 1 
ATOM   599  N  N   . ASN A 1 74  ? 14.682 4.316   -15.328 1.00 25.57 ? 74  ASN A N   1 
ATOM   600  C  CA  . ASN A 1 74  ? 13.943 3.667   -14.271 1.00 24.90 ? 74  ASN A CA  1 
ATOM   601  C  C   . ASN A 1 74  ? 14.224 2.177   -14.433 1.00 22.75 ? 74  ASN A C   1 
ATOM   602  O  O   . ASN A 1 74  ? 13.348 1.407   -14.753 1.00 24.98 ? 74  ASN A O   1 
ATOM   603  C  CB  . ASN A 1 74  ? 12.464 3.972   -14.372 1.00 23.77 ? 74  ASN A CB  1 
ATOM   604  C  CG  . ASN A 1 74  ? 11.642 3.329   -13.276 1.00 23.69 ? 74  ASN A CG  1 
ATOM   605  O  OD1 . ASN A 1 74  ? 12.165 2.758   -12.333 1.00 25.31 ? 74  ASN A OD1 1 
ATOM   606  N  ND2 . ASN A 1 74  ? 10.334 3.424   -13.410 1.00 26.46 ? 74  ASN A ND2 1 
ATOM   607  N  N   . LEU A 1 75  ? 15.461 1.784   -14.208 1.00 22.91 ? 75  LEU A N   1 
ATOM   608  C  CA  . LEU A 1 75  ? 15.846 0.406   -14.423 1.00 25.86 ? 75  LEU A CA  1 
ATOM   609  C  C   . LEU A 1 75  ? 15.209 -0.634  -13.495 1.00 25.39 ? 75  LEU A C   1 
ATOM   610  O  O   . LEU A 1 75  ? 15.133 -1.780  -13.859 1.00 27.82 ? 75  LEU A O   1 
ATOM   611  C  CB  . LEU A 1 75  ? 17.360 0.323   -14.378 1.00 28.14 ? 75  LEU A CB  1 
ATOM   612  C  CG  . LEU A 1 75  ? 18.070 1.054   -15.518 1.00 30.74 ? 75  LEU A CG  1 
ATOM   613  C  CD1 . LEU A 1 75  ? 19.578 0.980   -15.371 1.00 31.19 ? 75  LEU A CD1 1 
ATOM   614  C  CD2 . LEU A 1 75  ? 17.635 0.493   -16.856 1.00 33.46 ? 75  LEU A CD2 1 
ATOM   615  N  N   . CYS A 1 76  ? 14.754 -0.235  -12.313 1.00 21.80 ? 76  CYS A N   1 
ATOM   616  C  CA  . CYS A 1 76  ? 14.048 -1.167  -11.442 1.00 21.51 ? 76  CYS A CA  1 
ATOM   617  C  C   . CYS A 1 76  ? 12.550 -1.125  -11.703 1.00 23.69 ? 76  CYS A C   1 
ATOM   618  O  O   . CYS A 1 76  ? 11.809 -1.863  -11.089 1.00 24.19 ? 76  CYS A O   1 
ATOM   619  C  CB  . CYS A 1 76  ? 14.371 -0.922  -9.971  1.00 21.74 ? 76  CYS A CB  1 
ATOM   620  S  SG  . CYS A 1 76  ? 16.092 -1.315  -9.600  1.00 23.76 ? 76  CYS A SG  1 
ATOM   621  N  N   . ASN A 1 77  ? 12.120 -0.250  -12.600 1.00 26.50 ? 77  ASN A N   1 
ATOM   622  C  CA  . ASN A 1 77  ? 10.710 -0.179  -13.000 1.00 30.29 ? 77  ASN A CA  1 
ATOM   623  C  C   . ASN A 1 77  ? 9.834  0.008   -11.820 1.00 28.58 ? 77  ASN A C   1 
ATOM   624  O  O   . ASN A 1 77  ? 8.848  -0.701  -11.669 1.00 27.58 ? 77  ASN A O   1 
ATOM   625  C  CB  . ASN A 1 77  ? 10.325 -1.420  -13.775 1.00 36.86 ? 77  ASN A CB  1 
ATOM   626  C  CG  . ASN A 1 77  ? 10.727 -1.329  -15.217 1.00 47.55 ? 77  ASN A CG  1 
ATOM   627  O  OD1 . ASN A 1 77  ? 11.661 -1.989  -15.652 1.00 53.25 ? 77  ASN A OD1 1 
ATOM   628  N  ND2 . ASN A 1 77  ? 10.035 -0.485  -15.965 1.00 54.63 ? 77  ASN A ND2 1 
ATOM   629  N  N   A ILE A 1 78  ? 10.065 1.081   -11.081 0.50 24.63 ? 78  ILE A N   1 
ATOM   630  N  N   B ILE A 1 78  ? 10.051 1.098   -11.100 0.50 25.68 ? 78  ILE A N   1 
ATOM   631  C  CA  A ILE A 1 78  ? 9.293  1.322   -9.896  0.50 23.46 ? 78  ILE A CA  1 
ATOM   632  C  CA  B ILE A 1 78  ? 9.301  1.317   -9.902  0.50 25.52 ? 78  ILE A CA  1 
ATOM   633  C  C   A ILE A 1 78  ? 9.342  2.769   -9.518  0.50 22.82 ? 78  ILE A C   1 
ATOM   634  C  C   B ILE A 1 78  ? 9.351  2.769   -9.506  0.50 23.87 ? 78  ILE A C   1 
ATOM   635  O  O   A ILE A 1 78  ? 10.257 3.478   -9.909  0.50 21.60 ? 78  ILE A O   1 
ATOM   636  O  O   B ILE A 1 78  ? 10.252 3.485   -9.918  0.50 22.37 ? 78  ILE A O   1 
ATOM   637  C  CB  A ILE A 1 78  ? 9.862  0.567   -8.671  0.50 22.52 ? 78  ILE A CB  1 
ATOM   638  C  CB  B ILE A 1 78  ? 9.902  0.452   -8.765  0.50 26.74 ? 78  ILE A CB  1 
ATOM   639  C  CG1 A ILE A 1 78  ? 11.384 0.710   -8.626  0.50 22.08 ? 78  ILE A CG1 1 
ATOM   640  C  CG1 B ILE A 1 78  ? 8.953  0.343   -7.578  0.50 28.80 ? 78  ILE A CG1 1 
ATOM   641  C  CG2 A ILE A 1 78  ? 9.449  -0.896  -8.668  0.50 22.67 ? 78  ILE A CG2 1 
ATOM   642  C  CG2 B ILE A 1 78  ? 11.252 0.999   -8.324  0.50 26.10 ? 78  ILE A CG2 1 
ATOM   643  C  CD1 A ILE A 1 78  ? 11.955 0.692   -7.229  0.50 22.82 ? 78  ILE A CD1 1 
ATOM   644  C  CD1 B ILE A 1 78  ? 9.164  -0.914  -6.770  0.50 30.66 ? 78  ILE A CD1 1 
ATOM   645  N  N   . PRO A 1 79  ? 8.261  3.256   -8.908  1.00 23.27 ? 79  PRO A N   1 
ATOM   646  C  CA  . PRO A 1 79  ? 8.302  4.616   -8.435  1.00 23.31 ? 79  PRO A CA  1 
ATOM   647  C  C   . PRO A 1 79  ? 9.255  4.610   -7.223  1.00 21.01 ? 79  PRO A C   1 
ATOM   648  O  O   . PRO A 1 79  ? 9.251  3.693   -6.430  1.00 20.24 ? 79  PRO A O   1 
ATOM   649  C  CB  . PRO A 1 79  ? 6.872  4.870   -8.012  1.00 23.55 ? 79  PRO A CB  1 
ATOM   650  C  CG  . PRO A 1 79  ? 6.263  3.529   -7.809  1.00 26.77 ? 79  PRO A CG  1 
ATOM   651  C  CD  . PRO A 1 79  ? 6.934  2.642   -8.795  1.00 24.29 ? 79  PRO A CD  1 
ATOM   652  N  N   . CYS A 1 80  ? 10.049 5.646   -7.100  1.00 18.92 ? 80  CYS A N   1 
ATOM   653  C  CA  . CYS A 1 80  ? 10.994 5.729   -5.984  1.00 17.98 ? 80  CYS A CA  1 
ATOM   654  C  C   . CYS A 1 80  ? 10.332 5.649   -4.610  1.00 19.00 ? 80  CYS A C   1 
ATOM   655  O  O   . CYS A 1 80  ? 10.911 5.176   -3.678  1.00 21.37 ? 80  CYS A O   1 
ATOM   656  C  CB  . CYS A 1 80  ? 11.782 7.016   -6.080  1.00 16.94 ? 80  CYS A CB  1 
ATOM   657  S  SG  . CYS A 1 80  ? 12.726 7.208   -7.612  1.00 18.49 ? 80  CYS A SG  1 
ATOM   658  N  N   . SER A 1 81  ? 9.120  6.148   -4.519  1.00 20.60 ? 81  SER A N   1 
ATOM   659  C  CA  . SER A 1 81  ? 8.370  6.117   -3.264  1.00 21.30 ? 81  SER A CA  1 
ATOM   660  C  C   . SER A 1 81  ? 8.208  4.719   -2.700  1.00 22.94 ? 81  SER A C   1 
ATOM   661  O  O   . SER A 1 81  ? 8.105  4.536   -1.511  1.00 22.33 ? 81  SER A O   1 
ATOM   662  C  CB  . SER A 1 81  ? 6.991  6.739   -3.499  1.00 22.14 ? 81  SER A CB  1 
ATOM   663  O  OG  . SER A 1 81  ? 6.220  5.989   -4.399  1.00 24.62 ? 81  SER A OG  1 
ATOM   664  N  N   . ALA A 1 82  ? 8.164  3.746   -3.581  1.00 21.24 ? 82  ALA A N   1 
ATOM   665  C  CA  . ALA A 1 82  ? 8.080  2.360   -3.166  1.00 24.19 ? 82  ALA A CA  1 
ATOM   666  C  C   . ALA A 1 82  ? 9.291  1.912   -2.365  1.00 24.51 ? 82  ALA A C   1 
ATOM   667  O  O   . ALA A 1 82  ? 9.222  0.943   -1.648  1.00 27.76 ? 82  ALA A O   1 
