data_9ORW
# 
_entry.id   9ORW 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.404 
_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   9ORW         pdb_00009orw 10.2210/pdb9orw/pdb 
WWPDB D_1000296200 ?            ?                   
# 
_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       2025-06-18 
_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                        9ORW 
_pdbx_database_status.recvd_initial_deposition_date   2025-05-23 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        
;XRD structure of the same protein co-crystallized with N,N',N"-triacetylchitotriose
;
_pdbx_database_related.db_id          9ORV 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              jrodriguez@mbi.ucla.edu 
_pdbx_contact_author.name_first         Jose 
_pdbx_contact_author.name_last          Rodriguez 
_pdbx_contact_author.name_mi            A 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-0248-4964 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Flowers, C.W.'   1 ? 
'Vlahakis, N.W.'  2 ? 
'Rodriguez, J.A.' 3 ? 
# 
_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                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Vlahakis, N.W.'  1  ? 
primary 'Flowers, C.W.'   2  ? 
primary 'Liu, M.'         3  ? 
primary 'Agdanowski, M.'  4  ? 
primary 'Johnson, S.'     5  ? 
primary 'Summers, J.A.'   6  ? 
primary 'Jacobs, L.M.C.'  7  ? 
primary 'Keyser, C.'      8  ? 
primary 'Russell, P.'     9  ? 
primary 'Rose, S.'        10 ? 
primary 'Orlans, J.'      11 ? 
primary 'Adhami, N.'      12 ? 
primary 'Chen, Y.'        13 ? 
primary 'Sawaya, M.R.'    14 ? 
primary 'Basu, S.'        15 ? 
primary 'De Sanctis, D.'  16 ? 
primary 'Chen, Y.'        17 ? 
primary 'Wakatsuki, S.'   18 ? 
primary 'Nelson, H.M.'    19 ? 
primary 'Loo, J.A.'       20 ? 
primary 'Tang, Y.'        21 ? 
primary 'Rodriguez, J.A.' 22 ? 
# 
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 ? lyzozyme ? 
2 non-polymer syn 'CHLORIDE ION' 35.453    2   ?        ? ?        ? 
3 non-polymer nat 'SODIUM ION'   22.990    1   ?        ? ?        ? 
4 water       nat water          18.015    110 ?        ? ?        ? 
# 
_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 'CHLORIDE ION' CL  
3 'SODIUM ION'   NA  
4 water          HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   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  
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 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 CL  1   201 1   CL  CL  A . 
C 2 CL  1   202 2   CL  CL  A . 
D 3 NA  1   203 1   NA  NA  A . 
E 4 HOH 1   301 67  HOH HOH A . 
E 4 HOH 2   302 107 HOH HOH A . 
E 4 HOH 3   303 114 HOH HOH A . 
E 4 HOH 4   304 78  HOH HOH A . 
E 4 HOH 5   305 123 HOH HOH A . 
E 4 HOH 6   306 83  HOH HOH A . 
E 4 HOH 7   307 50  HOH HOH A . 
E 4 HOH 8   308 109 HOH HOH A . 
E 4 HOH 9   309 81  HOH HOH A . 
E 4 HOH 10  310 115 HOH HOH A . 
E 4 HOH 11  311 94  HOH HOH A . 
E 4 HOH 12  312 112 HOH HOH A . 
E 4 HOH 13  313 77  HOH HOH A . 
E 4 HOH 14  314 71  HOH HOH A . 
E 4 HOH 15  315 11  HOH HOH A . 
E 4 HOH 16  316 63  HOH HOH A . 
E 4 HOH 17  317 72  HOH HOH A . 
E 4 HOH 18  318 95  HOH HOH A . 
E 4 HOH 19  319 65  HOH HOH A . 
E 4 HOH 20  320 44  HOH HOH A . 
E 4 HOH 21  321 43  HOH HOH A . 
E 4 HOH 22  322 105 HOH HOH A . 
E 4 HOH 23  323 61  HOH HOH A . 
E 4 HOH 24  324 53  HOH HOH A . 
E 4 HOH 25  325 3   HOH HOH A . 
E 4 HOH 26  326 5   HOH HOH A . 
E 4 HOH 27  327 24  HOH HOH A . 
E 4 HOH 28  328 73  HOH HOH A . 
E 4 HOH 29  329 122 HOH HOH A . 
E 4 HOH 30  330 36  HOH HOH A . 
E 4 HOH 31  331 14  HOH HOH A . 
E 4 HOH 32  332 13  HOH HOH A . 
E 4 HOH 33  333 26  HOH HOH A . 
E 4 HOH 34  334 66  HOH HOH A . 
E 4 HOH 35  335 27  HOH HOH A . 
E 4 HOH 36  336 82  HOH HOH A . 
E 4 HOH 37  337 35  HOH HOH A . 
E 4 HOH 38  338 39  HOH HOH A . 
E 4 HOH 39  339 38  HOH HOH A . 
E 4 HOH 40  340 6   HOH HOH A . 
E 4 HOH 41  341 30  HOH HOH A . 
E 4 HOH 42  342 32  HOH HOH A . 
E 4 HOH 43  343 46  HOH HOH A . 
E 4 HOH 44  344 74  HOH HOH A . 
E 4 HOH 45  345 20  HOH HOH A . 
E 4 HOH 46  346 25  HOH HOH A . 
E 4 HOH 47  347 21  HOH HOH A . 
E 4 HOH 48  348 15  HOH HOH A . 
E 4 HOH 49  349 90  HOH HOH A . 
E 4 HOH 50  350 48  HOH HOH A . 
E 4 HOH 51  351 70  HOH HOH A . 
E 4 HOH 52  352 124 HOH HOH A . 
E 4 HOH 53  353 40  HOH HOH A . 
E 4 HOH 54  354 106 HOH HOH A . 
E 4 HOH 55  355 12  HOH HOH A . 
E 4 HOH 56  356 23  HOH HOH A . 
E 4 HOH 57  357 110 HOH HOH A . 
E 4 HOH 58  358 8   HOH HOH A . 
E 4 HOH 59  359 93  HOH HOH A . 
E 4 HOH 60  360 57  HOH HOH A . 
E 4 HOH 61  361 59  HOH HOH A . 
E 4 HOH 62  362 84  HOH HOH A . 
E 4 HOH 63  363 18  HOH HOH A . 
E 4 HOH 64  364 52  HOH HOH A . 
E 4 HOH 65  365 33  HOH HOH A . 
E 4 HOH 66  366 85  HOH HOH A . 
E 4 HOH 67  367 60  HOH HOH A . 
E 4 HOH 68  368 69  HOH HOH A . 
E 4 HOH 69  369 103 HOH HOH A . 
E 4 HOH 70  370 58  HOH HOH A . 
E 4 HOH 71  371 42  HOH HOH A . 
E 4 HOH 72  372 31  HOH HOH A . 
E 4 HOH 73  373 29  HOH HOH A . 
E 4 HOH 74  374 76  HOH HOH A . 
E 4 HOH 75  375 80  HOH HOH A . 
E 4 HOH 76  376 91  HOH HOH A . 
E 4 HOH 77  377 68  HOH HOH A . 
E 4 HOH 78  378 7   HOH HOH A . 
E 4 HOH 79  379 10  HOH HOH A . 
E 4 HOH 80  380 120 HOH HOH A . 
E 4 HOH 81  381 54  HOH HOH A . 
E 4 HOH 82  382 37  HOH HOH A . 
E 4 HOH 83  383 19  HOH HOH A . 
E 4 HOH 84  384 116 HOH HOH A . 
E 4 HOH 85  385 4   HOH HOH A . 
E 4 HOH 86  386 45  HOH HOH A . 
E 4 HOH 87  387 51  HOH HOH A . 
E 4 HOH 88  388 102 HOH HOH A . 
E 4 HOH 89  389 99  HOH HOH A . 
E 4 HOH 90  390 86  HOH HOH A . 
E 4 HOH 91  391 111 HOH HOH A . 
E 4 HOH 92  392 113 HOH HOH A . 
E 4 HOH 93  393 97  HOH HOH A . 
E 4 HOH 94  394 121 HOH HOH A . 
E 4 HOH 95  395 98  HOH HOH A . 
E 4 HOH 96  396 108 HOH HOH A . 
E 4 HOH 97  397 22  HOH HOH A . 
E 4 HOH 98  398 62  HOH HOH A . 
E 4 HOH 99  399 16  HOH HOH A . 
E 4 HOH 100 400 34  HOH HOH A . 
E 4 HOH 101 401 119 HOH HOH A . 
E 4 HOH 102 402 49  HOH HOH A . 
E 4 HOH 103 403 89  HOH HOH A . 
E 4 HOH 104 404 64  HOH HOH A . 
E 4 HOH 105 405 100 HOH HOH A . 
E 4 HOH 106 406 41  HOH HOH A . 
E 4 HOH 107 407 96  HOH HOH A . 
E 4 HOH 108 408 87  HOH HOH A . 
E 4 HOH 109 409 118 HOH HOH A . 
E 4 HOH 110 410 88  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_reference_DOI 
_software.pdbx_ordinal 
? refinement        ? ? ? ? ? ? ? ? ? ? ? PHENIX      ? ? ? 1.20.1_4487 ? 1 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? XSCALE      ? ? ? .           ? 2 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? XDS         ? ? ? .           ? 3 
? phasing           ? ? ? ? ? ? ? ? ? ? ? PHASER      ? ? ? .           ? 4 
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? .           ? 5 
# 
_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                     9ORW 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     76.900 
_cell.length_a_esd                 ? 
_cell.length_b                     76.900 
_cell.length_b_esd                 ? 
_cell.length_c                     37.150 
_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                         9ORW 
_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                   9ORW 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             1.92 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          35.81 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_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    '800 mM NaCl, 80 mM sodium acetate pH 4.8' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     'IMAGE PLATE' 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         RIGAKU 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2025-05-19 
_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   1.5418 
_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                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU FR-E+' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.5418 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9ORW 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.5 
_reflns.d_resolution_low                               54.38 
_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                                     34094 
_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                                13.6 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          38.9 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_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                                   1.0 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.049 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.5 
_reflns_shell.d_res_low                                     1.6 
_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                             6013 
_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                               13.3 
_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                                  0.995 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.234 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9ORW 
_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                            1.50 
_refine.ls_d_res_low                             54.38 
_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                     18391 
_refine.ls_number_reflns_R_free                  920 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.97 
_refine.ls_percent_reflns_R_free                 5.00 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1836 
_refine.ls_R_factor_R_free                       0.2184 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1818 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.correlation_coeff_I_to_Fcsqd_work        ? 
_refine.correlation_coeff_I_to_Fcsqd_free        ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.36 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 20.58 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.15 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.50 
_refine_hist.d_res_low                        54.38 
_refine_hist.number_atoms_solvent             110 
_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        1001 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         3 
_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_Zscore 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.008 ? 1059 ? f_bond_d           ? ? ? 
'X-RAY DIFFRACTION' ? 1.023 ? 1438 ? f_angle_d          ? ? ? 
'X-RAY DIFFRACTION' ? 5.708 ? 152  ? f_dihedral_angle_d ? ? ? 
'X-RAY DIFFRACTION' ? 0.058 ? 150  ? f_chiral_restr     ? ? ? 
'X-RAY DIFFRACTION' ? 0.007 ? 190  ? f_plane_restr      ? ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.correlation_coeff_Fo_to_Fc 
_refine_ls_shell.correlation_coeff_Fo_to_Fc_free 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_work 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_free 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.50 1.58  . . 128 2435 100.00 . . . . 0.2008 . . . . . . . . . . . . . . . 0.2411 
'X-RAY DIFFRACTION' 1.58 1.68  . . 129 2449 100.00 . . . . 0.1877 . . . . . . . . . . . . . . . 0.2306 
'X-RAY DIFFRACTION' 1.68 1.81  . . 129 2453 100.00 . . . . 0.1974 . . . . . . . . . . . . . . . 0.2393 
'X-RAY DIFFRACTION' 1.81 1.99  . . 130 2473 100.00 . . . . 0.1787 . . . . . . . . . . . . . . . 0.2228 
'X-RAY DIFFRACTION' 1.99 2.28  . . 131 2480 100.00 . . . . 0.1793 . . . . . . . . . . . . . . . 0.2208 
'X-RAY DIFFRACTION' 2.28 2.87  . . 133 2530 100.00 . . . . 0.1884 . . . . . . . . . . . . . . . 0.2131 
'X-RAY DIFFRACTION' 2.87 54.38 . . 140 2651 100.00 . . . . 0.1735 . . . . . . . . . . . . . . . 0.2101 
# 
_struct.entry_id                     9ORW 
_struct.title                        'X-ray diffraction structure of apo-form lysozyme' 
_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        9ORW 
_struct_keywords.text            'Enzyme, hydrolase' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 3 ? 
E N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    LYSC_CHICK 
_struct_ref.pdbx_db_accession          P00698 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;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              9ORW 
_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_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,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 ? ? ? ? ? ? ? 2.035 ? ? 
disulf2 disulf ? ? A CYS 30 SG ? ? ? 1_555 A CYS 115 SG ? ? A CYS 30  A CYS 115 1_555 ? ? ? ? ? ? ? 2.080 ? ? 
disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 80  SG ? ? A CYS 64  A CYS 80  1_555 ? ? ? ? ? ? ? 2.050 ? ? 
disulf4 disulf ? ? A CYS 76 SG ? ? ? 1_555 A CYS 94  SG ? ? A CYS 76  A CYS 94  1_555 ? ? ? ? ? ? ? 2.036 ? ? 
metalc1 metalc ? ? A SER 60 O  ? ? ? 1_555 D NA  .   NA ? ? A SER 60  A NA  203 1_555 ? ? ? ? ? ? ? 2.173 ? ? 
metalc2 metalc ? ? A CYS 64 O  ? ? ? 1_555 D NA  .   NA ? ? A CYS 64  A NA  203 1_555 ? ? ? ? ? ? ? 2.651 ? ? 
metalc3 metalc ? ? A SER 72 OG ? ? ? 1_555 D NA  .   NA ? ? A SER 72  A NA  203 1_555 ? ? ? ? ? ? ? 2.401 ? ? 
metalc4 metalc ? ? A ARG 73 O  ? ? ? 1_555 D NA  .   NA ? ? A ARG 73  A NA  203 1_555 ? ? ? ? ? ? ? 2.473 ? ? 
metalc5 metalc ? ? D NA  .  NA ? ? ? 1_555 E HOH .   O  ? ? A NA  203 A HOH 334 1_555 ? ? ? ? ? ? ? 2.196 ? ? 
metalc6 metalc ? ? D NA  .  NA ? ? ? 1_555 E HOH .   O  ? ? A NA  203 A HOH 348 1_555 ? ? ? ? ? ? ? 2.271 ? ? 
# 
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 ? D NA . ? A NA 203 ? 1_555 O  ? A CYS 64 ? A CYS 64  ? 1_555 84.2  ? 
2  O  ? A SER 60 ? A SER 60  ? 1_555 NA ? D NA . ? A NA 203 ? 1_555 OG ? A SER 72 ? A SER 72  ? 1_555 96.5  ? 
3  O  ? A CYS 64 ? A CYS 64  ? 1_555 NA ? D NA . ? A NA 203 ? 1_555 OG ? A SER 72 ? A SER 72  ? 1_555 164.8 ? 
4  O  ? A SER 60 ? A SER 60  ? 1_555 NA ? D NA . ? A NA 203 ? 1_555 O  ? A ARG 73 ? A ARG 73  ? 1_555 103.4 ? 
5  O  ? A CYS 64 ? A CYS 64  ? 1_555 NA ? D NA . ? A NA 203 ? 1_555 O  ? A ARG 73 ? A ARG 73  ? 1_555 88.6  ? 
6  OG ? A SER 72 ? A SER 72  ? 1_555 NA ? D NA . ? A NA 203 ? 1_555 O  ? A ARG 73 ? A ARG 73  ? 1_555 106.0 ? 
7  O  ? A SER 60 ? A SER 60  ? 1_555 NA ? D NA . ? A NA 203 ? 1_555 O  ? E HOH .  ? A HOH 334 ? 1_555 169.0 ? 
8  O  ? A CYS 64 ? A CYS 64  ? 1_555 NA ? D NA . ? A NA 203 ? 1_555 O  ? E HOH .  ? A HOH 334 ? 1_555 103.7 ? 
9  OG ? A SER 72 ? A SER 72  ? 1_555 NA ? D NA . ? A NA 203 ? 1_555 O  ? E HOH .  ? A HOH 334 ? 1_555 73.9  ? 
10 O  ? A ARG 73 ? A ARG 73  ? 1_555 NA ? D NA . ? A NA 203 ? 1_555 O  ? E HOH .  ? A HOH 334 ? 1_555 84.7  ? 
11 O  ? A SER 60 ? A SER 60  ? 1_555 NA ? D NA . ? A NA 203 ? 1_555 O  ? E HOH .  ? A HOH 348 ? 1_555 90.2  ? 
12 O  ? A CYS 64 ? A CYS 64  ? 1_555 NA ? D NA . ? A NA 203 ? 1_555 O  ? E HOH .  ? A HOH 348 ? 1_555 83.4  ? 
13 OG ? A SER 72 ? A SER 72  ? 1_555 NA ? D NA . ? A NA 203 ? 1_555 O  ? E HOH .  ? A HOH 348 ? 1_555 81.4  ? 
14 O  ? A ARG 73 ? A ARG 73  ? 1_555 NA ? D NA . ? A NA 203 ? 1_555 O  ? E HOH .  ? A HOH 348 ? 1_555 163.4 ? 
15 O  ? E HOH .  ? A HOH 334 ? 1_555 NA ? D NA . ? A NA 203 ? 1_555 O  ? E HOH .  ? A HOH 348 ? 1_555 83.1  ? 
# 
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                   9ORW 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_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 329 ? E HOH . 
