data_9LML
# 
_entry.id   9LML 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9LML         pdb_00009lml 10.2210/pdb9lml/pdb 
WWPDB D_1300055965 ?            ?                   
# 
_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       2025-02-12 
# 
_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                        9LML 
_pdbx_database_status.recvd_initial_deposition_date   2025-01-19 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              structure@kookmin.ac.kr 
_pdbx_contact_author.name_first         'Ki Hyun' 
_pdbx_contact_author.name_last          Nam 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-3268-354X 
# 
_audit_author.name               'Nam, K.H.' 
_audit_author.pdbx_ordinal       1 
_audit_author.identifier_ORCID   ? 
# 
_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                     'Room temperature structure of lysozyme by serial synchrotron crystallography (MOSFLM)' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
_citation_author.citation_id        primary 
_citation_author.name               'Nam, K.H.' 
_citation_author.ordinal            1 
_citation_author.identifier_ORCID   ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     nat 'Lysozyme C'   14331.160 1  3.2.1.17 ? ? ? 
2 non-polymer nat 'SODIUM ION'   22.990    1  ?        ? ? ? 
3 non-polymer syn 'CHLORIDE ION' 35.453    2  ?        ? ? ? 
4 water       nat water          18.015    86 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        '1,4-beta-N-acetylmuramidase C,Allergen Gal d IV' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPC
SALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_entity_poly.pdbx_seq_one_letter_code_can   
;KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPC
SALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'SODIUM ION'   NA  
3 'CHLORIDE ION' CL  
4 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 NA  1  201 201 NA  NA  A . 
C 3 CL  1  202 202 CL  CL  A . 
D 3 CL  1  203 203 CL  CL  A . 
E 4 HOH 1  301 39  HOH HOH A . 
E 4 HOH 2  302 15  HOH HOH A . 
E 4 HOH 3  303 76  HOH HOH A . 
E 4 HOH 4  304 37  HOH HOH A . 
E 4 HOH 5  305 25  HOH HOH A . 
E 4 HOH 6  306 45  HOH HOH A . 
E 4 HOH 7  307 54  HOH HOH A . 
E 4 HOH 8  308 51  HOH HOH A . 
E 4 HOH 9  309 35  HOH HOH A . 
E 4 HOH 10 310 81  HOH HOH A . 
E 4 HOH 11 311 2   HOH HOH A . 
E 4 HOH 12 312 16  HOH HOH A . 
E 4 HOH 13 313 31  HOH HOH A . 
E 4 HOH 14 314 6   HOH HOH A . 
E 4 HOH 15 315 36  HOH HOH A . 
E 4 HOH 16 316 1   HOH HOH A . 
E 4 HOH 17 317 13  HOH HOH A . 
E 4 HOH 18 318 24  HOH HOH A . 
E 4 HOH 19 319 22  HOH HOH A . 
E 4 HOH 20 320 86  HOH HOH A . 
E 4 HOH 21 321 41  HOH HOH A . 
E 4 HOH 22 322 21  HOH HOH A . 
E 4 HOH 23 323 27  HOH HOH A . 
E 4 HOH 24 324 49  HOH HOH A . 
E 4 HOH 25 325 52  HOH HOH A . 
E 4 HOH 26 326 18  HOH HOH A . 
E 4 HOH 27 327 67  HOH HOH A . 
E 4 HOH 28 328 50  HOH HOH A . 
E 4 HOH 29 329 56  HOH HOH A . 
E 4 HOH 30 330 26  HOH HOH A . 
E 4 HOH 31 331 29  HOH HOH A . 
E 4 HOH 32 332 59  HOH HOH A . 
E 4 HOH 33 333 34  HOH HOH A . 
E 4 HOH 34 334 28  HOH HOH A . 
E 4 HOH 35 335 40  HOH HOH A . 
E 4 HOH 36 336 20  HOH HOH A . 
E 4 HOH 37 337 7   HOH HOH A . 
E 4 HOH 38 338 82  HOH HOH A . 
E 4 HOH 39 339 5   HOH HOH A . 
E 4 HOH 40 340 43  HOH HOH A . 
E 4 HOH 41 341 4   HOH HOH A . 
E 4 HOH 42 342 10  HOH HOH A . 
E 4 HOH 43 343 58  HOH HOH A . 
E 4 HOH 44 344 33  HOH HOH A . 
E 4 HOH 45 345 12  HOH HOH A . 
E 4 HOH 46 346 38  HOH HOH A . 
E 4 HOH 47 347 30  HOH HOH A . 
E 4 HOH 48 348 74  HOH HOH A . 
E 4 HOH 49 349 80  HOH HOH A . 
E 4 HOH 50 350 32  HOH HOH A . 
E 4 HOH 51 351 17  HOH HOH A . 
E 4 HOH 52 352 23  HOH HOH A . 
E 4 HOH 53 353 14  HOH HOH A . 
E 4 HOH 54 354 57  HOH HOH A . 
E 4 HOH 55 355 19  HOH HOH A . 
E 4 HOH 56 356 79  HOH HOH A . 
E 4 HOH 57 357 68  HOH HOH A . 
E 4 HOH 58 358 61  HOH HOH A . 
E 4 HOH 59 359 44  HOH HOH A . 
E 4 HOH 60 360 66  HOH HOH A . 
E 4 HOH 61 361 9   HOH HOH A . 
E 4 HOH 62 362 78  HOH HOH A . 
E 4 HOH 63 363 75  HOH HOH A . 
E 4 HOH 64 364 48  HOH HOH A . 
E 4 HOH 65 365 11  HOH HOH A . 
E 4 HOH 66 366 55  HOH HOH A . 
E 4 HOH 67 367 8   HOH HOH A . 
E 4 HOH 68 368 60  HOH HOH A . 
E 4 HOH 69 369 64  HOH HOH A . 
E 4 HOH 70 370 47  HOH HOH A . 
E 4 HOH 71 371 53  HOH HOH A . 
E 4 HOH 72 372 77  HOH HOH A . 
E 4 HOH 73 373 3   HOH HOH A . 
E 4 HOH 74 374 65  HOH HOH A . 
E 4 HOH 75 375 85  HOH HOH A . 
E 4 HOH 76 376 83  HOH HOH A . 
E 4 HOH 77 377 72  HOH HOH A . 
E 4 HOH 78 378 71  HOH HOH A . 
E 4 HOH 79 379 62  HOH HOH A . 
E 4 HOH 80 380 70  HOH HOH A . 
E 4 HOH 81 381 42  HOH HOH A . 
E 4 HOH 82 382 46  HOH HOH A . 
E 4 HOH 83 383 84  HOH HOH A . 
E 4 HOH 84 384 73  HOH HOH A . 
E 4 HOH 85 385 69  HOH HOH A . 
E 4 HOH 86 386 63  HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? '(1.17.1_3660: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? .                    2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .                    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9LML 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     79.180 
_cell.length_a_esd                 ? 
_cell.length_b                     79.180 
_cell.length_b_esd                 ? 
_cell.length_c                     38.350 
_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                         9LML 
_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                   9LML 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.10 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          41.35 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'SMALL TUBES' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_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    'Na-acetate, PEG 8000, NaCl' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            295.5 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     298 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2019-02-25 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9794 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'PAL/PLS BEAMLINE 11C' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9794 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   11C 
_diffrn_source.pdbx_synchrotron_site       PAL/PLS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9LML 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.60 
_reflns.d_resolution_low                               80 
_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                                     16656 
_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                                1257.5 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          10.19 
_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                                   0.9939866 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.6 
_reflns_shell.d_res_low                                     1.66 
_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                             1609 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.9147798 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_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                                 9LML 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.60 
_refine.ls_d_res_low                             55.99 
_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                     16586 
_refine.ls_number_reflns_R_free                  1005 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.84 
_refine.ls_percent_reflns_R_free                 6.06 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1793 
_refine.ls_R_factor_R_free                       0.1994 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1780 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.33 
_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                      7WUC 
_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             1.11 
_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                 19.14 
_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                            0.12 
_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                       1.60 
_refine_hist.d_res_low                        55.99 
_refine_hist.number_atoms_solvent             86 
_refine_hist.number_atoms_total               1090 
_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_restraint_function 
'X-RAY DIFFRACTION' ? 0.005  ? 1021 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.816  ? 1381 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 16.153 ? 143  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.051  ? 144  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.004  ? 181  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.60 1.68  . . 140 2164 100.00 . . . . 0.1918 . . . . . . . . . . . 0.2280 
'X-RAY DIFFRACTION' 1.68 1.79  . . 140 2160 99.00  . . . . 0.2123 . . . . . . . . . . . 0.2431 
'X-RAY DIFFRACTION' 1.79 1.93  . . 141 2187 100.00 . . . . 0.1841 . . . . . . . . . . . 0.2293 
'X-RAY DIFFRACTION' 1.93 2.12  . . 143 2212 100.00 . . . . 0.1735 . . . . . . . . . . . 0.1888 
'X-RAY DIFFRACTION' 2.12 2.43  . . 143 2217 100.00 . . . . 0.1717 . . . . . . . . . . . 0.1754 
'X-RAY DIFFRACTION' 2.43 3.06  . . 144 2256 100.00 . . . . 0.1901 . . . . . . . . . . . 0.1968 
'X-RAY DIFFRACTION' 3.06 55.99 . . 154 2385 100.00 . . . . 0.1705 . . . . . . . . . . . 0.2012 
# 
_struct.entry_id                     9LML 
_struct.title                        'Room temperature structure of lysozyme by serial synchrotron crystallography (MOSFLM)' 
_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        9LML 
_struct_keywords.text            
'lysozyme, serial crystallography, serial synchrotron crystallography, room temperature, 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 3 ? 
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              9LML 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 129 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00698 
_struct_ref_seq.db_align_beg                  19 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  147 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       129 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 360  ? 
1 MORE         -29  ? 
1 'SSA (A^2)'  6530 ? 
# 
_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   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLY A 4   ? ARG A 14  ? GLY A 4   ARG A 14  1 ? 11 
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 ? ? ? ? ? ? ? 2.011 ? ? 
disulf2 disulf ? ? A CYS 30 SG ? ? ? 1_555 A CYS 115 SG ? ? A CYS 30 A CYS 115 1_555 ? ? ? ? ? ? ? 2.025 ? ? 
disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 80  SG ? ? A CYS 64 A CYS 80  1_555 ? ? ? ? ? ? ? 2.047 ? ? 
disulf4 disulf ? ? A CYS 76 SG ? ? ? 1_555 A CYS 94  SG ? ? A CYS 76 A CYS 94  1_555 ? ? ? ? ? ? ? 2.014 ? ? 
metalc1 metalc ? ? A SER 60 O  ? ? ? 1_555 B NA  .   NA ? ? A SER 60 A NA  201 1_555 ? ? ? ? ? ? ? 2.386 ? ? 
metalc2 metalc ? ? A CYS 64 O  ? ? ? 1_555 B NA  .   NA ? ? A CYS 64 A NA  201 1_555 ? ? ? ? ? ? ? 2.402 ? ? 
metalc3 metalc ? ? A SER 72 OG ? ? ? 1_555 B NA  .   NA ? ? A SER 72 A NA  201 1_555 ? ? ? ? ? ? ? 2.510 ? ? 
metalc4 metalc ? ? A ARG 73 O  ? ? ? 1_555 B NA  .   NA ? ? A ARG 73 A NA  201 1_555 ? ? ? ? ? ? ? 2.548 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 O  ? A SER 60 ? A SER 60 ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A CYS 64 ? A CYS 64 ? 1_555 86.3  ? 
2 O  ? A SER 60 ? A SER 60 ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 OG ? A SER 72 ? A SER 72 ? 1_555 88.6  ? 
3 O  ? A CYS 64 ? A CYS 64 ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 OG ? A SER 72 ? A SER 72 ? 1_555 163.8 ? 
4 O  ? A SER 60 ? A SER 60 ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A ARG 73 ? A ARG 73 ? 1_555 94.0  ? 
5 O  ? A CYS 64 ? A CYS 64 ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A ARG 73 ? A ARG 73 ? 1_555 94.8  ? 
6 OG ? A SER 72 ? A SER 72 ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A ARG 73 ? A ARG 73 ? 1_555 100.9 ? 
# 
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                   9LML 
_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 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    379 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    386 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             1.97 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ARG 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     68 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -143.83 
_pdbx_validate_torsion.psi             23.45 
# 
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 332 ? E HOH . 
2 1 A HOH 344 ? 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 
# 
_pdbx_audit_support.funding_organization   'National Research Foundation (NRF, Korea)' 
_pdbx_audit_support.country                'Korea, Republic Of' 
_pdbx_audit_support.grant_number           NRF-2021R1I1A1A01050838 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   7WUC 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9LML 
_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]   0.012629 
_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]   0.012629 
_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]   0.026076 
_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   ? -9.987  -3.264  8.840   1.00 27.06 ? 1   LYS A N   1 
ATOM   2    C  CA  . LYS A 1 1   ? -10.352 -2.339  9.910   1.00 26.46 ? 1   LYS A CA  1 
ATOM   3    C  C   . LYS A 1 1   ? -11.856 -2.384  10.114  1.00 26.65 ? 1   LYS A C   1 
ATOM   4    O  O   . LYS A 1 1   ? -12.605 -2.406  9.137   1.00 24.91 ? 1   LYS A O   1 
ATOM   5    C  CB  . LYS A 1 1   ? -9.907  -0.910  9.572   1.00 25.37 ? 1   LYS A CB  1 
