data_9L9R
# 
_entry.id   9L9R 
# 
_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   9L9R         pdb_00009l9r 10.2210/pdb9l9r/pdb 
WWPDB D_1300055251 ?            ?                   
# 
_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                        9L9R 
_pdbx_database_status.recvd_initial_deposition_date   2024-12-31 
_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   0000-0003-3268-354X 
# 
_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 determined by serial synchrotron crystallography' 
_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   0000-0003-3268-354X 
# 
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 'CHLORIDE ION' 35.453    2  ?        ? ? ? 
3 water       nat water          18.015    89 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        '1,4-beta-N-acetylmuramidase C,Allergen Gal d IV' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPC
SALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_entity_poly.pdbx_seq_one_letter_code_can   
;KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPC
SALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'CHLORIDE ION' CL  
3 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 
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   19  19  LYS LYS A . n 
A 1 2   VAL 2   20  20  VAL VAL A . n 
A 1 3   PHE 3   21  21  PHE PHE A . n 
A 1 4   GLY 4   22  22  GLY GLY A . n 
A 1 5   ARG 5   23  23  ARG ARG A . n 
A 1 6   CYS 6   24  24  CYS CYS A . n 
A 1 7   GLU 7   25  25  GLU GLU A . n 
A 1 8   LEU 8   26  26  LEU LEU A . n 
A 1 9   ALA 9   27  27  ALA ALA A . n 
A 1 10  ALA 10  28  28  ALA ALA A . n 
A 1 11  ALA 11  29  29  ALA ALA A . n 
A 1 12  MET 12  30  30  MET MET A . n 
A 1 13  LYS 13  31  31  LYS LYS A . n 
A 1 14  ARG 14  32  32  ARG ARG A . n 
A 1 15  HIS 15  33  33  HIS HIS A . n 
A 1 16  GLY 16  34  34  GLY GLY A . n 
A 1 17  LEU 17  35  35  LEU LEU A . n 
A 1 18  ASP 18  36  36  ASP ASP A . n 
A 1 19  ASN 19  37  37  ASN ASN A . n 
A 1 20  TYR 20  38  38  TYR TYR A . n 
A 1 21  ARG 21  39  39  ARG ARG A . n 
A 1 22  GLY 22  40  40  GLY GLY A . n 
A 1 23  TYR 23  41  41  TYR TYR A . n 
A 1 24  SER 24  42  42  SER SER A . n 
A 1 25  LEU 25  43  43  LEU LEU A . n 
A 1 26  GLY 26  44  44  GLY GLY A . n 
A 1 27  ASN 27  45  45  ASN ASN A . n 
A 1 28  TRP 28  46  46  TRP TRP A . n 
A 1 29  VAL 29  47  47  VAL VAL A . n 
A 1 30  CYS 30  48  48  CYS CYS A . n 
A 1 31  ALA 31  49  49  ALA ALA A . n 
A 1 32  ALA 32  50  50  ALA ALA A . n 
A 1 33  LYS 33  51  51  LYS LYS A . n 
A 1 34  PHE 34  52  52  PHE PHE A . n 
A 1 35  GLU 35  53  53  GLU GLU A . n 
A 1 36  SER 36  54  54  SER SER A . n 
A 1 37  ASN 37  55  55  ASN ASN A . n 
A 1 38  PHE 38  56  56  PHE PHE A . n 
A 1 39  ASN 39  57  57  ASN ASN A . n 
A 1 40  THR 40  58  58  THR THR A . n 
A 1 41  GLN 41  59  59  GLN GLN A . n 
A 1 42  ALA 42  60  60  ALA ALA A . n 
A 1 43  THR 43  61  61  THR THR A . n 
A 1 44  ASN 44  62  62  ASN ASN A . n 
A 1 45  ARG 45  63  63  ARG ARG A . n 
A 1 46  ASN 46  64  64  ASN ASN A . n 
A 1 47  THR 47  65  65  THR THR A . n 
A 1 48  ASP 48  66  66  ASP ASP A . n 
A 1 49  GLY 49  67  67  GLY GLY A . n 