2 1 A HOH 352 ? 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 
PHE N    N  N N 252 
PHE CA   C  N S 253 
PHE C    C  N N 254 
PHE O    O  N N 255 
PHE CB   C  N N 256 
PHE CG   C  Y N 257 
PHE CD1  C  Y N 258 
PHE CD2  C  Y N 259 
PHE CE1  C  Y N 260 
PHE CE2  C  Y N 261 
PHE CZ   C  Y N 262 
PHE OXT  O  N N 263 
PHE H    H  N N 264 
PHE H2   H  N N 265 
PHE HA   H  N N 266 
PHE HB2  H  N N 267 
PHE HB3  H  N N 268 
PHE HD1  H  N N 269 
PHE HD2  H  N N 270 
PHE HE1  H  N N 271 
PHE HE2  H  N N 272 
PHE HZ   H  N N 273 
PHE HXT  H  N N 274 
PRO N    N  N N 275 
PRO CA   C  N S 276 
PRO C    C  N N 277 
PRO O    O  N N 278 
PRO CB   C  N N 279 
PRO CG   C  N N 280 
PRO CD   C  N N 281 
PRO OXT  O  N N 282 
PRO H    H  N N 283 
PRO HA   H  N N 284 
PRO HB2  H  N N 285 
PRO HB3  H  N N 286 
PRO HG2  H  N N 287 
PRO HG3  H  N N 288 
PRO HD2  H  N N 289 
PRO HD3  H  N N 290 
PRO HXT  H  N N 291 
SER N    N  N N 292 
SER CA   C  N S 293 
SER C    C  N N 294 
SER O    O  N N 295 
SER CB   C  N N 296 
SER OG   O  N N 297 
SER OXT  O  N N 298 
SER H    H  N N 299 
SER H2   H  N N 300 
SER HA   H  N N 301 
SER HB2  H  N N 302 
SER HB3  H  N N 303 
SER HG   H  N N 304 
SER HXT  H  N N 305 
THR N    N  N N 306 
THR CA   C  N S 307 
THR C    C  N N 308 
THR O    O  N N 309 
THR CB   C  N R 310 
THR OG1  O  N N 311 
THR CG2  C  N N 312 
THR OXT  O  N N 313 
THR H    H  N N 314 
THR H2   H  N N 315 
THR HA   H  N N 316 
THR HB   H  N N 317 
THR HG1  H  N N 318 
THR HG21 H  N N 319 
THR HG22 H  N N 320 
THR HG23 H  N N 321 
THR HXT  H  N N 322 
TRP N    N  N N 323 
TRP CA   C  N S 324 
TRP C    C  N N 325 
TRP O    O  N N 326 
TRP CB   C  N N 327 
TRP CG   C  Y N 328 
TRP CD1  C  Y N 329 
TRP CD2  C  Y N 330 
TRP NE1  N  Y N 331 
TRP CE2  C  Y N 332 
TRP CE3  C  Y N 333 
TRP CZ2  C  Y N 334 
TRP CZ3  C  Y N 335 
TRP CH2  C  Y N 336 
TRP OXT  O  N N 337 
TRP H    H  N N 338 
TRP H2   H  N N 339 
TRP HA   H  N N 340 
TRP HB2  H  N N 341 
TRP HB3  H  N N 342 
TRP HD1  H  N N 343 
TRP HE1  H  N N 344 
TRP HE3  H  N N 345 
TRP HZ2  H  N N 346 
TRP HZ3  H  N N 347 
TRP HH2  H  N N 348 
TRP HXT  H  N N 349 
TYR N    N  N N 350 
TYR CA   C  N S 351 
TYR C    C  N N 352 
TYR O    O  N N 353 
TYR CB   C  N N 354 
TYR CG   C  Y N 355 
TYR CD1  C  Y N 356 
TYR CD2  C  Y N 357 
TYR CE1  C  Y N 358 
TYR CE2  C  Y N 359 
TYR CZ   C  Y N 360 
TYR OH   O  N N 361 
TYR OXT  O  N N 362 
TYR H    H  N N 363 
TYR H2   H  N N 364 
TYR HA   H  N N 365 
TYR HB2  H  N N 366 
TYR HB3  H  N N 367 
TYR HD1  H  N N 368 
TYR HD2  H  N N 369 
TYR HE1  H  N N 370 
TYR HE2  H  N N 371 
TYR HH   H  N N 372 
TYR HXT  H  N N 373 
VAL N    N  N N 374 
VAL CA   C  N S 375 
VAL C    C  N N 376 
VAL O    O  N N 377 
VAL CB   C  N N 378 
VAL CG1  C  N N 379 
VAL CG2  C  N N 380 
VAL OXT  O  N N 381 
VAL H    H  N N 382 
VAL H2   H  N N 383 
VAL HA   H  N N 384 
VAL HB   H  N N 385 
VAL HG11 H  N N 386 
VAL HG12 H  N N 387 
VAL HG13 H  N N 388 
VAL HG21 H  N N 389 
VAL HG22 H  N N 390 
VAL HG23 H  N N 391 
VAL HXT  H  N N 392 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TRP N   CA   sing N N 306 
TRP N   H    sing N N 307 
TRP N   H2   sing N N 308 
TRP CA  C    sing N N 309 
TRP CA  CB   sing N N 310 
TRP CA  HA   sing N N 311 
TRP C   O    doub N N 312 
TRP C   OXT  sing N N 313 
TRP CB  CG   sing N N 314 
TRP CB  HB2  sing N N 315 
TRP CB  HB3  sing N N 316 
TRP CG  CD1  doub Y N 317 
TRP CG  CD2  sing Y N 318 
TRP CD1 NE1  sing Y N 319 
TRP CD1 HD1  sing N N 320 
TRP CD2 CE2  doub Y N 321 
TRP CD2 CE3  sing Y N 322 
TRP NE1 CE2  sing Y N 323 
TRP NE1 HE1  sing N N 324 
TRP CE2 CZ2  sing Y N 325 
TRP CE3 CZ3  doub Y N 326 
TRP CE3 HE3  sing N N 327 
TRP CZ2 CH2  doub Y N 328 
TRP CZ2 HZ2  sing N N 329 
TRP CZ3 CH2  sing Y N 330 
TRP CZ3 HZ3  sing N N 331 
TRP CH2 HH2  sing N N 332 
TRP OXT HXT  sing N N 333 
TYR N   CA   sing N N 334 
TYR N   H    sing N N 335 
TYR N   H2   sing N N 336 
TYR CA  C    sing N N 337 
TYR CA  CB   sing N N 338 
TYR CA  HA   sing N N 339 
TYR C   O    doub N N 340 
TYR C   OXT  sing N N 341 
TYR CB  CG   sing N N 342 
TYR CB  HB2  sing N N 343 
TYR CB  HB3  sing N N 344 
TYR CG  CD1  doub Y N 345 
TYR CG  CD2  sing Y N 346 
TYR CD1 CE1  sing Y N 347 
TYR CD1 HD1  sing N N 348 
TYR CD2 CE2  doub Y N 349 
TYR CD2 HD2  sing N N 350 
TYR CE1 CZ   doub Y N 351 
TYR CE1 HE1  sing N N 352 
TYR CE2 CZ   sing Y N 353 
TYR CE2 HE2  sing N N 354 
TYR CZ  OH   sing N N 355 
TYR OH  HH   sing N N 356 
TYR OXT HXT  sing N N 357 
VAL N   CA   sing N N 358 
VAL N   H    sing N N 359 
VAL N   H2   sing N N 360 
VAL CA  C    sing N N 361 
VAL CA  CB   sing N N 362 
VAL CA  HA   sing N N 363 
VAL C   O    doub N N 364 
VAL C   OXT  sing N N 365 
VAL CB  CG1  sing N N 366 
VAL CB  CG2  sing N N 367 
VAL CB  HB   sing N N 368 
VAL CG1 HG11 sing N N 369 
VAL CG1 HG12 sing N N 370 
VAL CG1 HG13 sing N N 371 
VAL CG2 HG21 sing N N 372 
VAL CG2 HG22 sing N N 373 
VAL CG2 HG23 sing N N 374 
VAL OXT HXT  sing N N 375 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Howard Hughes Medical Institute (HHMI)'           'United States' HHMI-EPI    1 
'National Science Foundation (NSF, United States)' 'United States' DMR-1548924 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   193L 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9ORW 
_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]   0.013004 
_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]   0.013004 
_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]   0.026918 
_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   ? -9.159  1.931   -17.761 1.00 13.72 ? 1   LYS A N   1 
ATOM   2    C  CA  . LYS A 1 1   ? -9.580  1.000   -18.801 1.00 15.56 ? 1   LYS A CA  1 
ATOM   3    C  C   . LYS A 1 1   ? -11.076 1.114   -19.010 1.00 14.22 ? 1   LYS A C   1 
ATOM   4    O  O   . LYS A 1 1   ? -11.828 1.093   -18.035 1.00 14.82 ? 1   LYS A O   1 
ATOM   5    C  CB  . LYS A 1 1   ? -9.197  -0.426  -18.404 1.00 17.54 ? 1   LYS A CB  1 
ATOM   6    C  CG  . LYS A 1 1   ? -9.758  -1.521  -19.324 1.00 19.03 ? 1   LYS A CG  1 
ATOM   7    C  CD  A LYS A 1 1   ? -9.242  -2.885  -18.923 0.92 18.65 ? 1   LYS A CD  1 
ATOM   8    C  CE  A LYS A 1 1   ? -9.931  -3.990  -19.717 0.92 18.42 ? 1   LYS A CE  1 
ATOM   9    N  NZ  A LYS A 1 1   ? -9.396  -3.993  -21.102 0.92 22.56 ? 1   LYS A NZ  1 
ATOM   10   N  N   . VAL A 1 2   ? -11.511 1.239   -20.261 1.00 14.36 ? 2   VAL A N   1 
ATOM   11   C  CA  . VAL A 1 2   ? -12.927 1.167   -20.606 1.00 11.81 ? 2   VAL A CA  1 
ATOM   12   C  C   . VAL A 1 2   ? -13.210 -0.262  -21.060 1.00 15.40 ? 2   VAL A C   1 
ATOM   13   O  O   . VAL A 1 2   ? -12.803 -0.678  -22.163 1.00 17.74 ? 2   VAL A O   1 
ATOM   14   C  CB  . VAL A 1 2   ? -13.314 2.196   -21.675 1.00 12.88 ? 2   VAL A CB  1 
ATOM   15   C  CG1 . VAL A 1 2   ? -14.774 2.038   -22.061 1.00 18.13 ? 2   VAL A CG1 1 
ATOM   16   C  CG2 . VAL A 1 2   ? -13.045 3.609   -21.179 1.00 14.87 ? 2   VAL A CG2 1 
ATOM   17   N  N   . PHE A 1 3   ? -13.924 -1.010  -20.215 1.00 11.16 ? 3   PHE A N   1 
ATOM   18   C  CA  . PHE A 1 3   ? -14.266 -2.398  -20.511 1.00 10.86 ? 3   PHE A CA  1 
ATOM   19   C  C   . PHE A 1 3   ? -15.335 -2.446  -21.586 1.00 13.94 ? 3   PHE A C   1 
ATOM   20   O  O   . PHE A 1 3   ? -16.223 -1.595  -21.651 1.00 13.04 ? 3   PHE A O   1 
ATOM   21   C  CB  . PHE A 1 3   ? -14.801 -3.114  -19.264 1.00 14.19 ? 3   PHE A CB  1 
ATOM   22   C  CG  . PHE A 1 3   ? -13.739 -3.733  -18.392 1.00 12.19 ? 3   PHE A CG  1 
ATOM   23   C  CD1 . PHE A 1 3   ? -13.026 -2.954  -17.505 1.00 13.35 ? 3   PHE A CD1 1 
ATOM   24   C  CD2 . PHE A 1 3   ? -13.489 -5.094  -18.425 1.00 13.84 ? 3   PHE A CD2 1 
ATOM   25   C  CE1 . PHE A 1 3   ? -12.071 -3.514  -16.702 1.00 14.33 ? 3   PHE A CE1 1 
ATOM   26   C  CE2 . PHE A 1 3   ? -12.523 -5.656  -17.633 1.00 13.30 ? 3   PHE A CE2 1 
ATOM   27   C  CZ  . PHE A 1 3   ? -11.813 -4.875  -16.770 1.00 13.17 ? 3   PHE A CZ  1 
ATOM   28   N  N   . GLY A 1 4   ? -15.275 -3.485  -22.413 1.00 12.57 ? 4   GLY A N   1 
ATOM   29   C  CA  . GLY A 1 4   ? -16.432 -3.825  -23.201 1.00 12.57 ? 4   GLY A CA  1 
ATOM   30   C  C   . GLY A 1 4   ? -17.481 -4.479  -22.329 1.00 12.97 ? 4   GLY A C   1 
ATOM   31   O  O   . GLY A 1 4   ? -17.193 -4.981  -21.246 1.00 14.05 ? 4   GLY A O   1 
ATOM   32   N  N   . ARG A 1 5   ? -18.721 -4.477  -22.809 1.00 13.96 ? 5   ARG A N   1 
ATOM   33   C  CA  . ARG A 1 5   ? -19.815 -5.039  -22.023 1.00 13.35 ? 5   ARG A CA  1 
ATOM   34   C  C   . ARG A 1 5   ? -19.549 -6.503  -21.658 1.00 13.84 ? 5   ARG A C   1 
ATOM   35   O  O   . ARG A 1 5   ? -19.575 -6.884  -20.485 1.00 13.56 ? 5   ARG A O   1 
ATOM   36   C  CB  . ARG A 1 5   ? -21.121 -4.877  -22.807 1.00 16.07 ? 5   ARG A CB  1 
ATOM   37   C  CG  . ARG A 1 5   ? -22.335 -5.482  -22.149 1.00 17.20 ? 5   ARG A CG  1 
ATOM   38   C  CD  . ARG A 1 5   ? -23.593 -5.136  -22.935 1.00 16.00 ? 5   ARG A CD  1 
ATOM   39   N  NE  . ARG A 1 5   ? -23.604 -5.656  -24.304 1.00 16.25 ? 5   ARG A NE  1 
ATOM   40   C  CZ  . ARG A 1 5   ? -23.920 -6.906  -24.614 1.00 16.35 ? 5   ARG A CZ  1 
ATOM   41   N  NH1 . ARG A 1 5   ? -24.236 -7.793  -23.676 1.00 16.20 ? 5   ARG A NH1 1 
ATOM   42   N  NH2 . ARG A 1 5   ? -23.915 -7.281  -25.892 1.00 22.54 ? 5   ARG A NH2 1 
ATOM   43   N  N   . CYS A 1 6   ? -19.315 -7.352  -22.662 1.00 13.44 ? 6   CYS A N   1 
ATOM   44   C  CA  . CYS A 1 6   ? -19.082 -8.771  -22.397 1.00 13.99 ? 6   CYS A CA  1 
ATOM   45   C  C   . CYS A 1 6   ? -17.745 -9.012  -21.705 1.00 12.68 ? 6   CYS A C   1 
ATOM   46   O  O   . CYS A 1 6   ? -17.617 -9.931  -20.891 1.00 13.92 ? 6   CYS A O   1 
ATOM   47   C  CB  . CYS A 1 6   ? -19.154 -9.562  -23.709 1.00 15.08 ? 6   CYS A CB  1 
ATOM   48   S  SG  . CYS A 1 6   ? -20.820 -9.656  -24.400 1.00 18.32 ? 6   CYS A SG  1 
ATOM   49   N  N   . GLU A 1 7   ? -16.752 -8.175  -21.994 1.00 12.97 ? 7   GLU A N   1 
ATOM   50   C  CA  . GLU A 1 7   ? -15.484 -8.258  -21.295 1.00 15.97 ? 7   GLU A CA  1 
ATOM   51   C  C   . GLU A 1 7   ? -15.677 -8.043  -19.804 1.00 12.55 ? 7   GLU A C   1 
ATOM   52   O  O   . GLU A 1 7   ? -15.125 -8.784  -18.984 1.00 15.36 ? 7   GLU A O   1 
ATOM   53   C  CB  . GLU A 1 7   ? -14.519 -7.230  -21.879 1.00 14.16 ? 7   GLU A CB  1 
ATOM   54   C  CG  . GLU A 1 7   ? -13.142 -7.259  -21.256 1.00 13.94 ? 7   GLU A CG  1 
ATOM   55   C  CD  . GLU A 1 7   ? -12.271 -6.123  -21.748 1.00 15.87 ? 7   GLU A CD  1 
ATOM   56   O  OE1 . GLU A 1 7   ? -12.782 -5.117  -22.278 1.00 17.23 ? 7   GLU A OE1 1 
ATOM   57   O  OE2 . GLU A 1 7   ? -11.036 -6.250  -21.617 1.00 19.94 ? 7   GLU A OE2 1 
ATOM   58   N  N   . LEU A 1 8   ? -16.496 -7.055  -19.427 1.00 12.08 ? 8   LEU A N   1 
ATOM   59   C  CA  . LEU A 1 8   ? -16.727 -6.839  -18.003 1.00 11.49 ? 8   LEU A CA  1 
ATOM   60   C  C   . LEU A 1 8   ? -17.549 -7.975  -17.411 1.00 11.99 ? 8   LEU A C   1 
ATOM   61   O  O   . LEU A 1 8   ? -17.293 -8.418  -16.288 1.00 13.48 ? 8   LEU A O   1 
ATOM   62   C  CB  . LEU A 1 8   ? -17.413 -5.499  -17.780 1.00 12.34 ? 8   LEU A CB  1 
ATOM   63   C  CG  . LEU A 1 8   ? -17.657 -5.169  -16.300 1.00 12.48 ? 8   LEU A CG  1 
ATOM   64   C  CD1 . LEU A 1 8   ? -16.367 -5.107  -15.529 1.00 13.64 ? 8   LEU A CD1 1 
ATOM   65   C  CD2 . LEU A 1 8   ? -18.406 -3.825  -16.192 1.00 13.61 ? 8   LEU A CD2 1 
ATOM   66   N  N   . ALA A 1 9   ? -18.550 -8.456  -18.149 1.00 13.68 ? 9   ALA A N   1 
ATOM   67   C  CA  . ALA A 1 9   ? -19.345 -9.571  -17.660 1.00 13.85 ? 9   ALA A CA  1 
ATOM   68   C  C   . ALA A 1 9   ? -18.467 -10.765 -17.335 1.00 14.11 ? 9   ALA A C   1 
ATOM   69   O  O   . ALA A 1 9   ? -18.621 -11.400 -16.284 1.00 14.39 ? 9   ALA A O   1 
ATOM   70   C  CB  . ALA A 1 9   ? -20.400 -9.931  -18.710 1.00 13.75 ? 9   ALA A CB  1 
ATOM   71   N  N   . ALA A 1 10  ? -17.519 -11.084 -18.236 1.00 14.39 ? 10  ALA A N   1 
ATOM   72   C  CA  . ALA A 1 10  ? -16.643 -12.229 -18.009 1.00 14.66 ? 10  ALA A CA  1 
ATOM   73   C  C   . ALA A 1 10  ? -15.747 -12.023 -16.794 1.00 15.28 ? 10  ALA A C   1 
ATOM   74   O  O   . ALA A 1 10  ? -15.515 -12.959 -16.018 1.00 16.52 ? 10  ALA A O   1 
ATOM   75   C  CB  . ALA A 1 10  ? -15.797 -12.479 -19.261 1.00 16.45 ? 10  ALA A CB  1 
ATOM   76   N  N   . ALA A 1 11  ? -15.254 -10.797 -16.591 1.00 12.97 ? 11  ALA A N   1 
ATOM   77   C  CA  . ALA A 1 11  ? -14.391 -10.530 -15.449 1.00 13.80 ? 11  ALA A CA  1 
ATOM   78   C  C   . ALA A 1 11  ? -15.161 -10.581 -14.127 1.00 15.16 ? 11  ALA A C   1 
ATOM   79   O  O   . ALA A 1 11  ? -14.678 -11.131 -13.136 1.00 15.57 ? 11  ALA A O   1 
ATOM   80   C  CB  . ALA A 1 11  ? -13.721 -9.177  -15.654 1.00 13.38 ? 11  ALA A CB  1 
ATOM   81   N  N   . MET A 1 12  ? -16.349 -9.979  -14.090 1.00 13.83 ? 12  MET A N   1 
ATOM   82   C  CA  . MET A 1 12  ? -17.210 -10.074 -12.908 1.00 13.61 ? 12  MET A CA  1 
ATOM   83   C  C   . MET A 1 12  ? -17.573 -11.509 -12.576 1.00 13.01 ? 12  MET A C   1 
ATOM   84   O  O   . MET A 1 12  ? -17.563 -11.900 -11.399 1.00 16.60 ? 12  MET A O   1 
ATOM   85   C  CB  . MET A 1 12  ? -18.455 -9.244  -13.168 1.00 13.66 ? 12  MET A CB  1 
ATOM   86   C  CG  . MET A 1 12  ? -18.171 -7.758  -13.325 1.00 11.93 ? 12  MET A CG  1 
ATOM   87   S  SD  . MET A 1 12  ? -19.708 -6.839  -13.391 1.00 13.20 ? 12  MET A SD  1 
ATOM   88   C  CE  . MET A 1 12  ? -19.291 -5.372  -12.520 1.00 13.36 ? 12  MET A CE  1 
ATOM   89   N  N   . LYS A 1 13  ? -17.903 -12.310 -13.600 1.00 14.73 ? 13  LYS A N   1 
ATOM   90   C  CA  . LYS A 1 13  ? -18.232 -13.712 -13.360 1.00 15.83 ? 13  LYS A CA  1 
ATOM   91   C  C   . LYS A 1 13  ? -17.017 -14.475 -12.835 1.00 18.68 ? 13  LYS A C   1 
ATOM   92   O  O   . LYS A 1 13  ? -17.116 -15.222 -11.851 1.00 18.23 ? 13  LYS A O   1 
ATOM   93   C  CB  . LYS A 1 13  ? -18.768 -14.329 -14.650 1.00 15.41 ? 13  LYS A CB  1 
ATOM   94   C  CG  . LYS A 1 13  ? -18.985 -15.820 -14.599 1.00 17.21 ? 13  LYS A CG  1 
ATOM   95   C  CD  . LYS A 1 13  ? -19.666 -16.296 -15.863 1.00 19.63 ? 13  LYS A CD  1 
ATOM   96   C  CE  . LYS A 1 13  ? -19.994 -17.756 -15.690 1.00 33.64 ? 13  LYS A CE  1 
ATOM   97   N  NZ  . LYS A 1 13  ? -20.751 -18.281 -16.843 1.00 42.49 ? 13  LYS A NZ  1 
ATOM   98   N  N   . ARG A 1 14  ? -15.844 -14.263 -13.441 1.00 15.54 ? 14  ARG A N   1 
ATOM   99   C  CA  . ARG A 1 14  ? -14.654 -14.956 -12.940 1.00 16.37 ? 14  ARG A CA  1 
ATOM   100  C  C   . ARG A 1 14  ? -14.377 -14.621 -11.480 1.00 18.74 ? 14  ARG A C   1 
ATOM   101  O  O   . ARG A 1 14  ? -13.957 -15.490 -10.703 1.00 16.39 ? 14  ARG A O   1 
ATOM   102  C  CB  . ARG A 1 14  ? -13.443 -14.611 -13.784 1.00 18.36 ? 14  ARG A CB  1 
ATOM   103  C  CG  . ARG A 1 14  ? -12.189 -15.100 -13.103 1.00 19.91 ? 14  ARG A CG  1 
ATOM   104  C  CD  . ARG A 1 14  ? -11.045 -14.975 -14.029 1.00 23.75 ? 14  ARG A CD  1 
ATOM   105  N  NE  . ARG A 1 14  ? -11.013 -13.644 -14.616 1.00 24.08 ? 14  ARG A NE  1 
ATOM   106  C  CZ  . ARG A 1 14  ? -10.370 -12.608 -14.096 1.00 20.52 ? 14  ARG A CZ  1 
ATOM   107  N  NH1 . ARG A 1 14  ? -9.616  -12.730 -13.003 1.00 24.86 ? 14  ARG A NH1 1 
ATOM   108  N  NH2 . ARG A 1 14  ? -10.486 -11.423 -14.688 1.00 17.19 ? 14  ARG A NH2 1 
ATOM   109  N  N   . HIS A 1 15  ? -14.623 -13.375 -11.082 1.00 14.86 ? 15  HIS A N   1 
ATOM   110  C  CA  . HIS A 1 15  ? -14.445 -12.955 -9.705  1.00 17.08 ? 15  HIS A CA  1 
ATOM   111  C  C   . HIS A 1 15  ? -15.622 -13.299 -8.809  1.00 19.11 ? 15  HIS A C   1 