ATOM   6    C  CG  . LYS A 1 1   ? -10.487 0.145   10.495  1.00 29.67 ? 1   LYS A CG  1 
ATOM   7    C  CD  . LYS A 1 1   ? -9.950  1.529   10.184  1.00 30.28 ? 1   LYS A CD  1 
ATOM   8    C  CE  . LYS A 1 1   ? -10.484 2.527   11.202  1.00 34.70 ? 1   LYS A CE  1 
ATOM   9    N  NZ  . LYS A 1 1   ? -9.850  3.864   11.061  1.00 39.75 ? 1   LYS A NZ  1 
ATOM   10   N  N   . VAL A 1 2   ? -12.293 -2.428  11.368  1.00 24.46 ? 2   VAL A N   1 
ATOM   11   C  CA  . VAL A 1 2   ? -13.708 -2.352  11.710  1.00 25.24 ? 2   VAL A CA  1 
ATOM   12   C  C   . VAL A 1 2   ? -13.967 -0.949  12.239  1.00 28.57 ? 2   VAL A C   1 
ATOM   13   O  O   . VAL A 1 2   ? -13.465 -0.574  13.304  1.00 29.03 ? 2   VAL A O   1 
ATOM   14   C  CB  . VAL A 1 2   ? -14.111 -3.420  12.732  1.00 24.91 ? 2   VAL A CB  1 
ATOM   15   C  CG1 . VAL A 1 2   ? -15.570 -3.256  13.096  1.00 28.21 ? 2   VAL A CG1 1 
ATOM   16   C  CG2 . VAL A 1 2   ? -13.861 -4.820  12.164  1.00 26.39 ? 2   VAL A CG2 1 
ATOM   17   N  N   . PHE A 1 3   ? -14.735 -0.166  11.484  1.00 23.92 ? 3   PHE A N   1 
ATOM   18   C  CA  . PHE A 1 3   ? -15.022 1.214   11.848  1.00 27.13 ? 3   PHE A CA  1 
ATOM   19   C  C   . PHE A 1 3   ? -16.061 1.284   12.955  1.00 27.02 ? 3   PHE A C   1 
ATOM   20   O  O   . PHE A 1 3   ? -16.967 0.452   13.046  1.00 26.66 ? 3   PHE A O   1 
ATOM   21   C  CB  . PHE A 1 3   ? -15.562 1.996   10.647  1.00 25.43 ? 3   PHE A CB  1 
ATOM   22   C  CG  . PHE A 1 3   ? -14.504 2.545   9.736   1.00 24.86 ? 3   PHE A CG  1 
ATOM   23   C  CD1 . PHE A 1 3   ? -13.927 1.749   8.756   1.00 27.92 ? 3   PHE A CD1 1 
ATOM   24   C  CD2 . PHE A 1 3   ? -14.107 3.872   9.830   1.00 27.24 ? 3   PHE A CD2 1 
ATOM   25   C  CE1 . PHE A 1 3   ? -12.959 2.264   7.900   1.00 28.15 ? 3   PHE A CE1 1 
ATOM   26   C  CE2 . PHE A 1 3   ? -13.143 4.389   8.985   1.00 29.86 ? 3   PHE A CE2 1 
ATOM   27   C  CZ  . PHE A 1 3   ? -12.568 3.583   8.013   1.00 32.32 ? 3   PHE A CZ  1 
ATOM   28   N  N   . GLY A 1 4   ? -15.939 2.320   13.783  1.00 29.19 ? 4   GLY A N   1 
ATOM   29   C  CA  . GLY A 1 4   ? -17.070 2.754   14.566  1.00 30.73 ? 4   GLY A CA  1 
ATOM   30   C  C   . GLY A 1 4   ? -18.053 3.536   13.713  1.00 27.00 ? 4   GLY A C   1 
ATOM   31   O  O   . GLY A 1 4   ? -17.700 4.072   12.662  1.00 27.44 ? 4   GLY A O   1 
ATOM   32   N  N   . ARG A 1 5   ? -19.296 3.588   14.194  1.00 28.33 ? 5   ARG A N   1 
ATOM   33   C  CA  . ARG A 1 5   ? -20.383 4.238   13.467  1.00 26.48 ? 5   ARG A CA  1 
ATOM   34   C  C   . ARG A 1 5   ? -20.054 5.695   13.149  1.00 27.53 ? 5   ARG A C   1 
ATOM   35   O  O   . ARG A 1 5   ? -20.051 6.109   11.983  1.00 28.13 ? 5   ARG A O   1 
ATOM   36   C  CB  . ARG A 1 5   ? -21.666 4.134   14.291  1.00 30.38 ? 5   ARG A CB  1 
ATOM   37   C  CG  . ARG A 1 5   ? -22.861 4.838   13.684  1.00 28.46 ? 5   ARG A CG  1 
ATOM   38   C  CD  . ARG A 1 5   ? -24.111 4.600   14.525  1.00 31.45 ? 5   ARG A CD  1 
ATOM   39   N  NE  . ARG A 1 5   ? -24.005 5.157   15.872  1.00 34.07 ? 5   ARG A NE  1 
ATOM   40   C  CZ  . ARG A 1 5   ? -24.391 6.387   16.202  1.00 35.30 ? 5   ARG A CZ  1 
ATOM   41   N  NH1 . ARG A 1 5   ? -24.904 7.193   15.282  1.00 33.42 ? 5   ARG A NH1 1 
ATOM   42   N  NH2 . ARG A 1 5   ? -24.261 6.817   17.451  1.00 39.06 ? 5   ARG A NH2 1 
ATOM   43   N  N   . CYS A 1 6   ? -19.764 6.494   14.184  1.00 27.68 ? 6   CYS A N   1 
ATOM   44   C  CA  . CYS A 1 6   ? -19.475 7.908   13.960  1.00 28.19 ? 6   CYS A CA  1 
ATOM   45   C  C   . CYS A 1 6   ? -18.139 8.113   13.257  1.00 26.02 ? 6   CYS A C   1 
ATOM   46   O  O   . CYS A 1 6   ? -17.983 9.071   12.488  1.00 28.24 ? 6   CYS A O   1 
ATOM   47   C  CB  . CYS A 1 6   ? -19.508 8.669   15.293  1.00 29.98 ? 6   CYS A CB  1 
ATOM   48   S  SG  . CYS A 1 6   ? -21.142 8.703   16.076  1.00 31.27 ? 6   CYS A SG  1 
ATOM   49   N  N   . GLU A 1 7   ? -17.165 7.230   13.500  1.00 26.31 ? 7   GLU A N   1 
ATOM   50   C  CA  . GLU A 1 7   ? -15.905 7.302   12.773  1.00 26.11 ? 7   GLU A CA  1 
ATOM   51   C  C   . GLU A 1 7   ? -16.133 7.153   11.278  1.00 25.44 ? 7   GLU A C   1 
ATOM   52   O  O   . GLU A 1 7   ? -15.554 7.893   10.473  1.00 26.06 ? 7   GLU A O   1 
ATOM   53   C  CB  . GLU A 1 7   ? -14.954 6.216   13.277  1.00 30.05 ? 7   GLU A CB  1 
ATOM   54   C  CG  . GLU A 1 7   ? -13.588 6.223   12.617  1.00 33.18 ? 7   GLU A CG  1 
ATOM   55   C  CD  . GLU A 1 7   ? -12.724 5.056   13.060  1.00 35.68 ? 7   GLU A CD  1 
ATOM   56   O  OE1 . GLU A 1 7   ? -13.278 4.056   13.574  1.00 34.73 ? 7   GLU A OE1 1 
ATOM   57   O  OE2 . GLU A 1 7   ? -11.488 5.146   12.898  1.00 37.54 ? 7   GLU A OE2 1 
ATOM   58   N  N   . LEU A 1 8   ? -16.976 6.193   10.885  1.00 24.38 ? 8   LEU A N   1 
ATOM   59   C  CA  . LEU A 1 8   ? -17.230 5.995   9.466   1.00 25.02 ? 8   LEU A CA  1 
ATOM   60   C  C   . LEU A 1 8   ? -18.038 7.147   8.888   1.00 24.90 ? 8   LEU A C   1 
ATOM   61   O  O   . LEU A 1 8   ? -17.791 7.581   7.757   1.00 25.57 ? 8   LEU A O   1 
ATOM   62   C  CB  . LEU A 1 8   ? -17.949 4.667   9.250   1.00 24.99 ? 8   LEU A CB  1 
ATOM   63   C  CG  . LEU A 1 8   ? -18.290 4.365   7.792   1.00 25.07 ? 8   LEU A CG  1 
ATOM   64   C  CD1 . LEU A 1 8   ? -17.012 4.189   6.997   1.00 25.05 ? 8   LEU A CD1 1 
ATOM   65   C  CD2 . LEU A 1 8   ? -19.178 3.133   7.709   1.00 26.47 ? 8   LEU A CD2 1 
ATOM   66   N  N   . ALA A 1 9   ? -19.017 7.649   9.644   1.00 24.76 ? 9   ALA A N   1 
ATOM   67   C  CA  . ALA A 1 9   ? -19.781 8.804   9.187   1.00 25.35 ? 9   ALA A CA  1 
ATOM   68   C  C   . ALA A 1 9   ? -18.858 9.973   8.858   1.00 24.50 ? 9   ALA A C   1 
ATOM   69   O  O   . ALA A 1 9   ? -18.978 10.596  7.802   1.00 26.01 ? 9   ALA A O   1 
ATOM   70   C  CB  . ALA A 1 9   ? -20.813 9.196   10.247  1.00 24.80 ? 9   ALA A CB  1 
ATOM   71   N  N   . ALA A 1 10  ? -17.900 10.263  9.741   1.00 25.63 ? 10  ALA A N   1 
ATOM   72   C  CA  . ALA A 1 10  ? -16.995 11.379  9.487   1.00 27.96 ? 10  ALA A CA  1 
ATOM   73   C  C   . ALA A 1 10  ? -16.103 11.117  8.278   1.00 26.76 ? 10  ALA A C   1 
ATOM   74   O  O   . ALA A 1 10  ? -15.837 12.028  7.484   1.00 29.02 ? 10  ALA A O   1 
ATOM   75   C  CB  . ALA A 1 10  ? -16.149 11.656  10.724  1.00 32.04 ? 10  ALA A CB  1 
ATOM   76   N  N   . ALA A 1 11  ? -15.619 9.884   8.129   1.00 26.00 ? 11  ALA A N   1 
ATOM   77   C  CA  . ALA A 1 11  ? -14.810 9.543   6.966   1.00 24.55 ? 11  ALA A CA  1 
ATOM   78   C  C   . ALA A 1 11  ? -15.605 9.681   5.672   1.00 27.02 ? 11  ALA A C   1 
ATOM   79   O  O   . ALA A 1 11  ? -15.091 10.193  4.670   1.00 26.40 ? 11  ALA A O   1 
ATOM   80   C  CB  . ALA A 1 11  ? -14.265 8.122   7.117   1.00 27.15 ? 11  ALA A CB  1 
ATOM   81   N  N   . MET A 1 12  ? -16.860 9.227   5.669   1.00 25.54 ? 12  MET A N   1 
ATOM   82   C  CA  . MET A 1 12  ? -17.673 9.340   4.462   1.00 25.14 ? 12  MET A CA  1 
ATOM   83   C  C   . MET A 1 12  ? -17.996 10.796  4.146   1.00 25.26 ? 12  MET A C   1 
ATOM   84   O  O   . MET A 1 12  ? -18.030 11.190  2.972   1.00 28.86 ? 12  MET A O   1 
ATOM   85   C  CB  . MET A 1 12  ? -18.951 8.524   4.621   1.00 24.52 ? 12  MET A CB  1 
ATOM   86   C  CG  . MET A 1 12  ? -18.715 7.034   4.499   1.00 26.54 ? 12  MET A CG  1 
ATOM   87   S  SD  . MET A 1 12  ? -20.241 6.158   4.781   1.00 25.54 ? 12  MET A SD  1 
ATOM   88   C  CE  . MET A 1 12  ? -19.912 4.580   3.993   1.00 25.05 ? 12  MET A CE  1 
ATOM   89   N  N   . LYS A 1 13  ? -18.231 11.606  5.179   1.00 26.39 ? 13  LYS A N   1 
ATOM   90   C  CA  . LYS A 1 13  ? -18.487 13.024  4.954   1.00 29.13 ? 13  LYS A CA  1 
ATOM   91   C  C   . LYS A 1 13  ? -17.270 13.708  4.340   1.00 28.09 ? 13  LYS A C   1 
ATOM   92   O  O   . LYS A 1 13  ? -17.407 14.499  3.401   1.00 30.87 ? 13  LYS A O   1 
ATOM   93   C  CB  . LYS A 1 13  ? -18.899 13.695  6.267   1.00 31.33 ? 13  LYS A CB  1 
ATOM   94   C  CG  . LYS A 1 13  ? -19.268 15.162  6.099   1.00 37.05 ? 13  LYS A CG  1 
ATOM   95   C  CD  . LYS A 1 13  ? -19.990 15.739  7.296   1.00 42.97 ? 13  LYS A CD  1 
ATOM   96   C  CE  . LYS A 1 13  ? -20.407 17.175  6.994   1.00 47.73 ? 13  LYS A CE  1 
ATOM   97   N  NZ  . LYS A 1 13  ? -21.292 17.773  8.026   1.00 51.30 ? 13  LYS A NZ  1 
ATOM   98   N  N   . ARG A 1 14  ? -16.068 13.399  4.846   1.00 28.26 ? 14  ARG A N   1 
ATOM   99   C  CA  . ARG A 1 14  ? -14.804 13.883  4.301   1.00 32.66 ? 14  ARG A CA  1 
ATOM   100  C  C   . ARG A 1 14  ? -14.351 13.075  3.093   1.00 40.25 ? 14  ARG A C   1 
ATOM   101  O  O   . ARG A 1 14  ? -13.150 12.957  2.827   1.00 49.11 ? 14  ARG A O   1 
ATOM   102  C  CB  . ARG A 1 14  ? -13.711 13.873  5.381   1.00 33.67 ? 14  ARG A CB  1 
ATOM   103  C  CG  . ARG A 1 14  ? -12.395 14.563  4.972   1.00 43.09 ? 14  ARG A CG  1 
ATOM   104  C  CD  . ARG A 1 14  ? -11.168 14.108  5.762   1.00 45.99 ? 14  ARG A CD  1 
ATOM   105  N  NE  . ARG A 1 14  ? -10.615 12.809  5.381   1.00 45.11 ? 14  ARG A NE  1 
ATOM   106  C  CZ  . ARG A 1 14  ? -9.682  12.621  4.452   1.00 44.24 ? 14  ARG A CZ  1 
ATOM   107  N  NH1 . ARG A 1 14  ? -9.196  13.644  3.760   1.00 47.13 ? 14  ARG A NH1 1 
ATOM   108  N  NH2 . ARG A 1 14  ? -9.238  11.397  4.215   1.00 49.28 ? 14  ARG A NH2 1 
ATOM   109  N  N   . HIS A 1 15  ? -15.276 12.476  2.376   1.00 31.14 ? 15  HIS A N   1 
ATOM   110  C  CA  . HIS A 1 15  ? -14.967 11.961  1.058   1.00 30.81 ? 15  HIS A CA  1 
ATOM   111  C  C   . HIS A 1 15  ? -16.085 12.344  0.101   1.00 31.92 ? 15  HIS A C   1 
ATOM   112  O  O   . HIS A 1 15  ? -16.108 11.872  -1.040  1.00 33.82 ? 15  HIS A O   1 
ATOM   113  C  CB  . HIS A 1 15  ? -14.719 10.438  1.102   1.00 29.81 ? 15  HIS A CB  1 
ATOM   114  C  CG  . HIS A 1 15  ? -13.303 10.062  1.451   1.00 33.99 ? 15  HIS A CG  1 
ATOM   115  N  ND1 . HIS A 1 15  ? -12.929 9.651   2.714   1.00 33.82 ? 15  HIS A ND1 1 
ATOM   116  C  CD2 . HIS A 1 15  ? -12.170 10.052  0.707   1.00 36.39 ? 15  HIS A CD2 1 
ATOM   117  C  CE1 . HIS A 1 15  ? -11.632 9.399   2.732   1.00 36.60 ? 15  HIS A CE1 1 
ATOM   118  N  NE2 . HIS A 1 15  ? -11.147 9.634   1.526   1.00 36.96 ? 15  HIS A NE2 1 
ATOM   119  N  N   . GLY A 1 16  ? -17.002 13.199  0.546   1.00 29.82 ? 16  GLY A N   1 
ATOM   120  C  CA  . GLY A 1 16  ? -18.000 13.806  -0.308  1.00 28.81 ? 16  GLY A CA  1 
ATOM   121  C  C   . GLY A 1 16  ? -19.302 13.048  -0.465  1.00 29.89 ? 16  GLY A C   1 
ATOM   122  O  O   . GLY A 1 16  ? -20.033 13.315  -1.425  1.00 31.38 ? 16  GLY A O   1 
ATOM   123  N  N   . LEU A 1 17  ? -19.635 12.132  0.442   1.00 29.85 ? 17  LEU A N   1 
ATOM   124  C  CA  . LEU A 1 17  ? -20.832 11.324  0.243   1.00 26.48 ? 17  LEU A CA  1 
ATOM   125  C  C   . LEU A 1 17  ? -22.101 11.939  0.821   1.00 30.06 ? 17  LEU A C   1 
ATOM   126  O  O   . LEU A 1 17  ? -23.199 11.500  0.458   1.00 29.61 ? 17  LEU A O   1 
ATOM   127  C  CB  . LEU A 1 17  ? -20.630 9.924   0.839   1.00 27.24 ? 17  LEU A CB  1 
ATOM   128  C  CG  . LEU A 1 17  ? -19.842 8.896   0.022   1.00 27.92 ? 17  LEU A CG  1 
ATOM   129  C  CD1 . LEU A 1 17  ? -19.832 7.588   0.775   1.00 27.63 ? 17  LEU A CD1 1 
ATOM   130  C  CD2 . LEU A 1 17  ? -20.398 8.667   -1.378  1.00 26.82 ? 17  LEU A CD2 1 
ATOM   131  N  N   . ASP A 1 18  ? -22.001 12.934  1.699   1.00 29.18 ? 18  ASP A N   1 
ATOM   132  C  CA  . ASP A 1 18  ? -23.205 13.517  2.283   1.00 29.74 ? 18  ASP A CA  1 
ATOM   133  C  C   . ASP A 1 18  ? -24.005 14.231  1.201   1.00 32.21 ? 18  ASP A C   1 
ATOM   134  O  O   . ASP A 1 18  ? -23.527 15.206  0.608   1.00 33.11 ? 18  ASP A O   1 
ATOM   135  C  CB  . ASP A 1 18  ? -22.850 14.483  3.411   1.00 34.22 ? 18  ASP A CB  1 
ATOM   136  C  CG  . ASP A 1 18  ? -24.054 14.850  4.279   1.00 36.19 ? 18  ASP A CG  1 
ATOM   137  O  OD1 . ASP A 1 18  ? -25.160 14.270  4.104   1.00 34.50 ? 18  ASP A OD1 1 
ATOM   138  O  OD2 . ASP A 1 18  ? -23.897 15.739  5.148   1.00 42.81 ? 18  ASP A OD2 1 
ATOM   139  N  N   . ASN A 1 19  ? -25.218 13.739  0.948   1.00 29.10 ? 19  ASN A N   1 
ATOM   140  C  CA  . ASN A 1 19  ? -26.112 14.227  -0.099  1.00 28.65 ? 19  ASN A CA  1 
ATOM   141  C  C   . ASN A 1 19  ? -25.553 14.020  -1.500  1.00 28.25 ? 19  ASN A C   1 
ATOM   142  O  O   . ASN A 1 19  ? -25.949 14.726  -2.437  1.00 29.58 ? 19  ASN A O   1 
ATOM   143  C  CB  . ASN A 1 19  ? -26.480 15.700  0.111   1.00 33.50 ? 19  ASN A CB  1 
ATOM   144  C  CG  . ASN A 1 19  ? -26.929 15.982  1.521   1.00 36.87 ? 19  ASN A CG  1 
ATOM   145  O  OD1 . ASN A 1 19  ? -26.241 16.662  2.281   1.00 47.46 ? 19  ASN A OD1 1 
ATOM   146  N  ND2 . ASN A 1 19  ? -28.077 15.427  1.895   1.00 41.69 ? 19  ASN A ND2 1 
ATOM   147  N  N   . TYR A 1 20  ? -24.653 13.056  -1.688  1.00 27.48 ? 20  TYR A N   1 
ATOM   148  C  CA  . TYR A 1 20  ? -24.197 12.746  -3.036  1.00 26.02 ? 20  TYR A CA  1 
ATOM   149  C  C   . TYR A 1 20  ? -25.340 12.112  -3.816  1.00 27.97 ? 20  TYR A C   1 
ATOM   150  O  O   . TYR A 1 20  ? -25.961 11.149  -3.355  1.00 28.41 ? 20  TYR A O   1 
ATOM   151  C  CB  . TYR A 1 20  ? -22.977 11.825  -3.013  1.00 28.58 ? 20  TYR A CB  1 
ATOM   152  C  CG  . TYR A 1 20  ? -22.340 11.678  -4.380  1.00 27.48 ? 20  TYR A CG  1 
ATOM   153  C  CD1 . TYR A 1 20  ? -21.384 12.589  -4.826  1.00 29.22 ? 20  TYR A CD1 1 
ATOM   154  C  CD2 . TYR A 1 20  ? -22.699 10.638  -5.233  1.00 30.96 ? 20  TYR A CD2 1 
ATOM   155  C  CE1 . TYR A 1 20  ? -20.808 12.466  -6.080  1.00 31.59 ? 20  TYR A CE1 1 
ATOM   156  C  CE2 . TYR A 1 20  ? -22.130 10.510  -6.481  1.00 31.04 ? 20  TYR A CE2 1 
ATOM   157  C  CZ  . TYR A 1 20  ? -21.187 11.427  -6.903  1.00 31.56 ? 20  TYR A CZ  1 
ATOM   158  O  OH  . TYR A 1 20  ? -20.622 11.298  -8.150  1.00 38.08 ? 20  TYR A OH  1 
ATOM   159  N  N   . ARG A 1 21  ? -25.630 12.685  -4.986  1.00 28.34 ? 21  ARG A N   1 
ATOM   160  C  CA  . ARG A 1 21  ? -26.809 12.353  -5.790  1.00 29.55 ? 21  ARG A CA  1 