ATOM   668  C  CB  . ALA A 1 82  ? 7.951  1.493   -4.382  1.00 27.10 ? 82  ALA A CB  1 
ATOM   669  N  N   . LEU A 1 83  ? 10.385 2.630   -2.505  1.00 22.49 ? 83  LEU A N   1 
ATOM   670  C  CA  . LEU A 1 83  ? 11.595 2.314   -1.777  1.00 22.35 ? 83  LEU A CA  1 
ATOM   671  C  C   . LEU A 1 83  ? 11.576 2.828   -0.353  1.00 23.20 ? 83  LEU A C   1 
ATOM   672  O  O   . LEU A 1 83  ? 12.500 2.592   0.381   1.00 23.58 ? 83  LEU A O   1 
ATOM   673  C  CB  . LEU A 1 83  ? 12.764 2.928   -2.520  1.00 23.64 ? 83  LEU A CB  1 
ATOM   674  C  CG  . LEU A 1 83  ? 12.969 2.446   -3.956  1.00 22.95 ? 83  LEU A CG  1 
ATOM   675  C  CD1 . LEU A 1 83  ? 13.979 3.313   -4.689  1.00 24.49 ? 83  LEU A CD1 1 
ATOM   676  C  CD2 . LEU A 1 83  ? 13.430 1.004   -3.929  1.00 26.99 ? 83  LEU A CD2 1 
ATOM   677  N  N   . LEU A 1 84  ? 10.515 3.532   0.016   1.00 22.78 ? 84  LEU A N   1 
ATOM   678  C  CA  . LEU A 1 84  ? 10.429 4.118   1.336   1.00 22.80 ? 84  LEU A CA  1 
ATOM   679  C  C   . LEU A 1 84  ? 9.530  3.304   2.260   1.00 24.41 ? 84  LEU A C   1 
ATOM   680  O  O   . LEU A 1 84  ? 9.389  3.620   3.420   1.00 29.83 ? 84  LEU A O   1 
ATOM   681  C  CB  . LEU A 1 84  ? 9.935  5.547   1.204   1.00 22.90 ? 84  LEU A CB  1 
ATOM   682  C  CG  . LEU A 1 84  ? 10.772 6.482   0.335   1.00 26.68 ? 84  LEU A CG  1 
ATOM   683  C  CD1 . LEU A 1 84  ? 10.168 7.876   0.355   1.00 30.73 ? 84  LEU A CD1 1 
ATOM   684  C  CD2 . LEU A 1 84  ? 12.211 6.521   0.813   1.00 24.50 ? 84  LEU A CD2 1 
ATOM   685  N  N   . SER A 1 85  ? 8.942  2.259   1.729   1.00 24.53 ? 85  SER A N   1 
ATOM   686  C  CA  . SER A 1 85  ? 8.072  1.401   2.506   1.00 27.03 ? 85  SER A CA  1 
ATOM   687  C  C   . SER A 1 85  ? 8.730  0.738   3.685   1.00 25.77 ? 85  SER A C   1 
ATOM   688  O  O   . SER A 1 85  ? 9.912  0.525   3.678   1.00 25.22 ? 85  SER A O   1 
ATOM   689  C  CB  . SER A 1 85  ? 7.518  0.295   1.608   1.00 26.62 ? 85  SER A CB  1 
ATOM   690  O  OG  . SER A 1 85  ? 6.701  -0.591  2.329   1.00 29.76 ? 85  SER A OG  1 
ATOM   691  N  N   . SER A 1 86  ? 7.937  0.405   4.690   1.00 25.41 ? 86  SER A N   1 
ATOM   692  C  CA  . SER A 1 86  ? 8.450  -0.337  5.840   1.00 28.52 ? 86  SER A CA  1 
ATOM   693  C  C   . SER A 1 86  ? 8.751  -1.754  5.397   1.00 27.21 ? 86  SER A C   1 
ATOM   694  O  O   . SER A 1 86  ? 9.436  -2.479  6.081   1.00 30.44 ? 86  SER A O   1 
ATOM   695  C  CB  . SER A 1 86  ? 7.448  -0.328  6.997   1.00 32.63 ? 86  SER A CB  1 
ATOM   696  O  OG  . SER A 1 86  ? 6.207  -0.883  6.616   1.00 37.01 ? 86  SER A OG  1 
ATOM   697  N  N   . ASP A 1 87  ? 8.231  -2.135  4.247   1.00 27.36 ? 87  ASP A N   1 
ATOM   698  C  CA  . ASP A 1 87  ? 8.484  -3.438  3.689   1.00 29.09 ? 87  ASP A CA  1 
ATOM   699  C  C   . ASP A 1 87  ? 9.637  -3.248  2.735   1.00 25.08 ? 87  ASP A C   1 
ATOM   700  O  O   . ASP A 1 87  ? 9.519  -2.526  1.774   1.00 26.81 ? 87  ASP A O   1 
ATOM   701  C  CB  . ASP A 1 87  ? 7.248  -3.951  2.977   1.00 31.52 ? 87  ASP A CB  1 
ATOM   702  C  CG  . ASP A 1 87  ? 7.486  -5.245  2.216   1.00 39.32 ? 87  ASP A CG  1 
ATOM   703  O  OD1 . ASP A 1 87  ? 8.618  -5.752  2.168   1.00 36.86 ? 87  ASP A OD1 1 
ATOM   704  O  OD2 . ASP A 1 87  ? 6.505  -5.768  1.665   1.00 47.63 ? 87  ASP A OD2 1 
ATOM   705  N  N   . ILE A 1 88  ? 10.743 -3.921  2.988   1.00 24.55 ? 88  ILE A N   1 
ATOM   706  C  CA  . ILE A 1 88  ? 11.940 -3.673  2.193   1.00 24.87 ? 88  ILE A CA  1 
ATOM   707  C  C   . ILE A 1 88  ? 12.020 -4.416  0.874   1.00 23.69 ? 88  ILE A C   1 
ATOM   708  O  O   . ILE A 1 88  ? 13.004 -4.311  0.180   1.00 25.96 ? 88  ILE A O   1 
ATOM   709  C  CB  . ILE A 1 88  ? 13.199 -3.981  3.020   1.00 25.14 ? 88  ILE A CB  1 
ATOM   710  C  CG1 . ILE A 1 88  ? 13.256 -5.468  3.378   1.00 28.34 ? 88  ILE A CG1 1 
ATOM   711  C  CG2 . ILE A 1 88  ? 13.232 -3.116  4.269   1.00 26.58 ? 88  ILE A CG2 1 
ATOM   712  C  CD1 . ILE A 1 88  ? 14.594 -5.909  3.925   1.00 28.17 ? 88  ILE A CD1 1 
ATOM   713  N  N   . THR A 1 89  ? 10.968 -5.144  0.527   1.00 24.01 ? 89  THR A N   1 
ATOM   714  C  CA  . THR A 1 89  ? 10.988 -5.967  -0.692  1.00 25.30 ? 89  THR A CA  1 
ATOM   715  C  C   . THR A 1 89  ? 11.432 -5.205  -1.965  1.00 24.36 ? 89  THR A C   1 
ATOM   716  O  O   . THR A 1 89  ? 12.292 -5.653  -2.681  1.00 23.45 ? 89  THR A O   1 
ATOM   717  C  CB  . THR A 1 89  ? 9.628  -6.694  -0.909  1.00 26.37 ? 89  THR A CB  1 
ATOM   718  O  OG1 . THR A 1 89  ? 9.374  -7.553  0.205   1.00 27.96 ? 89  THR A OG1 1 
ATOM   719  C  CG2 . THR A 1 89  ? 9.654  -7.494  -2.184  1.00 28.62 ? 89  THR A CG2 1 
ATOM   720  N  N   . ALA A 1 90  ? 10.850 -4.047  -2.201  1.00 22.52 ? 90  ALA A N   1 
ATOM   721  C  CA  . ALA A 1 90  ? 11.182 -3.310  -3.402  1.00 22.60 ? 90  ALA A CA  1 
ATOM   722  C  C   . ALA A 1 90  ? 12.635 -2.847  -3.376  1.00 20.36 ? 90  ALA A C   1 
ATOM   723  O  O   . ALA A 1 90  ? 13.308 -2.901  -4.374  1.00 21.89 ? 90  ALA A O   1 
ATOM   724  C  CB  . ALA A 1 90  ? 10.248 -2.133  -3.573  1.00 23.07 ? 90  ALA A CB  1 
ATOM   725  N  N   . SER A 1 91  ? 13.098 -2.416  -2.213  1.00 18.39 ? 91  SER A N   1 
ATOM   726  C  CA  . SER A 1 91  ? 14.467 -1.966  -2.097  1.00 19.24 ? 91  SER A CA  1 
ATOM   727  C  C   . SER A 1 91  ? 15.437 -3.129  -2.346  1.00 19.82 ? 91  SER A C   1 
ATOM   728  O  O   . SER A 1 91  ? 16.385 -2.997  -3.062  1.00 17.79 ? 91  SER A O   1 
ATOM   729  C  CB  . SER A 1 91  ? 14.703 -1.292  -0.744  1.00 19.51 ? 91  SER A CB  1 
ATOM   730  O  OG  . SER A 1 91  ? 14.073 -0.035  -0.684  1.00 23.02 ? 91  SER A OG  1 
ATOM   731  N  N   . VAL A 1 92  ? 15.145 -4.267  -1.742  1.00 19.12 ? 92  VAL A N   1 
ATOM   732  C  CA  . VAL A 1 92  ? 15.988 -5.445  -1.949  1.00 22.12 ? 92  VAL A CA  1 
ATOM   733  C  C   . VAL A 1 92  ? 16.011 -5.926  -3.408  1.00 20.85 ? 92  VAL A C   1 
ATOM   734  O  O   . VAL A 1 92  ? 17.037 -6.246  -3.940  1.00 22.92 ? 92  VAL A O   1 
ATOM   735  C  CB  . VAL A 1 92  ? 15.553 -6.600  -1.010  1.00 24.79 ? 92  VAL A CB  1 
ATOM   736  C  CG1 . VAL A 1 92  ? 16.251 -7.895  -1.374  1.00 27.30 ? 92  VAL A CG1 1 