A 1 50  SER 50  68  68  SER SER A . n 
A 1 51  THR 51  69  69  THR THR A . n 
A 1 52  ASP 52  70  70  ASP ASP A . n 
A 1 53  TYR 53  71  71  TYR TYR A . n 
A 1 54  GLY 54  72  72  GLY GLY A . n 
A 1 55  ILE 55  73  73  ILE ILE A . n 
A 1 56  LEU 56  74  74  LEU LEU A . n 
A 1 57  GLN 57  75  75  GLN GLN A . n 
A 1 58  ILE 58  76  76  ILE ILE A . n 
A 1 59  ASN 59  77  77  ASN ASN A . n 
A 1 60  SER 60  78  78  SER SER A . n 
A 1 61  ARG 61  79  79  ARG ARG A . n 
A 1 62  TRP 62  80  80  TRP TRP A . n 
A 1 63  TRP 63  81  81  TRP TRP A . n 
A 1 64  CYS 64  82  82  CYS CYS A . n 
A 1 65  ASN 65  83  83  ASN ASN A . n 
A 1 66  ASP 66  84  84  ASP ASP A . n 
A 1 67  GLY 67  85  85  GLY GLY A . n 
A 1 68  ARG 68  86  86  ARG ARG A . n 
A 1 69  THR 69  87  87  THR THR A . n 
A 1 70  PRO 70  88  88  PRO PRO A . n 
A 1 71  GLY 71  89  89  GLY GLY A . n 
A 1 72  SER 72  90  90  SER SER A . n 
A 1 73  ARG 73  91  91  ARG ARG A . n 
A 1 74  ASN 74  92  92  ASN ASN A . n 
A 1 75  LEU 75  93  93  LEU LEU A . n 
A 1 76  CYS 76  94  94  CYS CYS A . n 
A 1 77  ASN 77  95  95  ASN ASN A . n 
A 1 78  ILE 78  96  96  ILE ILE A . n 
A 1 79  PRO 79  97  97  PRO PRO A . n 
A 1 80  CYS 80  98  98  CYS CYS A . n 
A 1 81  SER 81  99  99  SER SER A . n 
A 1 82  ALA 82  100 100 ALA ALA A . n 
A 1 83  LEU 83  101 101 LEU LEU A . n 
A 1 84  LEU 84  102 102 LEU LEU A . n 
A 1 85  SER 85  103 103 SER SER A . n 
A 1 86  SER 86  104 104 SER SER A . n 
A 1 87  ASP 87  105 105 ASP ASP A . n 
A 1 88  ILE 88  106 106 ILE ILE A . n 
A 1 89  THR 89  107 107 THR THR A . n 
A 1 90  ALA 90  108 108 ALA ALA A . n 
A 1 91  SER 91  109 109 SER SER A . n 
A 1 92  VAL 92  110 110 VAL VAL A . n 
A 1 93  ASN 93  111 111 ASN ASN A . n 
A 1 94  CYS 94  112 112 CYS CYS A . n 
A 1 95  ALA 95  113 113 ALA ALA A . n 
A 1 96  LYS 96  114 114 LYS LYS A . n 
A 1 97  LYS 97  115 115 LYS LYS A . n 
A 1 98  ILE 98  116 116 ILE ILE A . n 
A 1 99  VAL 99  117 117 VAL VAL A . n 
A 1 100 SER 100 118 118 SER SER A . n 
A 1 101 ASP 101 119 119 ASP ASP A . n 
A 1 102 GLY 102 120 120 GLY GLY A . n 
A 1 103 ASN 103 121 121 ASN ASN A . n 
A 1 104 GLY 104 122 122 GLY GLY A . n 
A 1 105 MET 105 123 123 MET MET A . n 
A 1 106 ASN 106 124 124 ASN ASN A . n 
A 1 107 ALA 107 125 125 ALA ALA A . n 
A 1 108 TRP 108 126 126 TRP TRP A . n 
A 1 109 VAL 109 127 127 VAL VAL A . n 
A 1 110 ALA 110 128 128 ALA ALA A . n 
A 1 111 TRP 111 129 129 TRP TRP A . n 
A 1 112 ARG 112 130 130 ARG ARG A . n 
A 1 113 ASN 113 131 131 ASN ASN A . n 
A 1 114 ARG 114 132 132 ARG ARG A . n 
A 1 115 CYS 115 133 133 CYS CYS A . n 
A 1 116 LYS 116 134 134 LYS LYS A . n 
A 1 117 GLY 117 135 135 GLY GLY A . n 
A 1 118 THR 118 136 136 THR THR A . n 
A 1 119 ASP 119 137 137 ASP ASP A . n 
A 1 120 VAL 120 138 138 VAL VAL A . n 
A 1 121 GLN 121 139 139 GLN GLN A . n 
A 1 122 ALA 122 140 140 ALA ALA A . n 
A 1 123 TRP 123 141 141 TRP TRP A . n 
A 1 124 ILE 124 142 142 ILE ILE A . n 
A 1 125 ARG 125 143 143 ARG ARG A . n 
A 1 126 GLY 126 144 144 GLY GLY A . n 
A 1 127 CYS 127 145 145 CYS CYS A . n 
A 1 128 ARG 128 146 146 ARG ARG A . n 
A 1 129 LEU 129 147 147 LEU LEU A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 CL  1  201 220 CL  CL  A . 