ATOM   161  C  C   . ARG A 1 21  ? -28.076 12.300  -4.939  1.00 25.10 ? 21  ARG A C   1 
ATOM   162  O  O   . ARG A 1 21  ? -28.976 11.486  -5.179  1.00 27.89 ? 21  ARG A O   1 
ATOM   163  C  CB  . ARG A 1 21  ? -26.611 11.045  -6.561  1.00 29.53 ? 21  ARG A CB  1 
ATOM   164  C  CG  . ARG A 1 21  ? -25.517 11.100  -7.619  1.00 35.75 ? 21  ARG A CG  1 
ATOM   165  C  CD  . ARG A 1 21  ? -26.041 11.605  -8.963  1.00 41.05 ? 21  ARG A CD  1 
ATOM   166  N  NE  . ARG A 1 21  ? -26.904 10.627  -9.620  1.00 44.46 ? 21  ARG A NE  1 
ATOM   167  C  CZ  . ARG A 1 21  ? -27.482 10.810  -10.805 1.00 49.78 ? 21  ARG A CZ  1 
ATOM   168  N  NH1 . ARG A 1 21  ? -27.291 11.942  -11.474 1.00 52.22 ? 21  ARG A NH1 1 
ATOM   169  N  NH2 . ARG A 1 21  ? -28.255 9.859   -11.321 1.00 43.89 ? 21  ARG A NH2 1 
ATOM   170  N  N   . GLY A 1 22  ? -28.150 13.164  -3.929  1.00 24.63 ? 22  GLY A N   1 
ATOM   171  C  CA  . GLY A 1 22  ? -29.336 13.311  -3.111  1.00 26.14 ? 22  GLY A CA  1 
ATOM   172  C  C   . GLY A 1 22  ? -29.484 12.337  -1.966  1.00 23.39 ? 22  GLY A C   1 
ATOM   173  O  O   . GLY A 1 22  ? -30.538 12.332  -1.315  1.00 27.41 ? 22  GLY A O   1 
ATOM   174  N  N   . TYR A 1 23  ? -28.460 11.523  -1.679  1.00 23.24 ? 23  TYR A N   1 
ATOM   175  C  CA  . TYR A 1 23  ? -28.530 10.537  -0.602  1.00 25.51 ? 23  TYR A CA  1 
ATOM   176  C  C   . TYR A 1 23  ? -27.815 11.089  0.623   1.00 24.67 ? 23  TYR A C   1 
ATOM   177  O  O   . TYR A 1 23  ? -26.588 11.252  0.613   1.00 25.22 ? 23  TYR A O   1 
ATOM   178  C  CB  . TYR A 1 23  ? -27.924 9.203   -1.035  1.00 22.42 ? 23  TYR A CB  1 
ATOM   179  C  CG  . TYR A 1 23  ? -28.788 8.483   -2.035  1.00 21.35 ? 23  TYR A CG  1 
ATOM   180  C  CD1 . TYR A 1 23  ? -29.837 7.674   -1.616  1.00 20.75 ? 23  TYR A CD1 1 
ATOM   181  C  CD2 . TYR A 1 23  ? -28.570 8.634   -3.396  1.00 22.37 ? 23  TYR A CD2 1 
ATOM   182  C  CE1 . TYR A 1 23  ? -30.645 7.014   -2.534  1.00 21.36 ? 23  TYR A CE1 1 
ATOM   183  C  CE2 . TYR A 1 23  ? -29.375 7.983   -4.332  1.00 21.72 ? 23  TYR A CE2 1 
ATOM   184  C  CZ  . TYR A 1 23  ? -30.406 7.172   -3.889  1.00 21.22 ? 23  TYR A CZ  1 
ATOM   185  O  OH  . TYR A 1 23  ? -31.216 6.515   -4.795  1.00 23.64 ? 23  TYR A OH  1 
ATOM   186  N  N   . SER A 1 24  ? -28.585 11.346  1.681   1.00 24.64 ? 24  SER A N   1 
ATOM   187  C  CA  . SER A 1 24  ? -28.022 11.878  2.911   1.00 23.98 ? 24  SER A CA  1 
ATOM   188  C  C   . SER A 1 24  ? -27.085 10.868  3.562   1.00 25.25 ? 24  SER A C   1 
ATOM   189  O  O   . SER A 1 24  ? -27.139 9.657   3.303   1.00 23.86 ? 24  SER A O   1 
ATOM   190  C  CB  . SER A 1 24  ? -29.126 12.257  3.892   1.00 27.62 ? 24  SER A CB  1 
ATOM   191  O  OG  . SER A 1 24  ? -29.774 11.100  4.398   1.00 29.90 ? 24  SER A OG  1 
ATOM   192  N  N   . LEU A 1 25  ? -26.237 11.391  4.453   1.00 24.54 ? 25  LEU A N   1 
ATOM   193  C  CA  . LEU A 1 25  ? -25.152 10.602  5.030   1.00 22.42 ? 25  LEU A CA  1 
ATOM   194  C  C   . LEU A 1 25  ? -25.660 9.340   5.714   1.00 23.21 ? 25  LEU A C   1 
ATOM   195  O  O   . LEU A 1 25  ? -25.024 8.278   5.622   1.00 21.84 ? 25  LEU A O   1 
ATOM   196  C  CB  . LEU A 1 25  ? -24.365 11.470  6.014   1.00 25.14 ? 25  LEU A CB  1 
ATOM   197  C  CG  . LEU A 1 25  ? -22.994 10.972  6.451   1.00 26.22 ? 25  LEU A CG  1 
ATOM   198  C  CD1 . LEU A 1 25  ? -22.135 10.663  5.243   1.00 27.54 ? 25  LEU A CD1 1 
ATOM   199  C  CD2 . LEU A 1 25  ? -22.308 12.032  7.316   1.00 28.44 ? 25  LEU A CD2 1 
ATOM   200  N  N   . GLY A 1 26  ? -26.789 9.431   6.419   1.00 21.94 ? 26  GLY A N   1 
ATOM   201  C  CA  . GLY A 1 26  ? -27.314 8.267   7.118   1.00 20.44 ? 26  GLY A CA  1 
ATOM   202  C  C   . GLY A 1 26  ? -27.577 7.089   6.200   1.00 21.50 ? 26  GLY A C   1 
ATOM   203  O  O   . GLY A 1 26  ? -27.457 5.936   6.621   1.00 22.94 ? 26  GLY A O   1 
ATOM   204  N  N   . ASN A 1 27  ? -27.946 7.354   4.943   1.00 20.65 ? 27  ASN A N   1 
ATOM   205  C  CA  . ASN A 1 27  ? -28.175 6.264   3.992   1.00 20.12 ? 27  ASN A CA  1 
ATOM   206  C  C   . ASN A 1 27  ? -26.912 5.451   3.779   1.00 19.90 ? 27  ASN A C   1 
ATOM   207  O  O   . ASN A 1 27  ? -26.963 4.215   3.720   1.00 20.49 ? 27  ASN A O   1 
ATOM   208  C  CB  . ASN A 1 27  ? -28.653 6.806   2.646   1.00 21.43 ? 27  ASN A CB  1 
ATOM   209  C  CG  . ASN A 1 27  ? -30.090 7.250   2.677   1.00 21.32 ? 27  ASN A CG  1 
ATOM   210  O  OD1 . ASN A 1 27  ? -30.999 6.424   2.671   1.00 23.62 ? 27  ASN A OD1 1 
ATOM   211  N  ND2 . ASN A 1 27  ? -30.307 8.568   2.725   1.00 23.88 ? 27  ASN A ND2 1 
ATOM   212  N  N   . TRP A 1 28  ? -25.772 6.133   3.651   1.00 21.65 ? 28  TRP A N   1 
ATOM   213  C  CA  . TRP A 1 28  ? -24.507 5.456   3.384   1.00 19.74 ? 28  TRP A CA  1 
ATOM   214  C  C   . TRP A 1 28  ? -24.040 4.672   4.602   1.00 20.16 ? 28  TRP A C   1 
ATOM   215  O  O   . TRP A 1 28  ? -23.531 3.551   4.472   1.00 21.18 ? 28  TRP A O   1 
ATOM   216  C  CB  . TRP A 1 28  ? -23.454 6.489   2.953   1.00 20.46 ? 28  TRP A CB  1 
ATOM   217  C  CG  . TRP A 1 28  ? -23.815 7.189   1.663   1.00 20.45 ? 28  TRP A CG  1 
ATOM   218  C  CD1 . TRP A 1 28  ? -24.367 8.436   1.515   1.00 22.87 ? 28  TRP A CD1 1 
ATOM   219  C  CD2 . TRP A 1 28  ? -23.688 6.649   0.344   1.00 22.70 ? 28  TRP A CD2 1 
ATOM   220  N  NE1 . TRP A 1 28  ? -24.556 8.714   0.176   1.00 22.00 ? 28  TRP A NE1 1 
ATOM   221  C  CE2 . TRP A 1 28  ? -24.148 7.632   -0.560  1.00 21.40 ? 28  TRP A CE2 1 
ATOM   222  C  CE3 . TRP A 1 28  ? -23.196 5.438   -0.165  1.00 23.14 ? 28  TRP A CE3 1 
ATOM   223  C  CZ2 . TRP A 1 28  ? -24.149 7.434   -1.935  1.00 24.08 ? 28  TRP A CZ2 1 
ATOM   224  C  CZ3 . TRP A 1 28  ? -23.200 5.248   -1.535  1.00 25.36 ? 28  TRP A CZ3 1 
ATOM   225  C  CH2 . TRP A 1 28  ? -23.678 6.237   -2.400  1.00 26.99 ? 28  TRP A CH2 1 
ATOM   226  N  N   . VAL A 1 29  ? -24.218 5.237   5.796   1.00 19.54 ? 29  VAL A N   1 
ATOM   227  C  CA  . VAL A 1 29  ? -23.802 4.541   7.010   1.00 19.71 ? 29  VAL A CA  1 
ATOM   228  C  C   . VAL A 1 29  ? -24.676 3.313   7.243   1.00 21.70 ? 29  VAL A C   1 
ATOM   229  O  O   . VAL A 1 29  ? -24.176 2.233   7.588   1.00 20.10 ? 29  VAL A O   1 
ATOM   230  C  CB  . VAL A 1 29  ? -23.832 5.520   8.202   1.00 21.26 ? 29  VAL A CB  1 
ATOM   231  C  CG1 . VAL A 1 29  ? -23.567 4.795   9.524   1.00 23.46 ? 29  VAL A CG1 1 
ATOM   232  C  CG2 . VAL A 1 29  ? -22.837 6.667   7.967   1.00 22.64 ? 29  VAL A CG2 1 
ATOM   233  N  N   . CYS A 1 30  ? -25.991 3.448   7.019   1.00 20.24 ? 30  CYS A N   1 
ATOM   234  C  CA  . CYS A 1 30  ? -26.908 2.320   7.128   1.00 19.32 ? 30  CYS A CA  1 
ATOM   235  C  C   . CYS A 1 30  ? -26.540 1.209   6.145   1.00 19.44 ? 30  CYS A C   1 
ATOM   236  O  O   . CYS A 1 30  ? -26.537 0.025   6.510   1.00 20.59 ? 30  CYS A O   1 
ATOM   237  C  CB  . CYS A 1 30  ? -28.344 2.800   6.889   1.00 19.91 ? 30  CYS A CB  1 
ATOM   238  S  SG  . CYS A 1 30  ? -29.582 1.547   7.145   1.00 21.61 ? 30  CYS A SG  1 
ATOM   239  N  N   . ALA A 1 31  ? -26.232 1.575   4.896   1.00 20.59 ? 31  ALA A N   1 
ATOM   240  C  CA  . ALA A 1 31  ? -25.843 0.577   3.901   1.00 19.58 ? 31  ALA A CA  1 
ATOM   241  C  C   . ALA A 1 31  ? -24.590 -0.163  4.339   1.00 21.65 ? 31  ALA A C   1 
ATOM   242  O  O   . ALA A 1 31  ? -24.534 -1.394  4.279   1.00 22.29 ? 31  ALA A O   1 
ATOM   243  C  CB  . ALA A 1 31  ? -25.634 1.236   2.529   1.00 21.13 ? 31  ALA A CB  1 
ATOM   244  N  N   . ALA A 1 32  ? -23.581 0.572   4.815   1.00 19.39 ? 32  ALA A N   1 
ATOM   245  C  CA  . ALA A 1 32  ? -22.339 -0.075  5.229   1.00 18.63 ? 32  ALA A CA  1 
ATOM   246  C  C   . ALA A 1 32  ? -22.563 -1.000  6.420   1.00 21.29 ? 32  ALA A C   1 
ATOM   247  O  O   . ALA A 1 32  ? -21.957 -2.078  6.506   1.00 20.96 ? 32  ALA A O   1 
ATOM   248  C  CB  . ALA A 1 32  ? -21.288 0.983   5.567   1.00 20.08 ? 32  ALA A CB  1 
ATOM   249  N  N   . LYS A 1 33  ? -23.430 -0.603  7.352   1.00 20.02 ? 33  LYS A N   1 
ATOM   250  C  CA  . LYS A 1 33  ? -23.707 -1.446  8.511   1.00 20.87 ? 33  LYS A CA  1 
ATOM   251  C  C   . LYS A 1 33  ? -24.246 -2.808  8.096   1.00 20.63 ? 33  LYS A C   1 
ATOM   252  O  O   . LYS A 1 33  ? -23.777 -3.855  8.568   1.00 23.25 ? 33  LYS A O   1 
ATOM   253  C  CB  . LYS A 1 33  ? -24.702 -0.739  9.432   1.00 22.86 ? 33  LYS A CB  1 
ATOM   254  C  CG  . LYS A 1 33  ? -25.300 -1.641  10.495  1.00 25.17 ? 33  LYS A CG  1 
ATOM   255  C  CD  . LYS A 1 33  ? -24.267 -2.053  11.529  1.00 29.81 ? 33  LYS A CD  1 
ATOM   256  C  CE  . LYS A 1 33  ? -24.872 -3.020  12.537  1.00 37.06 ? 33  LYS A CE  1 
ATOM   257  N  NZ  . LYS A 1 33  ? -23.928 -3.329  13.643  1.00 41.79 ? 33  LYS A NZ  1 
ATOM   258  N  N   . PHE A 1 34  ? -25.226 -2.824  7.202   1.00 21.00 ? 34  PHE A N   1 
ATOM   259  C  CA  . PHE A 1 34  ? -25.866 -4.087  6.872   1.00 20.54 ? 34  PHE A CA  1 
ATOM   260  C  C   . PHE A 1 34  ? -25.176 -4.826  5.735   1.00 23.61 ? 34  PHE A C   1 
ATOM   261  O  O   . PHE A 1 34  ? -25.358 -6.044  5.612   1.00 26.99 ? 34  PHE A O   1 
ATOM   262  C  CB  . PHE A 1 34  ? -27.346 -3.849  6.567   1.00 21.21 ? 34  PHE A CB  1 
ATOM   263  C  CG  . PHE A 1 34  ? -28.125 -3.393  7.769   1.00 21.65 ? 34  PHE A CG  1 
ATOM   264  C  CD1 . PHE A 1 34  ? -28.084 -4.125  8.945   1.00 22.56 ? 34  PHE A CD1 1 
ATOM   265  C  CD2 . PHE A 1 34  ? -28.843 -2.215  7.743   1.00 25.87 ? 34  PHE A CD2 1 
ATOM   266  C  CE1 . PHE A 1 34  ? -28.776 -3.702  10.070  1.00 24.23 ? 34  PHE A CE1 1 
ATOM   267  C  CE2 . PHE A 1 34  ? -29.548 -1.792  8.868   1.00 27.41 ? 34  PHE A CE2 1 
ATOM   268  C  CZ  . PHE A 1 34  ? -29.514 -2.538  10.022  1.00 22.99 ? 34  PHE A CZ  1 
ATOM   269  N  N   . GLU A 1 35  ? -24.347 -4.149  4.940   1.00 19.83 ? 35  GLU A N   1 
ATOM   270  C  CA  . GLU A 1 35  ? -23.572 -4.870  3.932   1.00 20.20 ? 35  GLU A CA  1 
ATOM   271  C  C   . GLU A 1 35  ? -22.365 -5.574  4.537   1.00 22.17 ? 35  GLU A C   1 
ATOM   272  O  O   . GLU A 1 35  ? -22.055 -6.703  4.158   1.00 23.45 ? 35  GLU A O   1 
ATOM   273  C  CB  . GLU A 1 35  ? -23.102 -3.917  2.837   1.00 20.37 ? 35  GLU A CB  1 
ATOM   274  C  CG  . GLU A 1 35  ? -24.202 -3.412  1.915   1.00 21.52 ? 35  GLU A CG  1 
ATOM   275  C  CD  . GLU A 1 35  ? -24.771 -4.486  0.998   1.00 25.18 ? 35  GLU A CD  1 
ATOM   276  O  OE1 . GLU A 1 35  ? -24.176 -5.587  0.892   1.00 24.63 ? 35  GLU A OE1 1 
ATOM   277  O  OE2 . GLU A 1 35  ? -25.829 -4.230  0.387   1.00 25.46 ? 35  GLU A OE2 1 
ATOM   278  N  N   . SER A 1 36  ? -21.662 -4.922  5.469   1.00 20.89 ? 36  SER A N   1 
ATOM   279  C  CA  . SER A 1 36  ? -20.360 -5.412  5.906   1.00 20.30 ? 36  SER A CA  1 
ATOM   280  C  C   . SER A 1 36  ? -20.140 -5.352  7.409   1.00 22.44 ? 36  SER A C   1 
ATOM   281  O  O   . SER A 1 36  ? -19.047 -5.718  7.862   1.00 24.03 ? 36  SER A O   1 
ATOM   282  C  CB  . SER A 1 36  ? -19.265 -4.595  5.226   1.00 22.08 ? 36  SER A CB  1 
ATOM   283  O  OG  . SER A 1 36  ? -19.243 -3.299  5.810   1.00 20.63 ? 36  SER A OG  1 
ATOM   284  N  N   . ASN A 1 37  ? -21.111 -4.869  8.188   1.00 21.26 ? 37  ASN A N   1 
ATOM   285  C  CA  . ASN A 1 37  ? -20.938 -4.638  9.630   1.00 26.58 ? 37  ASN A CA  1 
ATOM   286  C  C   . ASN A 1 37  ? -19.729 -3.747  9.903   1.00 24.32 ? 37  ASN A C   1 
ATOM   287  O  O   . ASN A 1 37  ? -19.006 -3.924  10.890  1.00 24.53 ? 37  ASN A O   1 
ATOM   288  C  CB  . ASN A 1 37  ? -20.837 -5.955  10.397  1.00 29.50 ? 37  ASN A CB  1 
ATOM   289  C  CG  . ASN A 1 37  ? -21.243 -5.810  11.846  1.00 36.45 ? 37  ASN A CG  1 
ATOM   290  O  OD1 . ASN A 1 37  ? -22.036 -4.932  12.197  1.00 36.28 ? 37  ASN A OD1 1 
ATOM   291  N  ND2 . ASN A 1 37  ? -20.694 -6.666  12.701  1.00 40.54 ? 37  ASN A ND2 1 
ATOM   292  N  N   . PHE A 1 38  ? -19.507 -2.784  9.005   1.00 21.06 ? 38  PHE A N   1 
ATOM   293  C  CA  . PHE A 1 38  ? -18.474 -1.751  9.106   1.00 19.89 ? 38  PHE A CA  1 
ATOM   294  C  C   . PHE A 1 38  ? -17.059 -2.304  8.963   1.00 21.98 ? 38  PHE A C   1 
ATOM   295  O  O   . PHE A 1 38  ? -16.098 -1.644  9.365   1.00 23.72 ? 38  PHE A O   1 
ATOM   296  C  CB  . PHE A 1 38  ? -18.560 -0.965  10.429  1.00 22.31 ? 38  PHE A CB  1 
ATOM   297  C  CG  . PHE A 1 38  ? -19.838 -0.164  10.622  1.00 23.49 ? 38  PHE A CG  1 
ATOM   298  C  CD1 . PHE A 1 38  ? -20.465 0.458   9.564   1.00 22.03 ? 38  PHE A CD1 1 
ATOM   299  C  CD2 . PHE A 1 38  ? -20.362 0.001   11.894  1.00 25.91 ? 38  PHE A CD2 1 
ATOM   300  C  CE1 . PHE A 1 38  ? -21.627 1.207   9.765   1.00 25.29 ? 38  PHE A CE1 1 
ATOM   301  C  CE2 . PHE A 1 38  ? -21.506 0.756   12.110  1.00 25.21 ? 38  PHE A CE2 1 
ATOM   302  C  CZ  . PHE A 1 38  ? -22.141 1.358   11.045  1.00 24.03 ? 38  PHE A CZ  1 
ATOM   303  N  N   . ASN A 1 39  ? -16.898 -3.487  8.368   1.00 21.07 ? 39  ASN A N   1 
ATOM   304  C  CA  . ASN A 1 39  ? -15.611 -4.172  8.271   1.00 20.40 ? 39  ASN A CA  1 
ATOM   305  C  C   . ASN A 1 39  ? -15.073 -4.029  6.852   1.00 19.88 ? 39  ASN A C   1 
ATOM   306  O  O   . ASN A 1 39  ? -15.686 -4.530  5.902   1.00 21.89 ? 39  ASN A O   1 
ATOM   307  C  CB  . ASN A 1 39  ? -15.794 -5.644  8.656   1.00 19.82 ? 39  ASN A CB  1 
ATOM   308  C  CG  . ASN A 1 39  ? -14.518 -6.449  8.575   1.00 21.21 ? 39  ASN A CG  1 
ATOM   309  O  OD1 . ASN A 1 39  ? -13.443 -5.914  8.329   1.00 22.83 ? 39  ASN A OD1 1 
ATOM   310  N  ND2 . ASN A 1 39  ? -14.630 -7.748  8.840   1.00 27.69 ? 39  ASN A ND2 1 
ATOM   311  N  N   . THR A 1 40  ? -13.926 -3.350  6.703   1.00 19.42 ? 40  THR A N   1 
ATOM   312  C  CA  . THR A 1 40  ? -13.376 -3.164  5.366   1.00 21.92 ? 40  THR A CA  1 
ATOM   313  C  C   . THR A 1 40  ? -12.922 -4.479  4.737   1.00 21.25 ? 40  THR A C   1 
ATOM   314  O  O   . THR A 1 40  ? -12.810 -4.543  3.512   1.00 23.10 ? 40  THR A O   1 
ATOM   315  C  CB  . THR A 1 40  ? -12.197 -2.182  5.370   1.00 22.77 ? 40  THR A CB  1 