ATOM   737  C  CG2 . VAL A 1 92  ? 15.800 -6.226  0.438   1.00 27.14 ? 92  VAL A CG2 1 
ATOM   738  N  N   . ASN A 1 93  ? 14.859 -5.956  -4.036  1.00 21.91 ? 93  ASN A N   1 
ATOM   739  C  CA  . ASN A 1 93  ? 14.807 -6.456  -5.391  1.00 24.73 ? 93  ASN A CA  1 
ATOM   740  C  C   . ASN A 1 93  ? 15.580 -5.546  -6.329  1.00 23.76 ? 93  ASN A C   1 
ATOM   741  O  O   . ASN A 1 93  ? 16.238 -5.999  -7.224  1.00 22.82 ? 93  ASN A O   1 
ATOM   742  C  CB  . ASN A 1 93  ? 13.369 -6.613  -5.859  1.00 26.82 ? 93  ASN A CB  1 
ATOM   743  C  CG  . ASN A 1 93  ? 12.670 -7.782  -5.200  1.00 30.72 ? 93  ASN A CG  1 
ATOM   744  O  OD1 . ASN A 1 93  ? 13.300 -8.609  -4.558  1.00 34.57 ? 93  ASN A OD1 1 
ATOM   745  N  ND2 . ASN A 1 93  ? 11.360 -7.849  -5.355  1.00 37.62 ? 93  ASN A ND2 1 
ATOM   746  N  N   . CYS A 1 94  ? 15.469 -4.251  -6.084  1.00 20.20 ? 94  CYS A N   1 
ATOM   747  C  CA  . CYS A 1 94  ? 16.183 -3.297  -6.906  1.00 20.21 ? 94  CYS A CA  1 
ATOM   748  C  C   . CYS A 1 94  ? 17.691 -3.385  -6.618  1.00 20.00 ? 94  CYS A C   1 
ATOM   749  O  O   . CYS A 1 94  ? 18.496 -3.306  -7.513  1.00 20.65 ? 94  CYS A O   1 
ATOM   750  C  CB  . CYS A 1 94  ? 15.626 -1.872  -6.703  1.00 19.41 ? 94  CYS A CB  1 
ATOM   751  S  SG  . CYS A 1 94  ? 16.347 -0.596  -7.731  1.00 21.54 ? 94  CYS A SG  1 
ATOM   752  N  N   . ALA A 1 95  ? 18.034 -3.529  -5.351  1.00 19.49 ? 95  ALA A N   1 
ATOM   753  C  CA  . ALA A 1 95  ? 19.441 -3.671  -4.975  1.00 20.05 ? 95  ALA A CA  1 
ATOM   754  C  C   . ALA A 1 95  ? 20.103 -4.872  -5.659  1.00 20.41 ? 95  ALA A C   1 
ATOM   755  O  O   . ALA A 1 95  ? 21.258 -4.838  -5.993  1.00 20.27 ? 95  ALA A O   1 
ATOM   756  C  CB  . ALA A 1 95  ? 19.565 -3.819  -3.482  1.00 19.81 ? 95  ALA A CB  1 
ATOM   757  N  N   . LYS A 1 96  ? 19.326 -5.921  -5.851  1.00 19.83 ? 96  LYS A N   1 
ATOM   758  C  CA  . LYS A 1 96  ? 19.848 -7.105  -6.498  1.00 20.88 ? 96  LYS A CA  1 
ATOM   759  C  C   . LYS A 1 96  ? 20.212 -6.783  -7.933  1.00 22.73 ? 96  LYS A C   1 
ATOM   760  O  O   . LYS A 1 96  ? 21.225 -7.214  -8.413  1.00 22.41 ? 96  LYS A O   1 
ATOM   761  C  CB  . LYS A 1 96  ? 18.818 -8.220  -6.396  1.00 22.83 ? 96  LYS A CB  1 
ATOM   762  C  CG  . LYS A 1 96  ? 18.660 -8.821  -5.019  1.00 23.28 ? 96  LYS A CG  1 
ATOM   763  C  CD  . LYS A 1 96  ? 17.631 -9.932  -5.070  1.00 27.78 ? 96  LYS A CD  1 
ATOM   764  C  CE  . LYS A 1 96  ? 17.458 -10.594 -3.719  1.00 30.86 ? 96  LYS A CE  1 
ATOM   765  N  NZ  . LYS A 1 96  ? 16.349 -11.582 -3.746  1.00 33.32 ? 96  LYS A NZ  1 
ATOM   766  N  N   A LYS A 1 97  ? 19.415 -5.943  -8.582  0.50 23.34 ? 97  LYS A N   1 
ATOM   767  N  N   B LYS A 1 97  ? 19.411 -5.947  -8.582  0.50 23.19 ? 97  LYS A N   1 
ATOM   768  C  CA  A LYS A 1 97  ? 19.713 -5.545  -9.949  0.50 24.00 ? 97  LYS A CA  1 
ATOM   769  C  CA  B LYS A 1 97  ? 19.716 -5.544  -9.949  0.50 23.64 ? 97  LYS A CA  1 
ATOM   770  C  C   A LYS A 1 97  ? 20.931 -4.646  -9.990  0.50 23.16 ? 97  LYS A C   1 
ATOM   771  C  C   B LYS A 1 97  ? 20.936 -4.651  -9.985  0.50 22.99 ? 97  LYS A C   1 
ATOM   772  O  O   A LYS A 1 97  ? 21.790 -4.801  -10.839 0.50 22.86 ? 97  LYS A O   1 
ATOM   773  O  O   B LYS A 1 97  ? 21.784 -4.792  -10.847 0.50 22.70 ? 97  LYS A O   1 
ATOM   774  C  CB  A LYS A 1 97  ? 18.509 -4.826  -10.549 0.50 26.45 ? 97  LYS A CB  1 
ATOM   775  C  CB  B LYS A 1 97  ? 18.526 -4.817  -10.560 0.50 25.63 ? 97  LYS A CB  1 
ATOM   776  C  CG  A LYS A 1 97  ? 18.825 -3.993  -11.777 0.50 30.47 ? 97  LYS A CG  1 
ATOM   777  C  CG  B LYS A 1 97  ? 17.192 -5.311  -10.040 0.50 29.23 ? 97  LYS A CG  1 
ATOM   778  C  CD  A LYS A 1 97  ? 17.558 -3.459  -12.419 0.50 33.33 ? 97  LYS A CD  1 
ATOM   779  C  CD  B LYS A 1 97  ? 16.032 -4.714  -10.815 0.50 34.09 ? 97  LYS A CD  1 
ATOM   780  C  CE  A LYS A 1 97  ? 17.040 -4.419  -13.474 0.50 36.20 ? 97  LYS A CE  1 
ATOM   781  C  CE  B LYS A 1 97  ? 14.883 -5.702  -10.914 0.50 36.87 ? 97  LYS A CE  1 
ATOM   782  N  NZ  A LYS A 1 97  ? 15.553 -4.462  -13.511 0.50 37.06 ? 97  LYS A NZ  1 
ATOM   783  N  NZ  B LYS A 1 97  ? 13.612 -5.037  -11.307 0.50 39.01 ? 97  LYS A NZ  1 
ATOM   784  N  N   . ILE A 1 98  ? 21.033 -3.740  -9.027  1.00 19.84 ? 98  ILE A N   1 
ATOM   785  C  CA  . ILE A 1 98  ? 22.166 -2.844  -8.984  1.00 18.42 ? 98  ILE A CA  1 
ATOM   786  C  C   . ILE A 1 98  ? 23.480 -3.602  -8.774  1.00 21.48 ? 98  ILE A C   1 
ATOM   787  O  O   . ILE A 1 98  ? 24.418 -3.418  -9.515  1.00 22.20 ? 98  ILE A O   1 
ATOM   788  C  CB  . ILE A 1 98  ? 21.963 -1.794  -7.877  1.00 20.03 ? 98  ILE A CB  1 
ATOM   789  C  CG1 . ILE A 1 98  ? 20.697 -0.983  -8.130  1.00 18.91 ? 98  ILE A CG1 1 
ATOM   790  C  CG2 . ILE A 1 98  ? 23.178 -0.886  -7.771  1.00 21.57 ? 98  ILE A CG2 1 
ATOM   791  C  CD1 . ILE A 1 98  ? 20.319 -0.090  -6.974  1.00 19.75 ? 98  ILE A CD1 1 
ATOM   792  N  N   . VAL A 1 99  ? 23.524 -4.451  -7.764  1.00 19.90 ? 99  VAL A N   1 
ATOM   793  C  CA  . VAL A 1 99  ? 24.743 -5.185  -7.440  1.00 24.68 ? 99  VAL A CA  1 
ATOM   794  C  C   . VAL A 1 99  ? 25.143 -6.153  -8.544  1.00 25.93 ? 99  VAL A C   1 
ATOM   795  O  O   . VAL A 1 99  ? 26.264 -6.580  -8.592  1.00 25.95 ? 99  VAL A O   1 
ATOM   796  C  CB  . VAL A 1 99  ? 24.603 -5.939  -6.078  1.00 23.60 ? 99  VAL A CB  1 
ATOM   797  C  CG1 . VAL A 1 99  ? 23.742 -7.180  -6.213  1.00 24.66 ? 99  VAL A CG1 1 
ATOM   798  C  CG2 . VAL A 1 99  ? 25.966 -6.254  -5.488  1.00 24.76 ? 99  VAL A CG2 1 
ATOM   799  N  N   . SER A 1 100 ? 24.212 -6.468  -9.433  1.00 25.01 ? 100 SER A N   1 
ATOM   800  C  CA  . SER A 1 100 ? 24.457 -7.407  -10.512 1.00 25.86 ? 100 SER A CA  1 
ATOM   801  C  C   . SER A 1 100 ? 24.903 -6.732  -11.792 1.00 28.36 ? 100 SER A C   1 
ATOM   802  O  O   . SER A 1 100 ? 25.179 -7.391  -12.760 1.00 29.20 ? 100 SER A O   1 
ATOM   803  C  CB  . SER A 1 100 ? 23.167 -8.203  -10.756 1.00 24.36 ? 100 SER A CB  1 
ATOM   804  O  OG  . SER A 1 100 ? 22.868 -9.068  -9.692  1.00 28.12 ? 100 SER A OG  1 
ATOM   805  N  N   . ASP A 1 101 ? 25.030 -5.419  -11.781 1.00 28.72 ? 101 ASP A N   1 