ATOM   112  O  O   . HIS A 1 15  ? -15.626 -12.850 -7.657  1.00 20.39 ? 15  HIS A O   1 
ATOM   113  C  CB  . HIS A 1 15  ? -14.202 -11.456 -9.638  1.00 18.90 ? 15  HIS A CB  1 
ATOM   114  C  CG  . HIS A 1 15  ? -12.807 -11.063 -9.990  1.00 19.67 ? 15  HIS A CG  1 
ATOM   115  N  ND1 . HIS A 1 15  ? -12.476 -10.463 -11.185 1.00 23.47 ? 15  HIS A ND1 1 
ATOM   116  C  CD2 . HIS A 1 15  ? -11.651 -11.198 -9.301  1.00 18.99 ? 15  HIS A CD2 1 
ATOM   117  C  CE1 . HIS A 1 15  ? -11.176 -10.223 -11.208 1.00 21.34 ? 15  HIS A CE1 1 
ATOM   118  N  NE2 . HIS A 1 15  ? -10.654 -10.663 -10.079 1.00 24.51 ? 15  HIS A NE2 1 
ATOM   119  N  N   . GLY A 1 16  ? -16.606 -14.056 -9.295  1.00 15.96 ? 16  GLY A N   1 
ATOM   120  C  CA  . GLY A 1 16  ? -17.623 -14.586 -8.407  1.00 17.89 ? 16  GLY A CA  1 
ATOM   121  C  C   . GLY A 1 16  ? -18.793 -13.678 -8.097  1.00 16.27 ? 16  GLY A C   1 
ATOM   122  O  O   . GLY A 1 16  ? -19.490 -13.923 -7.109  1.00 17.79 ? 16  GLY A O   1 
ATOM   123  N  N   . LEU A 1 17  ? -19.060 -12.662 -8.930  1.00 16.17 ? 17  LEU A N   1 
ATOM   124  C  CA  . LEU A 1 17  ? -20.213 -11.800 -8.697  1.00 17.98 ? 17  LEU A CA  1 
ATOM   125  C  C   . LEU A 1 17  ? -21.527 -12.382 -9.208  1.00 16.42 ? 17  LEU A C   1 
ATOM   126  O  O   . LEU A 1 17  ? -22.576 -11.935 -8.749  1.00 17.07 ? 17  LEU A O   1 
ATOM   127  C  CB  . LEU A 1 17  ? -20.006 -10.417 -9.326  1.00 17.45 ? 17  LEU A CB  1 
ATOM   128  C  CG  . LEU A 1 17  ? -19.106 -9.463  -8.553  1.00 20.36 ? 17  LEU A CG  1 
ATOM   129  C  CD1 . LEU A 1 17  ? -19.044 -8.151  -9.307  1.00 14.88 ? 17  LEU A CD1 1 
ATOM   130  C  CD2 . LEU A 1 17  ? -19.563 -9.259  -7.096  1.00 16.18 ? 17  LEU A CD2 1 
ATOM   131  N  N   . ASP A 1 18  ? -21.522 -13.376 -10.117 1.00 16.81 ? 18  ASP A N   1 
ATOM   132  C  CA  . ASP A 1 18  ? -22.782 -13.921 -10.636 1.00 19.97 ? 18  ASP A CA  1 
ATOM   133  C  C   . ASP A 1 18  ? -23.545 -14.632 -9.524  1.00 20.45 ? 18  ASP A C   1 
ATOM   134  O  O   . ASP A 1 18  ? -23.092 -15.651 -8.999  1.00 21.75 ? 18  ASP A O   1 
ATOM   135  C  CB  . ASP A 1 18  ? -22.524 -14.879 -11.802 1.00 18.43 ? 18  ASP A CB  1 
ATOM   136  C  CG  . ASP A 1 18  ? -23.806 -15.270 -12.574 1.00 25.43 ? 18  ASP A CG  1 
ATOM   137  O  OD1 . ASP A 1 18  ? -24.895 -14.657 -12.396 1.00 20.66 ? 18  ASP A OD1 1 
ATOM   138  O  OD2 . ASP A 1 18  ? -23.711 -16.203 -13.408 1.00 28.56 ? 18  ASP A OD2 1 
ATOM   139  N  N   . ASN A 1 19  ? -24.712 -14.095 -9.167  1.00 16.64 ? 19  ASN A N   1 
ATOM   140  C  CA  . ASN A 1 19  ? -25.557 -14.586 -8.085  1.00 17.47 ? 19  ASN A CA  1 
ATOM   141  C  C   . ASN A 1 19  ? -24.954 -14.333 -6.711  1.00 15.71 ? 19  ASN A C   1 
ATOM   142  O  O   . ASN A 1 19  ? -25.389 -14.929 -5.724  1.00 17.26 ? 19  ASN A O   1 
ATOM   143  C  CB  . ASN A 1 19  ? -25.906 -16.077 -8.257  1.00 19.32 ? 19  ASN A CB  1 
ATOM   144  C  CG  . ASN A 1 19  ? -26.504 -16.379 -9.613  1.00 36.49 ? 19  ASN A CG  1 
ATOM   145  O  OD1 . ASN A 1 19  ? -27.419 -15.688 -10.064 1.00 45.26 ? 19  ASN A OD1 1 
ATOM   146  N  ND2 . ASN A 1 19  ? -25.979 -17.409 -10.282 1.00 36.57 ? 19  ASN A ND2 1 
ATOM   147  N  N   . TYR A 1 20  ? -24.002 -13.411 -6.597  1.00 14.16 ? 20  TYR A N   1 
ATOM   148  C  CA  . TYR A 1 20  ? -23.497 -13.062 -5.281  1.00 14.01 ? 20  TYR A CA  1 
ATOM   149  C  C   . TYR A 1 20  ? -24.588 -12.334 -4.498  1.00 14.99 ? 20  TYR A C   1 
ATOM   150  O  O   . TYR A 1 20  ? -25.161 -11.346 -4.979  1.00 13.89 ? 20  TYR A O   1 
ATOM   151  C  CB  . TYR A 1 20  ? -22.235 -12.209 -5.385  1.00 14.97 ? 20  TYR A CB  1 
ATOM   152  C  CG  . TYR A 1 20  ? -21.565 -12.069 -4.046  1.00 14.76 ? 20  TYR A CG  1 
ATOM   153  C  CD1 . TYR A 1 20  ? -20.636 -13.013 -3.615  1.00 14.14 ? 20  TYR A CD1 1 
ATOM   154  C  CD2 . TYR A 1 20  ? -21.861 -11.017 -3.206  1.00 14.38 ? 20  TYR A CD2 1 
ATOM   155  C  CE1 . TYR A 1 20  ? -20.030 -12.894 -2.392  1.00 17.49 ? 20  TYR A CE1 1 
ATOM   156  C  CE2 . TYR A 1 20  ? -21.262 -10.893 -1.985  1.00 16.02 ? 20  TYR A CE2 1 
ATOM   157  C  CZ  . TYR A 1 20  ? -20.349 -11.847 -1.579  1.00 18.59 ? 20  TYR A CZ  1 
ATOM   158  O  OH  . TYR A 1 20  ? -19.744 -11.739 -0.353  1.00 19.48 ? 20  TYR A OH  1 
ATOM   159  N  N   . ARG A 1 21  ? -24.893 -12.840 -3.295  1.00 13.94 ? 21  ARG A N   1 
ATOM   160  C  CA  . ARG A 1 21  ? -26.005 -12.327 -2.489  1.00 15.80 ? 21  ARG A CA  1 
ATOM   161  C  C   . ARG A 1 21  ? -27.313 -12.369 -3.276  1.00 15.61 ? 21  ARG A C   1 
ATOM   162  O  O   . ARG A 1 21  ? -28.233 -11.592 -3.026  1.00 16.48 ? 21  ARG A O   1 
ATOM   163  C  CB  . ARG A 1 21  ? -25.724 -10.908 -1.996  1.00 17.50 ? 21  ARG A CB  1 
ATOM   164  C  CG  . ARG A 1 21  ? -24.729 -10.860 -0.855  1.00 19.86 ? 21  ARG A CG  1 
ATOM   165  C  CD  . ARG A 1 21  ? -25.430 -11.032 0.461   1.00 23.38 ? 21  ARG A CD  1 
ATOM   166  N  NE  . ARG A 1 21  ? -24.492 -11.377 1.519   1.00 41.30 ? 21  ARG A NE  1 
ATOM   167  C  CZ  . ARG A 1 21  ? -24.743 -11.231 2.813   1.00 35.86 ? 21  ARG A CZ  1 
ATOM   168  N  NH1 . ARG A 1 21  ? -25.902 -10.756 3.241   1.00 39.75 ? 21  ARG A NH1 1 
ATOM   169  N  NH2 . ARG A 1 21  ? -23.804 -11.567 3.697   1.00 33.25 ? 21  ARG A NH2 1 
ATOM   170  N  N   . GLY A 1 22  ? -27.394 -13.281 -4.238  1.00 13.78 ? 22  GLY A N   1 
ATOM   171  C  CA  . GLY A 1 22  ? -28.570 -13.496 -5.049  1.00 13.16 ? 22  GLY A CA  1 
ATOM   172  C  C   . GLY A 1 22  ? -28.714 -12.592 -6.249  1.00 11.75 ? 22  GLY A C   1 
ATOM   173  O  O   . GLY A 1 22  ? -29.762 -12.612 -6.903  1.00 13.52 ? 22  GLY A O   1 
ATOM   174  N  N   . TYR A 1 23  ? -27.705 -11.810 -6.576  1.00 11.74 ? 23  TYR A N   1 
ATOM   175  C  CA  . TYR A 1 23  ? -27.813 -10.843 -7.663  1.00 11.79 ? 23  TYR A CA  1 
ATOM   176  C  C   . TYR A 1 23  ? -27.160 -11.399 -8.926  1.00 14.01 ? 23  TYR A C   1 
ATOM   177  O  O   . TYR A 1 23  ? -25.935 -11.557 -8.982  1.00 13.26 ? 23  TYR A O   1 
ATOM   178  C  CB  . TYR A 1 23  ? -27.186 -9.517  -7.250  1.00 11.37 ? 23  TYR A CB  1 
ATOM   179  C  CG  . TYR A 1 23  ? -28.039 -8.769  -6.245  1.00 10.45 ? 23  TYR A CG  1 
ATOM   180  C  CD1 . TYR A 1 23  ? -29.104 -7.959  -6.653  1.00 11.01 ? 23  TYR A CD1 1 
ATOM   181  C  CD2 . TYR A 1 23  ? -27.800 -8.904  -4.885  1.00 9.93  ? 23  TYR A CD2 1 
ATOM   182  C  CE1 . TYR A 1 23  ? -29.877 -7.288  -5.750  1.00 11.23 ? 23  TYR A CE1 1 
ATOM   183  C  CE2 . TYR A 1 23  ? -28.577 -8.216  -3.940  1.00 10.15 ? 23  TYR A CE2 1 
ATOM   184  C  CZ  . TYR A 1 23  ? -29.627 -7.423  -4.386  1.00 11.29 ? 23  TYR A CZ  1 
ATOM   185  O  OH  . TYR A 1 23  ? -30.398 -6.728  -3.487  1.00 12.71 ? 23  TYR A OH  1 
ATOM   186  N  N   . SER A 1 24  ? -27.967 -11.621 -9.963  1.00 12.15 ? 24  SER A N   1 
ATOM   187  C  CA  . SER A 1 24  ? -27.449 -12.197 -11.191 1.00 11.17 ? 24  SER A CA  1 
ATOM   188  C  C   . SER A 1 24  ? -26.447 -11.258 -11.867 1.00 13.14 ? 24  SER A C   1 
ATOM   189  O  O   . SER A 1 24  ? -26.435 -10.041 -11.649 1.00 12.68 ? 24  SER A O   1 
ATOM   190  C  CB  . SER A 1 24  ? -28.608 -12.503 -12.135 1.00 14.53 ? 24  SER A CB  1 
ATOM   191  O  OG  . SER A 1 24  ? -29.228 -11.294 -12.565 1.00 15.96 ? 24  SER A OG  1 
ATOM   192  N  N   . LEU A 1 25  ? -25.612 -11.846 -12.722 1.00 13.25 ? 25  LEU A N   1 
ATOM   193  C  CA  . LEU A 1 25  ? -24.551 -11.105 -13.413 1.00 13.58 ? 25  LEU A CA  1 
ATOM   194  C  C   . LEU A 1 25  ? -25.071 -9.849  -14.118 1.00 12.27 ? 25  LEU A C   1 
ATOM   195  O  O   . LEU A 1 25  ? -24.425 -8.793  -14.099 1.00 10.55 ? 25  LEU A O   1 
ATOM   196  C  CB  . LEU A 1 25  ? -23.859 -12.032 -14.418 1.00 14.82 ? 25  LEU A CB  1 
ATOM   197  C  CG  . LEU A 1 25  ? -22.556 -11.506 -15.002 1.00 12.36 ? 25  LEU A CG  1 
ATOM   198  C  CD1 . LEU A 1 25  ? -21.544 -11.192 -13.912 1.00 15.49 ? 25  LEU A CD1 1 
ATOM   199  C  CD2 . LEU A 1 25  ? -21.988 -12.515 -16.004 1.00 12.76 ? 25  LEU A CD2 1 
ATOM   200  N  N   . GLY A 1 26  ? -26.234 -9.933  -14.747 1.00 10.90 ? 26  GLY A N   1 
ATOM   201  C  CA  . GLY A 1 26  ? -26.773 -8.773  -15.437 1.00 10.59 ? 26  GLY A CA  1 
ATOM   202  C  C   . GLY A 1 26  ? -27.019 -7.575  -14.536 1.00 10.47 ? 26  GLY A C   1 
ATOM   203  O  O   . GLY A 1 26  ? -26.930 -6.435  -14.985 1.00 10.72 ? 26  GLY A O   1 
ATOM   204  N  N   . ASN A 1 27  ? -27.398 -7.816  -13.276 1.00 10.19 ? 27  ASN A N   1 
ATOM   205  C  CA  . ASN A 1 27  ? -27.538 -6.718  -12.321 1.00 10.41 ? 27  ASN A CA  1 
ATOM   206  C  C   . ASN A 1 27  ? -26.237 -5.968  -12.133 1.00 11.38 ? 27  ASN A C   1 
ATOM   207  O  O   . ASN A 1 27  ? -26.228 -4.729  -12.088 1.00 11.17 ? 27  ASN A O   1 
ATOM   208  C  CB  . ASN A 1 27  ? -28.008 -7.253  -10.975 1.00 10.02 ? 27  ASN A CB  1 
ATOM   209  C  CG  . ASN A 1 27  ? -29.475 -7.530  -10.970 1.00 11.21 ? 27  ASN A CG  1 
ATOM   210  O  OD1 . ASN A 1 27  ? -30.272 -6.618  -10.901 1.00 11.15 ? 27  ASN A OD1 1 
ATOM   211  N  ND2 . ASN A 1 27  ? -29.835 -8.803  -11.082 1.00 11.50 ? 27  ASN A ND2 1 
ATOM   212  N  N   . TRP A 1 28  ? -25.129 -6.706  -12.004 1.00 9.30  ? 28  TRP A N   1 
ATOM   213  C  CA  . TRP A 1 28  ? -23.821 -6.099  -11.800 1.00 8.78  ? 28  TRP A CA  1 
ATOM   214  C  C   . TRP A 1 28  ? -23.337 -5.353  -13.037 1.00 11.19 ? 28  TRP A C   1 
ATOM   215  O  O   . TRP A 1 28  ? -22.758 -4.263  -12.923 1.00 10.64 ? 28  TRP A O   1 
ATOM   216  C  CB  . TRP A 1 28  ? -22.825 -7.193  -11.403 1.00 10.73 ? 28  TRP A CB  1 
ATOM   217  C  CG  . TRP A 1 28  ? -23.163 -7.827  -10.082 1.00 9.33  ? 28  TRP A CG  1 
ATOM   218  C  CD1 . TRP A 1 28  ? -23.739 -9.044  -9.857  1.00 9.87  ? 28  TRP A CD1 1 
ATOM   219  C  CD2 . TRP A 1 28  ? -22.947 -7.240  -8.805  1.00 10.32 ? 28  TRP A CD2 1 
ATOM   220  N  NE1 . TRP A 1 28  ? -23.891 -9.255  -8.506  1.00 10.95 ? 28  TRP A NE1 1 
ATOM   221  C  CE2 . TRP A 1 28  ? -23.395 -8.161  -7.835  1.00 11.12 ? 28  TRP A CE2 1 
ATOM   222  C  CE3 . TRP A 1 28  ? -22.387 -6.031  -8.385  1.00 13.18 ? 28  TRP A CE3 1 
ATOM   223  C  CZ2 . TRP A 1 28  ? -23.326 -7.895  -6.454  1.00 10.84 ? 28  TRP A CZ2 1 
ATOM   224  C  CZ3 . TRP A 1 28  ? -22.316 -5.766  -7.016  1.00 11.74 ? 28  TRP A CZ3 1 
ATOM   225  C  CH2 . TRP A 1 28  ? -22.782 -6.693  -6.067  1.00 10.51 ? 28  TRP A CH2 1 
ATOM   226  N  N   . VAL A 1 29  ? -23.565 -5.921  -14.228 1.00 10.10 ? 29  VAL A N   1 
ATOM   227  C  CA  . VAL A 1 29  ? -23.158 -5.245  -15.455 1.00 9.50  ? 29  VAL A CA  1 
ATOM   228  C  C   . VAL A 1 29  ? -23.980 -3.972  -15.639 1.00 10.00 ? 29  VAL A C   1 
ATOM   229  O  O   . VAL A 1 29  ? -23.449 -2.917  -16.005 1.00 10.52 ? 29  VAL A O   1 
ATOM   230  C  CB  . VAL A 1 29  ? -23.265 -6.219  -16.649 1.00 10.94 ? 29  VAL A CB  1 
ATOM   231  C  CG1 . VAL A 1 29  ? -22.930 -5.507  -17.960 1.00 12.62 ? 29  VAL A CG1 1 
ATOM   232  C  CG2 . VAL A 1 29  ? -22.329 -7.417  -16.433 1.00 13.41 ? 29  VAL A CG2 1 
ATOM   233  N  N   . CYS A 1 30  ? -25.300 -4.051  -15.388 1.00 10.19 ? 30  CYS A N   1 
ATOM   234  C  CA  . CYS A 1 30  ? -26.165 -2.879  -15.482 1.00 10.67 ? 30  CYS A CA  1 
ATOM   235  C  C   . CYS A 1 30  ? -25.722 -1.792  -14.506 1.00 8.20  ? 30  CYS A C   1 
ATOM   236  O  O   . CYS A 1 30  ? -25.623 -0.619  -14.866 1.00 9.41  ? 30  CYS A O   1 
ATOM   237  C  CB  . CYS A 1 30  ? -27.612 -3.305  -15.198 1.00 9.36  ? 30  CYS A CB  1 
ATOM   238  S  SG  . CYS A 1 30  ? -28.814 -1.977  -15.387 1.00 11.35 ? 30  CYS A SG  1 
ATOM   239  N  N   . ALA A 1 31  ? -25.425 -2.177  -13.270 1.00 10.32 ? 31  ALA A N   1 
ATOM   240  C  CA  . ALA A 1 31  ? -24.951 -1.184  -12.307 1.00 9.86  ? 31  ALA A CA  1 
ATOM   241  C  C   . ALA A 1 31  ? -23.670 -0.517  -12.795 1.00 10.32 ? 31  ALA A C   1 
ATOM   242  O  O   . ALA A 1 31  ? -23.533 0.712   -12.725 1.00 11.27 ? 31  ALA A O   1 
ATOM   243  C  CB  . ALA A 1 31  ? -24.709 -1.839  -10.945 1.00 12.96 ? 31  ALA A CB  1 
ATOM   244  N  N   . ALA A 1 32  ? -22.696 -1.312  -13.253 1.00 9.95  ? 32  ALA A N   1 
ATOM   245  C  CA  . ALA A 1 32  ? -21.466 -0.720  -13.780 1.00 8.88  ? 32  ALA A CA  1 
ATOM   246  C  C   . ALA A 1 32  ? -21.716 0.186   -14.981 1.00 11.33 ? 32  ALA A C   1 
ATOM   247  O  O   . ALA A 1 32  ? -21.068 1.230   -15.127 1.00 11.48 ? 32  ALA A O   1 
ATOM   248  C  CB  . ALA A 1 32  ? -20.475 -1.815  -14.167 1.00 9.13  ? 32  ALA A CB  1 
ATOM   249  N  N   . LYS A 1 33  ? -22.630 -0.195  -15.875 1.00 9.69  ? 33  LYS A N   1 
ATOM   250  C  CA  . LYS A 1 33  ? -22.921 0.678   -17.003 1.00 10.46 ? 33  LYS A CA  1 
ATOM   251  C  C   . LYS A 1 33  ? -23.343 2.063   -16.538 1.00 10.34 ? 33  LYS A C   1 
ATOM   252  O  O   . LYS A 1 33  ? -22.825 3.083   -17.020 1.00 11.19 ? 33  LYS A O   1 
ATOM   253  C  CB  . LYS A 1 33  ? -24.018 0.051   -17.865 1.00 11.36 ? 33  LYS A CB  1 
ATOM   254  C  CG  . LYS A 1 33  ? -24.600 0.989   -18.924 1.00 12.35 ? 33  LYS A CG  1 
ATOM   255  C  CD  . LYS A 1 33  ? -23.585 1.258   -19.984 1.00 14.52 ? 33  LYS A CD  1 
ATOM   256  C  CE  . LYS A 1 33  ? -24.107 2.240   -21.040 1.00 19.14 ? 33  LYS A CE  1 
ATOM   257  N  NZ  . LYS A 1 33  ? -23.093 2.353   -22.119 1.00 21.57 ? 33  LYS A NZ  1 
ATOM   258  N  N   . PHE A 1 34  ? -24.309 2.124   -15.613 1.00 11.25 ? 34  PHE A N   1 
ATOM   259  C  CA  . PHE A 1 34  ? -24.828 3.434   -15.240 1.00 10.12 ? 34  PHE A CA  1 
ATOM   260  C  C   . PHE A 1 34  ? -24.010 4.127   -14.157 1.00 11.39 ? 34  PHE A C   1 
ATOM   261  O  O   . PHE A 1 34  ? -24.073 5.355   -14.051 1.00 15.30 ? 34  PHE A O   1 
ATOM   262  C  CB  . PHE A 1 34  ? -26.317 3.300   -14.857 1.00 12.08 ? 34  PHE A CB  1 
ATOM   263  C  CG  . PHE A 1 34  ? -27.173 2.860   -16.014 1.00 11.16 ? 34  PHE A CG  1 
ATOM   264  C  CD1 . PHE A 1 34  ? -27.141 3.568   -17.206 1.00 10.48 ? 34  PHE A CD1 1 
ATOM   265  C  CD2 . PHE A 1 34  ? -27.959 1.721   -15.934 1.00 12.08 ? 34  PHE A CD2 1 
ATOM   266  C  CE1 . PHE A 1 34  ? -27.895 3.169   -18.280 1.00 11.68 ? 34  PHE A CE1 1 
ATOM   267  C  CE2 . PHE A 1 34  ? -28.731 1.325   -17.033 1.00 15.02 ? 34  PHE A CE2 1 
ATOM   268  C  CZ  . PHE A 1 34  ? -28.685 2.050   -18.201 1.00 13.13 ? 34  PHE A CZ  1 
ATOM   269  N  N   . GLU A 1 35  ? -23.178 3.401   -13.416 1.00 11.48 ? 35  GLU A N   1 
ATOM   270  C  CA  . GLU A 1 35  ? -22.294 4.079   -12.476 1.00 10.66 ? 35  GLU A CA  1 
ATOM   271  C  C   . GLU A 1 35  ? -21.083 4.699   -13.177 1.00 13.07 ? 35  GLU A C   1 
ATOM   272  O  O   . GLU A 1 35  ? -20.690 5.831   -12.860 1.00 12.61 ? 35  GLU A O   1 
ATOM   273  C  CB  . GLU A 1 35  ? -21.836 3.103   -11.401 1.00 12.39 ? 35  GLU A CB  1 
ATOM   274  C  CG  . GLU A 1 35  ? -22.916 2.642   -10.435 1.00 11.67 ? 35  GLU A CG  1 
ATOM   275  C  CD  . GLU A 1 35  ? -23.441 3.748   -9.512  1.00 13.48 ? 35  GLU A CD  1 
ATOM   276  O  OE1 . GLU A 1 35  ? -22.987 4.914   -9.587  1.00 15.25 ? 35  GLU A OE1 1 
ATOM   277  O  OE2 . GLU A 1 35  ? -24.367 3.443   -8.730  1.00 13.42 ? 35  GLU A OE2 1 
ATOM   278  N  N   . SER A 1 36  ? -20.473 3.977   -14.118 1.00 13.05 ? 36  SER A N   1 
ATOM   279  C  CA  . SER A 1 36  ? -19.167 4.356   -14.648 1.00 10.93 ? 36  SER A CA  1 
ATOM   280  C  C   . SER A 1 36  ? -19.064 4.295   -16.165 1.00 12.29 ? 36  SER A C   1 
ATOM   281  O  O   . SER A 1 36  ? -17.998 4.632   -16.708 1.00 13.08 ? 36  SER A O   1 
ATOM   282  C  CB  . SER A 1 36  ? -18.081 3.443   -14.076 1.00 11.31 ? 36  SER A CB  1 
ATOM   283  O  OG  . SER A 1 36  ? -18.247 2.131   -14.584 1.00 10.38 ? 36  SER A OG  1 
ATOM   284  N  N   . ASN A 1 37  ? -20.113 3.858   -16.864 1.00 12.17 ? 37  ASN A N   1 