ATOM   316  O  OG1 . THR A 1 40  ? -11.085 -2.767  6.062   1.00 23.62 ? 40  THR A OG1 1 
ATOM   317  C  CG2 . THR A 1 40  ? -12.563 -0.844  6.031   1.00 24.62 ? 40  THR A CG2 1 
ATOM   318  N  N   . GLN A 1 41  ? -12.687 -5.529  5.523   1.00 20.11 ? 41  GLN A N   1 
ATOM   319  C  CA  . GLN A 1 41  ? -12.157 -6.767  4.957   1.00 20.18 ? 41  GLN A CA  1 
ATOM   320  C  C   . GLN A 1 41  ? -13.240 -7.766  4.566   1.00 21.00 ? 41  GLN A C   1 
ATOM   321  O  O   . GLN A 1 41  ? -12.909 -8.893  4.174   1.00 25.34 ? 41  GLN A O   1 
ATOM   322  C  CB  . GLN A 1 41  ? -11.175 -7.417  5.937   1.00 22.05 ? 41  GLN A CB  1 
ATOM   323  C  CG  . GLN A 1 41  ? -9.963  -6.560  6.241   1.00 25.11 ? 41  GLN A CG  1 
ATOM   324  C  CD  . GLN A 1 41  ? -8.853  -7.355  6.883   1.00 25.74 ? 41  GLN A CD  1 
ATOM   325  O  OE1 . GLN A 1 41  ? -8.206  -8.164  6.222   1.00 28.54 ? 41  GLN A OE1 1 
ATOM   326  N  NE2 . GLN A 1 41  ? -8.655  -7.167  8.182   1.00 22.87 ? 41  GLN A NE2 1 
ATOM   327  N  N   . ALA A 1 42  ? -14.519 -7.390  4.640   1.00 20.07 ? 42  ALA A N   1 
ATOM   328  C  CA  . ALA A 1 42  ? -15.589 -8.342  4.364   1.00 20.72 ? 42  ALA A CA  1 
ATOM   329  C  C   . ALA A 1 42  ? -15.589 -8.770  2.898   1.00 21.20 ? 42  ALA A C   1 
ATOM   330  O  O   . ALA A 1 42  ? -15.465 -7.935  1.997   1.00 21.19 ? 42  ALA A O   1 
ATOM   331  C  CB  . ALA A 1 42  ? -16.944 -7.732  4.727   1.00 21.65 ? 42  ALA A CB  1 
ATOM   332  N  N   . THR A 1 43  ? -15.761 -10.073 2.666   1.00 20.22 ? 43  THR A N   1 
ATOM   333  C  CA  . THR A 1 43  ? -15.940 -10.627 1.328   1.00 23.98 ? 43  THR A CA  1 
ATOM   334  C  C   . THR A 1 43  ? -17.072 -11.638 1.360   1.00 22.88 ? 43  THR A C   1 
ATOM   335  O  O   . THR A 1 43  ? -17.279 -12.328 2.361   1.00 25.03 ? 43  THR A O   1 
ATOM   336  C  CB  . THR A 1 43  ? -14.682 -11.331 0.787   1.00 22.99 ? 43  THR A CB  1 
ATOM   337  O  OG1 . THR A 1 43  ? -14.305 -12.388 1.681   1.00 24.61 ? 43  THR A OG1 1 
ATOM   338  C  CG2 . THR A 1 43  ? -13.520 -10.369 0.620   1.00 23.92 ? 43  THR A CG2 1 
ATOM   339  N  N   . ASN A 1 44  ? -17.795 -11.739 0.248   1.00 20.95 ? 44  ASN A N   1 
ATOM   340  C  CA  . ASN A 1 44  ? -18.863 -12.729 0.143   1.00 22.83 ? 44  ASN A CA  1 
ATOM   341  C  C   . ASN A 1 44  ? -18.999 -13.182 -1.302  1.00 20.74 ? 44  ASN A C   1 
ATOM   342  O  O   . ASN A 1 44  ? -19.058 -12.346 -2.206  1.00 23.18 ? 44  ASN A O   1 
ATOM   343  C  CB  . ASN A 1 44  ? -20.194 -12.157 0.638   1.00 24.70 ? 44  ASN A CB  1 
ATOM   344  C  CG  . ASN A 1 44  ? -20.246 -12.028 2.149   1.00 29.83 ? 44  ASN A CG  1 
ATOM   345  O  OD1 . ASN A 1 44  ? -20.341 -13.026 2.866   1.00 34.58 ? 44  ASN A OD1 1 
ATOM   346  N  ND2 . ASN A 1 44  ? -20.184 -10.798 2.642   1.00 31.48 ? 44  ASN A ND2 1 
ATOM   347  N  N   . ARG A 1 45  ? -19.088 -14.500 -1.508  1.00 24.86 ? 45  ARG A N   1 
ATOM   348  C  CA  . ARG A 1 45  ? -19.192 -15.072 -2.847  1.00 24.17 ? 45  ARG A CA  1 
ATOM   349  C  C   . ARG A 1 45  ? -20.647 -15.161 -3.283  1.00 27.42 ? 45  ARG A C   1 
ATOM   350  O  O   . ARG A 1 45  ? -21.520 -15.554 -2.503  1.00 29.28 ? 45  ARG A O   1 
ATOM   351  C  CB  . ARG A 1 45  ? -18.564 -16.467 -2.880  1.00 29.76 ? 45  ARG A CB  1 
ATOM   352  C  CG  . ARG A 1 45  ? -18.298 -16.990 -4.282  1.00 30.89 ? 45  ARG A CG  1 
ATOM   353  C  CD  . ARG A 1 45  ? -16.850 -16.748 -4.624  1.00 34.04 ? 45  ARG A CD  1 
ATOM   354  N  NE  . ARG A 1 45  ? -16.542 -16.891 -6.043  1.00 40.04 ? 45  ARG A NE  1 
ATOM   355  C  CZ  . ARG A 1 45  ? -15.720 -17.815 -6.535  1.00 37.91 ? 45  ARG A CZ  1 
ATOM   356  N  NH1 . ARG A 1 45  ? -15.144 -18.693 -5.720  1.00 39.63 ? 45  ARG A NH1 1 
ATOM   357  N  NH2 . ARG A 1 45  ? -15.482 -17.869 -7.839  1.00 36.53 ? 45  ARG A NH2 1 
ATOM   358  N  N   . ASN A 1 46  ? -20.902 -14.807 -4.536  1.00 23.68 ? 46  ASN A N   1 
ATOM   359  C  CA  . ASN A 1 46  ? -22.238 -14.882 -5.109  1.00 28.89 ? 46  ASN A CA  1 
ATOM   360  C  C   . ASN A 1 46  ? -22.407 -16.189 -5.881  1.00 30.70 ? 46  ASN A C   1 
ATOM   361  O  O   . ASN A 1 46  ? -21.436 -16.858 -6.236  1.00 33.06 ? 46  ASN A O   1 
ATOM   362  C  CB  . ASN A 1 46  ? -22.501 -13.687 -6.030  1.00 29.61 ? 46  ASN A CB  1 
ATOM   363  C  CG  . ASN A 1 46  ? -22.306 -12.347 -5.330  1.00 29.28 ? 46  ASN A CG  1 
ATOM   364  O  OD1 . ASN A 1 46  ? -22.851 -12.115 -4.253  1.00 31.95 ? 46  ASN A OD1 1 
ATOM   365  N  ND2 . ASN A 1 46  ? -21.531 -11.457 -5.951  1.00 28.80 ? 46  ASN A ND2 1 
ATOM   366  N  N   . THR A 1 47  ? -23.667 -16.537 -6.157  1.00 34.50 ? 47  THR A N   1 
ATOM   367  C  CA  . THR A 1 47  ? -23.950 -17.818 -6.804  1.00 36.38 ? 47  THR A CA  1 
ATOM   368  C  C   . THR A 1 47  ? -23.351 -17.886 -8.205  1.00 37.27 ? 47  THR A C   1 
ATOM   369  O  O   . THR A 1 47  ? -22.911 -18.956 -8.647  1.00 38.97 ? 47  THR A O   1 
ATOM   370  C  CB  . THR A 1 47  ? -25.461 -18.069 -6.856  1.00 39.57 ? 47  THR A CB  1 
ATOM   371  O  OG1 . THR A 1 47  ? -26.114 -16.987 -7.535  1.00 44.23 ? 47  THR A OG1 1 
ATOM   372  C  CG2 . THR A 1 47  ? -26.026 -18.192 -5.450  1.00 41.04 ? 47  THR A CG2 1 
ATOM   373  N  N   . ASP A 1 48  ? -23.309 -16.757 -8.914  1.00 31.86 ? 48  ASP A N   1 
ATOM   374  C  CA  . ASP A 1 48  ? -22.784 -16.753 -10.274 1.00 35.44 ? 48  ASP A CA  1 
ATOM   375  C  C   . ASP A 1 48  ? -21.261 -16.785 -10.325 1.00 35.43 ? 48  ASP A C   1 
ATOM   376  O  O   . ASP A 1 48  ? -20.696 -16.746 -11.423 1.00 35.39 ? 48  ASP A O   1 
ATOM   377  C  CB  . ASP A 1 48  ? -23.315 -15.538 -11.052 1.00 35.17 ? 48  ASP A CB  1 
ATOM   378  C  CG  . ASP A 1 48  ? -22.865 -14.200 -10.467 1.00 36.68 ? 48  ASP A CG  1 
ATOM   379  O  OD1 . ASP A 1 48  ? -22.121 -14.179 -9.465  1.00 34.38 ? 48  ASP A OD1 1 
ATOM   380  O  OD2 . ASP A 1 48  ? -23.280 -13.155 -11.012 1.00 40.58 ? 48  ASP A OD2 1 
ATOM   381  N  N   . GLY A 1 49  ? -20.583 -16.865 -9.180  1.00 31.18 ? 49  GLY A N   1 
ATOM   382  C  CA  . GLY A 1 49  ? -19.138 -16.928 -9.150  1.00 28.38 ? 49  GLY A CA  1 
ATOM   383  C  C   . GLY A 1 49  ? -18.445 -15.599 -8.928  1.00 31.16 ? 49  GLY A C   1 
ATOM   384  O  O   . GLY A 1 49  ? -17.228 -15.584 -8.705  1.00 29.70 ? 49  GLY A O   1 
ATOM   385  N  N   . SER A 1 50  ? -19.174 -14.489 -8.997  1.00 26.32 ? 50  SER A N   1 
ATOM   386  C  CA  . SER A 1 50  ? -18.600 -13.205 -8.636  1.00 23.26 ? 50  SER A CA  1 
ATOM   387  C  C   . SER A 1 50  ? -18.470 -13.113 -7.116  1.00 22.53 ? 50  SER A C   1 
ATOM   388  O  O   . SER A 1 50  ? -18.979 -13.946 -6.371  1.00 23.43 ? 50  SER A O   1 
ATOM   389  C  CB  . SER A 1 50  ? -19.465 -12.070 -9.169  1.00 24.24 ? 50  SER A CB  1 
ATOM   390  O  OG  . SER A 1 50  ? -20.761 -12.122 -8.580  1.00 26.46 ? 50  SER A OG  1 
ATOM   391  N  N   . THR A 1 51  ? -17.770 -12.081 -6.660  1.00 20.96 ? 51  THR A N   1 
ATOM   392  C  CA  . THR A 1 51  ? -17.532 -11.865 -5.234  1.00 19.59 ? 51  THR A CA  1 
ATOM   393  C  C   . THR A 1 51  ? -17.787 -10.400 -4.908  1.00 18.74 ? 51  THR A C   1 
ATOM   394  O  O   . THR A 1 51  ? -17.491 -9.525  -5.728  1.00 21.68 ? 51  THR A O   1 
ATOM   395  C  CB  . THR A 1 51  ? -16.080 -12.254 -4.849  1.00 20.77 ? 51  THR A CB  1 
ATOM   396  O  OG1 . THR A 1 51  ? -15.846 -13.627 -5.192  1.00 22.70 ? 51  THR A OG1 1 
ATOM   397  C  CG2 . THR A 1 51  ? -15.836 -12.098 -3.358  1.00 21.07 ? 51  THR A CG2 1 
ATOM   398  N  N   . ASP A 1 52  ? -18.341 -10.139 -3.716  1.00 20.08 ? 52  ASP A N   1 
ATOM   399  C  CA  . ASP A 1 52  ? -18.529 -8.785  -3.194  1.00 20.00 ? 52  ASP A CA  1 
ATOM   400  C  C   . ASP A 1 52  ? -17.414 -8.429  -2.212  1.00 19.91 ? 52  ASP A C   1 
ATOM   401  O  O   . ASP A 1 52  ? -17.050 -9.241  -1.356  1.00 21.33 ? 52  ASP A O   1 
ATOM   402  C  CB  . ASP A 1 52  ? -19.877 -8.634  -2.478  1.00 21.42 ? 52  ASP A CB  1 
ATOM   403  C  CG  . ASP A 1 52  ? -21.064 -8.878  -3.383  1.00 26.34 ? 52  ASP A CG  1 
ATOM   404  O  OD1 . ASP A 1 52  ? -20.948 -8.733  -4.619  1.00 25.39 ? 52  ASP A OD1 1 
ATOM   405  O  OD2 . ASP A 1 52  ? -22.146 -9.179  -2.841  1.00 34.95 ? 52  ASP A OD2 1 
ATOM   406  N  N   . TYR A 1 53  ? -16.923 -7.190  -2.290  1.00 19.19 ? 53  TYR A N   1 
ATOM   407  C  CA  . TYR A 1 53  ? -15.709 -6.770  -1.585  1.00 18.60 ? 53  TYR A CA  1 
ATOM   408  C  C   . TYR A 1 53  ? -15.911 -5.504  -0.766  1.00 20.69 ? 53  TYR A C   1 
ATOM   409  O  O   . TYR A 1 53  ? -16.351 -4.477  -1.299  1.00 20.84 ? 53  TYR A O   1 
ATOM   410  C  CB  . TYR A 1 53  ? -14.569 -6.508  -2.583  1.00 21.01 ? 53  TYR A CB  1 
ATOM   411  C  CG  . TYR A 1 53  ? -14.075 -7.744  -3.284  1.00 19.86 ? 53  TYR A CG  1 
ATOM   412  C  CD1 . TYR A 1 53  ? -14.646 -8.149  -4.477  1.00 18.93 ? 53  TYR A CD1 1 
ATOM   413  C  CD2 . TYR A 1 53  ? -13.038 -8.513  -2.755  1.00 20.76 ? 53  TYR A CD2 1 
ATOM   414  C  CE1 . TYR A 1 53  ? -14.215 -9.289  -5.128  1.00 18.41 ? 53  TYR A CE1 1 
ATOM   415  C  CE2 . TYR A 1 53  ? -12.603 -9.659  -3.403  1.00 20.40 ? 53  TYR A CE2 1 
ATOM   416  C  CZ  . TYR A 1 53  ? -13.198 -10.040 -4.585  1.00 20.88 ? 53  TYR A CZ  1 
ATOM   417  O  OH  . TYR A 1 53  ? -12.779 -11.177 -5.265  1.00 22.23 ? 53  TYR A OH  1 
ATOM   418  N  N   . GLY A 1 54  ? -15.509 -5.554  0.506   1.00 20.20 ? 54  GLY A N   1 
ATOM   419  C  CA  . GLY A 1 54  ? -15.269 -4.338  1.260   1.00 21.36 ? 54  GLY A CA  1 
ATOM   420  C  C   . GLY A 1 54  ? -16.494 -3.809  1.974   1.00 20.10 ? 54  GLY A C   1 
ATOM   421  O  O   . GLY A 1 54  ? -17.540 -4.456  2.089   1.00 19.94 ? 54  GLY A O   1 
ATOM   422  N  N   . ILE A 1 55  ? -16.335 -2.579  2.474   1.00 21.05 ? 55  ILE A N   1 
ATOM   423  C  CA  . ILE A 1 55  ? -17.306 -1.996  3.394   1.00 20.97 ? 55  ILE A CA  1 
ATOM   424  C  C   . ILE A 1 55  ? -18.662 -1.802  2.724   1.00 20.63 ? 55  ILE A C   1 
ATOM   425  O  O   . ILE A 1 55  ? -19.693 -1.834  3.403   1.00 22.42 ? 55  ILE A O   1 
ATOM   426  C  CB  . ILE A 1 55  ? -16.740 -0.679  3.979   1.00 26.32 ? 55  ILE A CB  1 
ATOM   427  C  CG1 . ILE A 1 55  ? -17.541 -0.240  5.206   1.00 29.66 ? 55  ILE A CG1 1 
ATOM   428  C  CG2 . ILE A 1 55  ? -16.617 0.402   2.908   1.00 26.17 ? 55  ILE A CG2 1 
ATOM   429  C  CD1 . ILE A 1 55  ? -16.712 0.430   6.277   1.00 31.03 ? 55  ILE A CD1 1 
ATOM   430  N  N   . LEU A 1 56  ? -18.689 -1.614  1.398   1.00 21.31 ? 56  LEU A N   1 
ATOM   431  C  CA  . LEU A 1 56  ? -19.927 -1.475  0.638   1.00 21.23 ? 56  LEU A CA  1 
ATOM   432  C  C   . LEU A 1 56  ? -20.183 -2.645  -0.309  1.00 22.60 ? 56  LEU A C   1 
ATOM   433  O  O   . LEU A 1 56  ? -21.068 -2.556  -1.169  1.00 22.21 ? 56  LEU A O   1 
ATOM   434  C  CB  . LEU A 1 56  ? -19.930 -0.154  -0.131  1.00 22.11 ? 56  LEU A CB  1 
ATOM   435  C  CG  . LEU A 1 56  ? -20.148 1.075   0.767   1.00 24.34 ? 56  LEU A CG  1 
ATOM   436  C  CD1 . LEU A 1 56  ? -19.894 2.348   -0.020  1.00 28.94 ? 56  LEU A CD1 1 
ATOM   437  C  CD2 . LEU A 1 56  ? -21.544 1.064   1.337   1.00 25.34 ? 56  LEU A CD2 1 
ATOM   438  N  N   . GLN A 1 57  ? -19.433 -3.742  -0.169  1.00 21.12 ? 57  GLN A N   1 
ATOM   439  C  CA  . GLN A 1 57  ? -19.746 -5.011  -0.837  1.00 18.50 ? 57  GLN A CA  1 
ATOM   440  C  C   . GLN A 1 57  ? -19.931 -4.823  -2.343  1.00 19.37 ? 57  GLN A C   1 
ATOM   441  O  O   . GLN A 1 57  ? -20.935 -5.231  -2.938  1.00 23.34 ? 57  GLN A O   1 
ATOM   442  C  CB  . GLN A 1 57  ? -20.963 -5.675  -0.192  1.00 23.00 ? 57  GLN A CB  1 
ATOM   443  C  CG  . GLN A 1 57  ? -20.648 -6.268  1.182   1.00 20.13 ? 57  GLN A CG  1 
ATOM   444  C  CD  . GLN A 1 57  ? -19.690 -7.438  1.098   1.00 20.86 ? 57  GLN A CD  1 
ATOM   445  O  OE1 . GLN A 1 57  ? -20.108 -8.562  0.836   1.00 23.36 ? 57  GLN A OE1 1 
ATOM   446  N  NE2 . GLN A 1 57  ? -18.396 -7.176  1.303   1.00 20.41 ? 57  GLN A NE2 1 
ATOM   447  N  N   . ILE A 1 58  ? -18.915 -4.234  -2.960  1.00 20.00 ? 58  ILE A N   1 
ATOM   448  C  CA  . ILE A 1 58  ? -18.933 -3.928  -4.387  1.00 19.63 ? 58  ILE A CA  1 
ATOM   449  C  C   . ILE A 1 58  ? -18.592 -5.190  -5.175  1.00 20.80 ? 58  ILE A C   1 
ATOM   450  O  O   . ILE A 1 58  ? -17.649 -5.919  -4.833  1.00 20.87 ? 58  ILE A O   1 
ATOM   451  C  CB  . ILE A 1 58  ? -17.964 -2.768  -4.672  1.00 21.24 ? 58  ILE A CB  1 
ATOM   452  C  CG1 . ILE A 1 58  ? -18.530 -1.474  -4.062  1.00 23.26 ? 58  ILE A CG1 1 
ATOM   453  C  CG2 . ILE A 1 58  ? -17.705 -2.632  -6.170  1.00 24.21 ? 58  ILE A CG2 1 
ATOM   454  C  CD1 . ILE A 1 58  ? -17.598 -0.289  -4.133  1.00 28.42 ? 58  ILE A CD1 1 
ATOM   455  N  N   . ASN A 1 59  ? -19.368 -5.448  -6.242  1.00 22.68 ? 59  ASN A N   1 
ATOM   456  C  CA  . ASN A 1 59  ? -19.404 -6.735  -6.946  1.00 23.08 ? 59  ASN A CA  1 
ATOM   457  C  C   . ASN A 1 59  ? -18.398 -6.785  -8.096  1.00 22.43 ? 59  ASN A C   1 
ATOM   458  O  O   . ASN A 1 59  ? -18.332 -5.863  -8.918  1.00 23.81 ? 59  ASN A O   1 
ATOM   459  C  CB  . ASN A 1 59  ? -20.830 -6.967  -7.471  1.00 25.89 ? 59  ASN A CB  1 
ATOM   460  C  CG  . ASN A 1 59  ? -21.082 -8.391  -7.968  1.00 26.80 ? 59  ASN A CG  1 
ATOM   461  O  OD1 . ASN A 1 59  ? -20.166 -9.159  -8.240  1.00 32.58 ? 59  ASN A OD1 1 
ATOM   462  N  ND2 . ASN A 1 59  ? -22.359 -8.733  -8.108  1.00 35.02 ? 59  ASN A ND2 1 
ATOM   463  N  N   . SER A 1 60  ? -17.637 -7.883  -8.167  1.00 22.73 ? 60  SER A N   1 
ATOM   464  C  CA  . SER A 1 60  ? -16.657 -8.071  -9.228  1.00 20.88 ? 60  SER A CA  1 
ATOM   465  C  C   . SER A 1 60  ? -17.275 -8.375  -10.585 1.00 23.59 ? 60  SER A C   1 
ATOM   466  O  O   . SER A 1 60  ? -16.543 -8.356  -11.580 1.00 25.96 ? 60  SER A O   1 
ATOM   467  C  CB  . SER A 1 60  ? -15.687 -9.194  -8.852  1.00 20.54 ? 60  SER A CB  1 
ATOM   468  O  OG  . SER A 1 60  ? -16.351 -10.458 -8.873  1.00 20.93 ? 60  SER A OG  1 
ATOM   469  N  N   . ARG A 1 61  ? -18.577 -8.670  -10.656 1.00 22.72 ? 61  ARG A N   1 
ATOM   470  C  CA  . ARG A 1 61  ? -19.191 -8.889  -11.964 1.00 28.86 ? 61  ARG A CA  1 