ATOM   806  C  CA  . ASP A 1 101 ? 25.290 -4.697  -13.018 1.00 29.71 ? 101 ASP A CA  1 
ATOM   807  C  C   . ASP A 1 101 ? 26.744 -4.536  -13.422 1.00 34.04 ? 101 ASP A C   1 
ATOM   808  O  O   . ASP A 1 101 ? 27.037 -3.842  -14.374 1.00 33.60 ? 101 ASP A O   1 
ATOM   809  C  CB  . ASP A 1 101 ? 24.606 -3.335  -12.944 1.00 32.29 ? 101 ASP A CB  1 
ATOM   810  C  CG  . ASP A 1 101 ? 25.396 -2.298  -12.205 1.00 36.87 ? 101 ASP A CG  1 
ATOM   811  O  OD1 . ASP A 1 101 ? 26.393 -2.614  -11.529 1.00 42.67 ? 101 ASP A OD1 1 
ATOM   812  O  OD2 . ASP A 1 101 ? 24.986 -1.131  -12.302 1.00 41.42 ? 101 ASP A OD2 1 
ATOM   813  N  N   . GLY A 1 102 ? 27.634 -5.167  -12.680 1.00 33.69 ? 102 GLY A N   1 
ATOM   814  C  CA  . GLY A 1 102 ? 29.029 -5.084  -12.995 1.00 33.45 ? 102 GLY A CA  1 
ATOM   815  C  C   . GLY A 1 102 ? 29.908 -4.499  -11.923 1.00 33.97 ? 102 GLY A C   1 
ATOM   816  O  O   . GLY A 1 102 ? 31.048 -4.894  -11.789 1.00 31.31 ? 102 GLY A O   1 
ATOM   817  N  N   . ASN A 1 103 ? 29.375 -3.565  -11.152 1.00 30.63 ? 103 ASN A N   1 
ATOM   818  C  CA  . ASN A 1 103 ? 30.191 -2.893  -10.166 1.00 29.21 ? 103 ASN A CA  1 
ATOM   819  C  C   . ASN A 1 103 ? 30.009 -3.365  -8.718  1.00 21.72 ? 103 ASN A C   1 
ATOM   820  O  O   . ASN A 1 103 ? 30.594 -2.824  -7.815  1.00 21.20 ? 103 ASN A O   1 
ATOM   821  C  CB  . ASN A 1 103 ? 29.929 -1.416  -10.282 1.00 35.15 ? 103 ASN A CB  1 
ATOM   822  C  CG  . ASN A 1 103 ? 30.366 -0.868  -11.612 1.00 39.55 ? 103 ASN A CG  1 
ATOM   823  O  OD1 . ASN A 1 103 ? 31.546 -0.856  -11.921 1.00 40.81 ? 103 ASN A OD1 1 
ATOM   824  N  ND2 . ASN A 1 103 ? 29.413 -0.429  -12.413 1.00 49.13 ? 103 ASN A ND2 1 
ATOM   825  N  N   . GLY A 1 104 ? 29.201 -4.377  -8.532  1.00 20.81 ? 104 GLY A N   1 
ATOM   826  C  CA  . GLY A 1 104 ? 29.020 -4.900  -7.211  1.00 20.88 ? 104 GLY A CA  1 
ATOM   827  C  C   . GLY A 1 104 ? 28.519 -3.849  -6.241  1.00 21.12 ? 104 GLY A C   1 
ATOM   828  O  O   . GLY A 1 104 ? 27.788 -2.971  -6.613  1.00 20.45 ? 104 GLY A O   1 
ATOM   829  N  N   . MET A 1 105 ? 28.941 -3.964  -4.989  1.00 18.37 ? 105 MET A N   1 
ATOM   830  C  CA  . MET A 1 105 ? 28.470 -3.028  -3.965  1.00 19.18 ? 105 MET A CA  1 
ATOM   831  C  C   . MET A 1 105 ? 29.170 -1.662  -4.000  1.00 18.10 ? 105 MET A C   1 
ATOM   832  O  O   . MET A 1 105 ? 28.832 -0.797  -3.253  1.00 18.45 ? 105 MET A O   1 
ATOM   833  C  CB  . MET A 1 105 ? 28.549 -3.674  -2.582  1.00 18.16 ? 105 MET A CB  1 
ATOM   834  C  CG  . MET A 1 105 ? 27.505 -4.752  -2.375  1.00 19.09 ? 105 MET A CG  1 
ATOM   835  S  SD  . MET A 1 105 ? 27.241 -5.140  -0.643  1.00 21.58 ? 105 MET A SD  1 
ATOM   836  C  CE  . MET A 1 105 ? 26.339 -3.684  -0.123  1.00 21.69 ? 105 MET A CE  1 
ATOM   837  N  N   . ASN A 1 106 ? 30.132 -1.502  -4.898  1.00 19.60 ? 106 ASN A N   1 
ATOM   838  C  CA  . ASN A 1 106 ? 30.813 -0.224  -5.044  1.00 18.89 ? 106 ASN A CA  1 
ATOM   839  C  C   . ASN A 1 106 ? 29.821 0.859   -5.470  1.00 20.54 ? 106 ASN A C   1 
ATOM   840  O  O   . ASN A 1 106 ? 30.103 2.022   -5.348  1.00 23.56 ? 106 ASN A O   1 
ATOM   841  C  CB  . ASN A 1 106 ? 31.949 -0.366  -6.030  1.00 19.43 ? 106 ASN A CB  1 
ATOM   842  C  CG  . ASN A 1 106 ? 33.043 -1.260  -5.515  1.00 20.04 ? 106 ASN A CG  1 
ATOM   843  O  OD1 . ASN A 1 106 ? 33.305 -2.314  -6.073  1.00 25.58 ? 106 ASN A OD1 1 
ATOM   844  N  ND2 . ASN A 1 106 ? 33.673 -0.850  -4.437  1.00 18.69 ? 106 ASN A ND2 1 
ATOM   845  N  N   . ALA A 1 107 ? 28.666 0.454   -5.974  1.00 19.94 ? 107 ALA A N   1 
ATOM   846  C  CA  . ALA A 1 107 ? 27.609 1.412   -6.297  1.00 20.27 ? 107 ALA A CA  1 
ATOM   847  C  C   . ALA A 1 107 ? 27.200 2.226   -5.065  1.00 21.26 ? 107 ALA A C   1 
ATOM   848  O  O   . ALA A 1 107 ? 26.750 3.342   -5.194  1.00 22.90 ? 107 ALA A O   1 
ATOM   849  C  CB  . ALA A 1 107 ? 26.405 0.703   -6.852  1.00 20.57 ? 107 ALA A CB  1 
ATOM   850  N  N   . TRP A 1 108 ? 27.372 1.648   -3.889  1.00 19.25 ? 108 TRP A N   1 
ATOM   851  C  CA  . TRP A 1 108 ? 27.027 2.312   -2.659  1.00 18.60 ? 108 TRP A CA  1 
ATOM   852  C  C   . TRP A 1 108 ? 28.278 2.945   -2.067  1.00 20.07 ? 108 TRP A C   1 
ATOM   853  O  O   . TRP A 1 108 ? 29.137 2.281   -1.549  1.00 18.79 ? 108 TRP A O   1 
ATOM   854  C  CB  . TRP A 1 108 ? 26.395 1.340   -1.679  1.00 19.38 ? 108 TRP A CB  1 
ATOM   855  C  CG  . TRP A 1 108 ? 24.993 0.979   -2.024  1.00 18.91 ? 108 TRP A CG  1 
ATOM   856  C  CD1 . TRP A 1 108 ? 23.870 1.689   -1.731  1.00 20.76 ? 108 TRP A CD1 1 
ATOM   857  C  CD2 . TRP A 1 108 ? 24.559 -0.180  -2.740  1.00 19.56 ? 108 TRP A CD2 1 
ATOM   858  N  NE1 . TRP A 1 108 ? 22.764 1.045   -2.215  1.00 20.96 ? 108 TRP A NE1 1 
ATOM   859  C  CE2 . TRP A 1 108 ? 23.158 -0.107  -2.840  1.00 20.57 ? 108 TRP A CE2 1 
ATOM   860  C  CE3 . TRP A 1 108 ? 25.218 -1.275  -3.301  1.00 21.00 ? 108 TRP A CE3 1 
ATOM   861  C  CZ2 . TRP A 1 108 ? 22.405 -1.085  -3.480  1.00 18.98 ? 108 TRP A CZ2 1 
ATOM   862  C  CZ3 . TRP A 1 108 ? 24.468 -2.243  -3.935  1.00 19.98 ? 108 TRP A CZ3 1 
ATOM   863  C  CH2 . TRP A 1 108 ? 23.076 -2.142  -4.018  1.00 20.34 ? 108 TRP A CH2 1 
ATOM   864  N  N   . VAL A 1 109 ? 28.339 4.257   -2.161  1.00 20.95 ? 109 VAL A N   1 
ATOM   865  C  CA  . VAL A 1 109 ? 29.509 4.970   -1.679  1.00 22.72 ? 109 VAL A CA  1 
ATOM   866  C  C   . VAL A 1 109 ? 29.857 4.694   -0.205  1.00 20.34 ? 109 VAL A C   1 
ATOM   867  O  O   . VAL A 1 109 ? 30.990 4.507   0.123   1.00 20.59 ? 109 VAL A O   1 
ATOM   868  C  CB  . VAL A 1 109 ? 29.346 6.490   -1.922  1.00 26.37 ? 109 VAL A CB  1 
ATOM   869  C  CG1 . VAL A 1 109 ? 30.636 7.221   -1.608  1.00 27.69 ? 109 VAL A CG1 1 
ATOM   870  C  CG2 . VAL A 1 109 ? 28.948 6.743   -3.363  1.00 34.11 ? 109 VAL A CG2 1 
ATOM   871  N  N   . ALA A 1 110 ? 28.844 4.634   0.636   1.00 19.96 ? 110 ALA A N   1 
ATOM   872  C  CA  . ALA A 1 110 ? 29.092 4.408   2.053   1.00 19.99 ? 110 ALA A CA  1 
ATOM   873  C  C   . ALA A 1 110 ? 29.607 3.018   2.285   1.00 19.78 ? 110 ALA A C   1 
ATOM   874  O  O   . ALA A 1 110 ? 30.386 2.791   3.177   1.00 19.69 ? 110 ALA A O   1 