ATOM   285  C  CA  . ASN A 1 37  ? -20.028 3.548   -18.297 1.00 13.40 ? 37  ASN A CA  1 
ATOM   286  C  C   . ASN A 1 37  ? -18.873 2.592   -18.590 1.00 12.09 ? 37  ASN A C   1 
ATOM   287  O  O   . ASN A 1 37  ? -18.215 2.677   -19.628 1.00 14.24 ? 37  ASN A O   1 
ATOM   288  C  CB  . ASN A 1 37  ? -19.927 4.826   -19.138 1.00 15.41 ? 37  ASN A CB  1 
ATOM   289  C  CG  . ASN A 1 37  ? -20.448 4.632   -20.538 1.00 21.62 ? 37  ASN A CG  1 
ATOM   290  O  OD1 . ASN A 1 37  ? -21.152 3.664   -20.824 1.00 18.59 ? 37  ASN A OD1 1 
ATOM   291  N  ND2 . ASN A 1 37  ? -20.078 5.538   -21.436 1.00 21.88 ? 37  ASN A ND2 1 
ATOM   292  N  N   . PHE A 1 38  ? -18.628 1.666   -17.659 1.00 11.33 ? 38  PHE A N   1 
ATOM   293  C  CA  . PHE A 1 38  ? -17.621 0.611   -17.777 1.00 10.43 ? 38  PHE A CA  1 
ATOM   294  C  C   . PHE A 1 38  ? -16.183 1.144   -17.727 1.00 11.00 ? 38  PHE A C   1 
ATOM   295  O  O   . PHE A 1 38  ? -15.235 0.418   -18.078 1.00 12.10 ? 38  PHE A O   1 
ATOM   296  C  CB  . PHE A 1 38  ? -17.804 -0.235  -19.052 1.00 11.43 ? 38  PHE A CB  1 
ATOM   297  C  CG  . PHE A 1 38  ? -19.152 -0.890  -19.206 1.00 11.92 ? 38  PHE A CG  1 
ATOM   298  C  CD1 . PHE A 1 38  ? -19.855 -1.422  -18.118 1.00 11.07 ? 38  PHE A CD1 1 
ATOM   299  C  CD2 . PHE A 1 38  ? -19.688 -1.027  -20.471 1.00 13.21 ? 38  PHE A CD2 1 
ATOM   300  C  CE1 . PHE A 1 38  ? -21.083 -2.059  -18.314 1.00 11.07 ? 38  PHE A CE1 1 
ATOM   301  C  CE2 . PHE A 1 38  ? -20.924 -1.652  -20.678 1.00 11.81 ? 38  PHE A CE2 1 
ATOM   302  C  CZ  . PHE A 1 38  ? -21.603 -2.169  -19.599 1.00 11.53 ? 38  PHE A CZ  1 
ATOM   303  N  N   . ASN A 1 39  ? -15.987 2.356   -17.233 1.00 12.14 ? 39  ASN A N   1 
ATOM   304  C  CA  . ASN A 1 39  ? -14.666 3.000   -17.178 1.00 11.63 ? 39  ASN A CA  1 
ATOM   305  C  C   . ASN A 1 39  ? -14.069 2.848   -15.778 1.00 10.13 ? 39  ASN A C   1 
ATOM   306  O  O   . ASN A 1 39  ? -14.562 3.460   -14.829 1.00 12.07 ? 39  ASN A O   1 
ATOM   307  C  CB  . ASN A 1 39  ? -14.821 4.476   -17.528 1.00 11.54 ? 39  ASN A CB  1 
ATOM   308  C  CG  . ASN A 1 39  ? -13.485 5.207   -17.683 1.00 11.14 ? 39  ASN A CG  1 
ATOM   309  O  OD1 . ASN A 1 39  ? -12.434 4.684   -17.342 1.00 11.84 ? 39  ASN A OD1 1 
ATOM   310  N  ND2 . ASN A 1 39  ? -13.539 6.393   -18.257 1.00 19.74 ? 39  ASN A ND2 1 
ATOM   311  N  N   . THR A 1 40  ? -13.000 2.055   -15.635 1.00 10.43 ? 40  THR A N   1 
ATOM   312  C  CA  . THR A 1 40  ? -12.398 1.895   -14.317 1.00 10.39 ? 40  THR A CA  1 
ATOM   313  C  C   . THR A 1 40  ? -11.882 3.213   -13.737 1.00 9.84  ? 40  THR A C   1 
ATOM   314  O  O   . THR A 1 40  ? -11.742 3.305   -12.507 1.00 12.03 ? 40  THR A O   1 
ATOM   315  C  CB  . THR A 1 40  ? -11.231 0.895   -14.308 1.00 13.96 ? 40  THR A CB  1 
ATOM   316  O  OG1 . THR A 1 40  ? -10.138 1.425   -15.067 1.00 15.42 ? 40  THR A OG1 1 
ATOM   317  C  CG2 . THR A 1 40  ? -11.620 -0.441  -14.908 1.00 12.04 ? 40  THR A CG2 1 
ATOM   318  N  N   . GLN A 1 41  ? -11.607 4.232   -14.564 1.00 10.29 ? 41  GLN A N   1 
ATOM   319  C  CA  . GLN A 1 41  ? -11.017 5.454   -14.023 1.00 12.19 ? 41  GLN A CA  1 
ATOM   320  C  C   . GLN A 1 41  ? -12.051 6.481   -13.592 1.00 10.56 ? 41  GLN A C   1 
ATOM   321  O  O   . GLN A 1 41  ? -11.676 7.570   -13.145 1.00 12.99 ? 41  GLN A O   1 
ATOM   322  C  CB  . GLN A 1 41  ? -10.064 6.088   -15.040 1.00 10.43 ? 41  GLN A CB  1 
ATOM   323  C  CG  . GLN A 1 41  ? -8.888  5.205   -15.441 1.00 11.96 ? 41  GLN A CG  1 
ATOM   324  C  CD  . GLN A 1 41  ? -7.797  5.998   -16.127 1.00 14.90 ? 41  GLN A CD  1 
ATOM   325  O  OE1 . GLN A 1 41  ? -7.045  6.728   -15.467 1.00 15.52 ? 41  GLN A OE1 1 
ATOM   326  N  NE2 . GLN A 1 41  ? -7.707  5.883   -17.440 1.00 13.30 ? 41  GLN A NE2 1 
ATOM   327  N  N   . ALA A 1 42  ? -13.337 6.188   -13.708 1.00 8.72  ? 42  ALA A N   1 
ATOM   328  C  CA  . ALA A 1 42  ? -14.367 7.164   -13.368 1.00 10.13 ? 42  ALA A CA  1 
ATOM   329  C  C   . ALA A 1 42  ? -14.294 7.597   -11.901 1.00 9.56  ? 42  ALA A C   1 
ATOM   330  O  O   . ALA A 1 42  ? -14.170 6.765   -11.002 1.00 10.39 ? 42  ALA A O   1 
ATOM   331  C  CB  . ALA A 1 42  ? -15.746 6.562   -13.651 1.00 9.12  ? 42  ALA A CB  1 
ATOM   332  N  N   . THR A 1 43  ? -14.384 8.901   -11.670 1.00 10.79 ? 43  THR A N   1 
ATOM   333  C  CA  . THR A 1 43  ? -14.495 9.466   -10.326 1.00 11.51 ? 43  THR A CA  1 
ATOM   334  C  C   . THR A 1 43  ? -15.565 10.542  -10.352 1.00 10.53 ? 43  THR A C   1 
ATOM   335  O  O   . THR A 1 43  ? -15.693 11.281  -11.329 1.00 13.90 ? 43  THR A O   1 
ATOM   336  C  CB  . THR A 1 43  ? -13.168 10.072  -9.822  1.00 12.77 ? 43  THR A CB  1 
ATOM   337  O  OG1 . THR A 1 43  ? -12.775 11.181  -10.656 1.00 13.25 ? 43  THR A OG1 1 
ATOM   338  C  CG2 . THR A 1 43  ? -12.039 9.029   -9.732  1.00 13.71 ? 43  THR A CG2 1 
ATOM   339  N  N   . ASN A 1 44  ? -16.332 10.641  -9.270  1.00 11.82 ? 44  ASN A N   1 
ATOM   340  C  CA  . ASN A 1 44  ? -17.411 11.619  -9.214  1.00 10.65 ? 44  ASN A CA  1 
ATOM   341  C  C   . ASN A 1 44  ? -17.587 12.074  -7.774  1.00 12.60 ? 44  ASN A C   1 
ATOM   342  O  O   . ASN A 1 44  ? -17.825 11.261  -6.875  1.00 13.50 ? 44  ASN A O   1 
ATOM   343  C  CB  . ASN A 1 44  ? -18.721 11.048  -9.779  1.00 16.64 ? 44  ASN A CB  1 
ATOM   344  C  CG  . ASN A 1 44  ? -18.661 10.850  -11.315 1.00 15.18 ? 44  ASN A CG  1 
ATOM   345  O  OD1 . ASN A 1 44  ? -18.686 11.829  -12.087 1.00 19.74 ? 44  ASN A OD1 1 
ATOM   346  N  ND2 . ASN A 1 44  ? -18.544 9.589   -11.759 1.00 17.36 ? 44  ASN A ND2 1 
ATOM   347  N  N   . ARG A 1 45  ? -17.472 13.378  -7.566  1.00 14.68 ? 45  ARG A N   1 
ATOM   348  C  CA  . ARG A 1 45  ? -17.642 13.947  -6.240  1.00 14.40 ? 45  ARG A CA  1 
ATOM   349  C  C   . ARG A 1 45  ? -19.117 13.955  -5.880  1.00 17.59 ? 45  ARG A C   1 
ATOM   350  O  O   . ARG A 1 45  ? -19.976 14.256  -6.711  1.00 22.58 ? 45  ARG A O   1 
ATOM   351  C  CB  . ARG A 1 45  ? -17.074 15.371  -6.214  1.00 18.20 ? 45  ARG A CB  1 
ATOM   352  C  CG  . ARG A 1 45  ? -17.179 16.056  -4.872  1.00 17.79 ? 45  ARG A CG  1 
ATOM   353  C  CD  . ARG A 1 45  ? -16.039 15.731  -3.970  1.00 27.94 ? 45  ARG A CD  1 
ATOM   354  N  NE  . ARG A 1 45  ? -14.926 16.654  -4.155  1.00 35.08 ? 45  ARG A NE  1 
ATOM   355  C  CZ  . ARG A 1 45  ? -14.085 17.010  -3.193  1.00 21.10 ? 45  ARG A CZ  1 
ATOM   356  N  NH1 . ARG A 1 45  ? -14.224 16.571  -1.947  1.00 27.27 ? 45  ARG A NH1 1 
ATOM   357  N  NH2 . ARG A 1 45  ? -13.085 17.835  -3.481  1.00 25.17 ? 45  ARG A NH2 1 
ATOM   358  N  N   . ASN A 1 46  ? -19.409 13.603  -4.635  1.00 14.53 ? 46  ASN A N   1 
ATOM   359  C  CA  . ASN A 1 46  ? -20.749 13.632  -4.081  1.00 15.37 ? 46  ASN A CA  1 
ATOM   360  C  C   . ASN A 1 46  ? -20.955 14.943  -3.328  1.00 18.08 ? 46  ASN A C   1 
ATOM   361  O  O   . ASN A 1 46  ? -19.998 15.595  -2.895  1.00 18.50 ? 46  ASN A O   1 
ATOM   362  C  CB  . ASN A 1 46  ? -20.975 12.438  -3.134  1.00 17.01 ? 46  ASN A CB  1 
ATOM   363  C  CG  . ASN A 1 46  ? -20.684 11.101  -3.794  1.00 22.59 ? 46  ASN A CG  1 
ATOM   364  O  OD1 . ASN A 1 46  ? -19.999 10.250  -3.217  1.00 27.49 ? 46  ASN A OD1 1 
ATOM   365  N  ND2 . ASN A 1 46  ? -21.173 10.916  -5.011  1.00 23.30 ? 46  ASN A ND2 1 
ATOM   366  N  N   . THR A 1 47  ? -22.226 15.294  -3.124  1.00 22.69 ? 47  THR A N   1 
ATOM   367  C  CA  . THR A 1 47  ? -22.529 16.557  -2.457  1.00 23.35 ? 47  THR A CA  1 
ATOM   368  C  C   . THR A 1 47  ? -22.024 16.576  -1.020  1.00 21.70 ? 47  THR A C   1 
ATOM   369  O  O   . THR A 1 47  ? -21.697 17.646  -0.500  1.00 22.60 ? 47  THR A O   1 
ATOM   370  C  CB  . THR A 1 47  ? -24.037 16.832  -2.467  1.00 26.26 ? 47  THR A CB  1 
ATOM   371  O  OG1 . THR A 1 47  ? -24.735 15.757  -1.836  1.00 30.07 ? 47  THR A OG1 1 
ATOM   372  C  CG2 . THR A 1 47  ? -24.538 16.962  -3.905  1.00 26.43 ? 47  THR A CG2 1 
ATOM   373  N  N   . ASP A 1 48  ? -21.943 15.416  -0.358  1.00 19.97 ? 48  ASP A N   1 
ATOM   374  C  CA  . ASP A 1 48  ? -21.490 15.400  1.028   1.00 16.98 ? 48  ASP A CA  1 
ATOM   375  C  C   . ASP A 1 48  ? -19.983 15.541  1.155   1.00 18.88 ? 48  ASP A C   1 
ATOM   376  O  O   . ASP A 1 48  ? -19.466 15.486  2.272   1.00 21.61 ? 48  ASP A O   1 
ATOM   377  C  CB  . ASP A 1 48  ? -21.999 14.132  1.749   1.00 20.56 ? 48  ASP A CB  1 
ATOM   378  C  CG  . ASP A 1 48  ? -21.393 12.838  1.220   1.00 19.98 ? 48  ASP A CG  1 
ATOM   379  O  OD1 . ASP A 1 48  ? -20.564 12.875  0.283   1.00 19.00 ? 48  ASP A OD1 1 
ATOM   380  O  OD2 . ASP A 1 48  ? -21.744 11.764  1.771   1.00 22.45 ? 48  ASP A OD2 1 
ATOM   381  N  N   . GLY A 1 49  ? -19.273 15.738  0.037   1.00 16.81 ? 49  GLY A N   1 
ATOM   382  C  CA  . GLY A 1 49  ? -17.831 15.862  0.049   1.00 19.89 ? 49  GLY A CA  1 
ATOM   383  C  C   . GLY A 1 49  ? -17.077 14.570  -0.204  1.00 18.72 ? 49  GLY A C   1 
ATOM   384  O  O   . GLY A 1 49  ? -15.869 14.609  -0.470  1.00 18.52 ? 49  GLY A O   1 
ATOM   385  N  N   . SER A 1 50  ? -17.748 13.423  -0.115  1.00 14.38 ? 50  SER A N   1 
ATOM   386  C  CA  . SER A 1 50  ? -17.094 12.186  -0.466  1.00 14.55 ? 50  SER A CA  1 
ATOM   387  C  C   . SER A 1 50  ? -16.996 12.103  -1.989  1.00 11.69 ? 50  SER A C   1 
ATOM   388  O  O   . SER A 1 50  ? -17.526 12.941  -2.711  1.00 13.21 ? 50  SER A O   1 
ATOM   389  C  CB  . SER A 1 50  ? -17.859 10.999  0.124   1.00 13.51 ? 50  SER A CB  1 
ATOM   390  O  OG  . SER A 1 50  ? -19.131 10.901  -0.484  1.00 13.30 ? 50  SER A OG  1 
ATOM   391  N  N   . THR A 1 51  ? -16.285 11.088  -2.459  1.00 11.01 ? 51  THR A N   1 
ATOM   392  C  CA  . THR A 1 51  ? -16.112 10.836  -3.881  1.00 9.18  ? 51  THR A CA  1 
ATOM   393  C  C   . THR A 1 51  ? -16.395 9.365   -4.144  1.00 11.91 ? 51  THR A C   1 
ATOM   394  O  O   . THR A 1 51  ? -16.105 8.503   -3.307  1.00 10.97 ? 51  THR A O   1 
ATOM   395  C  CB  . THR A 1 51  ? -14.691 11.238  -4.311  1.00 10.66 ? 51  THR A CB  1 
ATOM   396  O  OG1 . THR A 1 51  ? -14.500 12.622  -4.036  1.00 12.25 ? 51  THR A OG1 1 
ATOM   397  C  CG2 . THR A 1 51  ? -14.485 11.059  -5.801  1.00 11.20 ? 51  THR A CG2 1 
ATOM   398  N  N   . ASP A 1 52  ? -16.951 9.086   -5.325  1.00 11.30 ? 52  ASP A N   1 
ATOM   399  C  CA  . ASP A 1 52  ? -17.185 7.722   -5.796  1.00 12.62 ? 52  ASP A CA  1 
ATOM   400  C  C   . ASP A 1 52  ? -16.101 7.355   -6.799  1.00 11.17 ? 52  ASP A C   1 
ATOM   401  O  O   . ASP A 1 52  ? -15.771 8.159   -7.678  1.00 11.35 ? 52  ASP A O   1 
ATOM   402  C  CB  . ASP A 1 52  ? -18.529 7.588   -6.516  1.00 13.97 ? 52  ASP A CB  1 
ATOM   403  C  CG  . ASP A 1 52  ? -19.724 7.739   -5.600  1.00 18.47 ? 52  ASP A CG  1 
ATOM   404  O  OD1 . ASP A 1 52  ? -19.579 7.586   -4.373  1.00 17.56 ? 52  ASP A OD1 1 
ATOM   405  O  OD2 . ASP A 1 52  ? -20.822 8.007   -6.145  1.00 22.42 ? 52  ASP A OD2 1 
ATOM   406  N  N   . TYR A 1 53  ? -15.610 6.131   -6.711  1.00 11.99 ? 53  TYR A N   1 
ATOM   407  C  CA  . TYR A 1 53  ? -14.441 5.702   -7.468  1.00 10.89 ? 53  TYR A CA  1 
ATOM   408  C  C   . TYR A 1 53  ? -14.710 4.415   -8.231  1.00 11.76 ? 53  TYR A C   1 
ATOM   409  O  O   . TYR A 1 53  ? -15.161 3.433   -7.637  1.00 11.16 ? 53  TYR A O   1 
ATOM   410  C  CB  . TYR A 1 53  ? -13.247 5.457   -6.518  1.00 11.94 ? 53  TYR A CB  1 
ATOM   411  C  CG  . TYR A 1 53  ? -12.755 6.709   -5.838  1.00 11.14 ? 53  TYR A CG  1 
ATOM   412  C  CD1 . TYR A 1 53  ? -13.329 7.125   -4.643  1.00 10.99 ? 53  TYR A CD1 1 
ATOM   413  C  CD2 . TYR A 1 53  ? -11.717 7.472   -6.386  1.00 11.19 ? 53  TYR A CD2 1 
ATOM   414  C  CE1 . TYR A 1 53  ? -12.900 8.270   -4.002  1.00 10.69 ? 53  TYR A CE1 1 
ATOM   415  C  CE2 . TYR A 1 53  ? -11.292 8.648   -5.766  1.00 10.08 ? 53  TYR A CE2 1 
ATOM   416  C  CZ  . TYR A 1 53  ? -11.879 9.020   -4.575  1.00 10.79 ? 53  TYR A CZ  1 
ATOM   417  O  OH  . TYR A 1 53  ? -11.453 10.181  -3.972  1.00 10.16 ? 53  TYR A OH  1 
ATOM   418  N  N   . GLY A 1 54  ? -14.305 4.393   -9.505  1.00 9.99  ? 54  GLY A N   1 
ATOM   419  C  CA  . GLY A 1 54  ? -14.151 3.161   -10.251 1.00 10.13 ? 54  GLY A CA  1 
ATOM   420  C  C   . GLY A 1 54  ? -15.413 2.650   -10.895 1.00 9.90  ? 54  GLY A C   1 
ATOM   421  O  O   . GLY A 1 54  ? -16.447 3.311   -10.994 1.00 10.79 ? 54  GLY A O   1 
ATOM   422  N  N   . ILE A 1 55  ? -15.276 1.407   -11.356 1.00 12.61 ? 55  ILE A N   1 
ATOM   423  C  CA  . ILE A 1 55  ? -16.282 0.771   -12.191 1.00 12.63 ? 55  ILE A CA  1 
ATOM   424  C  C   . ILE A 1 55  ? -17.633 0.701   -11.495 1.00 13.26 ? 55  ILE A C   1 
ATOM   425  O  O   . ILE A 1 55  ? -18.675 0.746   -12.149 1.00 11.42 ? 55  ILE A O   1 
ATOM   426  C  CB  . ILE A 1 55  ? -15.760 -0.625  -12.605 1.00 17.60 ? 55  ILE A CB  1 
ATOM   427  C  CG1 . ILE A 1 55  ? -16.619 -1.231  -13.709 1.00 26.96 ? 55  ILE A CG1 1 
ATOM   428  C  CG2 . ILE A 1 55  ? -15.635 -1.573  -11.439 1.00 16.30 ? 55  ILE A CG2 1 
ATOM   429  C  CD1 . ILE A 1 55  ? -16.040 -1.020  -15.040 1.00 23.59 ? 55  ILE A CD1 1 
ATOM   430  N  N   . LEU A 1 56  ? -17.644 0.613   -10.161 1.00 13.44 ? 56  LEU A N   1 
ATOM   431  C  CA  . LEU A 1 56  ? -18.901 0.540   -9.423  1.00 13.11 ? 56  LEU A CA  1 
ATOM   432  C  C   . LEU A 1 56  ? -19.059 1.733   -8.481  1.00 15.16 ? 56  LEU A C   1 
ATOM   433  O  O   . LEU A 1 56  ? -19.911 1.718   -7.591  1.00 12.84 ? 56  LEU A O   1 
ATOM   434  C  CB  . LEU A 1 56  ? -19.014 -0.783  -8.662  1.00 13.07 ? 56  LEU A CB  1 
ATOM   435  C  CG  . LEU A 1 56  ? -19.373 -1.997  -9.542  1.00 12.75 ? 56  LEU A CG  1 
ATOM   436  C  CD1 . LEU A 1 56  ? -19.101 -3.327  -8.804  1.00 16.94 ? 56  LEU A CD1 1 
ATOM   437  C  CD2 . LEU A 1 56  ? -20.834 -1.919  -9.954  1.00 14.66 ? 56  LEU A CD2 1 
ATOM   438  N  N   . GLN A 1 57  ? -18.276 2.790   -8.687  1.00 13.34 ? 57  GLN A N   1 
ATOM   439  C  CA  . GLN A 1 57  ? -18.474 4.079   -8.014  1.00 10.72 ? 57  GLN A CA  1 
ATOM   440  C  C   . GLN A 1 57  ? -18.613 3.929   -6.492  1.00 12.68 ? 57  GLN A C   1 
ATOM   441  O  O   . GLN A 1 57  ? -19.595 4.353   -5.873  1.00 13.83 ? 57  GLN A O   1 
ATOM   442  C  CB  . GLN A 1 57  ? -19.663 4.816   -8.615  1.00 10.51 ? 57  GLN A CB  1 
ATOM   443  C  CG  . GLN A 1 57  ? -19.352 5.271   -10.050 1.00 10.83 ? 57  GLN A CG  1 
ATOM   444  C  CD  . GLN A 1 57  ? -18.337 6.400   -10.055 1.00 12.05 ? 57  GLN A CD  1 
ATOM   445  O  OE1 . GLN A 1 57  ? -18.695 7.566   -9.874  1.00 13.95 ? 57  GLN A OE1 1 
ATOM   446  N  NE2 . GLN A 1 57  ? -17.058 6.055   -10.252 1.00 11.52 ? 57  GLN A NE2 1 
ATOM   447  N  N   . ILE A 1 58  ? -17.604 3.309   -5.924  1.00 10.68 ? 58  ILE A N   1 
ATOM   448  C  CA  . ILE A 1 58  ? -17.556 3.018   -4.491  1.00 13.12 ? 58  ILE A CA  1 
ATOM   449  C  C   . ILE A 1 58  ? -17.096 4.256   -3.736  1.00 13.79 ? 58  ILE A C   1 
ATOM   450  O  O   . ILE A 1 58  ? -16.111 4.920   -4.094  1.00 12.23 ? 58  ILE A O   1 
ATOM   451  C  CB  . ILE A 1 58  ? -16.642 1.816   -4.247  1.00 13.40 ? 58  ILE A CB  1 
ATOM   452  C  CG1 . ILE A 1 58  ? -17.338 0.574   -4.845  1.00 15.20 ? 58  ILE A CG1 1 
ATOM   453  C  CG2 . ILE A 1 58  ? -16.321 1.648   -2.764  1.00 17.69 ? 58  ILE A CG2 1 
ATOM   454  C  CD1 . ILE A 1 58  ? -16.524 -0.679  -4.766  1.00 19.01 ? 58  ILE A CD1 1 
ATOM   455  N  N   . ASN A 1 59  ? -17.795 4.549   -2.647  1.00 13.10 ? 59  ASN A N   1 
ATOM   456  C  CA  . ASN A 1 59  ? -17.692 5.848   -2.015  1.00 13.79 ? 59  ASN A CA  1 