ATOM   471  C  C   . ARG A 1 61  ? -19.119 -7.638  -12.833 1.00 31.42 ? 61  ARG A C   1 
ATOM   472  O  O   . ARG A 1 61  ? -19.008 -7.741  -14.062 1.00 30.31 ? 61  ARG A O   1 
ATOM   473  C  CB  . ARG A 1 61  ? -20.643 -9.348  -11.798 1.00 28.91 ? 61  ARG A CB  1 
ATOM   474  C  CG  . ARG A 1 61  ? -21.388 -9.528  -13.125 1.00 37.91 ? 61  ARG A CG  1 
ATOM   475  C  CD  . ARG A 1 61  ? -22.221 -10.805 -13.152 1.00 43.41 ? 61  ARG A CD  1 
ATOM   476  N  NE  . ARG A 1 61  ? -21.470 -11.985 -12.718 1.00 45.76 ? 61  ARG A NE  1 
ATOM   477  C  CZ  . ARG A 1 61  ? -20.633 -12.682 -13.482 1.00 44.10 ? 61  ARG A CZ  1 
ATOM   478  N  NH1 . ARG A 1 61  ? -20.422 -12.334 -14.747 1.00 49.80 ? 61  ARG A NH1 1 
ATOM   479  N  NH2 . ARG A 1 61  ? -20.005 -13.739 -12.978 1.00 43.74 ? 61  ARG A NH2 1 
ATOM   480  N  N   . TRP A 1 62  ? -19.150 -6.450  -12.222 1.00 25.74 ? 62  TRP A N   1 
ATOM   481  C  CA  . TRP A 1 62  ? -19.201 -5.215  -12.996 1.00 26.28 ? 62  TRP A CA  1 
ATOM   482  C  C   . TRP A 1 62  ? -18.106 -4.213  -12.665 1.00 25.65 ? 62  TRP A C   1 
ATOM   483  O  O   . TRP A 1 62  ? -17.715 -3.431  -13.531 1.00 26.13 ? 62  TRP A O   1 
ATOM   484  C  CB  . TRP A 1 62  ? -20.548 -4.512  -12.804 1.00 28.59 ? 62  TRP A CB  1 
ATOM   485  C  CG  . TRP A 1 62  ? -21.723 -5.343  -13.178 1.00 32.64 ? 62  TRP A CG  1 
ATOM   486  C  CD1 . TRP A 1 62  ? -22.552 -6.022  -12.335 1.00 35.12 ? 62  TRP A CD1 1 
ATOM   487  C  CD2 . TRP A 1 62  ? -22.206 -5.585  -14.499 1.00 37.76 ? 62  TRP A CD2 1 
ATOM   488  N  NE1 . TRP A 1 62  ? -23.523 -6.677  -13.055 1.00 37.64 ? 62  TRP A NE1 1 
ATOM   489  C  CE2 . TRP A 1 62  ? -23.332 -6.422  -14.387 1.00 37.47 ? 62  TRP A CE2 1 
ATOM   490  C  CE3 . TRP A 1 62  ? -21.794 -5.174  -15.770 1.00 42.29 ? 62  TRP A CE3 1 
ATOM   491  C  CZ2 . TRP A 1 62  ? -24.054 -6.857  -15.499 1.00 46.13 ? 62  TRP A CZ2 1 
ATOM   492  C  CZ3 . TRP A 1 62  ? -22.515 -5.602  -16.870 1.00 47.12 ? 62  TRP A CZ3 1 
ATOM   493  C  CH2 . TRP A 1 62  ? -23.628 -6.438  -16.729 1.00 46.77 ? 62  TRP A CH2 1 
ATOM   494  N  N   . TRP A 1 63  ? -17.630 -4.174  -11.417 1.00 22.60 ? 63  TRP A N   1 
ATOM   495  C  CA  . TRP A 1 63  ? -16.998 -2.964  -10.916 1.00 23.22 ? 63  TRP A CA  1 
ATOM   496  C  C   . TRP A 1 63  ? -15.513 -3.065  -10.625 1.00 23.52 ? 63  TRP A C   1 
ATOM   497  O  O   . TRP A 1 63  ? -14.856 -2.025  -10.564 1.00 24.76 ? 63  TRP A O   1 
ATOM   498  C  CB  . TRP A 1 63  ? -17.713 -2.485  -9.640  1.00 23.01 ? 63  TRP A CB  1 
ATOM   499  C  CG  . TRP A 1 63  ? -19.180 -2.274  -9.876  1.00 22.72 ? 63  TRP A CG  1 
ATOM   500  C  CD1 . TRP A 1 63  ? -20.207 -3.055  -9.428  1.00 24.02 ? 63  TRP A CD1 1 
ATOM   501  C  CD2 . TRP A 1 63  ? -19.776 -1.230  -10.654 1.00 22.64 ? 63  TRP A CD2 1 
ATOM   502  N  NE1 . TRP A 1 63  ? -21.410 -2.555  -9.881  1.00 27.56 ? 63  TRP A NE1 1 
ATOM   503  C  CE2 . TRP A 1 63  ? -21.168 -1.439  -10.638 1.00 24.50 ? 63  TRP A CE2 1 
ATOM   504  C  CE3 . TRP A 1 63  ? -19.263 -0.138  -11.363 1.00 24.40 ? 63  TRP A CE3 1 
ATOM   505  C  CZ2 . TRP A 1 63  ? -22.058 -0.584  -11.297 1.00 26.79 ? 63  TRP A CZ2 1 
ATOM   506  C  CZ3 . TRP A 1 63  ? -20.145 0.704   -12.021 1.00 26.54 ? 63  TRP A CZ3 1 
ATOM   507  C  CH2 . TRP A 1 63  ? -21.529 0.474   -11.979 1.00 27.66 ? 63  TRP A CH2 1 
ATOM   508  N  N   . CYS A 1 64  ? -14.965 -4.261  -10.432 1.00 21.73 ? 64  CYS A N   1 
ATOM   509  C  CA  . CYS A 1 64  ? -13.550 -4.390  -10.110 1.00 19.94 ? 64  CYS A CA  1 
ATOM   510  C  C   . CYS A 1 64  ? -13.050 -5.714  -10.662 1.00 19.42 ? 64  CYS A C   1 
ATOM   511  O  O   . CYS A 1 64  ? -13.835 -6.621  -10.959 1.00 21.89 ? 64  CYS A O   1 
ATOM   512  C  CB  . CYS A 1 64  ? -13.293 -4.295  -8.589  1.00 22.13 ? 64  CYS A CB  1 
ATOM   513  S  SG  . CYS A 1 64  ? -14.077 -5.592  -7.562  1.00 20.74 ? 64  CYS A SG  1 
ATOM   514  N  N   . ASN A 1 65  ? -11.729 -5.823  -10.766 1.00 22.28 ? 65  ASN A N   1 
ATOM   515  C  CA  . ASN A 1 65  ? -11.078 -7.013  -11.302 1.00 23.61 ? 65  ASN A CA  1 
ATOM   516  C  C   . ASN A 1 65  ? -10.502 -7.863  -10.175 1.00 21.83 ? 65  ASN A C   1 
ATOM   517  O  O   . ASN A 1 65  ? -9.662  -7.381  -9.403  1.00 22.01 ? 65  ASN A O   1 
ATOM   518  C  CB  . ASN A 1 65  ? -9.959  -6.627  -12.266 1.00 24.49 ? 65  ASN A CB  1 
ATOM   519  C  CG  . ASN A 1 65  ? -9.235  -7.840  -12.803 1.00 30.28 ? 65  ASN A CG  1 
ATOM   520  O  OD1 . ASN A 1 65  ? -9.866  -8.781  -13.278 1.00 32.55 ? 65  ASN A OD1 1 
ATOM   521  N  ND2 . ASN A 1 65  ? -7.909  -7.838  -12.705 1.00 38.25 ? 65  ASN A ND2 1 
ATOM   522  N  N   . ASP A 1 66  ? -10.932 -9.128  -10.092 1.00 20.80 ? 66  ASP A N   1 
ATOM   523  C  CA  . ASP A 1 66  ? -10.338 -10.062 -9.136  1.00 21.37 ? 66  ASP A CA  1 
ATOM   524  C  C   . ASP A 1 66  ? -9.703  -11.273 -9.815  1.00 25.48 ? 66  ASP A C   1 
ATOM   525  O  O   . ASP A 1 66  ? -9.253  -12.191 -9.120  1.00 25.61 ? 66  ASP A O   1 
ATOM   526  C  CB  . ASP A 1 66  ? -11.356 -10.494 -8.064  1.00 23.85 ? 66  ASP A CB  1 
ATOM   527  C  CG  . ASP A 1 66  ? -12.504 -11.340 -8.597  1.00 22.93 ? 66  ASP A CG  1 
ATOM   528  O  OD1 . ASP A 1 66  ? -12.555 -11.687 -9.801  1.00 22.87 ? 66  ASP A OD1 1 
ATOM   529  O  OD2 . ASP A 1 66  ? -13.393 -11.653 -7.777  1.00 21.31 ? 66  ASP A OD2 1 
ATOM   530  N  N   . GLY A 1 67  ? -9.626  -11.281 -11.143 1.00 26.55 ? 67  GLY A N   1 
ATOM   531  C  CA  . GLY A 1 67  ? -8.945  -12.343 -11.862 1.00 26.93 ? 67  GLY A CA  1 
ATOM   532  C  C   . GLY A 1 67  ? -9.643  -13.679 -11.853 1.00 28.34 ? 67  GLY A C   1 
ATOM   533  O  O   . GLY A 1 67  ? -9.060  -14.672 -12.303 1.00 31.59 ? 67  GLY A O   1 
ATOM   534  N  N   . ARG A 1 68  ? -10.875 -13.750 -11.349 1.00 25.76 ? 68  ARG A N   1 
ATOM   535  C  CA  . ARG A 1 68  ? -11.560 -15.034 -11.291 1.00 26.40 ? 68  ARG A CA  1 
ATOM   536  C  C   . ARG A 1 68  ? -13.057 -14.908 -11.555 1.00 26.82 ? 68  ARG A C   1 
ATOM   537  O  O   . ARG A 1 68  ? -13.826 -15.787 -11.148 1.00 31.45 ? 68  ARG A O   1 
ATOM   538  C  CB  . ARG A 1 68  ? -11.305 -15.723 -9.942  1.00 25.02 ? 68  ARG A CB  1 
ATOM   539  C  CG  . ARG A 1 68  ? -11.951 -15.064 -8.739  1.00 28.53 ? 68  ARG A CG  1 
ATOM   540  C  CD  . ARG A 1 68  ? -12.071 -16.060 -7.597  1.00 32.87 ? 68  ARG A CD  1 
ATOM   541  N  NE  . ARG A 1 68  ? -13.016 -15.642 -6.564  1.00 32.18 ? 68  ARG A NE  1 
ATOM   542  C  CZ  . ARG A 1 68  ? -13.002 -16.110 -5.316  1.00 31.85 ? 68  ARG A CZ  1 
ATOM   543  N  NH1 . ARG A 1 68  ? -12.081 -17.001 -4.966  1.00 34.60 ? 68  ARG A NH1 1 
ATOM   544  N  NH2 . ARG A 1 68  ? -13.895 -15.689 -4.416  1.00 28.41 ? 68  ARG A NH2 1 
ATOM   545  N  N   . THR A 1 69  ? -13.493 -13.853 -12.245 1.00 27.00 ? 69  THR A N   1 
ATOM   546  C  CA  . THR A 1 69  ? -14.888 -13.683 -12.642 1.00 27.15 ? 69  THR A CA  1 
ATOM   547  C  C   . THR A 1 69  ? -14.918 -13.564 -14.166 1.00 27.98 ? 69  THR A C   1 
ATOM   548  O  O   . THR A 1 69  ? -14.959 -12.453 -14.708 1.00 31.06 ? 69  THR A O   1 
ATOM   549  C  CB  . THR A 1 69  ? -15.514 -12.457 -11.976 1.00 25.73 ? 69  THR A CB  1 
ATOM   550  O  OG1 . THR A 1 69  ? -15.150 -12.433 -10.589 1.00 25.24 ? 69  THR A OG1 1 
ATOM   551  C  CG2 . THR A 1 69  ? -17.022 -12.512 -12.077 1.00 25.12 ? 69  THR A CG2 1 
ATOM   552  N  N   . PRO A 1 70  ? -14.877 -14.689 -14.879 1.00 28.10 ? 70  PRO A N   1 
ATOM   553  C  CA  . PRO A 1 70  ? -14.761 -14.621 -16.346 1.00 32.08 ? 70  PRO A CA  1 
ATOM   554  C  C   . PRO A 1 70  ? -15.924 -13.882 -16.993 1.00 32.88 ? 70  PRO A C   1 
ATOM   555  O  O   . PRO A 1 70  ? -17.083 -14.030 -16.599 1.00 33.29 ? 70  PRO A O   1 
ATOM   556  C  CB  . PRO A 1 70  ? -14.732 -16.097 -16.765 1.00 31.51 ? 70  PRO A CB  1 
ATOM   557  C  CG  . PRO A 1 70  ? -14.314 -16.839 -15.541 1.00 33.74 ? 70  PRO A CG  1 
ATOM   558  C  CD  . PRO A 1 70  ? -14.886 -16.074 -14.387 1.00 33.08 ? 70  PRO A CD  1 
ATOM   559  N  N   . GLY A 1 71  ? -15.597 -13.086 -18.012 1.00 33.97 ? 71  GLY A N   1 
ATOM   560  C  CA  . GLY A 1 71  ? -16.593 -12.318 -18.729 1.00 35.42 ? 71  GLY A CA  1 
ATOM   561  C  C   . GLY A 1 71  ? -17.122 -11.115 -17.989 1.00 38.44 ? 71  GLY A C   1 
ATOM   562  O  O   . GLY A 1 71  ? -18.147 -10.554 -18.398 1.00 40.68 ? 71  GLY A O   1 
ATOM   563  N  N   . SER A 1 72  ? -16.459 -10.699 -16.916 1.00 34.05 ? 72  SER A N   1 
ATOM   564  C  CA  . SER A 1 72  ? -16.932 -9.581  -16.122 1.00 32.66 ? 72  SER A CA  1 
ATOM   565  C  C   . SER A 1 72  ? -16.295 -8.278  -16.590 1.00 34.71 ? 72  SER A C   1 
ATOM   566  O  O   . SER A 1 72  ? -15.354 -8.255  -17.387 1.00 34.18 ? 72  SER A O   1 
ATOM   567  C  CB  . SER A 1 72  ? -16.625 -9.799  -14.643 1.00 30.65 ? 72  SER A CB  1 
ATOM   568  O  OG  . SER A 1 72  ? -15.228 -9.740  -14.420 1.00 30.19 ? 72  SER A OG  1 
ATOM   569  N  N   . ARG A 1 73  ? -16.825 -7.180  -16.068 1.00 30.31 ? 73  ARG A N   1 
ATOM   570  C  CA  . ARG A 1 73  ? -16.316 -5.851  -16.361 1.00 29.07 ? 73  ARG A CA  1 
ATOM   571  C  C   . ARG A 1 73  ? -15.561 -5.319  -15.143 1.00 28.52 ? 73  ARG A C   1 
ATOM   572  O  O   . ARG A 1 73  ? -15.633 -5.879  -14.042 1.00 30.06 ? 73  ARG A O   1 
ATOM   573  C  CB  . ARG A 1 73  ? -17.457 -4.904  -16.774 1.00 31.31 ? 73  ARG A CB  1 
ATOM   574  C  CG  . ARG A 1 73  ? -18.155 -5.263  -18.100 1.00 40.41 ? 73  ARG A CG  1 
ATOM   575  C  CD  . ARG A 1 73  ? -19.063 -6.475  -17.994 1.00 47.84 ? 73  ARG A CD  1 
ATOM   576  N  NE  . ARG A 1 73  ? -20.263 -6.402  -18.814 1.00 54.54 ? 73  ARG A NE  1 
ATOM   577  C  CZ  . ARG A 1 73  ? -21.039 -7.452  -19.070 1.00 56.40 ? 73  ARG A CZ  1 
ATOM   578  N  NH1 . ARG A 1 73  ? -20.724 -8.629  -18.535 1.00 56.28 ? 73  ARG A NH1 1 
ATOM   579  N  NH2 . ARG A 1 73  ? -22.133 -7.334  -19.816 1.00 54.93 ? 73  ARG A NH2 1 
ATOM   580  N  N   . ASN A 1 74  ? -14.793 -4.247  -15.364 1.00 28.51 ? 74  ASN A N   1 
ATOM   581  C  CA  . ASN A 1 74  ? -14.015 -3.572  -14.320 1.00 25.60 ? 74  ASN A CA  1 
ATOM   582  C  C   . ASN A 1 74  ? -14.264 -2.064  -14.464 1.00 24.24 ? 74  ASN A C   1 
ATOM   583  O  O   . ASN A 1 74  ? -13.364 -1.287  -14.792 1.00 28.26 ? 74  ASN A O   1 
ATOM   584  C  CB  . ASN A 1 74  ? -12.522 -3.934  -14.432 1.00 25.89 ? 74  ASN A CB  1 
ATOM   585  C  CG  . ASN A 1 74  ? -11.650 -3.234  -13.395 1.00 27.41 ? 74  ASN A CG  1 
ATOM   586  O  OD1 . ASN A 1 74  ? -12.148 -2.650  -12.431 1.00 29.22 ? 74  ASN A OD1 1 
ATOM   587  N  ND2 . ASN A 1 74  ? -10.334 -3.292  -13.596 1.00 29.91 ? 74  ASN A ND2 1 
ATOM   588  N  N   . LEU A 1 75  ? -15.511 -1.655  -14.221 1.00 26.85 ? 75  LEU A N   1 
ATOM   589  C  CA  . LEU A 1 75  ? -15.918 -0.287  -14.515 1.00 27.33 ? 75  LEU A CA  1 
ATOM   590  C  C   . LEU A 1 75  ? -15.263 0.735   -13.600 1.00 29.93 ? 75  LEU A C   1 
ATOM   591  O  O   . LEU A 1 75  ? -15.130 1.901   -13.992 1.00 31.69 ? 75  LEU A O   1 
ATOM   592  C  CB  . LEU A 1 75  ? -17.440 -0.167  -14.440 1.00 27.61 ? 75  LEU A CB  1 
ATOM   593  C  CG  . LEU A 1 75  ? -18.138 -0.856  -15.612 1.00 32.60 ? 75  LEU A CG  1 
ATOM   594  C  CD1 . LEU A 1 75  ? -19.630 -0.844  -15.415 1.00 32.60 ? 75  LEU A CD1 1 
ATOM   595  C  CD2 . LEU A 1 75  ? -17.754 -0.168  -16.915 1.00 37.17 ? 75  LEU A CD2 1 
ATOM   596  N  N   . CYS A 1 76  ? -14.850 0.344   -12.395 1.00 24.27 ? 76  CYS A N   1 
ATOM   597  C  CA  . CYS A 1 76  ? -14.142 1.278   -11.529 1.00 25.88 ? 76  CYS A CA  1 
ATOM   598  C  C   . CYS A 1 76  ? -12.638 1.258   -11.758 1.00 27.23 ? 76  CYS A C   1 
ATOM   599  O  O   . CYS A 1 76  ? -11.922 2.060   -11.149 1.00 28.30 ? 76  CYS A O   1 
ATOM   600  C  CB  . CYS A 1 76  ? -14.455 0.991   -10.052 1.00 24.84 ? 76  CYS A CB  1 
ATOM   601  S  SG  . CYS A 1 76  ? -16.128 1.475   -9.626  1.00 24.52 ? 76  CYS A SG  1 
ATOM   602  N  N   . ASN A 1 77  ? -12.152 0.369   -12.629 1.00 28.52 ? 77  ASN A N   1 
ATOM   603  C  CA  . ASN A 1 77  ? -10.745 0.333   -13.048 1.00 30.11 ? 77  ASN A CA  1 
ATOM   604  C  C   . ASN A 1 77  ? -9.806  0.131   -11.859 1.00 31.15 ? 77  ASN A C   1 
ATOM   605  O  O   . ASN A 1 77  ? -8.826  0.861   -11.673 1.00 29.65 ? 77  ASN A O   1 
ATOM   606  C  CB  . ASN A 1 77  ? -10.374 1.600   -13.828 1.00 34.53 ? 77  ASN A CB  1 
ATOM   607  C  CG  . ASN A 1 77  ? -11.094 1.692   -15.157 1.00 40.02 ? 77  ASN A CG  1 
ATOM   608  O  OD1 . ASN A 1 77  ? -11.736 2.701   -15.468 1.00 45.74 ? 77  ASN A OD1 1 
ATOM   609  N  ND2 . ASN A 1 77  ? -11.011 0.625   -15.942 1.00 46.10 ? 77  ASN A ND2 1 
ATOM   610  N  N   . ILE A 1 78  ? -10.109 -0.877  -11.045 1.00 25.99 ? 78  ILE A N   1 
ATOM   611  C  CA  . ILE A 1 78  ? -9.331  -1.150  -9.837  1.00 27.98 ? 78  ILE A CA  1 
ATOM   612  C  C   . ILE A 1 78  ? -9.290  -2.650  -9.569  1.00 24.56 ? 78  ILE A C   1 
ATOM   613  O  O   . ILE A 1 78  ? -10.251 -3.361  -9.888  1.00 25.15 ? 78  ILE A O   1 
ATOM   614  C  CB  . ILE A 1 78  ? -9.913  -0.428  -8.609  1.00 28.16 ? 78  ILE A CB  1 
ATOM   615  C  CG1 . ILE A 1 78  ? -11.430 -0.607  -8.556  1.00 28.62 ? 78  ILE A CG1 1 
ATOM   616  C  CG2 . ILE A 1 78  ? -9.490  1.041   -8.560  1.00 32.95 ? 78  ILE A CG2 1 
ATOM   617  C  CD1 . ILE A 1 78  ? -11.998 -0.654  -7.157  1.00 30.73 ? 78  ILE A CD1 1 
ATOM   618  N  N   . PRO A 1 79  ? -8.222  -3.166  -8.969  1.00 24.96 ? 79  PRO A N   1 
ATOM   619  C  CA  . PRO A 1 79  ? -8.280  -4.525  -8.424  1.00 22.49 ? 79  PRO A CA  1 
ATOM   620  C  C   . PRO A 1 79  ? -9.229  -4.552  -7.237  1.00 21.38 ? 79  PRO A C   1 
ATOM   621  O  O   . PRO A 1 79  ? -9.273  -3.617  -6.434  1.00 24.71 ? 79  PRO A O   1 
ATOM   622  C  CB  . PRO A 1 79  ? -6.831  -4.804  -8.003  1.00 26.57 ? 79  PRO A CB  1 
ATOM   623  C  CG  . PRO A 1 79  ? -6.241  -3.448  -7.772  1.00 31.56 ? 79  PRO A CG  1 
ATOM   624  C  CD  . PRO A 1 79  ? -6.921  -2.516  -8.736  1.00 29.26 ? 79  PRO A CD  1 
ATOM   625  N  N   . CYS A 1 80  ? -10.001 -5.633  -7.135  1.00 21.57 ? 80  CYS A N   1 