ATOM   875  C  CB  . ALA A 1 110 ? 27.849 4.654   2.872   1.00 22.13 ? 110 ALA A CB  1 
ATOM   876  N  N   . TRP A 1 111 ? 29.161 2.086   1.457   1.00 19.13 ? 111 TRP A N   1 
ATOM   877  C  CA  . TRP A 1 111 ? 29.704 0.763   1.564   1.00 18.51 ? 111 TRP A CA  1 
ATOM   878  C  C   . TRP A 1 111 ? 31.184 0.803   1.223   1.00 19.46 ? 111 TRP A C   1 
ATOM   879  O  O   . TRP A 1 111 ? 31.991 0.307   1.967   1.00 19.21 ? 111 TRP A O   1 
ATOM   880  C  CB  . TRP A 1 111 ? 29.015 -0.243  0.657   1.00 19.22 ? 111 TRP A CB  1 
ATOM   881  C  CG  . TRP A 1 111 ? 29.605 -1.579  0.779   1.00 18.18 ? 111 TRP A CG  1 
ATOM   882  C  CD1 . TRP A 1 111 ? 29.372 -2.483  1.761   1.00 19.03 ? 111 TRP A CD1 1 
ATOM   883  C  CD2 . TRP A 1 111 ? 30.561 -2.171  -0.097  1.00 18.79 ? 111 TRP A CD2 1 
ATOM   884  N  NE1 . TRP A 1 111 ? 30.113 -3.606  1.551   1.00 19.24 ? 111 TRP A NE1 1 
ATOM   885  C  CE2 . TRP A 1 111 ? 30.856 -3.442  0.414   1.00 19.16 ? 111 TRP A CE2 1 
ATOM   886  C  CE3 . TRP A 1 111 ? 31.193 -1.751  -1.268  1.00 17.98 ? 111 TRP A CE3 1 
ATOM   887  C  CZ2 . TRP A 1 111 ? 31.749 -4.300  -0.204  1.00 21.15 ? 111 TRP A CZ2 1 
ATOM   888  C  CZ3 . TRP A 1 111 ? 32.076 -2.599  -1.877  1.00 21.07 ? 111 TRP A CZ3 1 
ATOM   889  C  CH2 . TRP A 1 111 ? 32.347 -3.860  -1.348  1.00 20.21 ? 111 TRP A CH2 1 
ATOM   890  N  N   . ARG A 1 112 ? 31.509 1.396   0.083   1.00 17.38 ? 112 ARG A N   1 
ATOM   891  C  CA  . ARG A 1 112 ? 32.902 1.455   -0.342  1.00 20.48 ? 112 ARG A CA  1 
ATOM   892  C  C   . ARG A 1 112 ? 33.777 2.128   0.709   1.00 19.77 ? 112 ARG A C   1 
ATOM   893  O  O   . ARG A 1 112 ? 34.848 1.681   0.982   1.00 19.09 ? 112 ARG A O   1 
ATOM   894  C  CB  . ARG A 1 112 ? 33.047 2.208   -1.668  1.00 23.37 ? 112 ARG A CB  1 
ATOM   895  C  CG  . ARG A 1 112 ? 34.379 2.038   -2.364  1.00 32.86 ? 112 ARG A CG  1 
ATOM   896  C  CD  . ARG A 1 112 ? 34.409 2.778   -3.696  1.00 40.21 ? 112 ARG A CD  1 
ATOM   897  N  NE  . ARG A 1 112 ? 33.075 3.080   -4.199  1.00 40.90 ? 112 ARG A NE  1 
ATOM   898  C  CZ  . ARG A 1 112 ? 32.591 4.304   -4.376  1.00 42.30 ? 112 ARG A CZ  1 
ATOM   899  N  NH1 . ARG A 1 112 ? 33.324 5.365   -4.090  1.00 45.34 ? 112 ARG A NH1 1 
ATOM   900  N  NH2 . ARG A 1 112 ? 31.363 4.469   -4.840  1.00 45.12 ? 112 ARG A NH2 1 
ATOM   901  N  N   . ASN A 1 113 ? 33.269 3.194   1.293   1.00 19.92 ? 113 ASN A N   1 
ATOM   902  C  CA  . ASN A 1 113 ? 34.085 3.964   2.213   1.00 21.90 ? 113 ASN A CA  1 
ATOM   903  C  C   . ASN A 1 113 ? 34.022 3.576   3.691   1.00 24.33 ? 113 ASN A C   1 
ATOM   904  O  O   . ASN A 1 113 ? 34.868 3.974   4.448   1.00 24.13 ? 113 ASN A O   1 
ATOM   905  C  CB  . ASN A 1 113 ? 33.707 5.440   2.097   1.00 21.89 ? 113 ASN A CB  1 
ATOM   906  C  CG  . ASN A 1 113 ? 34.042 6.029   0.750   1.00 23.50 ? 113 ASN A CG  1 
ATOM   907  O  OD1 . ASN A 1 113 ? 34.998 5.629   0.109   1.00 27.27 ? 113 ASN A OD1 1 
ATOM   908  N  ND2 . ASN A 1 113 ? 33.256 7.000   0.326   1.00 22.25 ? 113 ASN A ND2 1 
ATOM   909  N  N   . ARG A 1 114 ? 33.029 2.808   4.083   1.00 23.19 ? 114 ARG A N   1 
ATOM   910  C  CA  . ARG A 1 114 ? 32.858 2.499   5.503   1.00 22.82 ? 114 ARG A CA  1 
ATOM   911  C  C   . ARG A 1 114 ? 32.663 1.027   5.841   1.00 23.68 ? 114 ARG A C   1 
ATOM   912  O  O   . ARG A 1 114 ? 32.676 0.682   7.001   1.00 25.74 ? 114 ARG A O   1 
ATOM   913  C  CB  . ARG A 1 114 ? 31.669 3.275   6.041   1.00 22.78 ? 114 ARG A CB  1 
ATOM   914  C  CG  . ARG A 1 114 ? 31.734 4.737   5.657   1.00 27.95 ? 114 ARG A CG  1 
ATOM   915  C  CD  . ARG A 1 114 ? 30.616 5.522   6.279   1.00 27.66 ? 114 ARG A CD  1 
ATOM   916  N  NE  . ARG A 1 114 ? 30.794 5.680   7.711   1.00 27.94 ? 114 ARG A NE  1 
ATOM   917  C  CZ  . ARG A 1 114 ? 30.040 6.481   8.447   1.00 26.60 ? 114 ARG A CZ  1 
ATOM   918  N  NH1 . ARG A 1 114 ? 29.084 7.182   7.867   1.00 27.06 ? 114 ARG A NH1 1 
ATOM   919  N  NH2 . ARG A 1 114 ? 30.236 6.579   9.745   1.00 26.78 ? 114 ARG A NH2 1 
ATOM   920  N  N   . CYS A 1 115 ? 32.489 0.184   4.827   1.00 19.50 ? 115 CYS A N   1 
ATOM   921  C  CA  . CYS A 1 115 ? 32.244 -1.226  5.054   1.00 19.37 ? 115 CYS A CA  1 
ATOM   922  C  C   . CYS A 1 115 ? 33.255 -2.114  4.344   1.00 21.51 ? 115 CYS A C   1 
ATOM   923  O  O   . CYS A 1 115 ? 33.704 -3.093  4.892   1.00 22.96 ? 115 CYS A O   1 
ATOM   924  C  CB  . CYS A 1 115 ? 30.842 -1.590  4.555   1.00 19.34 ? 115 CYS A CB  1 
ATOM   925  S  SG  . CYS A 1 115 ? 29.515 -0.614  5.282   1.00 19.64 ? 115 CYS A SG  1 
ATOM   926  N  N   . LYS A 1 116 ? 33.572 -1.762  3.116   1.00 21.07 ? 116 LYS A N   1 
ATOM   927  C  CA  . LYS A 1 116 ? 34.504 -2.523  2.305   1.00 20.96 ? 116 LYS A CA  1 
ATOM   928  C  C   . LYS A 1 116 ? 35.817 -2.642  3.073   1.00 21.58 ? 116 LYS A C   1 
ATOM   929  O  O   . LYS A 1 116 ? 36.317 -1.650  3.577   1.00 21.79 ? 116 LYS A O   1 
ATOM   930  C  CB  . LYS A 1 116 ? 34.711 -1.797  0.973   1.00 19.61 ? 116 LYS A CB  1 
ATOM   931  C  CG  . LYS A 1 116 ? 35.456 -2.580  -0.087  1.00 20.13 ? 116 LYS A CG  1 
ATOM   932  C  CD  . LYS A 1 116 ? 35.606 -1.812  -1.390  1.00 20.70 ? 116 LYS A CD  1 
ATOM   933  C  CE  . LYS A 1 116 ? 36.158 -2.603  -2.548  1.00 22.40 ? 116 LYS A CE  1 
ATOM   934  N  NZ  . LYS A 1 116 ? 36.335 -1.741  -3.721  1.00 24.84 ? 116 LYS A NZ  1 
ATOM   935  N  N   . GLY A 1 117 ? 36.289 -3.874  3.256   1.00 26.31 ? 117 GLY A N   1 
ATOM   936  C  CA  . GLY A 1 117 ? 37.584 -4.129  3.874   1.00 29.57 ? 117 GLY A CA  1 
ATOM   937  C  C   . GLY A 1 117 ? 37.527 -4.147  5.402   1.00 31.83 ? 117 GLY A C   1 
ATOM   938  O  O   . GLY A 1 117 ? 38.550 -4.341  6.056   1.00 35.35 ? 117 GLY A O   1 
ATOM   939  N  N   . THR A 1 118 ? 36.332 -3.981  5.977   1.00 27.45 ? 118 THR A N   1 
ATOM   940  C  CA  . THR A 1 118 ? 36.173 -4.001  7.427   1.00 27.02 ? 118 THR A CA  1 
ATOM   941  C  C   . THR A 1 118 ? 35.630 -5.368  7.830   1.00 26.62 ? 118 THR A C   1 
ATOM   942  O  O   . THR A 1 118 ? 35.247 -6.155  6.972   1.00 25.97 ? 118 THR A O   1 
ATOM   943  C  CB  . THR A 1 118 ? 35.266 -2.858  7.893   1.00 27.73 ? 118 THR A CB  1 