ATOM   457  C  C   . ASN A 1 59  ? -16.655 5.889   -0.889  1.00 13.07 ? 59  ASN A C   1 
ATOM   458  O  O   . ASN A 1 59  ? -16.463 4.921   -0.137  1.00 18.21 ? 59  ASN A O   1 
ATOM   459  C  CB  . ASN A 1 59  ? -19.072 6.237   -1.482  1.00 18.16 ? 59  ASN A CB  1 
ATOM   460  C  CG  . ASN A 1 59  ? -19.127 7.642   -0.967  1.00 18.42 ? 59  ASN A CG  1 
ATOM   461  O  OD1 . ASN A 1 59  ? -19.116 7.857   0.245   1.00 24.06 ? 59  ASN A OD1 1 
ATOM   462  N  ND2 . ASN A 1 59  ? -19.230 8.603   -1.861  1.00 26.44 ? 59  ASN A ND2 1 
ATOM   463  N  N   . SER A 1 60  ? -16.025 7.061   -0.744  1.00 12.82 ? 60  SER A N   1 
ATOM   464  C  CA  . SER A 1 60  ? -14.963 7.298   0.230   1.00 14.51 ? 60  SER A CA  1 
ATOM   465  C  C   . SER A 1 60  ? -15.476 7.621   1.628   1.00 16.60 ? 60  SER A C   1 
ATOM   466  O  O   . SER A 1 60  ? -14.645 7.757   2.532   1.00 22.51 ? 60  SER A O   1 
ATOM   467  C  CB  . SER A 1 60  ? -14.067 8.444   -0.251  1.00 13.48 ? 60  SER A CB  1 
ATOM   468  O  OG  . SER A 1 60  ? -14.784 9.662   -0.319  1.00 13.50 ? 60  SER A OG  1 
ATOM   469  N  N   . ARG A 1 61  ? -16.790 7.778   1.824   1.00 15.49 ? 61  ARG A N   1 
ATOM   470  C  CA  . ARG A 1 61  ? -17.303 8.039   3.184   1.00 18.58 ? 61  ARG A CA  1 
ATOM   471  C  C   . ARG A 1 61  ? -17.291 6.786   4.043   1.00 25.38 ? 61  ARG A C   1 
ATOM   472  O  O   . ARG A 1 61  ? -17.078 6.879   5.253   1.00 24.81 ? 61  ARG A O   1 
ATOM   473  C  CB  . ARG A 1 61  ? -18.724 8.605   3.144   1.00 26.30 ? 61  ARG A CB  1 
ATOM   474  C  CG  . ARG A 1 61  ? -19.353 8.884   4.550   1.00 27.96 ? 61  ARG A CG  1 
ATOM   475  C  CD  . ARG A 1 61  ? -19.927 10.293  4.674   1.00 29.86 ? 61  ARG A CD  1 
ATOM   476  N  NE  . ARG A 1 61  ? -19.025 11.285  4.097   1.00 43.27 ? 61  ARG A NE  1 
ATOM   477  C  CZ  . ARG A 1 61  ? -19.150 12.600  4.228   1.00 35.54 ? 61  ARG A CZ  1 
ATOM   478  N  NH1 . ARG A 1 61  ? -20.144 13.138  4.919   1.00 40.16 ? 61  ARG A NH1 1 
ATOM   479  N  NH2 . ARG A 1 61  ? -18.254 13.395  3.653   1.00 39.92 ? 61  ARG A NH2 1 
ATOM   480  N  N   . TRP A 1 62  ? -17.531 5.616   3.453   1.00 16.10 ? 62  TRP A N   1 
ATOM   481  C  CA  . TRP A 1 62  ? -17.541 4.366   4.200   1.00 14.87 ? 62  TRP A CA  1 
ATOM   482  C  C   . TRP A 1 62  ? -16.510 3.345   3.771   1.00 15.25 ? 62  TRP A C   1 
ATOM   483  O  O   . TRP A 1 62  ? -16.031 2.579   4.611   1.00 15.45 ? 62  TRP A O   1 
ATOM   484  C  CB  . TRP A 1 62  ? -18.917 3.678   4.101   1.00 18.30 ? 62  TRP A CB  1 
ATOM   485  C  CG  . TRP A 1 62  ? -19.988 4.444   4.778   1.00 26.55 ? 62  TRP A CG  1 
ATOM   486  C  CD1 . TRP A 1 62  ? -20.853 5.320   4.202   1.00 27.76 ? 62  TRP A CD1 1 
ATOM   487  C  CD2 . TRP A 1 62  ? -20.271 4.454   6.182   1.00 33.70 ? 62  TRP A CD2 1 
ATOM   488  N  NE1 . TRP A 1 62  ? -21.689 5.855   5.161   1.00 37.84 ? 62  TRP A NE1 1 
ATOM   489  C  CE2 . TRP A 1 62  ? -21.350 5.334   6.383   1.00 32.75 ? 62  TRP A CE2 1 
ATOM   490  C  CE3 . TRP A 1 62  ? -19.726 3.787   7.285   1.00 33.53 ? 62  TRP A CE3 1 
ATOM   491  C  CZ2 . TRP A 1 62  ? -21.892 5.576   7.646   1.00 31.44 ? 62  TRP A CZ2 1 
ATOM   492  C  CZ3 . TRP A 1 62  ? -20.271 4.021   8.540   1.00 43.09 ? 62  TRP A CZ3 1 
ATOM   493  C  CH2 . TRP A 1 62  ? -21.343 4.908   8.707   1.00 39.93 ? 62  TRP A CH2 1 
ATOM   494  N  N   . TRP A 1 63  ? -16.153 3.281   2.489   1.00 13.69 ? 63  TRP A N   1 
ATOM   495  C  CA  . TRP A 1 63  ? -15.561 2.054   1.971   1.00 13.30 ? 63  TRP A CA  1 
ATOM   496  C  C   . TRP A 1 63  ? -14.083 2.132   1.635   1.00 12.53 ? 63  TRP A C   1 
ATOM   497  O  O   . TRP A 1 63  ? -13.387 1.144   1.799   1.00 13.69 ? 63  TRP A O   1 
ATOM   498  C  CB  . TRP A 1 63  ? -16.343 1.582   0.732   1.00 12.86 ? 63  TRP A CB  1 
ATOM   499  C  CG  . TRP A 1 63  ? -17.782 1.439   1.067   1.00 12.18 ? 63  TRP A CG  1 
ATOM   500  C  CD1 . TRP A 1 63  ? -18.799 2.237   0.657   1.00 15.16 ? 63  TRP A CD1 1 
ATOM   501  C  CD2 . TRP A 1 63  ? -18.352 0.472   1.956   1.00 13.85 ? 63  TRP A CD2 1 
ATOM   502  N  NE1 . TRP A 1 63  ? -19.983 1.821   1.225   1.00 18.67 ? 63  TRP A NE1 1 
ATOM   503  C  CE2 . TRP A 1 63  ? -19.730 0.740   2.029   1.00 15.39 ? 63  TRP A CE2 1 
ATOM   504  C  CE3 . TRP A 1 63  ? -17.832 -0.604  2.678   1.00 15.97 ? 63  TRP A CE3 1 
ATOM   505  C  CZ2 . TRP A 1 63  ? -20.607 -0.048  2.794   1.00 15.26 ? 63  TRP A CZ2 1 
ATOM   506  C  CZ3 . TRP A 1 63  ? -18.694 -1.369  3.454   1.00 15.76 ? 63  TRP A CZ3 1 
ATOM   507  C  CH2 . TRP A 1 63  ? -20.069 -1.088  3.491   1.00 15.87 ? 63  TRP A CH2 1 
ATOM   508  N  N   . CYS A 1 64  ? -13.573 3.263   1.149   1.00 13.75 ? 64  CYS A N   1 
ATOM   509  C  CA  . CYS A 1 64  ? -12.160 3.371   0.802   1.00 11.16 ? 64  CYS A CA  1 
ATOM   510  C  C   . CYS A 1 64  ? -11.616 4.674   1.360   1.00 13.63 ? 64  CYS A C   1 
ATOM   511  O  O   . CYS A 1 64  ? -12.368 5.586   1.705   1.00 13.73 ? 64  CYS A O   1 
ATOM   512  C  CB  . CYS A 1 64  ? -11.938 3.286   -0.734  1.00 12.20 ? 64  CYS A CB  1 
ATOM   513  S  SG  . CYS A 1 64  ? -12.743 4.591   -1.673  1.00 13.69 ? 64  CYS A SG  1 
ATOM   514  N  N   . ASN A 1 65  ? -10.290 4.776   1.437   1.00 12.64 ? 65  ASN A N   1 
ATOM   515  C  CA  . ASN A 1 65  ? -9.678  5.985   1.962   1.00 10.92 ? 65  ASN A CA  1 
ATOM   516  C  C   . ASN A 1 65  ? -9.145  6.848   0.830   1.00 11.22 ? 65  ASN A C   1 
ATOM   517  O  O   . ASN A 1 65  ? -8.309  6.388   0.039   1.00 13.36 ? 65  ASN A O   1 
ATOM   518  C  CB  . ASN A 1 65  ? -8.527  5.681   2.901   1.00 14.22 ? 65  ASN A CB  1 
ATOM   519  C  CG  . ASN A 1 65  ? -7.852  6.948   3.324   1.00 18.20 ? 65  ASN A CG  1 
ATOM   520  O  OD1 . ASN A 1 65  ? -8.506  7.835   3.854   1.00 17.69 ? 65  ASN A OD1 1 
ATOM   521  N  ND2 . ASN A 1 65  ? -6.562  7.074   3.025   1.00 23.06 ? 65  ASN A ND2 1 
ATOM   522  N  N   . ASP A 1 66  ? -9.608  8.109   0.762   1.00 12.00 ? 66  ASP A N   1 
ATOM   523  C  CA  . ASP A 1 66  ? -9.009  9.054   -0.179  1.00 11.80 ? 66  ASP A CA  1 
ATOM   524  C  C   . ASP A 1 66  ? -8.361  10.263  0.495   1.00 13.26 ? 66  ASP A C   1 
ATOM   525  O  O   . ASP A 1 66  ? -7.898  11.163  -0.214  1.00 13.68 ? 66  ASP A O   1 
ATOM   526  C  CB  . ASP A 1 66  ? -10.027 9.513   -1.243  1.00 11.72 ? 66  ASP A CB  1 
ATOM   527  C  CG  . ASP A 1 66  ? -11.137 10.394  -0.693  1.00 12.67 ? 66  ASP A CG  1 
ATOM   528  O  OD1 . ASP A 1 66  ? -11.151 10.765  0.504   1.00 12.88 ? 66  ASP A OD1 1 
ATOM   529  O  OD2 . ASP A 1 66  ? -12.044 10.736  -1.482  1.00 11.74 ? 66  ASP A OD2 1 
ATOM   530  N  N   . GLY A 1 67  ? -8.259  10.276  1.823   1.00 14.05 ? 67  GLY A N   1 
ATOM   531  C  CA  . GLY A 1 67  ? -7.573  11.318  2.559   1.00 14.10 ? 67  GLY A CA  1 
ATOM   532  C  C   . GLY A 1 67  ? -8.245  12.667  2.594   1.00 16.59 ? 67  GLY A C   1 
ATOM   533  O  O   . GLY A 1 67  ? -7.707  13.587  3.223   1.00 20.64 ? 67  GLY A O   1 
ATOM   534  N  N   . ARG A 1 68  ? -9.416  12.823  1.985   1.00 12.87 ? 68  ARG A N   1 
ATOM   535  C  CA  . ARG A 1 68  ? -10.079 14.119  1.942   1.00 13.19 ? 68  ARG A CA  1 
ATOM   536  C  C   . ARG A 1 68  ? -11.563 14.038  2.289   1.00 14.37 ? 68  ARG A C   1 
ATOM   537  O  O   . ARG A 1 68  ? -12.321 14.942  1.929   1.00 19.52 ? 68  ARG A O   1 
ATOM   538  C  CB  . ARG A 1 68  ? -9.891  14.762  0.568   1.00 12.19 ? 68  ARG A CB  1 
ATOM   539  C  CG  . ARG A 1 68  ? -10.602 14.030  -0.542  1.00 13.36 ? 68  ARG A CG  1 
ATOM   540  C  CD  . ARG A 1 68  ? -10.524 14.904  -1.760  1.00 15.14 ? 68  ARG A CD  1 
ATOM   541  N  NE  . ARG A 1 68  ? -11.485 14.468  -2.766  1.00 12.63 ? 68  ARG A NE  1 
ATOM   542  C  CZ  . ARG A 1 68  ? -11.518 14.910  -4.020  1.00 14.41 ? 68  ARG A CZ  1 
ATOM   543  N  NH1 . ARG A 1 68  ? -10.643 15.803  -4.465  1.00 18.02 ? 68  ARG A NH1 1 
ATOM   544  N  NH2 . ARG A 1 68  ? -12.461 14.451  -4.846  1.00 13.36 ? 68  ARG A NH2 1 
ATOM   545  N  N   . THR A 1 69  ? -11.997 12.983  2.971   1.00 15.29 ? 69  THR A N   1 
ATOM   546  C  CA  . THR A 1 69  ? -13.409 12.789  3.306   1.00 15.10 ? 69  THR A CA  1 
ATOM   547  C  C   . THR A 1 69  ? -13.556 12.746  4.821   1.00 14.00 ? 69  THR A C   1 
ATOM   548  O  O   . THR A 1 69  ? -13.358 11.685  5.428   1.00 18.20 ? 69  THR A O   1 
ATOM   549  C  CB  . THR A 1 69  ? -13.946 11.513  2.659   1.00 17.11 ? 69  THR A CB  1 
ATOM   550  O  OG1 . THR A 1 69  ? -13.635 11.526  1.241   1.00 14.62 ? 69  THR A OG1 1 
ATOM   551  C  CG2 . THR A 1 69  ? -15.465 11.374  2.847   1.00 15.44 ? 69  THR A CG2 1 
ATOM   552  N  N   . PRO A 1 70  ? -13.859 13.868  5.461   1.00 20.07 ? 70  PRO A N   1 
ATOM   553  C  CA  . PRO A 1 70  ? -13.906 13.897  6.929   1.00 23.70 ? 70  PRO A CA  1 
ATOM   554  C  C   . PRO A 1 70  ? -14.888 12.887  7.497   1.00 27.75 ? 70  PRO A C   1 
ATOM   555  O  O   . PRO A 1 70  ? -15.896 12.535  6.878   1.00 33.03 ? 70  PRO A O   1 
ATOM   556  C  CB  . PRO A 1 70  ? -14.345 15.334  7.229   1.00 34.20 ? 70  PRO A CB  1 
ATOM   557  C  CG  . PRO A 1 70  ? -13.804 16.110  6.055   1.00 34.32 ? 70  PRO A CG  1 
ATOM   558  C  CD  . PRO A 1 70  ? -14.097 15.203  4.890   1.00 30.21 ? 70  PRO A CD  1 
ATOM   559  N  N   . GLY A 1 71  ? -14.560 12.399  8.692   1.00 26.54 ? 71  GLY A N   1 
ATOM   560  C  CA  . GLY A 1 71  ? -15.441 11.488  9.390   1.00 35.88 ? 71  GLY A CA  1 
ATOM   561  C  C   . GLY A 1 71  ? -15.659 10.196  8.665   1.00 28.56 ? 71  GLY A C   1 
ATOM   562  O  O   . GLY A 1 71  ? -16.611 9.474   8.968   1.00 42.90 ? 71  GLY A O   1 
ATOM   563  N  N   . SER A 1 72  ? -14.799 9.879   7.707   1.00 29.62 ? 72  SER A N   1 
ATOM   564  C  CA  . SER A 1 72  ? -15.026 8.736   6.855   1.00 35.41 ? 72  SER A CA  1 
ATOM   565  C  C   . SER A 1 72  ? -14.386 7.486   7.432   1.00 38.52 ? 72  SER A C   1 
ATOM   566  O  O   . SER A 1 72  ? -13.455 7.533   8.246   1.00 31.09 ? 72  SER A O   1 
ATOM   567  C  CB  . SER A 1 72  ? -14.517 9.001   5.431   1.00 22.86 ? 72  SER A CB  1 
ATOM   568  O  OG  . SER A 1 72  ? -13.112 8.946   5.343   1.00 27.63 ? 72  SER A OG  1 
ATOM   569  N  N   . ARG A 1 73  ? -14.939 6.359   7.029   1.00 25.07 ? 73  ARG A N   1 
ATOM   570  C  CA  . ARG A 1 73  ? -14.368 5.063   7.307   1.00 21.61 ? 73  ARG A CA  1 
ATOM   571  C  C   . ARG A 1 73  ? -13.739 4.530   6.018   1.00 24.94 ? 73  ARG A C   1 
ATOM   572  O  O   . ARG A 1 73  ? -13.827 5.142   4.944   1.00 30.50 ? 73  ARG A O   1 
ATOM   573  C  CB  . ARG A 1 73  ? -15.455 4.120   7.836   1.00 23.58 ? 73  ARG A CB  1 
ATOM   574  C  CG  . ARG A 1 73  ? -16.202 4.657   9.058   1.00 25.73 ? 73  ARG A CG  1 
ATOM   575  C  CD  . ARG A 1 73  ? -15.401 4.485   10.353  1.00 31.84 ? 73  ARG A CD  1 
ATOM   576  N  NE  . ARG A 1 73  ? -15.298 3.090   10.766  1.00 39.34 ? 73  ARG A NE  1 
ATOM   577  C  CZ  . ARG A 1 73  ? -16.157 2.478   11.570  1.00 33.27 ? 73  ARG A CZ  1 
ATOM   578  N  NH1 . ARG A 1 73  ? -17.174 3.126   12.117  1.00 42.01 ? 73  ARG A NH1 1 
ATOM   579  N  NH2 . ARG A 1 73  ? -15.996 1.182   11.825  1.00 37.31 ? 73  ARG A NH2 1 
ATOM   580  N  N   . ASN A 1 74  ? -13.097 3.379   6.146   1.00 21.67 ? 74  ASN A N   1 
ATOM   581  C  CA  . ASN A 1 74  ? -12.343 2.714   5.104   1.00 16.00 ? 74  ASN A CA  1 
ATOM   582  C  C   . ASN A 1 74  ? -12.581 1.223   5.336   1.00 17.26 ? 74  ASN A C   1 
ATOM   583  O  O   . ASN A 1 74  ? -11.669 0.458   5.657   1.00 16.65 ? 74  ASN A O   1 
ATOM   584  C  CB  . ASN A 1 74  ? -10.856 3.081   5.159   1.00 16.01 ? 74  ASN A CB  1 
ATOM   585  C  CG  . ASN A 1 74  ? -10.019 2.335   4.147   1.00 17.44 ? 74  ASN A CG  1 
ATOM   586  O  OD1 . ASN A 1 74  ? -10.542 1.735   3.199   1.00 15.78 ? 74  ASN A OD1 1 
ATOM   587  N  ND2 . ASN A 1 74  ? -8.703  2.358   4.336   1.00 18.24 ? 74  ASN A ND2 1 
ATOM   588  N  N   . LEU A 1 75  ? -13.844 0.809   5.170   1.00 14.33 ? 75  LEU A N   1 
ATOM   589  C  CA  . LEU A 1 75  ? -14.222 -0.533  5.605   1.00 15.45 ? 75  LEU A CA  1 
ATOM   590  C  C   . LEU A 1 75  ? -13.703 -1.613  4.672   1.00 16.91 ? 75  LEU A C   1 
ATOM   591  O  O   . LEU A 1 75  ? -13.603 -2.773  5.086   1.00 18.19 ? 75  LEU A O   1 
ATOM   592  C  CB  . LEU A 1 75  ? -15.738 -0.639  5.770   1.00 16.96 ? 75  LEU A CB  1 
ATOM   593  C  CG  . LEU A 1 75  ? -16.308 0.217   6.910   1.00 18.25 ? 75  LEU A CG  1 
ATOM   594  C  CD1 . LEU A 1 75  ? -17.826 0.311   6.798   1.00 24.51 ? 75  LEU A CD1 1 
ATOM   595  C  CD2 . LEU A 1 75  ? -15.832 -0.246  8.301   1.00 21.90 ? 75  LEU A CD2 1 
ATOM   596  N  N   . CYS A 1 76  ? -13.333 -1.260  3.437   1.00 14.37 ? 76  CYS A N   1 
ATOM   597  C  CA  . CYS A 1 76  ? -12.695 -2.188  2.515   1.00 14.57 ? 76  CYS A CA  1 
ATOM   598  C  C   . CYS A 1 76  ? -11.181 -2.201  2.665   1.00 13.89 ? 76  CYS A C   1 
ATOM   599  O  O   . CYS A 1 76  ? -10.506 -2.984  1.982   1.00 15.44 ? 76  CYS A O   1 
ATOM   600  C  CB  . CYS A 1 76  ? -13.079 -1.842  1.060   1.00 13.63 ? 76  CYS A CB  1 
ATOM   601  S  SG  . CYS A 1 76  ? -14.828 -2.206  0.767   1.00 14.53 ? 76  CYS A SG  1 
ATOM   602  N  N   . ASN A 1 77  ? -10.640 -1.327  3.523   1.00 14.83 ? 77  ASN A N   1 
ATOM   603  C  CA  . ASN A 1 77  ? -9.210  -1.265  3.829   1.00 17.26 ? 77  ASN A CA  1 
ATOM   604  C  C   . ASN A 1 77  ? -8.395  -1.109  2.552   1.00 17.54 ? 77  ASN A C   1 
ATOM   605  O  O   . ASN A 1 77  ? -7.528  -1.916  2.236   1.00 18.71 ? 77  ASN A O   1 
ATOM   606  C  CB  . ASN A 1 77  ? -8.745  -2.497  4.610   1.00 19.47 ? 77  ASN A CB  1 
ATOM   607  C  CG  . ASN A 1 77  ? -9.573  -2.746  5.848   1.00 35.19 ? 77  ASN A CG  1 
ATOM   608  O  OD1 . ASN A 1 77  ? -9.586  -1.925  6.763   1.00 35.81 ? 77  ASN A OD1 1 
ATOM   609  N  ND2 . ASN A 1 77  ? -10.292 -3.869  5.872   1.00 36.70 ? 77  ASN A ND2 1 
ATOM   610  N  N   . ILE A 1 78  ? -8.703  -0.050  1.807   1.00 14.68 ? 78  ILE A N   1 
ATOM   611  C  CA  . ILE A 1 78  ? -8.104  0.083   0.484   1.00 19.54 ? 78  ILE A CA  1 
ATOM   612  C  C   . ILE A 1 78  ? -7.998  1.579   0.185   1.00 15.36 ? 78  ILE A C   1 
ATOM   613  O  O   . ILE A 1 78  ? -8.909  2.342   0.543   1.00 14.00 ? 78  ILE A O   1 
ATOM   614  C  CB  . ILE A 1 78  ? -8.962  -0.676  -0.548  1.00 18.25 ? 78  ILE A CB  1 
ATOM   615  C  CG1 . ILE A 1 78  ? -8.288  -0.837  -1.904  1.00 28.68 ? 78  ILE A CG1 1 
ATOM   616  C  CG2 . ILE A 1 78  ? -10.323 -0.048  -0.718  1.00 18.60 ? 78  ILE A CG2 1 
ATOM   617  C  CD1 . ILE A 1 78  ? -6.936  -1.483  -1.794  1.00 35.34 ? 78  ILE A CD1 1 
ATOM   618  N  N   . PRO A 1 79  ? -6.902  2.062   -0.407  1.00 15.07 ? 79  PRO A N   1 
ATOM   619  C  CA  . PRO A 1 79  ? -6.920  3.429   -0.943  1.00 14.24 ? 79  PRO A CA  1 
ATOM   620  C  C   . PRO A 1 79  ? -7.925  3.490   -2.078  1.00 12.99 ? 79  PRO A C   1 
ATOM   621  O  O   . PRO A 1 79  ? -8.036  2.557   -2.873  1.00 12.90 ? 79  PRO A O   1 
ATOM   622  C  CB  . PRO A 1 79  ? -5.498  3.646   -1.465  1.00 13.19 ? 79  PRO A CB  1 
ATOM   623  C  CG  . PRO A 1 79  ? -4.903  2.296   -1.585  1.00 17.25 ? 79  PRO A CG  1 
ATOM   624  C  CD  . PRO A 1 79  ? -5.600  1.404   -0.593  1.00 16.40 ? 79  PRO A CD  1 
ATOM   625  N  N   . CYS A 1 80  ? -8.662  4.593   -2.149  1.00 11.42 ? 80  CYS A N   1 
ATOM   626  C  CA  . CYS A 1 80  ? -9.657  4.700   -3.209  1.00 10.90 ? 80  CYS A CA  1 
ATOM   627  C  C   . CYS A 1 80  ? -9.022  4.606   -4.583  1.00 13.55 ? 80  CYS A C   1 
ATOM   628  O  O   . CYS A 1 80  ? -9.666  4.153   -5.538  1.00 13.02 ? 80  CYS A O   1 
ATOM   629  C  CB  . CYS A 1 80  ? -10.409 6.009   -3.090  1.00 10.53 ? 80  CYS A CB  1 