ATOM   626  C  CA  . CYS A 1 80  ? -10.964 -5.723  -6.040  1.00 18.08 ? 80  CYS A CA  1 
ATOM   627  C  C   . CYS A 1 80  ? -10.290 -5.645  -4.672  1.00 23.02 ? 80  CYS A C   1 
ATOM   628  O  O   . CYS A 1 80  ? -10.904 -5.176  -3.710  1.00 23.09 ? 80  CYS A O   1 
ATOM   629  C  CB  . CYS A 1 80  ? -11.760 -7.021  -6.160  1.00 19.55 ? 80  CYS A CB  1 
ATOM   630  S  SG  . CYS A 1 80  ? -12.773 -7.166  -7.673  1.00 20.33 ? 80  CYS A SG  1 
ATOM   631  N  N   . SER A 1 81  ? -9.029  -6.080  -4.561  1.00 22.97 ? 81  SER A N   1 
ATOM   632  C  CA  . SER A 1 81  ? -8.349  -6.024  -3.267  1.00 23.30 ? 81  SER A CA  1 
ATOM   633  C  C   . SER A 1 81  ? -8.192  -4.595  -2.762  1.00 23.77 ? 81  SER A C   1 
ATOM   634  O  O   . SER A 1 81  ? -8.101  -4.371  -1.547  1.00 25.73 ? 81  SER A O   1 
ATOM   635  C  CB  . SER A 1 81  ? -6.979  -6.696  -3.359  1.00 24.35 ? 81  SER A CB  1 
ATOM   636  O  OG  . SER A 1 81  ? -6.190  -6.060  -4.344  1.00 28.70 ? 81  SER A OG  1 
ATOM   637  N  N   . ALA A 1 82  ? -8.159  -3.613  -3.664  1.00 24.02 ? 82  ALA A N   1 
ATOM   638  C  CA  . ALA A 1 82  ? -8.080  -2.222  -3.229  1.00 29.20 ? 82  ALA A CA  1 
ATOM   639  C  C   . ALA A 1 82  ? -9.297  -1.802  -2.418  1.00 27.30 ? 82  ALA A C   1 
ATOM   640  O  O   . ALA A 1 82  ? -9.220  -0.834  -1.653  1.00 29.04 ? 82  ALA A O   1 
ATOM   641  C  CB  . ALA A 1 82  ? -7.916  -1.302  -4.438  1.00 29.82 ? 82  ALA A CB  1 
ATOM   642  N  N   . LEU A 1 83  ? -10.420 -2.497  -2.572  1.00 22.81 ? 83  LEU A N   1 
ATOM   643  C  CA  . LEU A 1 83  ? -11.634 -2.210  -1.820  1.00 24.07 ? 83  LEU A CA  1 
ATOM   644  C  C   . LEU A 1 83  ? -11.616 -2.759  -0.400  1.00 26.56 ? 83  LEU A C   1 
ATOM   645  O  O   . LEU A 1 83  ? -12.592 -2.557  0.333   1.00 26.43 ? 83  LEU A O   1 
ATOM   646  C  CB  . LEU A 1 83  ? -12.839 -2.790  -2.558  1.00 23.69 ? 83  LEU A CB  1 
ATOM   647  C  CG  . LEU A 1 83  ? -13.028 -2.287  -3.982  1.00 23.79 ? 83  LEU A CG  1 
ATOM   648  C  CD1 . LEU A 1 83  ? -14.114 -3.082  -4.684  1.00 26.53 ? 83  LEU A CD1 1 
ATOM   649  C  CD2 . LEU A 1 83  ? -13.389 -0.814  -3.928  1.00 28.29 ? 83  LEU A CD2 1 
ATOM   650  N  N   . LEU A 1 84  ? -10.563 -3.470  0.008   1.00 24.82 ? 84  LEU A N   1 
ATOM   651  C  CA  . LEU A 1 84  ? -10.491 -4.033  1.350   1.00 24.28 ? 84  LEU A CA  1 
ATOM   652  C  C   . LEU A 1 84  ? -9.591  -3.226  2.275   1.00 26.31 ? 84  LEU A C   1 
ATOM   653  O  O   . LEU A 1 84  ? -9.451  -3.578  3.456   1.00 29.10 ? 84  LEU A O   1 
ATOM   654  C  CB  . LEU A 1 84  ? -10.006 -5.489  1.290   1.00 22.63 ? 84  LEU A CB  1 
ATOM   655  C  CG  . LEU A 1 84  ? -10.815 -6.420  0.377   1.00 23.75 ? 84  LEU A CG  1 
ATOM   656  C  CD1 . LEU A 1 84  ? -10.188 -7.785  0.328   1.00 29.66 ? 84  LEU A CD1 1 
ATOM   657  C  CD2 . LEU A 1 84  ? -12.247 -6.565  0.819   1.00 23.54 ? 84  LEU A CD2 1 
ATOM   658  N  N   . SER A 1 85  ? -9.004  -2.148  1.770   1.00 25.71 ? 85  SER A N   1 
ATOM   659  C  CA  . SER A 1 85  ? -8.063  -1.326  2.520   1.00 29.46 ? 85  SER A CA  1 
ATOM   660  C  C   . SER A 1 85  ? -8.742  -0.609  3.686   1.00 30.47 ? 85  SER A C   1 
ATOM   661  O  O   . SER A 1 85  ? -9.942  -0.318  3.656   1.00 30.56 ? 85  SER A O   1 
ATOM   662  C  CB  . SER A 1 85  ? -7.427  -0.303  1.579   1.00 29.30 ? 85  SER A CB  1 
ATOM   663  O  OG  . SER A 1 85  ? -6.684  0.666   2.295   1.00 32.38 ? 85  SER A OG  1 
ATOM   664  N  N   . SER A 1 86  ? -7.954  -0.314  4.727   1.00 30.14 ? 86  SER A N   1 
ATOM   665  C  CA  . SER A 1 86  ? -8.458  0.500   5.830   1.00 29.26 ? 86  SER A CA  1 
ATOM   666  C  C   . SER A 1 86  ? -8.754  1.934   5.400   1.00 30.05 ? 86  SER A C   1 
ATOM   667  O  O   . SER A 1 86  ? -9.521  2.628   6.075   1.00 34.17 ? 86  SER A O   1 
ATOM   668  C  CB  . SER A 1 86  ? -7.454  0.499   6.984   1.00 34.70 ? 86  SER A CB  1 
ATOM   669  O  OG  . SER A 1 86  ? -6.192  0.967   6.544   1.00 37.35 ? 86  SER A OG  1 
ATOM   670  N  N   . ASP A 1 87  ? -8.147  2.390   4.308   1.00 29.67 ? 87  ASP A N   1 
ATOM   671  C  CA  . ASP A 1 87  ? -8.453  3.671   3.683   1.00 26.94 ? 87  ASP A CA  1 
ATOM   672  C  C   . ASP A 1 87  ? -9.634  3.453   2.743   1.00 29.09 ? 87  ASP A C   1 
ATOM   673  O  O   . ASP A 1 87  ? -9.537  2.656   1.806   1.00 29.50 ? 87  ASP A O   1 
ATOM   674  C  CB  . ASP A 1 87  ? -7.216  4.165   2.929   1.00 31.18 ? 87  ASP A CB  1 
ATOM   675  C  CG  . ASP A 1 87  ? -7.412  5.521   2.249   1.00 36.35 ? 87  ASP A CG  1 
ATOM   676  O  OD1 . ASP A 1 87  ? -8.557  5.990   2.088   1.00 34.58 ? 87  ASP A OD1 1 
ATOM   677  O  OD2 . ASP A 1 87  ? -6.386  6.137   1.885   1.00 41.23 ? 87  ASP A OD2 1 
ATOM   678  N  N   . ILE A 1 88  ? -10.746 4.147   2.993   1.00 28.39 ? 88  ILE A N   1 
ATOM   679  C  CA  . ILE A 1 88  ? -11.975 3.859   2.255   1.00 27.45 ? 88  ILE A CA  1 
ATOM   680  C  C   . ILE A 1 88  ? -12.058 4.615   0.935   1.00 26.66 ? 88  ILE A C   1 
ATOM   681  O  O   . ILE A 1 88  ? -13.082 4.544   0.245   1.00 24.80 ? 88  ILE A O   1 
ATOM   682  C  CB  . ILE A 1 88  ? -13.225 4.151   3.106   1.00 24.17 ? 88  ILE A CB  1 
ATOM   683  C  CG1 . ILE A 1 88  ? -13.327 5.647   3.436   1.00 30.14 ? 88  ILE A CG1 1 
ATOM   684  C  CG2 . ILE A 1 88  ? -13.232 3.273   4.358   1.00 28.51 ? 88  ILE A CG2 1 
ATOM   685  C  CD1 . ILE A 1 88  ? -14.686 6.057   3.994   1.00 31.73 ? 88  ILE A CD1 1 
ATOM   686  N  N   . THR A 1 89  ? -10.988 5.316   0.550   1.00 27.49 ? 89  THR A N   1 
ATOM   687  C  CA  . THR A 1 89  ? -11.054 6.168   -0.637  1.00 25.16 ? 89  THR A CA  1 
ATOM   688  C  C   . THR A 1 89  ? -11.514 5.401   -1.877  1.00 27.53 ? 89  THR A C   1 
ATOM   689  O  O   . THR A 1 89  ? -12.431 5.836   -2.581  1.00 27.75 ? 89  THR A O   1 
ATOM   690  C  CB  . THR A 1 89  ? -9.698  6.826   -0.900  1.00 30.25 ? 89  THR A CB  1 
ATOM   691  O  OG1 . THR A 1 89  ? -9.326  7.621   0.230   1.00 33.96 ? 89  THR A OG1 1 
ATOM   692  C  CG2 . THR A 1 89  ? -9.787  7.731   -2.111  1.00 31.65 ? 89  THR A CG2 1 
ATOM   693  N  N   . ALA A 1 90  ? -10.897 4.248   -2.154  1.00 27.10 ? 90  ALA A N   1 
ATOM   694  C  CA  . ALA A 1 90  ? -11.239 3.509   -3.367  1.00 25.64 ? 90  ALA A CA  1 
ATOM   695  C  C   . ALA A 1 90  ? -12.686 3.038   -3.335  1.00 24.22 ? 90  ALA A C   1 
ATOM   696  O  O   . ALA A 1 90  ? -13.385 3.075   -4.359  1.00 24.84 ? 90  ALA A O   1 
ATOM   697  C  CB  . ALA A 1 90  ? -10.293 2.320   -3.549  1.00 28.24 ? 90  ALA A CB  1 
ATOM   698  N  N   . SER A 1 91  ? -13.163 2.599   -2.168  1.00 23.63 ? 91  SER A N   1 
ATOM   699  C  CA  . SER A 1 91  ? -14.552 2.167   -2.071  1.00 22.99 ? 91  SER A CA  1 
ATOM   700  C  C   . SER A 1 91  ? -15.512 3.321   -2.321  1.00 24.45 ? 91  SER A C   1 
ATOM   701  O  O   . SER A 1 91  ? -16.519 3.156   -3.020  1.00 24.32 ? 91  SER A O   1 
ATOM   702  C  CB  . SER A 1 91  ? -14.813 1.537   -0.704  1.00 25.33 ? 91  SER A CB  1 
ATOM   703  O  OG  . SER A 1 91  ? -14.294 0.215   -0.662  1.00 24.37 ? 91  SER A OG  1 
ATOM   704  N  N   . VAL A 1 92  ? -15.209 4.495   -1.760  1.00 23.66 ? 92  VAL A N   1 
ATOM   705  C  CA  . VAL A 1 92  ? -16.076 5.659   -1.924  1.00 23.35 ? 92  VAL A CA  1 
ATOM   706  C  C   . VAL A 1 92  ? -16.097 6.107   -3.378  1.00 25.63 ? 92  VAL A C   1 
ATOM   707  O  O   . VAL A 1 92  ? -17.161 6.391   -3.941  1.00 24.28 ? 92  VAL A O   1 
ATOM   708  C  CB  . VAL A 1 92  ? -15.616 6.798   -0.994  1.00 24.52 ? 92  VAL A CB  1 
ATOM   709  C  CG1 . VAL A 1 92  ? -16.249 8.119   -1.425  1.00 30.59 ? 92  VAL A CG1 1 
ATOM   710  C  CG2 . VAL A 1 92  ? -15.954 6.466   0.448   1.00 28.86 ? 92  VAL A CG2 1 
ATOM   711  N  N   . ASN A 1 93  ? -14.920 6.184   -4.005  1.00 24.07 ? 93  ASN A N   1 
ATOM   712  C  CA  . ASN A 1 93  ? -14.858 6.628   -5.392  1.00 25.81 ? 93  ASN A CA  1 
ATOM   713  C  C   . ASN A 1 93  ? -15.619 5.680   -6.304  1.00 25.62 ? 93  ASN A C   1 
ATOM   714  O  O   . ASN A 1 93  ? -16.295 6.117   -7.242  1.00 25.76 ? 93  ASN A O   1 
ATOM   715  C  CB  . ASN A 1 93  ? -13.403 6.755   -5.843  1.00 29.01 ? 93  ASN A CB  1 
ATOM   716  C  CG  . ASN A 1 93  ? -12.696 7.938   -5.207  1.00 36.01 ? 93  ASN A CG  1 
ATOM   717  O  OD1 . ASN A 1 93  ? -13.336 8.833   -4.651  1.00 37.51 ? 93  ASN A OD1 1 
ATOM   718  N  ND2 . ASN A 1 93  ? -11.368 7.949   -5.290  1.00 38.65 ? 93  ASN A ND2 1 
ATOM   719  N  N   . CYS A 1 94  ? -15.539 4.375   -6.041  1.00 21.93 ? 94  CYS A N   1 
ATOM   720  C  CA  . CYS A 1 94  ? -16.277 3.436   -6.870  1.00 24.21 ? 94  CYS A CA  1 
ATOM   721  C  C   . CYS A 1 94  ? -17.774 3.517   -6.587  1.00 24.69 ? 94  CYS A C   1 
ATOM   722  O  O   . CYS A 1 94  ? -18.584 3.480   -7.518  1.00 23.18 ? 94  CYS A O   1 
ATOM   723  C  CB  . CYS A 1 94  ? -15.736 2.025   -6.651  1.00 23.08 ? 94  CYS A CB  1 
ATOM   724  S  SG  . CYS A 1 94  ? -16.396 0.777   -7.756  1.00 25.62 ? 94  CYS A SG  1 
ATOM   725  N  N   . ALA A 1 95  ? -18.157 3.660   -5.311  1.00 23.60 ? 95  ALA A N   1 
ATOM   726  C  CA  . ALA A 1 95  ? -19.572 3.812   -4.967  1.00 21.43 ? 95  ALA A CA  1 
ATOM   727  C  C   . ALA A 1 95  ? -20.196 5.021   -5.653  1.00 23.97 ? 95  ALA A C   1 
ATOM   728  O  O   . ALA A 1 95  ? -21.379 4.987   -6.013  1.00 23.31 ? 95  ALA A O   1 
ATOM   729  C  CB  . ALA A 1 95  ? -19.740 3.918   -3.453  1.00 20.93 ? 95  ALA A CB  1 
ATOM   730  N  N   . LYS A 1 96  ? -19.426 6.093   -5.853  1.00 23.07 ? 96  LYS A N   1 
ATOM   731  C  CA  . LYS A 1 96  ? -19.975 7.264   -6.530  1.00 22.34 ? 96  LYS A CA  1 
ATOM   732  C  C   . LYS A 1 96  ? -20.350 6.943   -7.970  1.00 24.65 ? 96  LYS A C   1 
ATOM   733  O  O   . LYS A 1 96  ? -21.355 7.447   -8.482  1.00 26.94 ? 96  LYS A O   1 
ATOM   734  C  CB  . LYS A 1 96  ? -18.974 8.419   -6.471  1.00 24.14 ? 96  LYS A CB  1 
ATOM   735  C  CG  . LYS A 1 96  ? -18.793 9.022   -5.084  1.00 24.53 ? 96  LYS A CG  1 
ATOM   736  C  CD  . LYS A 1 96  ? -17.788 10.169  -5.120  1.00 27.94 ? 96  LYS A CD  1 
ATOM   737  C  CE  . LYS A 1 96  ? -17.769 10.925  -3.793  1.00 30.38 ? 96  LYS A CE  1 
ATOM   738  N  NZ  . LYS A 1 96  ? -16.595 11.842  -3.695  1.00 34.62 ? 96  LYS A NZ  1 
ATOM   739  N  N   . LYS A 1 97  ? -19.561 6.098   -8.641  1.00 23.34 ? 97  LYS A N   1 
ATOM   740  C  CA  . LYS A 1 97  ? -19.916 5.691   -10.000 1.00 23.37 ? 97  LYS A CA  1 
ATOM   741  C  C   . LYS A 1 97  ? -21.143 4.787   -10.014 1.00 26.80 ? 97  LYS A C   1 
ATOM   742  O  O   . LYS A 1 97  ? -22.001 4.909   -10.901 1.00 27.75 ? 97  LYS A O   1 
ATOM   743  C  CB  . LYS A 1 97  ? -18.731 4.998   -10.672 1.00 25.42 ? 97  LYS A CB  1 
ATOM   744  C  CG  . LYS A 1 97  ? -17.438 5.794   -10.583 1.00 32.54 ? 97  LYS A CG  1 
ATOM   745  C  CD  . LYS A 1 97  ? -16.407 5.277   -11.571 1.00 38.47 ? 97  LYS A CD  1 
ATOM   746  C  CE  . LYS A 1 97  ? -15.119 6.084   -11.488 1.00 41.81 ? 97  LYS A CE  1 
ATOM   747  N  NZ  . LYS A 1 97  ? -13.941 5.215   -11.214 1.00 43.07 ? 97  LYS A NZ  1 
ATOM   748  N  N   . ILE A 1 98  ? -21.239 3.867   -9.048  1.00 22.38 ? 98  ILE A N   1 
ATOM   749  C  CA  . ILE A 1 98  ? -22.378 2.952   -8.991  1.00 22.26 ? 98  ILE A CA  1 
ATOM   750  C  C   . ILE A 1 98  ? -23.675 3.724   -8.803  1.00 27.02 ? 98  ILE A C   1 
ATOM   751  O  O   . ILE A 1 98  ? -24.660 3.497   -9.515  1.00 26.98 ? 98  ILE A O   1 
ATOM   752  C  CB  . ILE A 1 98  ? -22.169 1.916   -7.871  1.00 22.85 ? 98  ILE A CB  1 
ATOM   753  C  CG1 . ILE A 1 98  ? -20.913 1.081   -8.159  1.00 23.14 ? 98  ILE A CG1 1 
ATOM   754  C  CG2 . ILE A 1 98  ? -23.395 1.008   -7.718  1.00 23.09 ? 98  ILE A CG2 1 
ATOM   755  C  CD1 . ILE A 1 98  ? -20.517 0.158   -7.020  1.00 24.68 ? 98  ILE A CD1 1 
ATOM   756  N  N   . VAL A 1 99  ? -23.696 4.648   -7.839  1.00 23.87 ? 99  VAL A N   1 
ATOM   757  C  CA  . VAL A 1 99  ? -24.937 5.339   -7.502  1.00 23.80 ? 99  VAL A CA  1 
ATOM   758  C  C   . VAL A 1 99  ? -25.334 6.322   -8.590  1.00 29.08 ? 99  VAL A C   1 
ATOM   759  O  O   . VAL A 1 99  ? -26.491 6.753   -8.635  1.00 28.33 ? 99  VAL A O   1 
ATOM   760  C  CB  . VAL A 1 99  ? -24.807 6.015   -6.119  1.00 22.82 ? 99  VAL A CB  1 
ATOM   761  C  CG1 . VAL A 1 99  ? -24.001 7.311   -6.183  1.00 22.78 ? 99  VAL A CG1 1 
ATOM   762  C  CG2 . VAL A 1 99  ? -26.180 6.258   -5.491  1.00 26.88 ? 99  VAL A CG2 1 
ATOM   763  N  N   . SER A 1 100 ? -24.414 6.656   -9.494  1.00 25.64 ? 100 SER A N   1 
ATOM   764  C  CA  . SER A 1 100 ? -24.690 7.557   -10.604 1.00 29.89 ? 100 SER A CA  1 
ATOM   765  C  C   . SER A 1 100 ? -25.209 6.844   -11.848 1.00 31.70 ? 100 SER A C   1 
ATOM   766  O  O   . SER A 1 100 ? -25.559 7.514   -12.823 1.00 34.89 ? 100 SER A O   1 
ATOM   767  C  CB  . SER A 1 100 ? -23.425 8.345   -10.963 1.00 28.45 ? 100 SER A CB  1 
ATOM   768  O  OG  . SER A 1 100 ? -22.960 9.105   -9.866  1.00 32.58 ? 100 SER A OG  1 
ATOM   769  N  N   . ASP A 1 101 ? -25.288 5.516   -11.845 1.00 30.77 ? 101 ASP A N   1 
ATOM   770  C  CA  . ASP A 1 101 ? -25.519 4.773   -13.077 1.00 31.79 ? 101 ASP A CA  1 
ATOM   771  C  C   . ASP A 1 101 ? -26.996 4.626   -13.440 1.00 34.83 ? 101 ASP A C   1 
ATOM   772  O  O   . ASP A 1 101 ? -27.310 3.921   -14.405 1.00 38.13 ? 101 ASP A O   1 
ATOM   773  C  CB  . ASP A 1 101 ? -24.836 3.399   -13.003 1.00 31.22 ? 101 ASP A CB  1 
ATOM   774  C  CG  . ASP A 1 101 ? -25.614 2.374   -12.187 1.00 37.19 ? 101 ASP A CG  1 
ATOM   775  O  OD1 . ASP A 1 101 ? -26.657 2.698   -11.574 1.00 36.86 ? 101 ASP A OD1 1 
ATOM   776  O  OD2 . ASP A 1 101 ? -25.161 1.212   -12.150 1.00 40.95 ? 101 ASP A OD2 1 
ATOM   777  N  N   . GLY A 1 102 ? -27.906 5.257   -12.692 1.00 33.71 ? 102 GLY A N   1 
ATOM   778  C  CA  . GLY A 1 102 ? -29.321 5.296   -13.032 1.00 31.89 ? 102 GLY A CA  1 
ATOM   779  C  C   . GLY A 1 102 ? -30.238 4.700   -11.980 1.00 34.29 ? 102 GLY A C   1 
ATOM   780  O  O   . GLY A 1 102 ? -31.399 5.113   -11.876 1.00 33.68 ? 102 GLY A O   1 