ATOM   944  O  OG1 . THR A 1 118 ? 33.907 -3.162  7.588   1.00 23.85 ? 118 THR A OG1 1 
ATOM   945  C  CG2 . THR A 1 118 ? 35.674 -1.530  7.276   1.00 28.99 ? 118 THR A CG2 1 
ATOM   946  N  N   . ASP A 1 119 ? 35.553 -5.614  9.143   1.00 28.31 ? 119 ASP A N   1 
ATOM   947  C  CA  . ASP A 1 119 ? 34.957 -6.837  9.653   1.00 31.94 ? 119 ASP A CA  1 
ATOM   948  C  C   . ASP A 1 119 ? 33.434 -6.708  9.621   1.00 28.77 ? 119 ASP A C   1 
ATOM   949  O  O   . ASP A 1 119 ? 32.813 -6.354  10.615  1.00 30.05 ? 119 ASP A O   1 
ATOM   950  C  CB  . ASP A 1 119 ? 35.439 -7.135  11.067  1.00 36.96 ? 119 ASP A CB  1 
ATOM   951  C  CG  . ASP A 1 119 ? 34.824 -8.378  11.700  1.00 44.11 ? 119 ASP A CG  1 
ATOM   952  O  OD1 . ASP A 1 119 ? 34.308 -9.239  10.942  1.00 44.94 ? 119 ASP A OD1 1 
ATOM   953  O  OD2 . ASP A 1 119 ? 34.836 -8.458  12.944  1.00 49.27 ? 119 ASP A OD2 1 
ATOM   954  N  N   . VAL A 1 120 ? 32.811 -7.018  8.484   1.00 28.57 ? 120 VAL A N   1 
ATOM   955  C  CA  . VAL A 1 120 ? 31.392 -6.718  8.337   1.00 26.22 ? 120 VAL A CA  1 
ATOM   956  C  C   . VAL A 1 120 ? 30.528 -7.733  9.098   1.00 27.24 ? 120 VAL A C   1 
ATOM   957  O  O   . VAL A 1 120 ? 29.352 -7.484  9.350   1.00 24.55 ? 120 VAL A O   1 
ATOM   958  C  CB  . VAL A 1 120 ? 30.965 -6.601  6.863   1.00 23.97 ? 120 VAL A CB  1 
ATOM   959  C  CG1 . VAL A 1 120 ? 31.542 -5.358  6.231   1.00 25.72 ? 120 VAL A CG1 1 
ATOM   960  C  CG2 . VAL A 1 120 ? 31.286 -7.845  6.053   1.00 24.24 ? 120 VAL A CG2 1 
ATOM   961  N  N   . GLN A 1 121 ? 31.097 -8.873  9.496   1.00 27.77 ? 121 GLN A N   1 
ATOM   962  C  CA  . GLN A 1 121 ? 30.330 -9.863  10.244  1.00 29.11 ? 121 GLN A CA  1 
ATOM   963  C  C   . GLN A 1 121 ? 29.943 -9.313  11.615  1.00 26.15 ? 121 GLN A C   1 
ATOM   964  O  O   . GLN A 1 121 ? 28.971 -9.741  12.214  1.00 26.70 ? 121 GLN A O   1 
ATOM   965  C  CB  . GLN A 1 121 ? 31.078 -11.183 10.456  1.00 34.77 ? 121 GLN A CB  1 
ATOM   966  C  CG  . GLN A 1 121 ? 31.433 -11.921 9.171   1.00 43.17 ? 121 GLN A CG  1 
ATOM   967  C  CD  . GLN A 1 121 ? 32.906 -11.873 8.817   1.00 50.29 ? 121 GLN A CD  1 
ATOM   968  O  OE1 . GLN A 1 121 ? 33.640 -12.856 9.012   1.00 49.77 ? 121 GLN A OE1 1 
ATOM   969  N  NE2 . GLN A 1 121 ? 33.346 -10.726 8.301   1.00 46.48 ? 121 GLN A NE2 1 
ATOM   970  N  N   . ALA A 1 122 ? 30.699 -8.350  12.124  1.00 27.54 ? 122 ALA A N   1 
ATOM   971  C  CA  . ALA A 1 122 ? 30.351 -7.698  13.371  1.00 27.47 ? 122 ALA A CA  1 
ATOM   972  C  C   . ALA A 1 122 ? 28.923 -7.149  13.323  1.00 28.85 ? 122 ALA A C   1 
ATOM   973  O  O   . ALA A 1 122 ? 28.280 -7.078  14.356  1.00 23.99 ? 122 ALA A O   1 
ATOM   974  C  CB  . ALA A 1 122 ? 31.349 -6.602  13.688  1.00 30.76 ? 122 ALA A CB  1 
ATOM   975  N  N   . TRP A 1 123 ? 28.415 -6.766  12.125  1.00 27.08 ? 123 TRP A N   1 
ATOM   976  C  CA  . TRP A 1 123 ? 27.091 -6.171  12.023  1.00 25.29 ? 123 TRP A CA  1 
ATOM   977  C  C   . TRP A 1 123 ? 25.959 -7.166  12.255  1.00 22.86 ? 123 TRP A C   1 
ATOM   978  O  O   . TRP A 1 123 ? 24.845 -6.753  12.507  1.00 25.84 ? 123 TRP A O   1 
ATOM   979  C  CB  . TRP A 1 123 ? 26.924 -5.513  10.648  1.00 24.40 ? 123 TRP A CB  1 
ATOM   980  C  CG  . TRP A 1 123 ? 27.734 -4.256  10.585  1.00 23.31 ? 123 TRP A CG  1 
ATOM   981  C  CD1 . TRP A 1 123 ? 28.967 -4.079  10.049  1.00 26.58 ? 123 TRP A CD1 1 
ATOM   982  C  CD2 . TRP A 1 123 ? 27.376 -3.013  11.195  1.00 24.95 ? 123 TRP A CD2 1 
ATOM   983  N  NE1 . TRP A 1 123 ? 29.372 -2.782  10.211  1.00 25.43 ? 123 TRP A NE1 1 
ATOM   984  C  CE2 . TRP A 1 123 ? 28.430 -2.115  10.934  1.00 25.67 ? 123 TRP A CE2 1 
ATOM   985  C  CE3 . TRP A 1 123 ? 26.265 -2.578  11.929  1.00 27.60 ? 123 TRP A CE3 1 
ATOM   986  C  CZ2 . TRP A 1 123 ? 28.400 -0.802  11.378  1.00 28.04 ? 123 TRP A CZ2 1 
ATOM   987  C  CZ3 . TRP A 1 123 ? 26.252 -1.285  12.398  1.00 28.96 ? 123 TRP A CZ3 1 
ATOM   988  C  CH2 . TRP A 1 123 ? 27.316 -0.419  12.128  1.00 29.59 ? 123 TRP A CH2 1 
ATOM   989  N  N   . ILE A 1 124 ? 26.223 -8.461  12.117  1.00 24.14 ? 124 ILE A N   1 
ATOM   990  C  CA  . ILE A 1 124 ? 25.194 -9.451  12.389  1.00 26.44 ? 124 ILE A CA  1 
ATOM   991  C  C   . ILE A 1 124 ? 25.508 -10.268 13.655  1.00 28.65 ? 124 ILE A C   1 
ATOM   992  O  O   . ILE A 1 124 ? 24.766 -11.186 13.966  1.00 26.29 ? 124 ILE A O   1 
ATOM   993  C  CB  . ILE A 1 124 ? 24.976 -10.334 11.145  1.00 29.51 ? 124 ILE A CB  1 
ATOM   994  C  CG1 . ILE A 1 124 ? 26.213 -11.131 10.755  1.00 34.40 ? 124 ILE A CG1 1 
ATOM   995  C  CG2 . ILE A 1 124 ? 24.471 -9.482  9.966   1.00 27.17 ? 124 ILE A CG2 1 
ATOM   996  C  CD1 . ILE A 1 124 ? 25.909 -12.323 9.853   1.00 37.92 ? 124 ILE A CD1 1 
ATOM   997  N  N   . ARG A 1 125 ? 26.562 -9.898  14.391  1.00 27.61 ? 125 ARG A N   1 
ATOM   998  C  CA  . ARG A 1 125 ? 26.971 -10.596 15.607  1.00 34.49 ? 125 ARG A CA  1 
ATOM   999  C  C   . ARG A 1 125 ? 25.857 -10.505 16.650  1.00 29.76 ? 125 ARG A C   1 
ATOM   1000 O  O   . ARG A 1 125 ? 25.265 -9.455  16.862  1.00 27.57 ? 125 ARG A O   1 
ATOM   1001 C  CB  . ARG A 1 125 ? 28.294 -10.065 16.173  1.00 37.41 ? 125 ARG A CB  1 
ATOM   1002 C  CG  . ARG A 1 125 ? 29.220 -11.154 16.699  1.00 53.45 ? 125 ARG A CG  1 
ATOM   1003 C  CD  . ARG A 1 125 ? 30.586 -10.699 17.257  1.00 60.16 ? 125 ARG A CD  1 
ATOM   1004 N  NE  . ARG A 1 125 ? 31.549 -10.140 16.293  1.00 69.57 ? 125 ARG A NE  1 
ATOM   1005 C  CZ  . ARG A 1 125 ? 31.971 -10.686 15.143  1.00 70.56 ? 125 ARG A CZ  1 
ATOM   1006 N  NH1 . ARG A 1 125 ? 31.438 -11.809 14.687  1.00 65.73 ? 125 ARG A NH1 1 
ATOM   1007 N  NH2 . ARG A 1 125 ? 32.915 -10.083 14.432  1.00 69.47 ? 125 ARG A NH2 1 
ATOM   1008 N  N   . GLY A 1 126 ? 25.527 -11.643 17.262  1.00 32.44 ? 126 GLY A N   1 
ATOM   1009 C  CA  . GLY A 1 126 ? 24.540 -11.655 18.325  1.00 32.48 ? 126 GLY A CA  1 
ATOM   1010 C  C   . GLY A 1 126 ? 23.112 -11.818 17.804  1.00 35.00 ? 126 GLY A C   1 
ATOM   1011 O  O   . GLY A 1 126 ? 22.217 -12.093 18.602  1.00 37.17 ? 126 GLY A O   1 
ATOM   1012 N  N   . CYS A 1 127 ? 22.890 -11.690 16.479  1.00 32.14 ? 127 CYS A N   1 