C 2 CL  1  202 221 CL  CL  A . 
D 3 HOH 1  301 72  HOH HOH A . 
D 3 HOH 2  302 1   HOH HOH A . 
D 3 HOH 3  303 17  HOH HOH A . 
D 3 HOH 4  304 47  HOH HOH A . 
D 3 HOH 5  305 43  HOH HOH A . 
D 3 HOH 6  306 81  HOH HOH A . 
D 3 HOH 7  307 45  HOH HOH A . 
D 3 HOH 8  308 38  HOH HOH A . 
D 3 HOH 9  309 64  HOH HOH A . 
D 3 HOH 10 310 19  HOH HOH A . 
D 3 HOH 11 311 25  HOH HOH A . 
D 3 HOH 12 312 46  HOH HOH A . 
D 3 HOH 13 313 54  HOH HOH A . 
D 3 HOH 14 314 61  HOH HOH A . 
D 3 HOH 15 315 3   HOH HOH A . 
D 3 HOH 16 316 36  HOH HOH A . 
D 3 HOH 17 317 67  HOH HOH A . 
D 3 HOH 18 318 13  HOH HOH A . 
D 3 HOH 19 319 2   HOH HOH A . 
D 3 HOH 20 320 29  HOH HOH A . 
D 3 HOH 21 321 58  HOH HOH A . 
D 3 HOH 22 322 48  HOH HOH A . 
D 3 HOH 23 323 7   HOH HOH A . 
D 3 HOH 24 324 35  HOH HOH A . 
D 3 HOH 25 325 44  HOH HOH A . 
D 3 HOH 26 326 15  HOH HOH A . 
D 3 HOH 27 327 49  HOH HOH A . 
D 3 HOH 28 328 51  HOH HOH A . 
D 3 HOH 29 329 20  HOH HOH A . 
D 3 HOH 30 330 31  HOH HOH A . 
D 3 HOH 31 331 55  HOH HOH A . 
D 3 HOH 32 332 24  HOH HOH A . 
D 3 HOH 33 333 74  HOH HOH A . 
D 3 HOH 34 334 53  HOH HOH A . 
D 3 HOH 35 335 41  HOH HOH A . 
D 3 HOH 36 336 75  HOH HOH A . 
D 3 HOH 37 337 6   HOH HOH A . 
D 3 HOH 38 338 79  HOH HOH A . 
D 3 HOH 39 339 33  HOH HOH A . 
D 3 HOH 40 340 23  HOH HOH A . 
D 3 HOH 41 341 4   HOH HOH A . 
D 3 HOH 42 342 34  HOH HOH A . 
D 3 HOH 43 343 73  HOH HOH A . 
D 3 HOH 44 344 42  HOH HOH A . 
D 3 HOH 45 345 12  HOH HOH A . 
D 3 HOH 46 346 69  HOH HOH A . 
D 3 HOH 47 347 63  HOH HOH A . 
D 3 HOH 48 348 59  HOH HOH A . 