ATOM   630  S  SG  . CYS A 1 80  ? -11.402 6.139   -1.583  1.00 11.91 ? 80  CYS A SG  1 
ATOM   631  N  N   A SER A 1 81  ? -7.766  5.021   -4.716  0.88 13.09 ? 81  SER A N   1 
ATOM   632  N  N   B SER A 1 81  ? -7.762  5.026   -4.712  0.12 13.18 ? 81  SER A N   1 
ATOM   633  C  CA  A SER A 1 81  ? -7.098  4.921   -6.012  0.88 13.78 ? 81  SER A CA  1 
ATOM   634  C  CA  B SER A 1 81  ? -7.080  4.935   -5.998  0.12 13.92 ? 81  SER A CA  1 
ATOM   635  C  C   A SER A 1 81  ? -6.993  3.476   -6.487  0.88 16.16 ? 81  SER A C   1 
ATOM   636  C  C   B SER A 1 81  ? -6.931  3.498   -6.476  0.12 16.04 ? 81  SER A C   1 
ATOM   637  O  O   A SER A 1 81  ? -6.927  3.214   -7.696  0.88 15.59 ? 81  SER A O   1 
ATOM   638  O  O   B SER A 1 81  ? -6.794  3.272   -7.684  0.12 15.75 ? 81  SER A O   1 
ATOM   639  C  CB  A SER A 1 81  ? -5.711  5.559   -5.911  0.88 18.27 ? 81  SER A CB  1 
ATOM   640  C  CB  B SER A 1 81  ? -5.709  5.605   -5.912  0.12 17.99 ? 81  SER A CB  1 
ATOM   641  O  OG  A SER A 1 81  ? -4.905  4.861   -4.983  0.88 16.61 ? 81  SER A OG  1 
ATOM   642  O  OG  B SER A 1 81  ? -5.844  6.994   -5.680  0.12 15.46 ? 81  SER A OG  1 
ATOM   643  N  N   . ALA A 1 82  ? -6.956  2.522   -5.567  1.00 13.19 ? 82  ALA A N   1 
ATOM   644  C  CA  . ALA A 1 82  ? -6.913  1.128   -6.000  1.00 15.05 ? 82  ALA A CA  1 
ATOM   645  C  C   . ALA A 1 82  ? -8.187  0.701   -6.697  1.00 21.06 ? 82  ALA A C   1 
ATOM   646  O  O   . ALA A 1 82  ? -8.187  -0.327  -7.391  1.00 21.28 ? 82  ALA A O   1 
ATOM   647  C  CB  . ALA A 1 82  ? -6.645  0.207   -4.812  1.00 19.89 ? 82  ALA A CB  1 
ATOM   648  N  N   . LEU A 1 83  ? -9.263  1.460   -6.553  1.00 16.40 ? 83  LEU A N   1 
ATOM   649  C  CA  . LEU A 1 83  ? -10.491 1.132   -7.251  1.00 16.26 ? 83  LEU A CA  1 
ATOM   650  C  C   . LEU A 1 83  ? -10.527 1.689   -8.673  1.00 16.41 ? 83  LEU A C   1 
ATOM   651  O  O   . LEU A 1 83  ? -11.550 1.562   -9.351  1.00 17.00 ? 83  LEU A O   1 
ATOM   652  C  CB  . LEU A 1 83  ? -11.689 1.628   -6.442  1.00 15.10 ? 83  LEU A CB  1 
ATOM   653  C  CG  . LEU A 1 83  ? -11.713 1.240   -4.959  1.00 15.08 ? 83  LEU A CG  1 
ATOM   654  C  CD1 . LEU A 1 83  ? -12.932 1.863   -4.277  1.00 19.91 ? 83  LEU A CD1 1 
ATOM   655  C  CD2 . LEU A 1 83  ? -11.656 -0.290  -4.763  1.00 21.60 ? 83  LEU A CD2 1 
ATOM   656  N  N   . LEU A 1 84  ? -9.448  2.318   -9.139  1.00 15.98 ? 84  LEU A N   1 
ATOM   657  C  CA  . LEU A 1 84  ? -9.380  2.828   -10.506 1.00 14.17 ? 84  LEU A CA  1 
ATOM   658  C  C   . LEU A 1 84  ? -8.528  1.965   -11.413 1.00 14.39 ? 84  LEU A C   1 
ATOM   659  O  O   . LEU A 1 84  ? -8.374  2.281   -12.602 1.00 15.65 ? 84  LEU A O   1 
ATOM   660  C  CB  . LEU A 1 84  ? -8.833  4.253   -10.506 1.00 15.34 ? 84  LEU A CB  1 
ATOM   661  C  CG  . LEU A 1 84  ? -9.601  5.207   -9.627  1.00 13.69 ? 84  LEU A CG  1 
ATOM   662  C  CD1 . LEU A 1 84  ? -9.022  6.608   -9.770  1.00 19.03 ? 84  LEU A CD1 1 
ATOM   663  C  CD2 . LEU A 1 84  ? -11.067 5.271   -9.932  1.00 14.56 ? 84  LEU A CD2 1 
ATOM   664  N  N   A SER A 1 85  ? -7.979  0.887   -10.885 0.55 17.24 ? 85  SER A N   1 
ATOM   665  N  N   B SER A 1 85  ? -7.976  0.881   -10.888 0.45 17.24 ? 85  SER A N   1 
ATOM   666  C  CA  A SER A 1 85  ? -7.076  0.044   -11.641 0.55 14.70 ? 85  SER A CA  1 
ATOM   667  C  CA  B SER A 1 85  ? -7.083  0.015   -11.636 0.45 14.75 ? 85  SER A CA  1 
ATOM   668  C  C   A SER A 1 85  ? -7.797  -0.658  -12.786 0.55 17.93 ? 85  SER A C   1 
ATOM   669  C  C   B SER A 1 85  ? -7.801  -0.658  -12.802 0.45 17.94 ? 85  SER A C   1 
ATOM   670  O  O   A SER A 1 85  ? -9.010  -0.883  -12.746 0.55 18.29 ? 85  SER A O   1 
ATOM   671  O  O   B SER A 1 85  ? -9.019  -0.853  -12.792 0.45 18.29 ? 85  SER A O   1 
ATOM   672  C  CB  A SER A 1 85  ? -6.460  -0.993  -10.717 0.55 16.97 ? 85  SER A CB  1 
ATOM   673  C  CB  B SER A 1 85  ? -6.511  -1.055  -10.713 0.45 16.90 ? 85  SER A CB  1 
ATOM   674  O  OG  A SER A 1 85  ? -5.827  -1.998  -11.469 0.55 14.78 ? 85  SER A OG  1 
ATOM   675  O  OG  B SER A 1 85  ? -7.515  -1.542  -9.836  0.45 16.40 ? 85  SER A OG  1 
ATOM   676  N  N   A SER A 1 86  ? -7.025  -1.029  -13.814 0.55 16.87 ? 86  SER A N   1 
ATOM   677  N  N   B SER A 1 86  ? -7.015  -1.042  -13.815 0.45 16.89 ? 86  SER A N   1 
ATOM   678  C  CA  A SER A 1 86  ? -7.567  -1.842  -14.899 0.55 16.34 ? 86  SER A CA  1 
ATOM   679  C  CA  B SER A 1 86  ? -7.548  -1.849  -14.908 0.45 16.36 ? 86  SER A CA  1 
ATOM   680  C  C   A SER A 1 86  ? -7.950  -3.242  -14.436 0.55 17.40 ? 86  SER A C   1 
ATOM   681  C  C   B SER A 1 86  ? -7.937  -3.249  -14.447 0.45 17.40 ? 86  SER A C   1 
ATOM   682  O  O   A SER A 1 86  ? -8.754  -3.904  -15.100 0.55 21.55 ? 86  SER A O   1 
ATOM   683  O  O   B SER A 1 86  ? -8.732  -3.914  -15.118 0.45 21.52 ? 86  SER A O   1 
ATOM   684  C  CB  A SER A 1 86  ? -6.560  -1.933  -16.050 0.55 20.08 ? 86  SER A CB  1 
ATOM   685  C  CB  B SER A 1 86  ? -6.529  -1.943  -16.050 0.45 20.04 ? 86  SER A CB  1 
ATOM   686  O  OG  A SER A 1 86  ? -6.314  -0.654  -16.601 0.55 25.07 ? 86  SER A OG  1 
ATOM   687  O  OG  B SER A 1 86  ? -5.273  -2.401  -15.582 0.45 17.95 ? 86  SER A OG  1 
ATOM   688  N  N   . ASP A 1 87  ? -7.384  -3.702  -13.325 1.00 16.85 ? 87  ASP A N   1 
ATOM   689  C  CA  . ASP A 1 87  ? -7.739  -4.968  -12.698 1.00 17.44 ? 87  ASP A CA  1 
ATOM   690  C  C   . ASP A 1 87  ? -8.870  -4.703  -11.704 1.00 18.36 ? 87  ASP A C   1 
ATOM   691  O  O   . ASP A 1 87  ? -8.699  -3.925  -10.765 1.00 16.60 ? 87  ASP A O   1 
ATOM   692  C  CB  . ASP A 1 87  ? -6.492  -5.524  -11.999 1.00 17.81 ? 87  ASP A CB  1 
ATOM   693  C  CG  . ASP A 1 87  ? -6.713  -6.872  -11.308 1.00 28.58 ? 87  ASP A CG  1 
ATOM   694  O  OD1 . ASP A 1 87  ? -7.833  -7.163  -10.846 1.00 21.11 ? 87  ASP A OD1 1 
ATOM   695  O  OD2 . ASP A 1 87  ? -5.735  -7.645  -11.179 1.00 30.67 ? 87  ASP A OD2 1 
ATOM   696  N  N   . ILE A 1 88  ? -10.023 -5.338  -11.897 1.00 14.85 ? 88  ILE A N   1 
ATOM   697  C  CA  . ILE A 1 88  ? -11.188 -5.005  -11.082 1.00 13.40 ? 88  ILE A CA  1 
ATOM   698  C  C   . ILE A 1 88  ? -11.271 -5.757  -9.751  1.00 12.24 ? 88  ILE A C   1 
ATOM   699  O  O   . ILE A 1 88  ? -12.261 -5.610  -9.030  1.00 13.99 ? 88  ILE A O   1 
ATOM   700  C  CB  . ILE A 1 88  ? -12.497 -5.205  -11.874 1.00 12.24 ? 88  ILE A CB  1 
ATOM   701  C  CG1 . ILE A 1 88  ? -12.799 -6.692  -12.108 1.00 13.44 ? 88  ILE A CG1 1 
ATOM   702  C  CG2 . ILE A 1 88  ? -12.433 -4.432  -13.203 1.00 16.03 ? 88  ILE A CG2 1 
ATOM   703  C  CD1 . ILE A 1 88  ? -14.256 -6.937  -12.537 1.00 18.24 ? 88  ILE A CD1 1 
ATOM   704  N  N   . THR A 1 89  ? -10.233 -6.525  -9.392  1.00 14.75 ? 89  THR A N   1 
ATOM   705  C  CA  . THR A 1 89  ? -10.257 -7.324  -8.168  1.00 14.43 ? 89  THR A CA  1 
ATOM   706  C  C   . THR A 1 89  ? -10.661 -6.502  -6.939  1.00 14.32 ? 89  THR A C   1 
ATOM   707  O  O   . THR A 1 89  ? -11.544 -6.894  -6.165  1.00 14.38 ? 89  THR A O   1 
ATOM   708  C  CB  . THR A 1 89  ? -8.880  -7.965  -7.958  1.00 17.03 ? 89  THR A CB  1 
ATOM   709  O  OG1 . THR A 1 89  ? -8.594  -8.820  -9.071  1.00 18.47 ? 89  THR A OG1 1 
ATOM   710  C  CG2 . THR A 1 89  ? -8.830  -8.748  -6.629  1.00 16.93 ? 89  THR A CG2 1 
ATOM   711  N  N   . ALA A 1 90  ? -10.023 -5.353  -6.738  1.00 14.16 ? 90  ALA A N   1 
ATOM   712  C  CA  . ALA A 1 90  ? -10.285 -4.588  -5.526  1.00 14.49 ? 90  ALA A CA  1 
ATOM   713  C  C   . ALA A 1 90  ? -11.716 -4.072  -5.507  1.00 13.07 ? 90  ALA A C   1 
ATOM   714  O  O   . ALA A 1 90  ? -12.397 -4.150  -4.479  1.00 13.98 ? 90  ALA A O   1 
ATOM   715  C  CB  . ALA A 1 90  ? -9.276  -3.439  -5.411  1.00 16.30 ? 90  ALA A CB  1 
ATOM   716  N  N   . SER A 1 91  ? -12.195 -3.581  -6.649  1.00 12.51 ? 91  SER A N   1 
ATOM   717  C  CA  . SER A 1 91  ? -13.580 -3.132  -6.727  1.00 13.15 ? 91  SER A CA  1 
ATOM   718  C  C   . SER A 1 91  ? -14.553 -4.267  -6.443  1.00 11.44 ? 91  SER A C   1 
ATOM   719  O  O   . SER A 1 91  ? -15.566 -4.059  -5.775  1.00 12.65 ? 91  SER A O   1 
ATOM   720  C  CB  . SER A 1 91  ? -13.866 -2.521  -8.099  1.00 15.41 ? 91  SER A CB  1 
ATOM   721  O  OG  . SER A 1 91  ? -13.330 -1.197  -8.165  1.00 13.41 ? 91  SER A OG  1 
ATOM   722  N  N   . VAL A 1 92  ? -14.286 -5.463  -6.972  1.00 12.31 ? 92  VAL A N   1 
ATOM   723  C  CA  . VAL A 1 92  ? -15.194 -6.582  -6.734  1.00 9.62  ? 92  VAL A CA  1 
ATOM   724  C  C   . VAL A 1 92  ? -15.193 -6.968  -5.269  1.00 12.78 ? 92  VAL A C   1 
ATOM   725  O  O   . VAL A 1 92  ? -16.258 -7.169  -4.668  1.00 13.27 ? 92  VAL A O   1 
ATOM   726  C  CB  . VAL A 1 92  ? -14.814 -7.773  -7.630  1.00 13.16 ? 92  VAL A CB  1 
ATOM   727  C  CG1 . VAL A 1 92  ? -15.583 -9.022  -7.192  1.00 12.89 ? 92  VAL A CG1 1 
ATOM   728  C  CG2 . VAL A 1 92  ? -15.087 -7.432  -9.109  1.00 14.19 ? 92  VAL A CG2 1 
ATOM   729  N  N   . ASN A 1 93  ? -14.003 -7.066  -4.661  1.00 12.17 ? 93  ASN A N   1 
ATOM   730  C  CA  . ASN A 1 93  ? -13.948 -7.455  -3.255  1.00 14.52 ? 93  ASN A CA  1 
ATOM   731  C  C   . ASN A 1 93  ? -14.698 -6.459  -2.390  1.00 15.36 ? 93  ASN A C   1 
ATOM   732  O  O   . ASN A 1 93  ? -15.366 -6.835  -1.408  1.00 14.49 ? 93  ASN A O   1 
ATOM   733  C  CB  . ASN A 1 93  ? -12.493 -7.543  -2.778  1.00 16.81 ? 93  ASN A CB  1 
ATOM   734  C  CG  . ASN A 1 93  ? -11.773 -8.734  -3.344  1.00 22.74 ? 93  ASN A CG  1 
ATOM   735  O  OD1 . ASN A 1 93  ? -12.394 -9.698  -3.777  1.00 28.13 ? 93  ASN A OD1 1 
ATOM   736  N  ND2 . ASN A 1 93  ? -10.444 -8.680  -3.327  1.00 27.32 ? 93  ASN A ND2 1 
ATOM   737  N  N   . CYS A 1 94  ? -14.543 -5.179  -2.703  1.00 12.25 ? 94  CYS A N   1 
ATOM   738  C  CA  . CYS A 1 94  ? -15.213 -4.158  -1.928  1.00 12.26 ? 94  CYS A CA  1 
ATOM   739  C  C   . CYS A 1 94  ? -16.715 -4.193  -2.173  1.00 14.00 ? 94  CYS A C   1 
ATOM   740  O  O   . CYS A 1 94  ? -17.488 -4.100  -1.217  1.00 12.68 ? 94  CYS A O   1 
ATOM   741  C  CB  . CYS A 1 94  ? -14.601 -2.800  -2.241  1.00 14.28 ? 94  CYS A CB  1 
ATOM   742  S  SG  . CYS A 1 94  ? -15.198 -1.509  -1.110  1.00 14.72 ? 94  CYS A SG  1 
ATOM   743  N  N   . ALA A 1 95  ? -17.141 -4.341  -3.437  1.00 13.29 ? 95  ALA A N   1 
ATOM   744  C  CA  . ALA A 1 95  ? -18.565 -4.485  -3.750  1.00 11.49 ? 95  ALA A CA  1 
ATOM   745  C  C   . ALA A 1 95  ? -19.207 -5.658  -3.018  1.00 12.22 ? 95  ALA A C   1 
ATOM   746  O  O   . ALA A 1 95  ? -20.380 -5.574  -2.628  1.00 12.68 ? 95  ALA A O   1 
ATOM   747  C  CB  . ALA A 1 95  ? -18.769 -4.663  -5.255  1.00 11.44 ? 95  ALA A CB  1 
ATOM   748  N  N   . LYS A 1 96  ? -18.480 -6.776  -2.852  1.00 11.23 ? 96  LYS A N   1 
ATOM   749  C  CA  . LYS A 1 96  ? -19.042 -7.896  -2.084  1.00 12.20 ? 96  LYS A CA  1 
ATOM   750  C  C   . LYS A 1 96  ? -19.357 -7.474  -0.654  1.00 14.61 ? 96  LYS A C   1 
ATOM   751  O  O   . LYS A 1 96  ? -20.366 -7.906  -0.073  1.00 15.30 ? 96  LYS A O   1 
ATOM   752  C  CB  . LYS A 1 96  ? -18.090 -9.096  -2.091  1.00 13.70 ? 96  LYS A CB  1 
ATOM   753  C  CG  . LYS A 1 96  ? -18.047 -9.798  -3.427  1.00 12.20 ? 96  LYS A CG  1 
ATOM   754  C  CD  . LYS A 1 96  ? -16.962 -10.870 -3.479  1.00 15.41 ? 96  LYS A CD  1 
ATOM   755  C  CE  . LYS A 1 96  ? -17.019 -11.608 -4.803  1.00 16.43 ? 96  LYS A CE  1 
ATOM   756  N  NZ  . LYS A 1 96  ? -15.920 -12.623 -4.876  1.00 20.01 ? 96  LYS A NZ  1 
ATOM   757  N  N   A LYS A 1 97  ? -18.504 -6.640  -0.060  0.39 13.65 ? 97  LYS A N   1 
ATOM   758  N  N   B LYS A 1 97  ? -18.492 -6.656  -0.056  0.61 13.61 ? 97  LYS A N   1 
ATOM   759  C  CA  A LYS A 1 97  ? -18.790 -6.160  1.287   0.39 14.81 ? 97  LYS A CA  1 
ATOM   760  C  CA  B LYS A 1 97  ? -18.778 -6.154  1.282   0.61 14.84 ? 97  LYS A CA  1 
ATOM   761  C  C   A LYS A 1 97  ? -19.968 -5.197  1.285   0.39 14.83 ? 97  LYS A C   1 
ATOM   762  C  C   B LYS A 1 97  ? -19.978 -5.217  1.267   0.61 14.82 ? 97  LYS A C   1 
ATOM   763  O  O   A LYS A 1 97  ? -20.828 -5.261  2.172   0.39 16.13 ? 97  LYS A O   1 
ATOM   764  O  O   B LYS A 1 97  ? -20.859 -5.320  2.127   0.61 16.12 ? 97  LYS A O   1 
ATOM   765  C  CB  A LYS A 1 97  ? -17.550 -5.496  1.886   0.39 14.90 ? 97  LYS A CB  1 
ATOM   766  C  CB  B LYS A 1 97  ? -17.547 -5.448  1.850   0.61 14.88 ? 97  LYS A CB  1 
ATOM   767  C  CG  A LYS A 1 97  ? -17.640 -5.273  3.392   0.39 16.47 ? 97  LYS A CG  1 
ATOM   768  C  CG  B LYS A 1 97  ? -16.390 -6.387  2.170   0.61 15.55 ? 97  LYS A CG  1 
ATOM   769  C  CD  A LYS A 1 97  ? -16.383 -4.616  3.933   0.39 17.15 ? 97  LYS A CD  1 
ATOM   770  C  CD  B LYS A 1 97  ? -15.240 -5.635  2.809   0.61 21.76 ? 97  LYS A CD  1 
ATOM   771  C  CE  A LYS A 1 97  ? -15.137 -5.432  3.622   0.39 22.39 ? 97  LYS A CE  1 
ATOM   772  C  CE  B LYS A 1 97  ? -14.180 -6.600  3.308   0.61 18.13 ? 97  LYS A CE  1 
ATOM   773  N  NZ  A LYS A 1 97  ? -15.072 -6.708  4.402   0.39 19.87 ? 97  LYS A NZ  1 
ATOM   774  N  NZ  B LYS A 1 97  ? -13.201 -5.936  4.212   0.61 30.95 ? 97  LYS A NZ  1 
ATOM   775  N  N   . ILE A 1 98  ? -20.029 -4.297  0.299   1.00 13.31 ? 98  ILE A N   1 
ATOM   776  C  CA  . ILE A 1 98  ? -21.125 -3.328  0.248   1.00 11.73 ? 98  ILE A CA  1 
ATOM   777  C  C   . ILE A 1 98  ? -22.464 -4.041  0.101   1.00 13.61 ? 98  ILE A C   1 
ATOM   778  O  O   . ILE A 1 98  ? -23.433 -3.739  0.808   1.00 13.55 ? 98  ILE A O   1 
ATOM   779  C  CB  . ILE A 1 98  ? -20.891 -2.332  -0.901  1.00 12.39 ? 98  ILE A CB  1 
ATOM   780  C  CG1 . ILE A 1 98  ? -19.590 -1.549  -0.654  1.00 12.44 ? 98  ILE A CG1 1 
ATOM   781  C  CG2 . ILE A 1 98  ? -22.103 -1.429  -1.105  1.00 12.99 ? 98  ILE A CG2 1 
ATOM   782  C  CD1 . ILE A 1 98  ? -19.143 -0.787  -1.877  1.00 14.65 ? 98  ILE A CD1 1 
ATOM   783  N  N   . VAL A 1 99  ? -22.544 -4.989  -0.829  1.00 12.95 ? 99  VAL A N   1 
ATOM   784  C  CA  . VAL A 1 99  ? -23.816 -5.658  -1.087  1.00 12.29 ? 99  VAL A CA  1 
ATOM   785  C  C   . VAL A 1 99  ? -24.243 -6.567  0.047   1.00 14.16 ? 99  VAL A C   1 
ATOM   786  O  O   . VAL A 1 99  ? -25.424 -6.944  0.112   1.00 15.54 ? 99  VAL A O   1 
ATOM   787  C  CB  . VAL A 1 99  ? -23.740 -6.437  -2.419  1.00 10.42 ? 99  VAL A CB  1 
ATOM   788  C  CG1 . VAL A 1 99  ? -22.923 -7.725  -2.312  1.00 13.33 ? 99  VAL A CG1 1 
ATOM   789  C  CG2 . VAL A 1 99  ? -25.145 -6.720  -2.955  1.00 10.63 ? 99  VAL A CG2 1 
ATOM   790  N  N   . SER A 1 100 ? -23.335 -6.874  0.971   1.00 12.23 ? 100 SER A N   1 
ATOM   791  C  CA  . SER A 1 100 ? -23.647 -7.679  2.139   1.00 15.00 ? 100 SER A CA  1 
ATOM   792  C  C   . SER A 1 100 ? -24.058 -6.839  3.344   1.00 17.66 ? 100 SER A C   1 
ATOM   793  O  O   . SER A 1 100 ? -24.359 -7.411  4.395   1.00 22.53 ? 100 SER A O   1 
ATOM   794  C  CB  . SER A 1 100 ? -22.436 -8.557  2.500   1.00 16.68 ? 100 SER A CB  1 
ATOM   795  O  OG  . SER A 1 100 ? -22.035 -9.433  1.441   1.00 18.21 ? 100 SER A OG  1 
ATOM   796  N  N   . ASP A 1 101 ? -24.090 -5.506  3.217   1.00 17.15 ? 101 ASP A N   1 
ATOM   797  C  CA  . ASP A 1 101 ? -24.240 -4.590  4.351   1.00 19.28 ? 101 ASP A CA  1 
ATOM   798  C  C   . ASP A 1 101 ? -25.669 -4.488  4.875   1.00 21.48 ? 101 ASP A C   1 
ATOM   799  O  O   . ASP A 1 101 ? -25.869 -3.948  5.968   1.00 27.78 ? 101 ASP A O   1 
ATOM   800  C  CB  . ASP A 1 101 ? -23.738 -3.195  3.952   1.00 18.22 ? 101 ASP A CB  1 
ATOM   801  C  CG  . ASP A 1 101 ? -23.567 -2.275  5.139   1.00 27.84 ? 101 ASP A CG  1 
ATOM   802  O  OD1 . ASP A 1 101 ? -22.790 -2.635  6.039   1.00 32.40 ? 101 ASP A OD1 1 