ATOM   1013 C  CA  . CYS A 1 127 ? 21.542 -11.798 15.935  1.00 29.39 ? 127 CYS A CA  1 
ATOM   1014 C  C   . CYS A 1 127 ? 21.125 -13.247 15.733  1.00 33.30 ? 127 CYS A C   1 
ATOM   1015 O  O   . CYS A 1 127 ? 21.886 -14.070 15.211  1.00 31.25 ? 127 CYS A O   1 
ATOM   1016 C  CB  . CYS A 1 127 ? 21.405 -11.127 14.576  1.00 28.04 ? 127 CYS A CB  1 
ATOM   1017 S  SG  . CYS A 1 127 ? 22.004 -9.425  14.634  1.00 28.34 ? 127 CYS A SG  1 
ATOM   1018 N  N   . ARG A 1 128 ? 19.853 -13.504 16.025  1.00 35.43 ? 128 ARG A N   1 
ATOM   1019 C  CA  . ARG A 1 128 ? 19.263 -14.803 15.766  1.00 43.73 ? 128 ARG A CA  1 
ATOM   1020 C  C   . ARG A 1 128 ? 18.843 -14.841 14.301  1.00 45.13 ? 128 ARG A C   1 
ATOM   1021 O  O   . ARG A 1 128 ? 17.924 -14.129 13.912  1.00 48.92 ? 128 ARG A O   1 
ATOM   1022 C  CB  . ARG A 1 128 ? 18.127 -14.998 16.780  1.00 49.41 ? 128 ARG A CB  1 
ATOM   1023 C  CG  . ARG A 1 128 ? 17.848 -16.447 17.142  1.00 55.43 ? 128 ARG A CG  1 
ATOM   1024 C  CD  . ARG A 1 128 ? 16.735 -16.539 18.171  1.00 58.66 ? 128 ARG A CD  1 
ATOM   1025 N  NE  . ARG A 1 128 ? 17.074 -15.908 19.453  1.00 64.96 ? 128 ARG A NE  1 
ATOM   1026 C  CZ  . ARG A 1 128 ? 16.338 -15.029 20.135  1.00 70.88 ? 128 ARG A CZ  1 
ATOM   1027 N  NH1 . ARG A 1 128 ? 15.172 -14.608 19.675  1.00 71.53 ? 128 ARG A NH1 1 
ATOM   1028 N  NH2 . ARG A 1 128 ? 16.775 -14.570 21.297  1.00 75.70 ? 128 ARG A NH2 1 
ATOM   1029 N  N   . LEU A 1 129 ? 19.552 -15.643 13.496  1.00 49.36 ? 129 LEU A N   1 
ATOM   1030 C  CA  . LEU A 1 129 ? 19.336 -15.737 12.055  1.00 53.78 ? 129 LEU A CA  1 
ATOM   1031 C  C   . LEU A 1 129 ? 19.150 -17.220 11.658  1.00 62.42 ? 129 LEU A C   1 
ATOM   1032 O  O   . LEU A 1 129 ? 18.659 -17.470 10.522  1.00 58.07 ? 129 LEU A O   1 
ATOM   1033 C  CB  . LEU A 1 129 ? 20.506 -15.116 11.295  1.00 48.49 ? 129 LEU A CB  1 
ATOM   1034 C  CG  . LEU A 1 129 ? 20.721 -13.610 11.464  1.00 50.68 ? 129 LEU A CG  1 
ATOM   1035 C  CD1 . LEU A 1 129 ? 22.054 -13.252 10.838  1.00 51.02 ? 129 LEU A CD1 1 
ATOM   1036 C  CD2 . LEU A 1 129 ? 19.597 -12.778 10.862  1.00 52.03 ? 129 LEU A CD2 1 
ATOM   1037 O  OXT . LEU A 1 129 ? 19.530 -18.081 12.490  1.00 68.76 ? 129 LEU A OXT 1 
HETATM 1038 NA NA  . NA  B 2 .   ? 14.563 7.911   -12.784 1.00 26.68 ? 201 NA  A NA  1 
HETATM 1039 CL CL  . CL  C 3 .   ? 31.400 -8.163  -7.116  1.00 29.03 ? 202 CL  A CL  1 
HETATM 1040 C  C1  . PEG D 4 .   ? 29.904 -3.268  14.285  1.00 60.05 ? 203 PEG A C1  1 
HETATM 1041 O  O1  . PEG D 4 .   ? 31.103 -2.530  14.137  1.00 63.56 ? 203 PEG A O1  1 
HETATM 1042 C  C2  . PEG D 4 .   ? 28.980 -2.622  15.262  1.00 57.86 ? 203 PEG A C2  1 
HETATM 1043 O  O2  . PEG D 4 .   ? 27.728 -3.299  15.275  1.00 58.43 ? 203 PEG A O2  1 
HETATM 1044 C  C3  . PEG D 4 .   ? 27.722 -4.481  16.071  1.00 64.93 ? 203 PEG A C3  1 
HETATM 1045 C  C4  . PEG D 4 .   ? 27.337 -4.150  17.479  1.00 67.47 ? 203 PEG A C4  1 
HETATM 1046 O  O4  . PEG D 4 .   ? 26.775 -2.857  17.585  1.00 74.71 ? 203 PEG A O4  1 
HETATM 1047 O  O   . HOH E 5 .   ? 26.440 -14.272 5.157   1.00 48.52 ? 301 HOH A O   1 
HETATM 1048 O  O   . HOH E 5 .   ? 29.896 -12.565 13.047  1.00 54.08 ? 302 HOH A O   1 
HETATM 1049 O  O   . HOH E 5 .   ? 26.054 0.120   -10.574 1.00 35.64 ? 303 HOH A O   1 
HETATM 1050 O  O   . HOH E 5 .   ? 13.631 1.636   2.257   1.00 30.79 ? 304 HOH A O   1 
HETATM 1051 O  O   . HOH E 5 .   ? 14.308 -10.703 -5.287  1.00 45.96 ? 305 HOH A O   1 
HETATM 1052 O  O   . HOH E 5 .   ? 26.978 -2.069  -9.136  1.00 32.00 ? 306 HOH A O   1 
HETATM 1053 O  O   . HOH E 5 .   ? 28.246 -6.802  -10.178 1.00 28.32 ? 307 HOH A O   1 
HETATM 1054 O  O   . HOH E 5 .   ? 11.970 -0.169  2.330   1.00 33.46 ? 308 HOH A O   1 
HETATM 1055 O  O   . HOH E 5 .   ? 13.298 11.614  4.072   1.00 20.70 ? 309 HOH A O   1 
HETATM 1056 O  O   . HOH E 5 .   ? 23.996 9.508   -4.431  1.00 49.49 ? 310 HOH A O   1 
HETATM 1057 O  O   . HOH E 5 .   ? 24.528 7.474   -0.732  1.00 34.60 ? 311 HOH A O   1 
HETATM 1058 O  O   . HOH E 5 .   ? 35.373 5.434   -2.506  1.00 35.17 ? 312 HOH A O   1 
HETATM 1059 O  O   . HOH E 5 .   ? 13.004 -8.787  10.565  1.00 41.05 ? 313 HOH A O   1 
HETATM 1060 O  O   . HOH E 5 .   ? 10.934 5.822   9.536   1.00 22.07 ? 314 HOH A O   1 
HETATM 1061 O  O   . HOH E 5 .   ? 17.990 1.183   14.907  1.00 31.10 ? 315 HOH A O   1 
HETATM 1062 O  O   . HOH E 5 .   ? 12.986 -4.007  -8.960  1.00 39.30 ? 316 HOH A O   1 
HETATM 1063 O  O   . HOH E 5 .   ? 33.244 -6.139  2.375   1.00 35.36 ? 317 HOH A O   1 
HETATM 1064 O  O   . HOH E 5 .   ? 15.724 -8.153  -8.665  1.00 40.26 ? 318 HOH A O   1 
HETATM 1065 O  O   . HOH E 5 .   ? 33.517 1.740   9.275   1.00 35.15 ? 319 HOH A O   1 
HETATM 1066 O  O   . HOH E 5 .   ? 4.209  4.674   -3.289  1.00 52.50 ? 320 HOH A O   1 
HETATM 1067 O  O   . HOH E 5 .   ? 14.981 13.853  -7.694  1.00 21.89 ? 321 HOH A O   1 
HETATM 1068 O  O   . HOH E 5 .   ? 35.039 -6.754  4.390   1.00 44.03 ? 322 HOH A O   1 
HETATM 1069 O  O   . HOH E 5 .   ? 8.167  16.848  -11.362 1.00 42.85 ? 323 HOH A O   1 
HETATM 1070 O  O   . HOH E 5 .   ? 16.301 -15.832 12.635  1.00 53.13 ? 324 HOH A O   1 
HETATM 1071 O  O   . HOH E 5 .   ? 35.956 0.976   3.967   1.00 27.24 ? 325 HOH A O   1 
HETATM 1072 O  O   . HOH E 5 .   ? 9.681  -15.395 3.535   1.00 43.68 ? 326 HOH A O   1 
HETATM 1073 O  O   . HOH E 5 .   ? 7.334  3.398   8.164   1.00 36.27 ? 327 HOH A O   1 
HETATM 1074 O  O   . HOH E 5 .   ? 22.544 9.187   0.320   1.00 31.48 ? 328 HOH A O   1 
HETATM 1075 O  O   . HOH E 5 .   ? 21.296 3.740   -6.597  1.00 23.45 ? 329 HOH A O   1 
HETATM 1076 O  O   . HOH E 5 .   ? 37.882 0.365   -2.994  1.00 37.02 ? 330 HOH A O   1 
HETATM 1077 O  O   . HOH E 5 .   ? 25.795 7.816   3.574   1.00 35.04 ? 331 HOH A O   1 
HETATM 1078 O  O   . HOH E 5 .   ? 24.386 -13.872 13.948  1.00 40.92 ? 332 HOH A O   1 
HETATM 1079 O  O   . HOH E 5 .   ? 8.447  -3.062  -0.660  1.00 30.08 ? 333 HOH A O   1 
HETATM 1080 O  O   . HOH E 5 .   ? 26.032 5.530   -3.722  1.00 30.56 ? 334 HOH A O   1 
HETATM 1081 O  O   . HOH E 5 .   ? 11.847 -1.376  14.382  1.00 43.30 ? 335 HOH A O   1 