D 3 HOH 49 349 28  HOH HOH A . 
D 3 HOH 50 350 40  HOH HOH A . 
D 3 HOH 51 351 37  HOH HOH A . 
D 3 HOH 52 352 57  HOH HOH A . 
D 3 HOH 53 353 16  HOH HOH A . 
D 3 HOH 54 354 22  HOH HOH A . 
D 3 HOH 55 355 68  HOH HOH A . 
D 3 HOH 56 356 26  HOH HOH A . 
D 3 HOH 57 357 60  HOH HOH A . 
D 3 HOH 58 358 56  HOH HOH A . 
D 3 HOH 59 359 30  HOH HOH A . 
D 3 HOH 60 360 65  HOH HOH A . 
D 3 HOH 61 361 11  HOH HOH A . 
D 3 HOH 62 362 88  HOH HOH A . 
D 3 HOH 63 363 9   HOH HOH A . 
D 3 HOH 64 364 32  HOH HOH A . 
D 3 HOH 65 365 18  HOH HOH A . 
D 3 HOH 66 366 8   HOH HOH A . 
D 3 HOH 67 367 39  HOH HOH A . 
D 3 HOH 68 368 85  HOH HOH A . 
D 3 HOH 69 369 27  HOH HOH A . 
D 3 HOH 70 370 14  HOH HOH A . 
D 3 HOH 71 371 10  HOH HOH A . 
D 3 HOH 72 372 50  HOH HOH A . 
D 3 HOH 73 373 71  HOH HOH A . 
D 3 HOH 74 374 70  HOH HOH A . 
D 3 HOH 75 375 21  HOH HOH A . 
D 3 HOH 76 376 87  HOH HOH A . 
D 3 HOH 77 377 66  HOH HOH A . 
D 3 HOH 78 378 84  HOH HOH A . 
D 3 HOH 79 379 52  HOH HOH A . 
D 3 HOH 80 380 62  HOH HOH A . 
D 3 HOH 81 381 82  HOH HOH A . 
D 3 HOH 82 382 5   HOH HOH A . 
D 3 HOH 83 383 86  HOH HOH A . 
D 3 HOH 84 384 83  HOH HOH A . 
D 3 HOH 85 385 80  HOH HOH A . 
D 3 HOH 86 386 76  HOH HOH A . 
D 3 HOH 87 387 77  HOH HOH A . 
D 3 HOH 88 388 78  HOH HOH A . 
D 3 HOH 89 389 89  HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? '(1.20.1_4487: ???)' 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? .                    2 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? .                    3 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? .                    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                     9L9R 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     78.980 
_cell.length_a_esd                 ? 
_cell.length_b                     78.980 
_cell.length_b_esd                 ? 
_cell.length_c                     38.240 
_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                         9L9R 
_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                   9L9R 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.08 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          40.88 
_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    'sodium acetate, NaCl, PEG8000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293.5 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     298.5 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   Y 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         '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                                       9L9R 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.45 
_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                                     22185 
_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                                710 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          9.6 
_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                                   0.9939 
_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                                    1.45 
_reflns_shell.d_res_low                                     1.50 
_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                             2153 
_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                                  0.5428 
_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                                 9L9R 
_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                            1.45 
_refine.ls_d_res_low                             55.85 
_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                     22009 
_refine.ls_number_reflns_R_free                  2000 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.91 
_refine.ls_percent_reflns_R_free                 9.09 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1803 