ATOM   781  N  N   . ASN A 1 103 ? -29.749 3.731   -11.204 1.00 31.85 ? 103 ASN A N   1 
ATOM   782  C  CA  . ASN A 1 103 ? -30.589 3.023   -10.244 1.00 28.82 ? 103 ASN A CA  1 
ATOM   783  C  C   . ASN A 1 103 ? -30.352 3.452   -8.798  1.00 25.05 ? 103 ASN A C   1 
ATOM   784  O  O   . ASN A 1 103 ? -30.952 2.872   -7.885  1.00 23.55 ? 103 ASN A O   1 
ATOM   785  C  CB  . ASN A 1 103 ? -30.400 1.519   -10.405 1.00 34.46 ? 103 ASN A CB  1 
ATOM   786  C  CG  . ASN A 1 103 ? -30.768 1.047   -11.798 1.00 41.92 ? 103 ASN A CG  1 
ATOM   787  O  OD1 . ASN A 1 103 ? -31.944 0.856   -12.101 1.00 44.83 ? 103 ASN A OD1 1 
ATOM   788  N  ND2 . ASN A 1 103 ? -29.767 0.866   -12.655 1.00 42.66 ? 103 ASN A ND2 1 
ATOM   789  N  N   . GLY A 1 104 ? -29.539 4.477   -8.578  1.00 23.13 ? 104 GLY A N   1 
ATOM   790  C  CA  . GLY A 1 104 ? -29.354 5.042   -7.261  1.00 23.41 ? 104 GLY A CA  1 
ATOM   791  C  C   . GLY A 1 104 ? -28.833 3.990   -6.304  1.00 22.70 ? 104 GLY A C   1 
ATOM   792  O  O   . GLY A 1 104 ? -28.079 3.085   -6.682  1.00 23.49 ? 104 GLY A O   1 
ATOM   793  N  N   . MET A 1 105 ? -29.282 4.075   -5.055  1.00 19.93 ? 105 MET A N   1 
ATOM   794  C  CA  . MET A 1 105 ? -28.782 3.148   -4.046  1.00 19.24 ? 105 MET A CA  1 
ATOM   795  C  C   . MET A 1 105 ? -29.500 1.815   -4.076  1.00 20.53 ? 105 MET A C   1 
ATOM   796  O  O   . MET A 1 105 ? -29.164 0.934   -3.275  1.00 19.98 ? 105 MET A O   1 
ATOM   797  C  CB  . MET A 1 105 ? -28.881 3.766   -2.647  1.00 18.08 ? 105 MET A CB  1 
ATOM   798  C  CG  . MET A 1 105 ? -27.820 4.848   -2.408  1.00 20.94 ? 105 MET A CG  1 
ATOM   799  S  SD  . MET A 1 105 ? -27.543 5.295   -0.677  1.00 23.01 ? 105 MET A SD  1 
ATOM   800  C  CE  . MET A 1 105 ? -26.714 3.829   -0.059  1.00 22.15 ? 105 MET A CE  1 
ATOM   801  N  N   . ASN A 1 106 ? -30.457 1.629   -4.987  1.00 21.73 ? 106 ASN A N   1 
ATOM   802  C  CA  . ASN A 1 106 ? -31.072 0.314   -5.116  1.00 22.11 ? 106 ASN A CA  1 
ATOM   803  C  C   . ASN A 1 106 ? -30.080 -0.747  -5.570  1.00 23.53 ? 106 ASN A C   1 
ATOM   804  O  O   . ASN A 1 106 ? -30.378 -1.939  -5.442  1.00 24.14 ? 106 ASN A O   1 
ATOM   805  C  CB  . ASN A 1 106 ? -32.260 0.393   -6.077  1.00 22.71 ? 106 ASN A CB  1 
ATOM   806  C  CG  . ASN A 1 106 ? -33.368 1.259   -5.545  1.00 23.51 ? 106 ASN A CG  1 
ATOM   807  O  OD1 . ASN A 1 106 ? -34.001 0.933   -4.542  1.00 24.62 ? 106 ASN A OD1 1 
ATOM   808  N  ND2 . ASN A 1 106 ? -33.594 2.389   -6.195  1.00 25.60 ? 106 ASN A ND2 1 
ATOM   809  N  N   . ALA A 1 107 ? -28.906 -0.347  -6.074  1.00 22.09 ? 107 ALA A N   1 
ATOM   810  C  CA  . ALA A 1 107 ? -27.842 -1.307  -6.361  1.00 23.90 ? 107 ALA A CA  1 
ATOM   811  C  C   . ALA A 1 107 ? -27.418 -2.121  -5.142  1.00 26.17 ? 107 ALA A C   1 
ATOM   812  O  O   . ALA A 1 107 ? -26.850 -3.210  -5.307  1.00 26.18 ? 107 ALA A O   1 
ATOM   813  C  CB  . ALA A 1 107 ? -26.627 -0.573  -6.921  1.00 28.50 ? 107 ALA A CB  1 
ATOM   814  N  N   . TRP A 1 108 ? -27.651 -1.621  -3.928  1.00 22.17 ? 108 TRP A N   1 
ATOM   815  C  CA  . TRP A 1 108 ? -27.247 -2.291  -2.698  1.00 21.26 ? 108 TRP A CA  1 
ATOM   816  C  C   . TRP A 1 108 ? -28.478 -2.955  -2.098  1.00 23.41 ? 108 TRP A C   1 
ATOM   817  O  O   . TRP A 1 108 ? -29.370 -2.274  -1.591  1.00 22.80 ? 108 TRP A O   1 
ATOM   818  C  CB  . TRP A 1 108 ? -26.618 -1.301  -1.719  1.00 20.73 ? 108 TRP A CB  1 
ATOM   819  C  CG  . TRP A 1 108 ? -25.220 -0.924  -2.103  1.00 20.01 ? 108 TRP A CG  1 
ATOM   820  C  CD1 . TRP A 1 108 ? -24.082 -1.656  -1.871  1.00 25.17 ? 108 TRP A CD1 1 
ATOM   821  C  CD2 . TRP A 1 108 ? -24.797 0.257   -2.802  1.00 18.52 ? 108 TRP A CD2 1 
ATOM   822  N  NE1 . TRP A 1 108 ? -22.989 -0.994  -2.367  1.00 24.53 ? 108 TRP A NE1 1 
ATOM   823  C  CE2 . TRP A 1 108 ? -23.396 0.182   -2.940  1.00 21.68 ? 108 TRP A CE2 1 
ATOM   824  C  CE3 . TRP A 1 108 ? -25.466 1.379   -3.309  1.00 20.95 ? 108 TRP A CE3 1 
ATOM   825  C  CZ2 . TRP A 1 108 ? -22.651 1.170   -3.580  1.00 23.32 ? 108 TRP A CZ2 1 
ATOM   826  C  CZ3 . TRP A 1 108 ? -24.725 2.367   -3.940  1.00 23.21 ? 108 TRP A CZ3 1 
ATOM   827  C  CH2 . TRP A 1 108 ? -23.326 2.258   -4.065  1.00 22.77 ? 108 TRP A CH2 1 
ATOM   828  N  N   . VAL A 1 109 ? -28.518 -4.291  -2.148  1.00 23.96 ? 109 VAL A N   1 
ATOM   829  C  CA  . VAL A 1 109 ? -29.714 -5.019  -1.726  1.00 25.86 ? 109 VAL A CA  1 
ATOM   830  C  C   . VAL A 1 109 ? -30.042 -4.742  -0.263  1.00 21.86 ? 109 VAL A C   1 
ATOM   831  O  O   . VAL A 1 109 ? -31.215 -4.573  0.102   1.00 22.72 ? 109 VAL A O   1 
ATOM   832  C  CB  . VAL A 1 109 ? -29.536 -6.524  -1.992  1.00 28.25 ? 109 VAL A CB  1 
ATOM   833  C  CG1 . VAL A 1 109 ? -29.456 -6.787  -3.486  1.00 36.42 ? 109 VAL A CG1 1 
ATOM   834  C  CG2 . VAL A 1 109 ? -28.303 -7.047  -1.289  1.00 33.34 ? 109 VAL A CG2 1 
ATOM   835  N  N   . ALA A 1 110 ? -29.023 -4.667  0.596   1.00 21.77 ? 110 ALA A N   1 
ATOM   836  C  CA  . ALA A 1 110 ? -29.288 -4.413  2.008   1.00 20.72 ? 110 ALA A CA  1 
ATOM   837  C  C   . ALA A 1 110 ? -29.854 -3.019  2.227   1.00 23.29 ? 110 ALA A C   1 
ATOM   838  O  O   . ALA A 1 110 ? -30.696 -2.829  3.113   1.00 24.08 ? 110 ALA A O   1 
ATOM   839  C  CB  . ALA A 1 110 ? -28.022 -4.618  2.842   1.00 26.32 ? 110 ALA A CB  1 
ATOM   840  N  N   . TRP A 1 111 ? -29.426 -2.033  1.430   1.00 22.00 ? 111 TRP A N   1 
ATOM   841  C  CA  . TRP A 1 111 ? -30.024 -0.707  1.537   1.00 19.48 ? 111 TRP A CA  1 
ATOM   842  C  C   . TRP A 1 111 ? -31.504 -0.743  1.165   1.00 20.80 ? 111 TRP A C   1 
ATOM   843  O  O   . TRP A 1 111 ? -32.350 -0.204  1.887   1.00 21.70 ? 111 TRP A O   1 
ATOM   844  C  CB  . TRP A 1 111 ? -29.283 0.305   0.661   1.00 20.21 ? 111 TRP A CB  1 
ATOM   845  C  CG  . TRP A 1 111 ? -29.907 1.671   0.770   1.00 20.36 ? 111 TRP A CG  1 
ATOM   846  C  CD1 . TRP A 1 111 ? -29.683 2.607   1.748   1.00 20.77 ? 111 TRP A CD1 1 
ATOM   847  C  CD2 . TRP A 1 111 ? -30.892 2.236   -0.106  1.00 21.01 ? 111 TRP A CD2 1 
ATOM   848  N  NE1 . TRP A 1 111 ? -30.465 3.719   1.521   1.00 22.28 ? 111 TRP A NE1 1 
ATOM   849  C  CE2 . TRP A 1 111 ? -31.210 3.518   0.390   1.00 21.76 ? 111 TRP A CE2 1 
ATOM   850  C  CE3 . TRP A 1 111 ? -31.531 1.784   -1.267  1.00 19.82 ? 111 TRP A CE3 1 
ATOM   851  C  CZ2 . TRP A 1 111 ? -32.137 4.353   -0.240  1.00 22.82 ? 111 TRP A CZ2 1 
ATOM   852  C  CZ3 . TRP A 1 111 ? -32.443 2.611   -1.891  1.00 23.13 ? 111 TRP A CZ3 1 
ATOM   853  C  CH2 . TRP A 1 111 ? -32.739 3.882   -1.381  1.00 21.97 ? 111 TRP A CH2 1 
ATOM   854  N  N   . ARG A 1 112 ? -31.837 -1.378  0.038   1.00 21.90 ? 112 ARG A N   1 
ATOM   855  C  CA  . ARG A 1 112 ? -33.235 -1.455  -0.373  1.00 22.10 ? 112 ARG A CA  1 
ATOM   856  C  C   . ARG A 1 112 ? -34.093 -2.126  0.695   1.00 22.43 ? 112 ARG A C   1 
ATOM   857  O  O   . ARG A 1 112 ? -35.207 -1.674  0.982   1.00 22.80 ? 112 ARG A O   1 
ATOM   858  C  CB  . ARG A 1 112 ? -33.345 -2.214  -1.699  1.00 26.25 ? 112 ARG A CB  1 
ATOM   859  C  CG  . ARG A 1 112 ? -34.714 -2.138  -2.337  1.00 31.34 ? 112 ARG A CG  1 
ATOM   860  C  CD  . ARG A 1 112 ? -34.656 -2.535  -3.804  1.00 37.72 ? 112 ARG A CD  1 
ATOM   861  N  NE  . ARG A 1 112 ? -34.603 -3.985  -3.948  1.00 43.24 ? 112 ARG A NE  1 
ATOM   862  C  CZ  . ARG A 1 112 ? -33.506 -4.667  -4.266  1.00 39.46 ? 112 ARG A CZ  1 
ATOM   863  N  NH1 . ARG A 1 112 ? -32.365 -4.029  -4.493  1.00 43.25 ? 112 ARG A NH1 1 
ATOM   864  N  NH2 . ARG A 1 112 ? -33.555 -5.991  -4.368  1.00 39.98 ? 112 ARG A NH2 1 
ATOM   865  N  N   . ASN A 1 113 ? -33.586 -3.192  1.313   1.00 21.93 ? 113 ASN A N   1 
ATOM   866  C  CA  . ASN A 1 113 ? -34.435 -3.997  2.180   1.00 22.86 ? 113 ASN A CA  1 
ATOM   867  C  C   . ASN A 1 113 ? -34.395 -3.571  3.633   1.00 24.29 ? 113 ASN A C   1 
ATOM   868  O  O   . ASN A 1 113 ? -35.318 -3.904  4.386   1.00 26.52 ? 113 ASN A O   1 
ATOM   869  C  CB  . ASN A 1 113 ? -34.035 -5.468  2.084   1.00 23.32 ? 113 ASN A CB  1 
ATOM   870  C  CG  . ASN A 1 113 ? -34.402 -6.075  0.755   1.00 24.73 ? 113 ASN A CG  1 
ATOM   871  O  OD1 . ASN A 1 113 ? -35.392 -5.685  0.132   1.00 27.19 ? 113 ASN A OD1 1 
ATOM   872  N  ND2 . ASN A 1 113 ? -33.603 -7.035  0.308   1.00 24.87 ? 113 ASN A ND2 1 
ATOM   873  N  N   . ARG A 1 114 ? -33.371 -2.829  4.049   1.00 22.81 ? 114 ARG A N   1 
ATOM   874  C  CA  . ARG A 1 114 ? -33.207 -2.524  5.462   1.00 23.56 ? 114 ARG A CA  1 
ATOM   875  C  C   . ARG A 1 114 ? -33.014 -1.052  5.784   1.00 25.76 ? 114 ARG A C   1 
ATOM   876  O  O   . ARG A 1 114 ? -33.119 -0.688  6.961   1.00 27.02 ? 114 ARG A O   1 
ATOM   877  C  CB  . ARG A 1 114 ? -32.034 -3.331  6.032   1.00 23.36 ? 114 ARG A CB  1 
ATOM   878  C  CG  . ARG A 1 114 ? -32.240 -4.821  5.752   1.00 25.78 ? 114 ARG A CG  1 
ATOM   879  C  CD  . ARG A 1 114 ? -31.127 -5.667  6.272   1.00 26.33 ? 114 ARG A CD  1 
ATOM   880  N  NE  . ARG A 1 114 ? -31.199 -5.820  7.720   1.00 24.86 ? 114 ARG A NE  1 
ATOM   881  C  CZ  . ARG A 1 114 ? -30.347 -6.563  8.413   1.00 25.36 ? 114 ARG A CZ  1 
ATOM   882  N  NH1 . ARG A 1 114 ? -29.373 -7.202  7.776   1.00 24.68 ? 114 ARG A NH1 1 
ATOM   883  N  NH2 . ARG A 1 114 ? -30.461 -6.651  9.730   1.00 27.59 ? 114 ARG A NH2 1 
ATOM   884  N  N   . CYS A 1 115 ? -32.769 -0.193  4.798   1.00 20.70 ? 115 CYS A N   1 
ATOM   885  C  CA  . CYS A 1 115 ? -32.564 1.231   5.051   1.00 21.39 ? 115 CYS A CA  1 
ATOM   886  C  C   . CYS A 1 115 ? -33.596 2.107   4.367   1.00 23.57 ? 115 CYS A C   1 
ATOM   887  O  O   . CYS A 1 115 ? -34.080 3.083   4.966   1.00 24.08 ? 115 CYS A O   1 
ATOM   888  C  CB  . CYS A 1 115 ? -31.166 1.660   4.578   1.00 20.53 ? 115 CYS A CB  1 
ATOM   889  S  SG  . CYS A 1 115 ? -29.811 0.719   5.311   1.00 21.00 ? 115 CYS A SG  1 
ATOM   890  N  N   . LYS A 1 116 ? -33.939 1.781   3.122   1.00 21.71 ? 116 LYS A N   1 
ATOM   891  C  CA  . LYS A 1 116 ? -34.898 2.567   2.353   1.00 23.20 ? 116 LYS A CA  1 
ATOM   892  C  C   . LYS A 1 116 ? -36.212 2.714   3.105   1.00 25.00 ? 116 LYS A C   1 
ATOM   893  O  O   . LYS A 1 116 ? -36.802 1.726   3.555   1.00 26.23 ? 116 LYS A O   1 
ATOM   894  C  CB  . LYS A 1 116 ? -35.134 1.895   1.003   1.00 23.14 ? 116 LYS A CB  1 
ATOM   895  C  CG  . LYS A 1 116 ? -35.964 2.694   0.004   1.00 22.82 ? 116 LYS A CG  1 
ATOM   896  C  CD  . LYS A 1 116 ? -36.148 1.873   -1.282  1.00 22.46 ? 116 LYS A CD  1 
ATOM   897  C  CE  . LYS A 1 116 ? -36.752 2.692   -2.424  1.00 25.88 ? 116 LYS A CE  1 
ATOM   898  N  NZ  . LYS A 1 116 ? -36.735 1.903   -3.702  1.00 28.87 ? 116 LYS A NZ  1 
ATOM   899  N  N   . GLY A 1 117 ? -36.660 3.955   3.256   1.00 26.23 ? 117 GLY A N   1 
ATOM   900  C  CA  . GLY A 1 117 ? -37.936 4.199   3.895   1.00 29.32 ? 117 GLY A CA  1 
ATOM   901  C  C   . GLY A 1 117 ? -37.906 4.166   5.404   1.00 32.33 ? 117 GLY A C   1 
ATOM   902  O  O   . GLY A 1 117 ? -38.971 4.216   6.031   1.00 35.67 ? 117 GLY A O   1 
ATOM   903  N  N   . THR A 1 118 ? -36.730 4.080   6.008   1.00 28.72 ? 118 THR A N   1 
ATOM   904  C  CA  . THR A 1 118 ? -36.575 4.142   7.452   1.00 28.11 ? 118 THR A CA  1 
ATOM   905  C  C   . THR A 1 118 ? -35.973 5.486   7.844   1.00 28.26 ? 118 THR A C   1 
ATOM   906  O  O   . THR A 1 118 ? -35.561 6.286   6.999   1.00 28.06 ? 118 THR A O   1 
ATOM   907  C  CB  . THR A 1 118 ? -35.690 2.996   7.962   1.00 28.64 ? 118 THR A CB  1 
ATOM   908  O  OG1 . THR A 1 118 ? -34.322 3.267   7.628   1.00 25.77 ? 118 THR A OG1 1 
ATOM   909  C  CG2 . THR A 1 118 ? -36.106 1.672   7.338   1.00 27.56 ? 118 THR A CG2 1 
ATOM   910  N  N   . ASP A 1 119 ? -35.924 5.738   9.153   1.00 30.02 ? 119 ASP A N   1 
ATOM   911  C  CA  . ASP A 1 119 ? -35.315 6.968   9.668   1.00 30.88 ? 119 ASP A CA  1 
ATOM   912  C  C   . ASP A 1 119 ? -33.795 6.817   9.646   1.00 31.47 ? 119 ASP A C   1 
ATOM   913  O  O   . ASP A 1 119 ? -33.148 6.502   10.647  1.00 32.44 ? 119 ASP A O   1 
ATOM   914  C  CB  . ASP A 1 119 ? -35.828 7.270   11.072  1.00 33.65 ? 119 ASP A CB  1 
ATOM   915  C  CG  . ASP A 1 119 ? -35.193 8.516   11.669  1.00 39.27 ? 119 ASP A CG  1 
ATOM   916  O  OD1 . ASP A 1 119 ? -34.660 9.346   10.900  1.00 42.26 ? 119 ASP A OD1 1 
ATOM   917  O  OD2 . ASP A 1 119 ? -35.225 8.664   12.911  1.00 43.19 ? 119 ASP A OD2 1 
ATOM   918  N  N   . VAL A 1 120 ? -33.207 7.071   8.474   1.00 31.17 ? 120 VAL A N   1 
ATOM   919  C  CA  . VAL A 1 120 ? -31.773 6.831   8.328   1.00 28.46 ? 120 VAL A CA  1 
ATOM   920  C  C   . VAL A 1 120 ? -30.934 7.865   9.070   1.00 31.11 ? 120 VAL A C   1 
ATOM   921  O  O   . VAL A 1 120 ? -29.751 7.620   9.335   1.00 28.34 ? 120 VAL A O   1 
ATOM   922  C  CB  . VAL A 1 120 ? -31.377 6.782   6.841   1.00 30.39 ? 120 VAL A CB  1 
ATOM   923  C  CG1 . VAL A 1 120 ? -31.959 5.540   6.182   1.00 28.79 ? 120 VAL A CG1 1 
ATOM   924  C  CG2 . VAL A 1 120 ? -31.841 8.029   6.119   1.00 30.56 ? 120 VAL A CG2 1 
ATOM   925  N  N   . GLN A 1 121 ? -31.507 9.017   9.424   1.00 30.09 ? 121 GLN A N   1 
ATOM   926  C  CA  . GLN A 1 121 ? -30.745 9.988   10.199  1.00 31.28 ? 121 GLN A CA  1 
ATOM   927  C  C   . GLN A 1 121 ? -30.353 9.435   11.567  1.00 31.35 ? 121 GLN A C   1 
ATOM   928  O  O   . GLN A 1 121 ? -29.385 9.915   12.166  1.00 31.77 ? 121 GLN A O   1 
ATOM   929  C  CB  . GLN A 1 121 ? -31.544 11.292  10.347  1.00 36.89 ? 121 GLN A CB  1 
ATOM   930  C  CG  . GLN A 1 121 ? -30.800 12.401  11.098  1.00 41.55 ? 121 GLN A CG  1 
ATOM   931  C  CD  . GLN A 1 121 ? -30.215 13.471  10.179  1.00 51.82 ? 121 GLN A CD  1 
ATOM   932  O  OE1 . GLN A 1 121 ? -29.533 13.165  9.198   1.00 49.91 ? 121 GLN A OE1 1 
ATOM   933  N  NE2 . GLN A 1 121 ? -30.476 14.736  10.504  1.00 53.96 ? 121 GLN A NE2 1 
ATOM   934  N  N   . ALA A 1 122 ? -31.066 8.419   12.060  1.00 32.00 ? 122 ALA A N   1 
ATOM   935  C  CA  . ALA A 1 122 ? -30.689 7.788   13.320  1.00 30.17 ? 122 ALA A CA  1 