ATOM   803  O  OD2 . ASP A 1 101 ? -24.209 -1.209  5.162   1.00 30.74 ? 101 ASP A OD2 1 
ATOM   804  N  N   . GLY A 1 102 ? -26.658 -4.956  4.127   1.00 17.02 ? 102 GLY A N   1 
ATOM   805  C  CA  . GLY A 1 102 ? -28.019 -5.025  4.634   1.00 18.27 ? 102 GLY A CA  1 
ATOM   806  C  C   . GLY A 1 102 ? -29.089 -4.673  3.619   1.00 18.84 ? 102 GLY A C   1 
ATOM   807  O  O   . GLY A 1 102 ? -30.183 -5.252  3.643   1.00 18.27 ? 102 GLY A O   1 
ATOM   808  N  N   . ASN A 1 103 ? -28.806 -3.723  2.729   1.00 14.73 ? 103 ASN A N   1 
ATOM   809  C  CA  . ASN A 1 103 ? -29.790 -3.269  1.749   1.00 13.88 ? 103 ASN A CA  1 
ATOM   810  C  C   . ASN A 1 103 ? -29.505 -3.782  0.351   1.00 11.74 ? 103 ASN A C   1 
ATOM   811  O  O   . ASN A 1 103 ? -30.122 -3.315  -0.618  1.00 11.13 ? 103 ASN A O   1 
ATOM   812  C  CB  . ASN A 1 103 ? -29.878 -1.746  1.751   1.00 16.78 ? 103 ASN A CB  1 
ATOM   813  C  CG  . ASN A 1 103 ? -30.329 -1.216  3.086   1.00 18.29 ? 103 ASN A CG  1 
ATOM   814  O  OD1 . ASN A 1 103 ? -31.216 -1.792  3.725   1.00 23.91 ? 103 ASN A OD1 1 
ATOM   815  N  ND2 . ASN A 1 103 ? -29.689 -0.140  3.545   1.00 26.50 ? 103 ASN A ND2 1 
ATOM   816  N  N   . GLY A 1 104 ? -28.621 -4.767  0.234   1.00 13.37 ? 104 GLY A N   1 
ATOM   817  C  CA  . GLY A 1 104 ? -28.358 -5.389  -1.045  1.00 11.74 ? 104 GLY A CA  1 
ATOM   818  C  C   . GLY A 1 104 ? -27.880 -4.358  -2.041  1.00 11.21 ? 104 GLY A C   1 
ATOM   819  O  O   . GLY A 1 104 ? -27.126 -3.437  -1.705  1.00 11.26 ? 104 GLY A O   1 
ATOM   820  N  N   . MET A 1 105 ? -28.374 -4.468  -3.265  1.00 10.39 ? 105 MET A N   1 
ATOM   821  C  CA  . MET A 1 105 ? -27.789 -3.639  -4.295  1.00 9.74  ? 105 MET A CA  1 
ATOM   822  C  C   . MET A 1 105 ? -28.402 -2.234  -4.260  1.00 11.07 ? 105 MET A C   1 
ATOM   823  O  O   . MET A 1 105 ? -27.983 -1.367  -5.031  1.00 10.97 ? 105 MET A O   1 
ATOM   824  C  CB  . MET A 1 105 ? -28.032 -4.274  -5.652  1.00 11.02 ? 105 MET A CB  1 
ATOM   825  C  CG  . MET A 1 105 ? -26.792 -5.065  -6.053  1.00 10.73 ? 105 MET A CG  1 
ATOM   826  S  SD  . MET A 1 105 ? -26.704 -5.760  -7.704  1.00 10.96 ? 105 MET A SD  1 
ATOM   827  C  CE  . MET A 1 105 ? -25.834 -4.373  -8.404  1.00 11.44 ? 105 MET A CE  1 
ATOM   828  N  N   . ASN A 1 106 ? -29.403 -1.987  -3.395  1.00 10.51 ? 106 ASN A N   1 
ATOM   829  C  CA  . ASN A 1 106 ? -29.942 -0.630  -3.257  1.00 9.57  ? 106 ASN A CA  1 
ATOM   830  C  C   . ASN A 1 106 ? -28.886 0.340   -2.753  1.00 11.64 ? 106 ASN A C   1 
ATOM   831  O  O   . ASN A 1 106 ? -29.084 1.559   -2.852  1.00 13.67 ? 106 ASN A O   1 
ATOM   832  C  CB  . ASN A 1 106 ? -31.141 -0.627  -2.306  1.00 10.52 ? 106 ASN A CB  1 
ATOM   833  C  CG  . ASN A 1 106 ? -32.303 -1.440  -2.831  1.00 12.08 ? 106 ASN A CG  1 
ATOM   834  O  OD1 . ASN A 1 106 ? -32.993 -1.041  -3.777  1.00 12.42 ? 106 ASN A OD1 1 
ATOM   835  N  ND2 . ASN A 1 106 ? -32.550 -2.591  -2.200  1.00 11.70 ? 106 ASN A ND2 1 
ATOM   836  N  N   . ALA A 1 107 ? -27.752 -0.176  -2.255  1.00 10.74 ? 107 ALA A N   1 
ATOM   837  C  CA  . ALA A 1 107 ? -26.624 0.687   -1.897  1.00 10.81 ? 107 ALA A CA  1 
ATOM   838  C  C   . ALA A 1 107 ? -26.158 1.522   -3.077  1.00 14.07 ? 107 ALA A C   1 
ATOM   839  O  O   . ALA A 1 107 ? -25.632 2.628   -2.872  1.00 14.71 ? 107 ALA A O   1 
ATOM   840  C  CB  . ALA A 1 107 ? -25.473 -0.148  -1.346  1.00 13.52 ? 107 ALA A CB  1 
ATOM   841  N  N   . TRP A 1 108 ? -26.310 1.004   -4.308  1.00 11.67 ? 108 TRP A N   1 
ATOM   842  C  CA  . TRP A 1 108 ? -26.019 1.751   -5.531  1.00 10.77 ? 108 TRP A CA  1 
ATOM   843  C  C   . TRP A 1 108 ? -27.298 2.437   -6.000  1.00 14.58 ? 108 TRP A C   1 
ATOM   844  O  O   . TRP A 1 108 ? -28.203 1.781   -6.540  1.00 12.48 ? 108 TRP A O   1 
ATOM   845  C  CB  . TRP A 1 108 ? -25.477 0.816   -6.602  1.00 11.58 ? 108 TRP A CB  1 
ATOM   846  C  CG  . TRP A 1 108 ? -24.098 0.346   -6.312  1.00 11.28 ? 108 TRP A CG  1 
ATOM   847  C  CD1 . TRP A 1 108 ? -22.928 0.985   -6.668  1.00 11.34 ? 108 TRP A CD1 1 
ATOM   848  C  CD2 . TRP A 1 108 ? -23.705 -0.848  -5.610  1.00 10.76 ? 108 TRP A CD2 1 
ATOM   849  N  NE1 . TRP A 1 108 ? -21.854 0.262   -6.220  1.00 11.22 ? 108 TRP A NE1 1 
ATOM   850  C  CE2 . TRP A 1 108 ? -22.288 -0.866  -5.576  1.00 11.35 ? 108 TRP A CE2 1 
ATOM   851  C  CE3 . TRP A 1 108 ? -24.410 -1.909  -5.009  1.00 12.93 ? 108 TRP A CE3 1 
ATOM   852  C  CZ2 . TRP A 1 108 ? -21.556 -1.900  -4.980  1.00 11.37 ? 108 TRP A CZ2 1 
ATOM   853  C  CZ3 . TRP A 1 108 ? -23.681 -2.953  -4.418  1.00 11.42 ? 108 TRP A CZ3 1 
ATOM   854  C  CH2 . TRP A 1 108 ? -22.265 -2.939  -4.400  1.00 11.66 ? 108 TRP A CH2 1 
ATOM   855  N  N   A VAL A 1 109 ? -27.375 3.755   -5.783  0.80 14.44 ? 109 VAL A N   1 
ATOM   856  N  N   B VAL A 1 109 ? -27.375 3.757   -5.813  0.20 14.46 ? 109 VAL A N   1 
ATOM   857  C  CA  A VAL A 1 109 ? -28.574 4.501   -6.151  0.80 16.08 ? 109 VAL A CA  1 
ATOM   858  C  CA  B VAL A 1 109 ? -28.596 4.478   -6.163  0.20 15.97 ? 109 VAL A CA  1 
ATOM   859  C  C   A VAL A 1 109 ? -28.906 4.305   -7.631  0.80 14.32 ? 109 VAL A C   1 
ATOM   860  C  C   B VAL A 1 109 ? -28.912 4.351   -7.650  0.20 14.35 ? 109 VAL A C   1 
ATOM   861  O  O   A VAL A 1 109 ? -30.075 4.089   -7.986  0.80 13.96 ? 109 VAL A O   1 
ATOM   862  O  O   B VAL A 1 109 ? -30.085 4.276   -8.034  0.20 14.26 ? 109 VAL A O   1 
ATOM   863  C  CB  A VAL A 1 109 ? -28.402 5.984   -5.756  0.80 16.77 ? 109 VAL A CB  1 
ATOM   864  C  CB  B VAL A 1 109 ? -28.491 5.952   -5.718  0.20 16.77 ? 109 VAL A CB  1 
ATOM   865  C  CG1 A VAL A 1 109 ? -29.492 6.845   -6.372  0.80 18.92 ? 109 VAL A CG1 1 
ATOM   866  C  CG1 B VAL A 1 109 ? -28.125 6.032   -4.239  0.20 20.12 ? 109 VAL A CG1 1 
ATOM   867  C  CG2 A VAL A 1 109 ? -28.432 6.120   -4.219  0.80 21.05 ? 109 VAL A CG2 1 
ATOM   868  C  CG2 B VAL A 1 109 ? -27.470 6.695   -6.561  0.20 14.54 ? 109 VAL A CG2 1 
ATOM   869  N  N   . ALA A 1 110 ? -27.886 4.295   -8.506  1.00 14.15 ? 110 ALA A N   1 
ATOM   870  C  CA  . ALA A 1 110 ? -28.134 4.098   -9.938  1.00 13.83 ? 110 ALA A CA  1 
ATOM   871  C  C   . ALA A 1 110 ? -28.695 2.710   -10.225 1.00 11.20 ? 110 ALA A C   1 
ATOM   872  O  O   . ALA A 1 110 ? -29.525 2.551   -11.129 1.00 13.51 ? 110 ALA A O   1 
ATOM   873  C  CB  . ALA A 1 110 ? -26.859 4.344   -10.746 1.00 16.67 ? 110 ALA A CB  1 
ATOM   874  N  N   . TRP A 1 111 ? -28.255 1.692   -9.480  1.00 11.21 ? 111 TRP A N   1 
ATOM   875  C  CA  . TRP A 1 111 ? -28.894 0.393   -9.643  1.00 10.77 ? 111 TRP A CA  1 
ATOM   876  C  C   . TRP A 1 111 ? -30.362 0.453   -9.263  1.00 12.47 ? 111 TRP A C   1 
ATOM   877  O  O   . TRP A 1 111 ? -31.215 -0.030  -10.013 1.00 10.33 ? 111 TRP A O   1 
ATOM   878  C  CB  . TRP A 1 111 ? -28.194 -0.685  -8.820  1.00 9.18  ? 111 TRP A CB  1 
ATOM   879  C  CG  . TRP A 1 111 ? -28.902 -2.018  -8.934  1.00 10.24 ? 111 TRP A CG  1 
ATOM   880  C  CD1 . TRP A 1 111 ? -28.721 -2.947  -9.919  1.00 10.74 ? 111 TRP A CD1 1 
ATOM   881  C  CD2 . TRP A 1 111 ? -29.917 -2.549  -8.054  1.00 8.14  ? 111 TRP A CD2 1 
ATOM   882  N  NE1 . TRP A 1 111 ? -29.547 -4.025  -9.703  1.00 10.82 ? 111 TRP A NE1 1 
ATOM   883  C  CE2 . TRP A 1 111 ? -30.300 -3.799  -8.579  1.00 9.79  ? 111 TRP A CE2 1 
ATOM   884  C  CE3 . TRP A 1 111 ? -30.532 -2.089  -6.876  1.00 10.96 ? 111 TRP A CE3 1 
ATOM   885  C  CZ2 . TRP A 1 111 ? -31.264 -4.613  -7.948  1.00 11.87 ? 111 TRP A CZ2 1 
ATOM   886  C  CZ3 . TRP A 1 111 ? -31.500 -2.897  -6.254  1.00 12.16 ? 111 TRP A CZ3 1 
ATOM   887  C  CH2 . TRP A 1 111 ? -31.854 -4.139  -6.795  1.00 11.05 ? 111 TRP A CH2 1 
ATOM   888  N  N   . ARG A 1 112 ? -30.685 1.028   -8.098  1.00 10.80 ? 112 ARG A N   1 
ATOM   889  C  CA  . ARG A 1 112 ? -32.096 1.114   -7.722  1.00 11.41 ? 112 ARG A CA  1 
ATOM   890  C  C   . ARG A 1 112 ? -32.903 1.882   -8.769  1.00 12.13 ? 112 ARG A C   1 
ATOM   891  O  O   . ARG A 1 112 ? -33.999 1.449   -9.154  1.00 13.20 ? 112 ARG A O   1 
ATOM   892  C  CB  . ARG A 1 112 ? -32.250 1.760   -6.342  1.00 15.29 ? 112 ARG A CB  1 
ATOM   893  C  CG  . ARG A 1 112 ? -33.708 1.776   -5.897  1.00 17.08 ? 112 ARG A CG  1 
ATOM   894  C  CD  . ARG A 1 112 ? -33.832 2.250   -4.453  1.00 18.37 ? 112 ARG A CD  1 
ATOM   895  N  NE  . ARG A 1 112 ? -33.200 3.547   -4.236  1.00 24.23 ? 112 ARG A NE  1 
ATOM   896  C  CZ  . ARG A 1 112 ? -33.744 4.718   -4.556  1.00 31.02 ? 112 ARG A CZ  1 
ATOM   897  N  NH1 . ARG A 1 112 ? -34.946 4.800   -5.112  1.00 22.66 ? 112 ARG A NH1 1 
ATOM   898  N  NH2 . ARG A 1 112 ? -33.063 5.835   -4.316  1.00 25.48 ? 112 ARG A NH2 1 
ATOM   899  N  N   . ASN A 1 113 ? -32.372 3.012   -9.269  1.00 11.42 ? 113 ASN A N   1 
ATOM   900  C  CA  . ASN A 1 113 ? -33.191 3.849   -10.141 1.00 10.94 ? 113 ASN A CA  1 
ATOM   901  C  C   . ASN A 1 113 ? -33.204 3.406   -11.600 1.00 13.06 ? 113 ASN A C   1 
ATOM   902  O  O   . ASN A 1 113 ? -34.118 3.796   -12.340 1.00 12.33 ? 113 ASN A O   1 
ATOM   903  C  CB  . ASN A 1 113 ? -32.724 5.301   -10.041 1.00 11.60 ? 113 ASN A CB  1 
ATOM   904  C  CG  . ASN A 1 113 ? -33.083 5.929   -8.719  1.00 11.44 ? 113 ASN A CG  1 
ATOM   905  O  OD1 . ASN A 1 113 ? -34.088 5.577   -8.101  1.00 14.68 ? 113 ASN A OD1 1 
ATOM   906  N  ND2 . ASN A 1 113 ? -32.257 6.864   -8.273  1.00 13.72 ? 113 ASN A ND2 1 
ATOM   907  N  N   . ARG A 1 114 ? -32.221 2.622   -12.053 1.00 12.05 ? 114 ARG A N   1 
ATOM   908  C  CA  . ARG A 1 114 ? -32.099 2.323   -13.478 1.00 12.14 ? 114 ARG A CA  1 
ATOM   909  C  C   . ARG A 1 114 ? -32.024 0.843   -13.816 1.00 11.87 ? 114 ARG A C   1 
ATOM   910  O  O   . ARG A 1 114 ? -32.225 0.479   -14.990 1.00 12.23 ? 114 ARG A O   1 
ATOM   911  C  CB  . ARG A 1 114 ? -30.880 3.059   -14.037 1.00 12.85 ? 114 ARG A CB  1 
ATOM   912  C  CG  . ARG A 1 114 ? -30.961 4.550   -13.698 1.00 13.56 ? 114 ARG A CG  1 
ATOM   913  C  CD  . ARG A 1 114 ? -29.794 5.330   -14.235 1.00 13.05 ? 114 ARG A CD  1 
ATOM   914  N  NE  . ARG A 1 114 ? -29.836 5.469   -15.687 1.00 11.55 ? 114 ARG A NE  1 
ATOM   915  C  CZ  . ARG A 1 114 ? -28.968 6.204   -16.363 1.00 10.88 ? 114 ARG A CZ  1 
ATOM   916  N  NH1 . ARG A 1 114 ? -27.968 6.828   -15.750 1.00 12.69 ? 114 ARG A NH1 1 
ATOM   917  N  NH2 . ARG A 1 114 ? -29.106 6.310   -17.680 1.00 13.48 ? 114 ARG A NH2 1 
ATOM   918  N  N   . CYS A 1 115 ? -31.755 -0.030  -12.840 1.00 10.28 ? 115 CYS A N   1 
ATOM   919  C  CA  . CYS A 1 115 ? -31.593 -1.453  -13.121 1.00 11.36 ? 115 CYS A CA  1 
ATOM   920  C  C   . CYS A 1 115 ? -32.617 -2.309  -12.405 1.00 11.06 ? 115 CYS A C   1 
ATOM   921  O  O   . CYS A 1 115 ? -33.137 -3.265  -12.987 1.00 10.83 ? 115 CYS A O   1 
ATOM   922  C  CB  . CYS A 1 115 ? -30.200 -1.947  -12.706 1.00 9.00  ? 115 CYS A CB  1 
ATOM   923  S  SG  . CYS A 1 115 ? -28.846 -1.076  -13.513 1.00 11.63 ? 115 CYS A SG  1 
ATOM   924  N  N   . LYS A 1 116 ? -32.939 -1.967  -11.163 1.00 10.07 ? 116 LYS A N   1 
ATOM   925  C  CA  . LYS A 1 116 ? -33.813 -2.781  -10.343 1.00 13.14 ? 116 LYS A CA  1 
ATOM   926  C  C   . LYS A 1 116 ? -35.148 -2.986  -11.036 1.00 11.29 ? 116 LYS A C   1 
ATOM   927  O  O   . LYS A 1 116 ? -35.782 -2.026  -11.500 1.00 13.14 ? 116 LYS A O   1 
ATOM   928  C  CB  . LYS A 1 116 ? -33.982 -2.090  -8.991  1.00 11.58 ? 116 LYS A CB  1 
ATOM   929  C  CG  . LYS A 1 116 ? -34.909 -2.801  -7.998  1.00 10.06 ? 116 LYS A CG  1 
ATOM   930  C  CD  . LYS A 1 116 ? -34.934 -1.988  -6.709  1.00 11.40 ? 116 LYS A CD  1 
ATOM   931  C  CE  . LYS A 1 116 ? -35.701 -2.709  -5.603  1.00 12.42 ? 116 LYS A CE  1 
ATOM   932  N  NZ  . LYS A 1 116 ? -35.763 -1.892  -4.333  1.00 11.60 ? 116 LYS A NZ  1 
ATOM   933  N  N   . GLY A 1 117 ? -35.532 -4.261  -11.168 1.00 12.54 ? 117 GLY A N   1 
ATOM   934  C  CA  . GLY A 1 117 ? -36.795 -4.619  -11.752 1.00 14.53 ? 117 GLY A CA  1 
ATOM   935  C  C   . GLY A 1 117 ? -36.836 -4.637  -13.261 1.00 19.06 ? 117 GLY A C   1 
ATOM   936  O  O   . GLY A 1 117 ? -37.865 -5.039  -13.826 1.00 20.90 ? 117 GLY A O   1 
ATOM   937  N  N   . THR A 1 118 ? -35.764 -4.218  -13.931 1.00 13.97 ? 118 THR A N   1 
ATOM   938  C  CA  . THR A 1 118 ? -35.704 -4.223  -15.387 1.00 14.27 ? 118 THR A CA  1 
ATOM   939  C  C   . THR A 1 118 ? -35.176 -5.559  -15.895 1.00 13.85 ? 118 THR A C   1 
ATOM   940  O  O   . THR A 1 118 ? -34.748 -6.420  -15.126 1.00 13.30 ? 118 THR A O   1 
ATOM   941  C  CB  . THR A 1 118 ? -34.823 -3.089  -15.912 1.00 14.34 ? 118 THR A CB  1 
ATOM   942  O  OG1 . THR A 1 118 ? -33.450 -3.403  -15.663 1.00 12.89 ? 118 THR A OG1 1 
ATOM   943  C  CG2 . THR A 1 118 ? -35.208 -1.755  -15.254 1.00 13.04 ? 118 THR A CG2 1 
ATOM   944  N  N   . ASP A 1 119 ? -35.203 -5.726  -17.224 1.00 13.56 ? 119 ASP A N   1 
ATOM   945  C  CA  . ASP A 1 119 ? -34.703 -6.946  -17.860 1.00 13.15 ? 119 ASP A CA  1 
ATOM   946  C  C   . ASP A 1 119 ? -33.170 -6.921  -17.871 1.00 14.22 ? 119 ASP A C   1 
ATOM   947  O  O   . ASP A 1 119 ? -32.525 -6.696  -18.893 1.00 14.45 ? 119 ASP A O   1 
ATOM   948  C  CB  . ASP A 1 119 ? -35.253 -7.063  -19.276 1.00 15.08 ? 119 ASP A CB  1 
ATOM   949  C  CG  . ASP A 1 119 ? -34.784 -8.296  -19.975 1.00 20.43 ? 119 ASP A CG  1 
ATOM   950  O  OD1 . ASP A 1 119 ? -34.371 -9.266  -19.292 1.00 21.24 ? 119 ASP A OD1 1 
ATOM   951  O  OD2 . ASP A 1 119 ? -34.802 -8.273  -21.229 1.00 25.54 ? 119 ASP A OD2 1 
ATOM   952  N  N   . VAL A 1 120 ? -32.579 -7.148  -16.694 1.00 13.25 ? 120 VAL A N   1 
ATOM   953  C  CA  . VAL A 1 120 ? -31.120 -7.002  -16.588 1.00 11.81 ? 120 VAL A CA  1 
ATOM   954  C  C   . VAL A 1 120 ? -30.368 -8.083  -17.369 1.00 12.49 ? 120 VAL A C   1 
ATOM   955  O  O   . VAL A 1 120 ? -29.187 -7.906  -17.688 1.00 14.59 ? 120 VAL A O   1 
ATOM   956  C  CB  . VAL A 1 120 ? -30.650 -6.978  -15.123 1.00 12.07 ? 120 VAL A CB  1 
ATOM   957  C  CG1 . VAL A 1 120 ? -31.206 -5.758  -14.423 1.00 14.63 ? 120 VAL A CG1 1 
ATOM   958  C  CG2 . VAL A 1 120 ? -31.042 -8.263  -14.396 1.00 15.29 ? 120 VAL A CG2 1 
ATOM   959  N  N   . GLN A 1 121 ? -31.008 -9.207  -17.693 1.00 14.64 ? 121 GLN A N   1 
ATOM   960  C  CA  . GLN A 1 121 ? -30.329 -10.227 -18.479 1.00 16.49 ? 121 GLN A CA  1 
ATOM   961  C  C   . GLN A 1 121 ? -29.921 -9.701  -19.859 1.00 15.58 ? 121 GLN A C   1 
ATOM   962  O  O   . GLN A 1 121 ? -28.972 -10.213 -20.453 1.00 15.17 ? 121 GLN A O   1 
ATOM   963  C  CB  . GLN A 1 121 ? -31.228 -11.464 -18.602 1.00 20.27 ? 121 GLN A CB  1 
ATOM   964  C  CG  . GLN A 1 121 ? -30.547 -12.695 -19.214 1.00 24.18 ? 121 GLN A CG  1 
ATOM   965  C  CD  . GLN A 1 121 ? -30.487 -12.668 -20.738 1.00 36.30 ? 121 GLN A CD  1 
ATOM   966  O  OE1 . GLN A 1 121 ? -29.537 -13.167 -21.347 1.00 39.08 ? 121 GLN A OE1 1 
ATOM   967  N  NE2 . GLN A 1 121 ? -31.506 -12.081 -21.359 1.00 38.44 ? 121 GLN A NE2 1 
ATOM   968  N  N   . ALA A 1 122 ? -30.592 -8.673  -20.367 1.00 11.38 ? 122 ALA A N   1 
ATOM   969  C  CA  . ALA A 1 122 ? -30.172 -8.041  -21.607 1.00 12.36 ? 122 ALA A CA  1 
ATOM   970  C  C   . ALA A 1 122 ? -28.710 -7.634  -21.564 1.00 14.31 ? 122 ALA A C   1 
ATOM   971  O  O   . ALA A 1 122 ? -28.038 -7.610  -22.598 1.00 14.03 ? 122 ALA A O   1 
ATOM   972  C  CB  . ALA A 1 122 ? -31.048 -6.824  -21.900 1.00 14.62 ? 122 ALA A CB  1 
ATOM   973  N  N   . TRP A 1 123 ? -28.186 -7.341  -20.379 1.00 15.24 ? 123 TRP A N   1 
ATOM   974  C  CA  . TRP A 1 123 ? -26.826 -6.824  -20.322 1.00 13.77 ? 123 TRP A CA  1 
ATOM   975  C  C   . TRP A 1 123 ? -25.774 -7.883  -20.562 1.00 13.96 ? 123 TRP A C   1 