HETATM 1082 O  O   . HOH E 5 .   ? 19.676 -14.665 2.206   1.00 31.14 ? 336 HOH A O   1 
HETATM 1083 O  O   . HOH E 5 .   ? 31.734 -14.389 -1.552  1.00 40.25 ? 337 HOH A O   1 
HETATM 1084 O  O   . HOH E 5 .   ? 7.846  4.154   5.625   1.00 38.90 ? 338 HOH A O   1 
HETATM 1085 O  O   . HOH E 5 .   ? 32.101 -2.614  9.744   1.00 31.29 ? 339 HOH A O   1 
HETATM 1086 O  O   . HOH E 5 .   ? 13.202 9.839   -11.936 1.00 23.22 ? 340 HOH A O   1 
HETATM 1087 O  O   . HOH E 5 .   ? 24.015 -14.702 -6.051  1.00 36.59 ? 341 HOH A O   1 
HETATM 1088 O  O   . HOH E 5 .   ? 10.292 2.739   13.379  1.00 33.32 ? 342 HOH A O   1 
HETATM 1089 O  O   . HOH E 5 .   ? 26.937 -13.931 16.433  1.00 43.70 ? 343 HOH A O   1 
HETATM 1090 O  O   . HOH E 5 .   ? 16.501 1.761   -0.617  1.00 21.74 ? 344 HOH A O   1 
HETATM 1091 O  O   . HOH E 5 .   ? 6.983  -0.776  -1.793  1.00 33.07 ? 345 HOH A O   1 
HETATM 1092 O  O   . HOH E 5 .   ? 22.890 11.360  -1.291  1.00 45.11 ? 346 HOH A O   1 
HETATM 1093 O  O   . HOH E 5 .   ? 23.535 8.748   3.144   1.00 47.59 ? 347 HOH A O   1 
HETATM 1094 O  O   . HOH E 5 .   ? 12.064 -3.195  -6.917  1.00 38.22 ? 348 HOH A O   1 
HETATM 1095 O  O   . HOH E 5 .   ? 10.699 -9.049  6.790   1.00 50.29 ? 349 HOH A O   1 
HETATM 1096 O  O   . HOH E 5 .   ? 7.607  3.186   -12.491 1.00 38.02 ? 350 HOH A O   1 
HETATM 1097 O  O   . HOH E 5 .   ? 9.183  -4.347  8.285   1.00 46.84 ? 351 HOH A O   1 
HETATM 1098 O  O   . HOH E 5 .   ? 30.542 -16.492 -2.102  1.00 49.36 ? 352 HOH A O   1 
HETATM 1099 O  O   . HOH E 5 .   ? 17.800 8.407   8.310   1.00 25.56 ? 353 HOH A O   1 
HETATM 1100 O  O   . HOH E 5 .   ? 6.119  10.164  -12.249 1.00 31.78 ? 354 HOH A O   1 
HETATM 1101 O  O   . HOH E 5 .   ? 23.611 10.907  -9.356  1.00 41.21 ? 355 HOH A O   1 
HETATM 1102 O  O   . HOH E 5 .   ? 14.629 14.629  0.000   0.50 41.70 ? 356 HOH A O   1 
HETATM 1103 O  O   . HOH E 5 .   ? 18.729 16.239  0.791   1.00 33.27 ? 357 HOH A O   1 
HETATM 1104 O  O   . HOH E 5 .   ? 11.174 -1.085  -0.172  1.00 26.11 ? 358 HOH A O   1 
HETATM 1105 O  O   . HOH E 5 .   ? 14.605 3.134   -18.015 1.00 36.90 ? 359 HOH A O   1 
HETATM 1106 O  O   . HOH E 5 .   ? 17.995 15.562  -13.794 1.00 50.28 ? 360 HOH A O   1 
HETATM 1107 O  O   . HOH E 5 .   ? 12.596 7.669   -14.249 1.00 30.41 ? 361 HOH A O   1 
HETATM 1108 O  O   . HOH E 5 .   ? 24.520 5.953   10.499  1.00 46.05 ? 362 HOH A O   1 
HETATM 1109 O  O   . HOH E 5 .   ? 17.688 19.996  -7.589  1.00 48.62 ? 363 HOH A O   1 
HETATM 1110 O  O   . HOH E 5 .   ? 27.948 7.837   11.136  1.00 26.67 ? 364 HOH A O   1 
HETATM 1111 O  O   . HOH E 5 .   ? 28.619 -11.095 7.267   1.00 21.38 ? 365 HOH A O   1 
HETATM 1112 O  O   . HOH E 5 .   ? 36.925 -3.939  11.172  1.00 42.33 ? 366 HOH A O   1 
HETATM 1113 O  O   . HOH E 5 .   ? 7.478  -2.978  12.560  1.00 46.43 ? 367 HOH A O   1 
HETATM 1114 O  O   . HOH E 5 .   ? 19.238 3.493   13.785  1.00 32.67 ? 368 HOH A O   1 
HETATM 1115 O  O   . HOH E 5 .   ? 5.217  1.666   4.644   1.00 37.63 ? 369 HOH A O   1 
HETATM 1116 O  O   . HOH E 5 .   ? 31.546 -10.588 -4.627  1.00 29.91 ? 370 HOH A O   1 
HETATM 1117 O  O   . HOH E 5 .   ? 12.823 12.823  -19.050 0.50 35.76 ? 371 HOH A O   1 
HETATM 1118 O  O   . HOH E 5 .   ? 9.252  4.953   -15.811 1.00 41.12 ? 372 HOH A O   1 
HETATM 1119 O  O   . HOH E 5 .   ? 32.842 -9.283  3.331   1.00 38.53 ? 373 HOH A O   1 
HETATM 1120 O  O   . HOH E 5 .   ? 19.040 -5.384  16.984  1.00 36.92 ? 374 HOH A O   1 
HETATM 1121 O  O   . HOH E 5 .   ? 36.148 -0.356  -6.507  1.00 44.85 ? 375 HOH A O   1 
HETATM 1122 O  O   . HOH E 5 .   ? 32.795 4.365   9.710   1.00 24.99 ? 376 HOH A O   1 
HETATM 1123 O  O   . HOH E 5 .   ? 11.866 -6.918  -9.504  1.00 57.14 ? 377 HOH A O   1 
HETATM 1124 O  O   . HOH E 5 .   ? 11.890 11.605  -14.009 1.00 22.47 ? 378 HOH A O   1 
HETATM 1125 O  O   . HOH E 5 .   ? 10.277 18.892  -6.528  1.00 29.77 ? 379 HOH A O   1 
HETATM 1126 O  O   . HOH E 5 .   ? 25.405 14.686  -4.408  1.00 47.76 ? 380 HOH A O   1 
HETATM 1127 O  O   . HOH E 5 .   ? 23.942 4.307   -9.408  1.00 37.19 ? 381 HOH A O   1 
HETATM 1128 O  O   . HOH E 5 .   ? 16.611 -5.548  16.236  1.00 28.93 ? 382 HOH A O   1 
HETATM 1129 O  O   . HOH E 5 .   ? 10.429 -6.068  5.347   1.00 35.42 ? 383 HOH A O   1 
HETATM 1130 O  O   . HOH E 5 .   ? 18.283 -11.106 17.486  1.00 43.80 ? 384 HOH A O   1 
HETATM 1131 O  O   . HOH E 5 .   ? 9.927  -10.439 -3.928  1.00 49.37 ? 385 HOH A O   1 
HETATM 1132 O  O   . HOH E 5 .   ? 6.458  5.309   -11.960 1.00 42.35 ? 386 HOH A O   1 
HETATM 1133 O  O   . HOH E 5 .   ? 22.749 2.951   -4.981  1.00 44.24 ? 387 HOH A O   1 
HETATM 1134 O  O   . HOH E 5 .   ? 16.885 2.658   -20.811 1.00 55.70 ? 388 HOH A O   1 
HETATM 1135 O  O   . HOH E 5 .   ? 24.274 1.660   -14.222 1.00 47.00 ? 389 HOH A O   1 
HETATM 1136 O  O   . HOH E 5 .   ? 13.550 -8.170  -12.963 1.00 53.36 ? 390 HOH A O   1 
HETATM 1137 O  O   . HOH E 5 .   ? 23.388 -0.464  -15.398 1.00 54.38 ? 391 HOH A O   1 
HETATM 1138 O  O   . HOH E 5 .   ? 39.083 -3.565  0.992   1.00 44.22 ? 392 HOH A O   1 
HETATM 1139 O  O   . HOH E 5 .   ? 9.712  -4.816  -6.445  1.00 49.92 ? 393 HOH A O   1 
HETATM 1140 O  O   . HOH E 5 .   ? 25.323 3.548   -13.417 1.00 50.20 ? 394 HOH A O   1 
HETATM 1141 O  O   . HOH E 5 .   ? 12.253 -12.253 9.525   0.50 48.30 ? 395 HOH A O   1 
HETATM 1142 O  O   . HOH E 5 .   ? 23.401 -0.410  15.097  1.00 40.08 ? 396 HOH A O   1 
HETATM 1143 O  O   . HOH E 5 .   ? 38.906 -0.501  -0.727  1.00 46.43 ? 397 HOH A O   1 
HETATM 1144 O  O   . HOH E 5 .   ? 18.703 9.805   10.740  1.00 47.48 ? 398 HOH A O   1 
HETATM 1145 O  O   . HOH E 5 .   ? 21.515 -21.515 9.525   0.50 50.24 ? 399 HOH A O   1 
HETATM 1146 O  O   . HOH E 5 .   ? 19.959 -17.652 2.769   1.00 44.38 ? 400 HOH A O   1 
HETATM 1147 O  O   . HOH E 5 .   ? 2.290  -1.429  4.480   1.00 49.06 ? 401 HOH A O   1 
HETATM 1148 O  O   . HOH E 5 .   ? 23.452 2.000   -16.362 1.00 50.95 ? 402 HOH A O   1 
HETATM 1149 O  O   . HOH E 5 .   ? 30.259 -11.999 20.420  1.00 54.99 ? 403 HOH A O   1 
HETATM 1150 O  O   . HOH E 5 .   ? 9.856  9.856   -19.050 0.50 56.35 ? 404 HOH A O   1 
# 