ATOM   936  C  C   . ALA A 1 122 ? -29.261 7.258   13.282  1.00 32.03 ? 122 ALA A C   1 
ATOM   937  O  O   . ALA A 1 122 ? -28.610 7.153   14.327  1.00 29.79 ? 122 ALA A O   1 
ATOM   938  C  CB  . ALA A 1 122 ? -31.662 6.655   13.656  1.00 34.61 ? 122 ALA A CB  1 
ATOM   939  N  N   . TRP A 1 123 ? -28.753 6.929   12.087  1.00 28.44 ? 123 TRP A N   1 
ATOM   940  C  CA  . TRP A 1 123 ? -27.423 6.334   11.976  1.00 27.00 ? 123 TRP A CA  1 
ATOM   941  C  C   . TRP A 1 123 ? -26.302 7.334   12.211  1.00 26.21 ? 123 TRP A C   1 
ATOM   942  O  O   . TRP A 1 123 ? -25.163 6.921   12.460  1.00 29.02 ? 123 TRP A O   1 
ATOM   943  C  CB  . TRP A 1 123 ? -27.264 5.663   10.605  1.00 27.09 ? 123 TRP A CB  1 
ATOM   944  C  CG  . TRP A 1 123 ? -28.063 4.425   10.555  1.00 26.34 ? 123 TRP A CG  1 
ATOM   945  C  CD1 . TRP A 1 123 ? -29.286 4.262   9.981   1.00 28.95 ? 123 TRP A CD1 1 
ATOM   946  C  CD2 . TRP A 1 123 ? -27.729 3.170   11.156  1.00 25.16 ? 123 TRP A CD2 1 
ATOM   947  N  NE1 . TRP A 1 123 ? -29.734 2.975   10.178  1.00 28.74 ? 123 TRP A NE1 1 
ATOM   948  C  CE2 . TRP A 1 123 ? -28.796 2.285   10.896  1.00 25.90 ? 123 TRP A CE2 1 
ATOM   949  C  CE3 . TRP A 1 123 ? -26.632 2.711   11.892  1.00 26.74 ? 123 TRP A CE3 1 
ATOM   950  C  CZ2 . TRP A 1 123 ? -28.794 0.963   11.336  1.00 28.86 ? 123 TRP A CZ2 1 
ATOM   951  C  CZ3 . TRP A 1 123 ? -26.631 1.395   12.332  1.00 30.81 ? 123 TRP A CZ3 1 
ATOM   952  C  CH2 . TRP A 1 123 ? -27.708 0.538   12.050  1.00 29.23 ? 123 TRP A CH2 1 
ATOM   953  N  N   . ILE A 1 124 ? -26.578 8.635   12.156  1.00 28.17 ? 124 ILE A N   1 
ATOM   954  C  CA  . ILE A 1 124 ? -25.561 9.638   12.433  1.00 28.10 ? 124 ILE A CA  1 
ATOM   955  C  C   . ILE A 1 124 ? -25.871 10.459  13.674  1.00 28.39 ? 124 ILE A C   1 
ATOM   956  O  O   . ILE A 1 124 ? -25.124 11.394  13.989  1.00 30.31 ? 124 ILE A O   1 
ATOM   957  C  CB  . ILE A 1 124 ? -25.327 10.558  11.218  1.00 29.83 ? 124 ILE A CB  1 
ATOM   958  C  CG1 . ILE A 1 124 ? -26.634 11.214  10.773  1.00 33.48 ? 124 ILE A CG1 1 
ATOM   959  C  CG2 . ILE A 1 124 ? -24.706 9.755   10.068  1.00 30.33 ? 124 ILE A CG2 1 
ATOM   960  C  CD1 . ILE A 1 124 ? -26.435 12.300  9.741   1.00 36.19 ? 124 ILE A CD1 1 
ATOM   961  N  N   . ARG A 1 125 ? -26.938 10.120  14.399  1.00 30.57 ? 125 ARG A N   1 
ATOM   962  C  CA  . ARG A 1 125 ? -27.297 10.820  15.628  1.00 30.52 ? 125 ARG A CA  1 
ATOM   963  C  C   . ARG A 1 125 ? -26.196 10.679  16.671  1.00 32.59 ? 125 ARG A C   1 
ATOM   964  O  O   . ARG A 1 125 ? -25.618 9.604   16.849  1.00 34.43 ? 125 ARG A O   1 
ATOM   965  C  CB  . ARG A 1 125 ? -28.615 10.264  16.175  1.00 38.49 ? 125 ARG A CB  1 
ATOM   966  C  CG  . ARG A 1 125 ? -29.384 11.216  17.078  1.00 41.71 ? 125 ARG A CG  1 
ATOM   967  C  CD  . ARG A 1 125 ? -30.849 10.810  17.193  1.00 46.43 ? 125 ARG A CD  1 
ATOM   968  N  NE  . ARG A 1 125 ? -31.588 11.017  15.945  1.00 45.72 ? 125 ARG A NE  1 
ATOM   969  C  CZ  . ARG A 1 125 ? -32.520 10.186  15.484  1.00 47.36 ? 125 ARG A CZ  1 
ATOM   970  N  NH1 . ARG A 1 125 ? -32.828 9.089   16.165  1.00 49.85 ? 125 ARG A NH1 1 
ATOM   971  N  NH2 . ARG A 1 125 ? -33.145 10.449  14.342  1.00 46.67 ? 125 ARG A NH2 1 
ATOM   972  N  N   . GLY A 1 126 ? -25.903 11.783  17.362  1.00 35.35 ? 126 GLY A N   1 
ATOM   973  C  CA  . GLY A 1 126 ? -24.860 11.806  18.364  1.00 34.59 ? 126 GLY A CA  1 
ATOM   974  C  C   . GLY A 1 126 ? -23.457 11.983  17.827  1.00 38.05 ? 126 GLY A C   1 
ATOM   975  O  O   . GLY A 1 126 ? -22.543 12.266  18.612  1.00 39.60 ? 126 GLY A O   1 
ATOM   976  N  N   . CYS A 1 127 ? -23.247 11.840  16.520  1.00 35.53 ? 127 CYS A N   1 
ATOM   977  C  CA  . CYS A 1 127 ? -21.914 11.993  15.950  1.00 32.47 ? 127 CYS A CA  1 
ATOM   978  C  C   . CYS A 1 127 ? -21.569 13.464  15.751  1.00 35.96 ? 127 CYS A C   1 
ATOM   979  O  O   . CYS A 1 127 ? -22.420 14.281  15.400  1.00 35.92 ? 127 CYS A O   1 
ATOM   980  C  CB  . CYS A 1 127 ? -21.803 11.265  14.609  1.00 34.58 ? 127 CYS A CB  1 
ATOM   981  S  SG  . CYS A 1 127 ? -22.312 9.546   14.675  1.00 32.09 ? 127 CYS A SG  1 
ATOM   982  N  N   . ARG A 1 128 ? -20.308 13.803  15.963  1.00 38.58 ? 128 ARG A N   1 
ATOM   983  C  CA  . ARG A 1 128 ? -19.834 15.147  15.663  1.00 40.33 ? 128 ARG A CA  1 
ATOM   984  C  C   . ARG A 1 128 ? -19.333 15.163  14.229  1.00 40.72 ? 128 ARG A C   1 
ATOM   985  O  O   . ARG A 1 128 ? -18.342 14.497  13.909  1.00 46.71 ? 128 ARG A O   1 
ATOM   986  C  CB  . ARG A 1 128 ? -18.722 15.569  16.616  1.00 41.97 ? 128 ARG A CB  1 
ATOM   987  C  CG  . ARG A 1 128 ? -18.515 17.071  16.765  1.00 46.67 ? 128 ARG A CG  1 
ATOM   988  C  CD  . ARG A 1 128 ? -17.675 17.277  17.988  1.00 49.67 ? 128 ARG A CD  1 
ATOM   989  N  NE  . ARG A 1 128 ? -17.012 16.008  18.241  1.00 48.56 ? 128 ARG A NE  1 
ATOM   990  C  CZ  . ARG A 1 128 ? -16.689 15.543  19.434  1.00 48.78 ? 128 ARG A CZ  1 
ATOM   991  N  NH1 . ARG A 1 128 ? -16.086 14.369  19.526  1.00 47.20 ? 128 ARG A NH1 1 
ATOM   992  N  NH2 . ARG A 1 128 ? -16.996 16.232  20.521  1.00 53.37 ? 128 ARG A NH2 1 
ATOM   993  N  N   . LEU A 1 129 ? -20.010 15.923  13.376  1.00 44.69 ? 129 LEU A N   1 
ATOM   994  C  CA  . LEU A 1 129 ? -19.674 15.992  11.962  1.00 47.75 ? 129 LEU A CA  1 
ATOM   995  C  C   . LEU A 1 129 ? -19.466 17.451  11.576  1.00 51.49 ? 129 LEU A C   1 
ATOM   996  O  O   . LEU A 1 129 ? -18.721 17.761  10.651  1.00 52.59 ? 129 LEU A O   1 
ATOM   997  C  CB  . LEU A 1 129 ? -20.776 15.348  11.117  1.00 46.74 ? 129 LEU A CB  1 
ATOM   998  C  CG  . LEU A 1 129 ? -21.098 13.916  11.555  1.00 44.68 ? 129 LEU A CG  1 
ATOM   999  C  CD1 . LEU A 1 129 ? -22.483 13.478  11.098  1.00 44.96 ? 129 LEU A CD1 1 
ATOM   1000 C  CD2 . LEU A 1 129 ? -20.035 12.945  11.070  1.00 43.00 ? 129 LEU A CD2 1 
ATOM   1001 O  OXT . LEU A 1 129 ? -20.016 18.359  12.201  1.00 53.46 ? 129 LEU A OXT 1 
HETATM 1002 NA NA  . NA  B 2 .   ? -14.587 -7.880  -12.861 1.00 27.38 ? 201 NA  A NA  1 
HETATM 1003 CL CL  . CL  C 3 .   ? -31.800 8.324   -7.133  1.00 30.55 ? 202 CL  A CL  1 
HETATM 1004 CL CL  . CL  D 3 .   ? -29.110 11.287  7.183   1.00 37.46 ? 203 CL  A CL  1 
HETATM 1005 O  O   . HOH E 4 .   ? -35.790 -5.456  -2.700  1.00 41.68 ? 301 HOH A O   1 
HETATM 1006 O  O   . HOH E 4 .   ? -13.799 -1.313  2.097   1.00 33.19 ? 302 HOH A O   1 
HETATM 1007 O  O   . HOH E 4 .   ? -12.931 4.092   -9.230  1.00 44.08 ? 303 HOH A O   1 
HETATM 1008 O  O   . HOH E 4 .   ? -26.397 -0.388  -10.562 1.00 41.08 ? 304 HOH A O   1 
HETATM 1009 O  O   . HOH E 4 .   ? -27.148 2.197   -9.070  1.00 33.95 ? 305 HOH A O   1 
HETATM 1010 O  O   . HOH E 4 .   ? -25.173 -12.502 -12.687 1.00 39.61 ? 306 HOH A O   1 
HETATM 1011 O  O   . HOH E 4 .   ? -24.715 14.160  14.151  1.00 40.22 ? 307 HOH A O   1 
HETATM 1012 O  O   . HOH E 4 .   ? -23.472 -5.661  -3.485  1.00 46.33 ? 308 HOH A O   1 
HETATM 1013 O  O   . HOH E 4 .   ? -35.621 6.962   4.453   1.00 36.04 ? 309 HOH A O   1 
HETATM 1014 O  O   . HOH E 4 .   ? -23.647 -10.900 -9.645  1.00 50.23 ? 310 HOH A O   1 
HETATM 1015 O  O   . HOH E 4 .   ? -13.375 -11.619 4.069   1.00 23.53 ? 311 HOH A O   1 
HETATM 1016 O  O   . HOH E 4 .   ? -28.590 7.004   -10.301 1.00 34.47 ? 312 HOH A O   1 
HETATM 1017 O  O   . HOH E 4 .   ? -18.264 -1.039  14.882  1.00 36.70 ? 313 HOH A O   1 
HETATM 1018 O  O   . HOH E 4 .   ? -10.915 -5.677  9.611   1.00 24.75 ? 314 HOH A O   1 
HETATM 1019 O  O   . HOH E 4 .   ? -24.730 -7.593  -0.825  1.00 35.36 ? 315 HOH A O   1 
HETATM 1020 O  O   . HOH E 4 .   ? -14.991 -13.922 -7.774  1.00 24.91 ? 316 HOH A O   1 
HETATM 1021 O  O   . HOH E 4 .   ? -12.197 0.429   2.296   1.00 33.21 ? 317 HOH A O   1 
HETATM 1022 O  O   . HOH E 4 .   ? -33.805 -1.557  9.466   1.00 32.91 ? 318 HOH A O   1 
HETATM 1023 O  O   . HOH E 4 .   ? -22.730 -9.192  0.281   1.00 31.35 ? 319 HOH A O   1 
HETATM 1024 O  O   . HOH E 4 .   ? -6.175  -4.001  0.398   1.00 42.01 ? 320 HOH A O   1 
HETATM 1025 O  O   . HOH E 4 .   ? -4.584  -4.071  -3.265  1.00 43.97 ? 321 HOH A O   1 
HETATM 1026 O  O   . HOH E 4 .   ? -7.249  -3.551  8.430   1.00 37.28 ? 322 HOH A O   1 
HETATM 1027 O  O   . HOH E 4 .   ? -36.357 -0.999  3.968   1.00 30.17 ? 323 HOH A O   1 
HETATM 1028 O  O   . HOH E 4 .   ? -33.793 6.326   2.424   1.00 34.27 ? 324 HOH A O   1 
HETATM 1029 O  O   . HOH E 4 .   ? -4.155  -7.530  -5.611  1.00 35.99 ? 325 HOH A O   1 
HETATM 1030 O  O   . HOH E 4 .   ? -8.463  3.315   -0.712  1.00 32.09 ? 326 HOH A O   1 
HETATM 1031 O  O   . HOH E 4 .   ? -23.811 -8.711  3.243   1.00 42.85 ? 327 HOH A O   1 
HETATM 1032 O  O   . HOH E 4 .   ? -26.193 -7.745  3.517   1.00 33.91 ? 328 HOH A O   1 
HETATM 1033 O  O   . HOH E 4 .   ? -15.671 8.501   -8.648  1.00 38.70 ? 329 HOH A O   1 
HETATM 1034 O  O   . HOH E 4 .   ? -7.114  1.065   -1.801  1.00 37.98 ? 330 HOH A O   1 
HETATM 1035 O  O   . HOH E 4 .   ? -32.589 2.557   9.764   1.00 34.32 ? 331 HOH A O   1 
HETATM 1036 O  O   . HOH E 4 .   ? -14.660 -14.660 0.000   0.50 32.36 ? 332 HOH A O   1 
HETATM 1037 O  O   . HOH E 4 .   ? -12.125 3.338   -6.913  1.00 35.02 ? 333 HOH A O   1 
HETATM 1038 O  O   . HOH E 4 .   ? -32.217 14.648  -1.369  1.00 36.03 ? 334 HOH A O   1 
HETATM 1039 O  O   . HOH E 4 .   ? -12.891 8.934   10.712  1.00 38.65 ? 335 HOH A O   1 
HETATM 1040 O  O   . HOH E 4 .   ? -19.979 15.005  2.223   1.00 35.76 ? 336 HOH A O   1 
HETATM 1041 O  O   . HOH E 4 .   ? -31.721 10.736  -4.730  1.00 30.01 ? 337 HOH A O   1 
HETATM 1042 O  O   . HOH E 4 .   ? -6.033  -6.534  -10.936 1.00 47.61 ? 338 HOH A O   1 
HETATM 1043 O  O   . HOH E 4 .   ? -16.505 -1.650  -0.662  1.00 24.02 ? 339 HOH A O   1 
HETATM 1044 O  O   . HOH E 4 .   ? -11.880 1.608   14.372  1.00 41.62 ? 340 HOH A O   1 
HETATM 1045 O  O   . HOH E 4 .   ? -13.116 -9.814  -11.955 1.00 27.33 ? 341 HOH A O   1 
HETATM 1046 O  O   . HOH E 4 .   ? -11.204 1.245   -0.121  1.00 29.74 ? 342 HOH A O   1 
HETATM 1047 O  O   . HOH E 4 .   ? -7.340  3.041   12.289  1.00 50.91 ? 343 HOH A O   1 
HETATM 1048 O  O   . HOH E 4 .   ? -12.918 -12.918 -19.175 0.50 40.19 ? 344 HOH A O   1 
HETATM 1049 O  O   . HOH E 4 .   ? -18.012 -8.410  8.394   1.00 30.13 ? 345 HOH A O   1 
HETATM 1050 O  O   . HOH E 4 .   ? -38.472 -0.390  -3.127  1.00 35.67 ? 346 HOH A O   1 
HETATM 1051 O  O   . HOH E 4 .   ? -26.357 -5.659  -3.598  1.00 35.41 ? 347 HOH A O   1 
HETATM 1052 O  O   . HOH E 4 .   ? -9.040  4.560   8.248   1.00 49.29 ? 348 HOH A O   1 
HETATM 1053 O  O   . HOH E 4 .   ? -24.741 -5.788  10.579  1.00 45.86 ? 349 HOH A O   1 
HETATM 1054 O  O   . HOH E 4 .   ? -10.592 7.289   11.075  1.00 48.27 ? 350 HOH A O   1 
HETATM 1055 O  O   . HOH E 4 .   ? -28.169 -7.880  11.150  1.00 29.45 ? 351 HOH A O   1 
HETATM 1056 O  O   . HOH E 4 .   ? -18.680 -16.379 0.773   1.00 34.90 ? 352 HOH A O   1 
HETATM 1057 O  O   . HOH E 4 .   ? -6.130  -10.223 -12.402 1.00 33.99 ? 353 HOH A O   1 
HETATM 1058 O  O   . HOH E 4 .   ? -22.155 17.566  14.661  1.00 44.67 ? 354 HOH A O   1 
HETATM 1059 O  O   . HOH E 4 .   ? -10.138 -2.728  13.435  1.00 33.86 ? 355 HOH A O   1 
HETATM 1060 O  O   . HOH E 4 .   ? -25.299 -14.159 -8.150  1.00 41.54 ? 356 HOH A O   1 
HETATM 1061 O  O   . HOH E 4 .   ? -9.050  -10.573 -15.583 1.00 48.00 ? 357 HOH A O   1 
HETATM 1062 O  O   . HOH E 4 .   ? -10.262 -18.976 -6.395  1.00 33.57 ? 358 HOH A O   1 
HETATM 1063 O  O   . HOH E 4 .   ? -15.728 14.912  8.468   1.00 46.22 ? 359 HOH A O   1 
HETATM 1064 O  O   . HOH E 4 .   ? -5.139  -1.509  4.616   1.00 42.81 ? 360 HOH A O   1 
HETATM 1065 O  O   . HOH E 4 .   ? -21.901 -3.736  -6.391  1.00 30.65 ? 361 HOH A O   1 
HETATM 1066 O  O   . HOH E 4 .   ? -23.928 14.903  -6.261  1.00 43.89 ? 362 HOH A O   1 
HETATM 1067 O  O   . HOH E 4 .   ? -37.802 4.133   10.982  1.00 41.37 ? 363 HOH A O   1 
HETATM 1068 O  O   . HOH E 4 .   ? -19.340 -3.433  13.906  1.00 45.17 ? 364 HOH A O   1 
HETATM 1069 O  O   . HOH E 4 .   ? -12.597 -7.694  -14.298 1.00 31.04 ? 365 HOH A O   1 
HETATM 1070 O  O   . HOH E 4 .   ? -7.333  -2.966  -12.798 1.00 47.43 ? 366 HOH A O   1 
HETATM 1071 O  O   . HOH E 4 .   ? -33.133 -4.379  9.703   1.00 28.58 ? 367 HOH A O   1 
HETATM 1072 O  O   . HOH E 4 .   ? -17.139 5.939   16.349  1.00 32.81 ? 368 HOH A O   1 
HETATM 1073 O  O   . HOH E 4 .   ? -19.193 5.515   17.106  1.00 35.69 ? 369 HOH A O   1 
HETATM 1074 O  O   . HOH E 4 .   ? -33.963 10.433  8.017   1.00 46.52 ? 370 HOH A O   1 
HETATM 1075 O  O   . HOH E 4 .   ? -20.211 1.280   16.195  1.00 43.57 ? 371 HOH A O   1 
HETATM 1076 O  O   . HOH E 4 .   ? -24.334 -6.718  -6.604  1.00 43.79 ? 372 HOH A O   1 
HETATM 1077 O  O   . HOH E 4 .   ? -11.945 -11.538 -14.071 1.00 26.36 ? 373 HOH A O   1 
HETATM 1078 O  O   . HOH E 4 .   ? -33.348 9.672   3.377   1.00 36.72 ? 374 HOH A O   1 
HETATM 1079 O  O   . HOH E 4 .   ? -18.386 19.210  19.848  1.00 50.67 ? 375 HOH A O   1 
HETATM 1080 O  O   . HOH E 4 .   ? -23.541 -2.632  -5.277  1.00 48.38 ? 376 HOH A O   1 
HETATM 1081 O  O   . HOH E 4 .   ? -39.444 3.758   0.853   1.00 39.38 ? 377 HOH A O   1 
HETATM 1082 O  O   . HOH E 4 .   ? -18.416 -20.209 -7.043  1.00 51.97 ? 378 HOH A O   1 
HETATM 1083 O  O   . HOH E 4 .   ? -28.537 3.456   15.485  1.00 42.39 ? 379 HOH A O   1 
HETATM 1084 O  O   . HOH E 4 .   ? -26.292 -3.866  -13.009 1.00 52.14 ? 380 HOH A O   1 
HETATM 1085 O  O   . HOH E 4 .   ? -24.942 -2.375  -13.982 1.00 47.53 ? 381 HOH A O   1 
HETATM 1086 O  O   . HOH E 4 .   ? -23.852 -0.862  -15.548 1.00 53.65 ? 382 HOH A O   1 
HETATM 1087 O  O   . HOH E 4 .   ? -18.720 2.096   18.249  1.00 52.62 ? 383 HOH A O   1 
HETATM 1088 O  O   . HOH E 4 .   ? -4.275  -1.958  -2.020  1.00 53.64 ? 384 HOH A O   1 
HETATM 1089 O  O   . HOH E 4 .   ? -20.255 18.018  2.727   1.00 47.86 ? 385 HOH A O   1 
HETATM 1090 O  O   . HOH E 4 .   ? -30.185 2.682   14.744  1.00 41.20 ? 386 HOH A O   1 
# 