ATOM   976  O  O   . TRP A 1 123 ? -24.624 -7.523  -20.818 1.00 13.55 ? 123 TRP A O   1 
ATOM   977  C  CB  . TRP A 1 123 ? -26.584 -6.149  -18.967 1.00 11.95 ? 123 TRP A CB  1 
ATOM   978  C  CG  . TRP A 1 123 ? -27.331 -4.896  -18.888 1.00 10.35 ? 123 TRP A CG  1 
ATOM   979  C  CD1 . TRP A 1 123 ? -28.517 -4.673  -18.228 1.00 13.89 ? 123 TRP A CD1 1 
ATOM   980  C  CD2 . TRP A 1 123 ? -26.981 -3.665  -19.518 1.00 12.17 ? 123 TRP A CD2 1 
ATOM   981  N  NE1 . TRP A 1 123 ? -28.926 -3.373  -18.428 1.00 15.61 ? 123 TRP A NE1 1 
ATOM   982  C  CE2 . TRP A 1 123 ? -27.999 -2.732  -19.209 1.00 14.99 ? 123 TRP A CE2 1 
ATOM   983  C  CE3 . TRP A 1 123 ? -25.901 -3.257  -20.316 1.00 14.21 ? 123 TRP A CE3 1 
ATOM   984  C  CZ2 . TRP A 1 123 ? -27.969 -1.409  -19.685 1.00 15.16 ? 123 TRP A CZ2 1 
ATOM   985  C  CZ3 . TRP A 1 123 ? -25.881 -1.959  -20.794 1.00 19.12 ? 123 TRP A CZ3 1 
ATOM   986  C  CH2 . TRP A 1 123 ? -26.911 -1.054  -20.482 1.00 16.04 ? 123 TRP A CH2 1 
ATOM   987  N  N   . ILE A 1 124 ? -26.123 -9.164  -20.500 1.00 14.13 ? 124 ILE A N   1 
ATOM   988  C  CA  . ILE A 1 124 ? -25.177 -10.205 -20.860 1.00 14.30 ? 124 ILE A CA  1 
ATOM   989  C  C   . ILE A 1 124 ? -25.581 -10.911 -22.151 1.00 17.38 ? 124 ILE A C   1 
ATOM   990  O  O   . ILE A 1 124 ? -24.976 -11.927 -22.513 1.00 18.58 ? 124 ILE A O   1 
ATOM   991  C  CB  . ILE A 1 124 ? -24.980 -11.201 -19.708 1.00 18.19 ? 124 ILE A CB  1 
ATOM   992  C  CG1 . ILE A 1 124 ? -26.288 -11.895 -19.323 1.00 18.93 ? 124 ILE A CG1 1 
ATOM   993  C  CG2 . ILE A 1 124 ? -24.400 -10.476 -18.492 1.00 18.94 ? 124 ILE A CG2 1 
ATOM   994  C  CD1 . ILE A 1 124 ? -26.115 -12.854 -18.137 1.00 23.18 ? 124 ILE A CD1 1 
ATOM   995  N  N   . ARG A 1 125 ? -26.562 -10.377 -22.873 1.00 17.53 ? 125 ARG A N   1 
ATOM   996  C  CA  . ARG A 1 125 ? -26.961 -11.001 -24.129 1.00 19.74 ? 125 ARG A CA  1 
ATOM   997  C  C   . ARG A 1 125 ? -25.793 -11.021 -25.100 1.00 17.50 ? 125 ARG A C   1 
ATOM   998  O  O   . ARG A 1 125 ? -25.044 -10.053 -25.227 1.00 18.68 ? 125 ARG A O   1 
ATOM   999  C  CB  . ARG A 1 125 ? -28.155 -10.269 -24.745 1.00 22.31 ? 125 ARG A CB  1 
ATOM   1000 C  CG  . ARG A 1 125 ? -29.263 -11.244 -25.183 1.00 36.29 ? 125 ARG A CG  1 
ATOM   1001 C  CD  . ARG A 1 125 ? -30.620 -10.574 -25.365 1.00 36.58 ? 125 ARG A CD  1 
ATOM   1002 N  NE  . ARG A 1 125 ? -31.472 -10.730 -24.189 1.00 37.30 ? 125 ARG A NE  1 
ATOM   1003 C  CZ  . ARG A 1 125 ? -32.399 -9.856  -23.824 1.00 37.97 ? 125 ARG A CZ  1 
ATOM   1004 N  NH1 . ARG A 1 125 ? -32.633 -8.761  -24.533 1.00 45.48 ? 125 ARG A NH1 1 
ATOM   1005 N  NH2 . ARG A 1 125 ? -33.117 -10.088 -22.727 1.00 38.26 ? 125 ARG A NH2 1 
ATOM   1006 N  N   . GLY A 1 126 ? -25.622 -12.154 -25.786 1.00 17.45 ? 126 GLY A N   1 
ATOM   1007 C  CA  . GLY A 1 126 ? -24.577 -12.278 -26.766 1.00 22.13 ? 126 GLY A CA  1 
ATOM   1008 C  C   . GLY A 1 126 ? -23.234 -12.652 -26.202 1.00 21.09 ? 126 GLY A C   1 
ATOM   1009 O  O   . GLY A 1 126 ? -22.344 -13.040 -26.970 1.00 24.92 ? 126 GLY A O   1 
ATOM   1010 N  N   . CYS A 1 127 ? -23.065 -12.598 -24.888 1.00 18.17 ? 127 CYS A N   1 
ATOM   1011 C  CA  . CYS A 1 127 ? -21.760 -12.852 -24.318 1.00 17.69 ? 127 CYS A CA  1 
ATOM   1012 C  C   . CYS A 1 127 ? -21.530 -14.346 -24.204 1.00 17.48 ? 127 CYS A C   1 
ATOM   1013 O  O   . CYS A 1 127 ? -22.441 -15.101 -23.850 1.00 20.25 ? 127 CYS A O   1 
ATOM   1014 C  CB  . CYS A 1 127 ? -21.633 -12.196 -22.945 1.00 19.40 ? 127 CYS A CB  1 
ATOM   1015 S  SG  . CYS A 1 127 ? -21.945 -10.421 -22.887 1.00 18.49 ? 127 CYS A SG  1 
ATOM   1016 N  N   . ARG A 1 128 ? -20.307 -14.762 -24.543 1.00 19.84 ? 128 ARG A N   1 
ATOM   1017 C  CA  . ARG A 1 128 ? -19.858 -16.140 -24.373 1.00 21.76 ? 128 ARG A CA  1 
ATOM   1018 C  C   . ARG A 1 128 ? -19.297 -16.189 -22.955 1.00 30.42 ? 128 ARG A C   1 
ATOM   1019 O  O   . ARG A 1 128 ? -18.157 -15.791 -22.683 1.00 27.23 ? 128 ARG A O   1 
ATOM   1020 C  CB  . ARG A 1 128 ? -18.822 -16.507 -25.430 1.00 20.64 ? 128 ARG A CB  1 
ATOM   1021 C  CG  . ARG A 1 128 ? -18.429 -17.973 -25.400 1.00 32.00 ? 128 ARG A CG  1 
ATOM   1022 C  CD  . ARG A 1 128 ? -19.489 -18.846 -26.080 1.00 36.24 ? 128 ARG A CD  1 
ATOM   1023 N  NE  . ARG A 1 128 ? -19.163 -20.262 -25.978 1.00 31.53 ? 128 ARG A NE  1 
ATOM   1024 C  CZ  . ARG A 1 128 ? -19.319 -20.975 -24.872 1.00 47.09 ? 128 ARG A CZ  1 
ATOM   1025 N  NH1 . ARG A 1 128 ? -19.908 -20.466 -23.799 1.00 47.62 ? 128 ARG A NH1 1 
ATOM   1026 N  NH2 . ARG A 1 128 ? -18.887 -22.233 -24.843 1.00 53.47 ? 128 ARG A NH2 1 
ATOM   1027 N  N   . LEU A 1 129 ? -20.141 -16.621 -22.029 1.00 24.42 ? 129 LEU A N   1 
ATOM   1028 C  CA  . LEU A 1 129 ? -19.829 -16.542 -20.612 1.00 39.07 ? 129 LEU A CA  1 
ATOM   1029 C  C   . LEU A 1 129 ? -19.957 -17.889 -19.967 1.00 55.82 ? 129 LEU A C   1 
ATOM   1030 O  O   . LEU A 1 129 ? -19.619 -17.962 -18.795 1.00 50.48 ? 129 LEU A O   1 
ATOM   1031 C  CB  . LEU A 1 129 ? -20.762 -15.579 -19.884 1.00 31.46 ? 129 LEU A CB  1 
ATOM   1032 C  CG  . LEU A 1 129 ? -20.728 -14.103 -20.245 1.00 34.04 ? 129 LEU A CG  1 
ATOM   1033 C  CD1 . LEU A 1 129 ? -21.896 -13.396 -19.577 1.00 34.19 ? 129 LEU A CD1 1 
ATOM   1034 C  CD2 . LEU A 1 129 ? -19.404 -13.474 -19.843 1.00 34.77 ? 129 LEU A CD2 1 
ATOM   1035 O  OXT . LEU A 1 129 ? -20.430 -18.863 -20.561 1.00 49.71 ? 129 LEU A OXT 1 
HETATM 1036 CL CL  . CL  B 2 .   ? -28.736 -11.641 -15.554 1.00 20.71 ? 201 CL  A CL  1 
HETATM 1037 CL CL  . CL  C 2 .   ? -31.036 -8.592  -1.231  1.00 17.14 ? 202 CL  A CL  1 
HETATM 1038 NA NA  . NA  D 3 .   ? -12.967 7.140   3.768   1.00 22.77 ? 203 NA  A NA  1 
HETATM 1039 O  O   . HOH E 4 .   ? -12.712 2.242   8.240   1.00 32.31 ? 301 HOH A O   1 
HETATM 1040 O  O   . HOH E 4 .   ? -6.476  1.748   -16.847 1.00 26.52 ? 302 HOH A O   1 
HETATM 1041 O  O   . HOH E 4 .   ? -23.933 11.303  2.870   1.00 28.44 ? 303 HOH A O   1 
HETATM 1042 O  O   . HOH E 4 .   ? -17.680 -13.134 0.170   1.00 27.55 ? 304 HOH A O   1 
HETATM 1043 O  O   A HOH E 4 .   ? -25.532 5.345   -7.463  0.81 16.33 ? 305 HOH A O   1 
HETATM 1044 O  O   . HOH E 4 .   ? -10.154 -7.923  -19.876 1.00 27.23 ? 306 HOH A O   1 
HETATM 1045 O  O   . HOH E 4 .   ? -12.958 0.105   -10.933 1.00 23.24 ? 307 HOH A O   1 
HETATM 1046 O  O   . HOH E 4 .   ? -31.092 3.328   -2.776  1.00 31.06 ? 308 HOH A O   1 
HETATM 1047 O  O   . HOH E 4 .   ? -17.747 14.219  -11.759 1.00 32.03 ? 309 HOH A O   1 
HETATM 1048 O  O   . HOH E 4 .   ? -2.795  6.155   -4.200  1.00 25.78 ? 310 HOH A O   1 
HETATM 1049 O  O   . HOH E 4 .   ? -20.835 -5.664  4.749   1.00 29.93 ? 311 HOH A O   1 
HETATM 1050 O  O   . HOH E 4 .   ? -9.815  -5.900  4.283   1.00 30.14 ? 312 HOH A O   1 
HETATM 1051 O  O   . HOH E 4 .   ? -24.667 -14.540 -22.398 1.00 24.90 ? 313 HOH A O   1 
HETATM 1052 O  O   . HOH E 4 .   ? -23.734 6.871   -16.197 1.00 23.68 ? 314 HOH A O   1 
HETATM 1053 O  O   . HOH E 4 .   ? -27.258 -6.706  2.019   1.00 16.35 ? 315 HOH A O   1 
HETATM 1054 O  O   . HOH E 4 .   ? -5.153  3.175   -9.784  1.00 23.39 ? 316 HOH A O   1 
HETATM 1055 O  O   . HOH E 4 .   ? -36.587 4.650   -8.215  1.00 25.78 ? 317 HOH A O   1 
HETATM 1056 O  O   . HOH E 4 .   ? -8.057  -5.759  -16.938 1.00 32.31 ? 318 HOH A O   1 
HETATM 1057 O  O   . HOH E 4 .   ? -36.656 1.420   -8.797  1.00 25.62 ? 319 HOH A O   1 
HETATM 1058 O  O   . HOH E 4 .   ? -11.166 -1.648  -11.343 1.00 17.63 ? 320 HOH A O   1 
HETATM 1059 O  O   . HOH E 4 .   ? -32.658 1.405   -17.474 1.00 15.96 ? 321 HOH A O   1 
HETATM 1060 O  O   . HOH E 4 .   ? -21.365 9.209   1.016   1.00 30.37 ? 322 HOH A O   1 
HETATM 1061 O  O   . HOH E 4 .   ? -22.177 -18.133 -22.991 1.00 26.66 ? 323 HOH A O   1 
HETATM 1062 O  O   . HOH E 4 .   ? -14.924 -8.948  0.239   1.00 24.98 ? 324 HOH A O   1 
HETATM 1063 O  O   . HOH E 4 .   ? -12.230 10.228  -13.244 1.00 11.29 ? 325 HOH A O   1 
HETATM 1064 O  O   . HOH E 4 .   ? -13.639 12.959  -1.477  1.00 11.90 ? 326 HOH A O   1 
HETATM 1065 O  O   . HOH E 4 .   ? -24.939 6.955   -12.026 1.00 15.81 ? 327 HOH A O   1 
HETATM 1066 O  O   . HOH E 4 .   ? -11.220 -2.763  -22.913 1.00 26.08 ? 328 HOH A O   1 
HETATM 1067 O  O   . HOH E 4 .   ? -13.444 13.444  -9.287  0.50 17.17 ? 329 HOH A O   1 
HETATM 1068 O  O   . HOH E 4 .   ? -17.653 -0.051  -23.392 1.00 18.16 ? 330 HOH A O   1 
HETATM 1069 O  O   . HOH E 4 .   ? -34.714 -7.330  -12.548 1.00 17.19 ? 331 HOH A O   1 
HETATM 1070 O  O   . HOH E 4 .   ? -9.971  4.401   -18.614 1.00 13.30 ? 332 HOH A O   1 
HETATM 1071 O  O   . HOH E 4 .   ? -26.115 -3.119  0.922   1.00 15.92 ? 333 HOH A O   1 
HETATM 1072 O  O   . HOH E 4 .   ? -11.233 6.927   5.099   1.00 21.57 ? 334 HOH A O   1 
HETATM 1073 O  O   . HOH E 4 .   ? -32.595 -4.178  -20.052 1.00 18.53 ? 335 HOH A O   1 
HETATM 1074 O  O   . HOH E 4 .   ? -8.355  -10.508 -3.536  1.00 32.09 ? 336 HOH A O   1 
HETATM 1075 O  O   . HOH E 4 .   ? -6.268  -2.337  -7.187  1.00 20.83 ? 337 HOH A O   1 
HETATM 1076 O  O   . HOH E 4 .   ? -38.206 -1.191  -12.602 1.00 22.75 ? 338 HOH A O   1 
HETATM 1077 O  O   . HOH E 4 .   ? -21.235 8.377   -9.027  1.00 21.13 ? 339 HOH A O   1 
HETATM 1078 O  O   . HOH E 4 .   ? -15.485 0.594   -8.182  1.00 12.43 ? 340 HOH A O   1 
HETATM 1079 O  O   . HOH E 4 .   ? -30.891 -10.892 -3.576  1.00 15.97 ? 341 HOH A O   1 
HETATM 1080 O  O   . HOH E 4 .   ? -11.031 -4.082  -2.029  1.00 19.57 ? 342 HOH A O   1 
HETATM 1081 O  O   . HOH E 4 .   ? -37.636 -0.013  -5.253  1.00 20.74 ? 343 HOH A O   1 
HETATM 1082 O  O   . HOH E 4 .   ? -23.626 5.211   -18.673 1.00 25.66 ? 344 HOH A O   1 
HETATM 1083 O  O   . HOH E 4 .   ? -33.059 -6.366  -10.580 1.00 15.86 ? 345 HOH A O   1 
HETATM 1084 O  O   . HOH E 4 .   ? -19.690 -15.500 -10.690 1.00 21.19 ? 346 HOH A O   1 
HETATM 1085 O  O   . HOH E 4 .   ? -31.664 -2.904  -17.816 1.00 15.26 ? 347 HOH A O   1 
HETATM 1086 O  O   . HOH E 4 .   ? -11.622 8.628   2.702   1.00 15.06 ? 348 HOH A O   1 
HETATM 1087 O  O   . HOH E 4 .   ? -7.939  -4.678  1.687   1.00 30.87 ? 349 HOH A O   1 
HETATM 1088 O  O   . HOH E 4 .   ? -18.639 2.344   -22.432 1.00 20.64 ? 350 HOH A O   1 
HETATM 1089 O  O   . HOH E 4 .   ? -12.453 -9.804  -18.939 1.00 27.98 ? 351 HOH A O   1 
HETATM 1090 O  O   . HOH E 4 .   ? -11.812 11.812  9.287   0.50 24.18 ? 352 HOH A O   1 
HETATM 1091 O  O   . HOH E 4 .   ? -25.084 5.232   -4.861  1.00 21.85 ? 353 HOH A O   1 
HETATM 1092 O  O   . HOH E 4 .   ? -14.658 -16.716 -8.195  1.00 26.43 ? 354 HOH A O   1 
HETATM 1093 O  O   . HOH E 4 .   ? -30.823 -11.731 -9.606  1.00 15.85 ? 355 HOH A O   1 
HETATM 1094 O  O   . HOH E 4 .   ? -7.599  -4.615  -8.189  1.00 17.31 ? 356 HOH A O   1 
HETATM 1095 O  O   . HOH E 4 .   ? -13.512 -0.300  -24.935 1.00 28.02 ? 357 HOH A O   1 
HETATM 1096 O  O   . HOH E 4 .   ? -31.835 4.250   -17.389 1.00 12.92 ? 358 HOH A O   1 
HETATM 1097 O  O   . HOH E 4 .   ? -23.443 -15.018 -2.044  1.00 26.53 ? 359 HOH A O   1 
HETATM 1098 O  O   . HOH E 4 .   ? -9.627  1.161   -22.469 1.00 22.26 ? 360 HOH A O   1 
HETATM 1099 O  O   . HOH E 4 .   ? -16.686 7.127   -17.406 1.00 21.42 ? 361 HOH A O   1 
HETATM 1100 O  O   . HOH E 4 .   ? -11.929 -12.040 -17.146 1.00 21.02 ? 362 HOH A O   1 
HETATM 1101 O  O   . HOH E 4 .   ? -36.642 -3.859  -18.949 1.00 18.76 ? 363 HOH A O   1 
HETATM 1102 O  O   . HOH E 4 .   ? -11.920 -4.964  0.361   1.00 21.62 ? 364 HOH A O   1 
HETATM 1103 O  O   . HOH E 4 .   ? -37.631 -3.284  -2.561  1.00 14.75 ? 365 HOH A O   1 
HETATM 1104 O  O   . HOH E 4 .   ? -15.640 -15.874 -16.306 1.00 23.12 ? 366 HOH A O   1 
HETATM 1105 O  O   . HOH E 4 .   ? -33.669 -10.116 -16.572 1.00 22.07 ? 367 HOH A O   1 
HETATM 1106 O  O   . HOH E 4 .   ? -12.902 -18.132 -11.425 1.00 22.55 ? 368 HOH A O   1 
HETATM 1107 O  O   . HOH E 4 .   ? -29.180 -11.075 -0.294  1.00 28.29 ? 369 HOH A O   1 
HETATM 1108 O  O   . HOH E 4 .   ? -39.029 -7.263  -12.273 1.00 25.23 ? 370 HOH A O   1 
HETATM 1109 O  O   . HOH E 4 .   ? -20.378 3.110   -2.495  1.00 22.91 ? 371 HOH A O   1 
HETATM 1110 O  O   . HOH E 4 .   ? -8.955  17.943  -3.296  1.00 18.59 ? 372 HOH A O   1 
HETATM 1111 O  O   . HOH E 4 .   ? -32.701 -9.460  -11.496 1.00 17.89 ? 373 HOH A O   1 
HETATM 1112 O  O   . HOH E 4 .   ? -4.312  0.225   -13.747 1.00 27.13 ? 374 HOH A O   1 
HETATM 1113 O  O   . HOH E 4 .   ? -35.587 -0.777  -1.559  1.00 23.97 ? 375 HOH A O   1 
HETATM 1114 O  O   . HOH E 4 .   ? -24.118 13.205  -4.152  1.00 23.53 ? 376 HOH A O   1 
HETATM 1115 O  O   . HOH E 4 .   ? -3.632  2.306   -5.906  1.00 27.12 ? 377 HOH A O   1 
HETATM 1116 O  O   . HOH E 4 .   ? -16.656 -6.895  -24.714 1.00 15.15 ? 378 HOH A O   1 
HETATM 1117 O  O   . HOH E 4 .   ? -10.344 -2.389  -8.703  1.00 14.92 ? 379 HOH A O   1 
HETATM 1118 O  O   . HOH E 4 .   ? -6.777  -5.528  -21.313 1.00 32.69 ? 380 HOH A O   1 
HETATM 1119 O  O   . HOH E 4 .   ? -6.027  1.790   2.986   1.00 24.64 ? 381 HOH A O   1 
HETATM 1120 O  O   . HOH E 4 .   ? -19.326 -6.567  -25.625 1.00 20.19 ? 382 HOH A O   1 
HETATM 1121 O  O   . HOH E 4 .   ? -4.621  9.466   2.846   1.00 16.15 ? 383 HOH A O   1 
HETATM 1122 O  O   . HOH E 4 .   ? -17.054 -14.866 -3.078  1.00 35.88 ? 384 HOH A O   1 
HETATM 1123 O  O   . HOH E 4 .   ? -10.481 10.860  4.655   1.00 12.15 ? 385 HOH A O   1 
HETATM 1124 O  O   . HOH E 4 .   ? -5.002  4.564   2.117   1.00 24.33 ? 386 HOH A O   1 
HETATM 1125 O  O   . HOH E 4 .   ? -23.610 12.876  -1.005  1.00 21.78 ? 387 HOH A O   1 
HETATM 1126 O  O   . HOH E 4 .   ? -14.882 -15.437 -5.738  1.00 31.60 ? 388 HOH A O   1 
HETATM 1127 O  O   . HOH E 4 .   ? -37.324 2.710   -5.979  1.00 27.31 ? 389 HOH A O   1 
HETATM 1128 O  O   . HOH E 4 .   ? -19.910 -1.853  -24.416 1.00 32.07 ? 390 HOH A O   1 
HETATM 1129 O  O   . HOH E 4 .   ? -7.022  16.351  1.493   1.00 26.25 ? 391 HOH A O   1 
HETATM 1130 O  O   . HOH E 4 .   ? -40.347 -2.893  -13.236 1.00 33.40 ? 392 HOH A O   1 
HETATM 1131 O  O   . HOH E 4 .   ? -19.365 -11.456 -27.469 1.00 30.60 ? 393 HOH A O   1 
HETATM 1132 O  O   . HOH E 4 .   ? -30.717 -14.656 -9.463  1.00 34.11 ? 394 HOH A O   1 
HETATM 1133 O  O   . HOH E 4 .   ? -25.184 7.565   -9.028  1.00 29.67 ? 395 HOH A O   1 
HETATM 1134 O  O   . HOH E 4 .   ? -26.366 -0.665  2.367   1.00 28.10 ? 396 HOH A O   1 
HETATM 1135 O  O   . HOH E 4 .   ? -38.378 -3.436  -9.065  1.00 17.49 ? 397 HOH A O   1 
HETATM 1136 O  O   . HOH E 4 .   ? -8.821  -5.547  -2.279  1.00 23.71 ? 398 HOH A O   1 
HETATM 1137 O  O   . HOH E 4 .   ? -23.107 -1.082  -23.542 1.00 15.16 ? 399 HOH A O   1 
HETATM 1138 O  O   . HOH E 4 .   ? -31.189 -0.386  -18.982 1.00 17.42 ? 400 HOH A O   1 
HETATM 1139 O  O   . HOH E 4 .   ? -7.318  -6.146  5.116   1.00 32.15 ? 401 HOH A O   1 
HETATM 1140 O  O   . HOH E 4 .   ? -37.095 -8.509  -12.257 1.00 22.84 ? 402 HOH A O   1 
HETATM 1141 O  O   . HOH E 4 .   ? -28.556 -3.606  -22.704 1.00 28.62 ? 403 HOH A O   1 
HETATM 1142 O  O   . HOH E 4 .   ? -30.980 -3.361  -22.135 1.00 24.04 ? 404 HOH A O   1 
HETATM 1143 O  O   . HOH E 4 .   ? -27.363 1.960   -22.536 1.00 33.49 ? 405 HOH A O   1 
HETATM 1144 O  O   . HOH E 4 .   ? -38.207 -0.762  -8.069  1.00 20.29 ? 406 HOH A O   1 
HETATM 1145 O  O   . HOH E 4 .   ? -34.796 -2.291  -19.951 1.00 25.31 ? 407 HOH A O   1 
HETATM 1146 O  O   . HOH E 4 .   ? -38.563 -2.281  -17.675 1.00 22.93 ? 408 HOH A O   1 
HETATM 1147 O  O   . HOH E 4 .   ? -4.071  -1.157  -2.748  1.00 29.37 ? 409 HOH A O   1 
HETATM 1148 O  O   . HOH E 4 .   ? -5.096  -3.154  -4.864  1.00 26.79 ? 410 HOH A O   1 
# 