_refine.ls_R_factor_R_free                       0.1939 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1789 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 19.73 
_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                            0.19 
_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                       1.45 
_refine_hist.d_res_low                        55.85 
_refine_hist.number_atoms_solvent             89 
_refine_hist.number_atoms_total               1092 
_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         2 
_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' ? 0.811 ? 1381 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 5.744 ? 143  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.081 ? 144  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.010 ? 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' 1.45 1.49  . . 141 1417 100.00 . . . . 0.3415 . . . . . . . . . . . 0.3756 
'X-RAY DIFFRACTION' 1.49 1.53  . . 140 1395 100.00 . . . . 0.2735 . . . . . . . . . . . 0.2975 
'X-RAY DIFFRACTION' 1.53 1.57  . . 139 1390 100.00 . . . . 0.2280 . . . . . . . . . . . 0.2367 
'X-RAY DIFFRACTION' 1.57 1.62  . . 140 1401 100.00 . . . . 0.2035 . . . . . . . . . . . 0.2301 
'X-RAY DIFFRACTION' 1.62 1.68  . . 140 1408 100.00 . . . . 0.1956 . . . . . . . . . . . 0.2208 
'X-RAY DIFFRACTION' 1.68 1.75  . . 141 1405 100.00 . . . . 0.2215 . . . . . . . . . . . 0.2457 
'X-RAY DIFFRACTION' 1.75 1.83  . . 142 1417 100.00 . . . . 0.2177 . . . . . . . . . . . 0.2601 
'X-RAY DIFFRACTION' 1.83 1.92  . . 140 1402 100.00 . . . . 0.1807 . . . . . . . . . . . 0.1611 
'X-RAY DIFFRACTION' 1.92 2.04  . . 141 1420 100.00 . . . . 0.1729 . . . . . . . . . . . 0.2082 
'X-RAY DIFFRACTION' 2.04 2.20  . . 144 1434 100.00 . . . . 0.1748 . . . . . . . . . . . 0.2180 
'X-RAY DIFFRACTION' 2.20 2.42  . . 143 1431 100.00 . . . . 0.1709 . . . . . . . . . . . 0.1970 
'X-RAY DIFFRACTION' 2.42 2.77  . . 145 1447 100.00 . . . . 0.1810 . . . . . . . . . . . 0.2113 
'X-RAY DIFFRACTION' 2.77 3.49  . . 148 1477 100.00 . . . . 0.1730 . . . . . . . . . . . 0.1763 
'X-RAY DIFFRACTION' 3.50 55.85 . . 156 1565 100.00 . . . . 0.1626 . . . . . . . . . . . 0.1651 
# 
_struct.entry_id                     9L9R 
_struct.title                        'Room-temperature structure of lysozyme determined by serial synchrotron crystallography' 
_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        9L9R 
_struct_keywords.text            'lysozyme, serial synchrotron crystallography, serial crystallography, HYDROLASE' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 3 ? 
# 
_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              9L9R 
_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       19 
_struct_ref_seq.pdbx_auth_seq_align_end       147 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
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)' 250  ? 
1 MORE         -19  ? 
1 'SSA (A^2)'  6570 ? 
# 
_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 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLY A 4   ? HIS A 15  ? GLY A 22  HIS A 33  1 ? 12 
HELX_P HELX_P2 AA2 ASN A 19  ? TYR A 23  ? ASN A 37  TYR A 41  5 ? 5  
HELX_P HELX_P3 AA3 SER A 24  ? ASN A 37  ? SER A 42  ASN A 55  1 ? 14 
HELX_P HELX_P4 AA4 PRO A 79  ? SER A 85  ? PRO A 97  SER A 103 5 ? 7  
HELX_P HELX_P5 AA5 ILE A 88  ? SER A 100 ? ILE A 106 SER A 118 1 ? 13 
HELX_P HELX_P6 AA6 ASN A 103 ? ALA A 107 ? ASN A 121 ALA A 125 5 ? 5  
HELX_P HELX_P7 AA7 TRP A 108 ? CYS A 115 ? TRP A 126 CYS A 133 1 ? 8  
HELX_P HELX_P8 AA8 ASP A 119 ? ARG A 125 ? ASP A 137 ARG A 143 5 ? 7  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 6  SG ? ? ? 1_555 A CYS 127 SG ? ? A CYS 24 A CYS 145 1_555 ? ? ? ? ? ? ? 2.020 ? ? 
disulf2 disulf ? ? A CYS 30 SG ? ? ? 1_555 A CYS 115 SG ? ? A CYS 48 A CYS 133 1_555 ? ? ? ? ? ? ? 2.030 ? ? 
disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 80  SG ? ? A CYS 82 A CYS 98  1_555 ? ? ? ? ? ? ? 2.030 ? ? 
disulf4 disulf ? ? A CYS 76 SG ? ? ? 1_555 A CYS 94  SG ? ? A CYS 94 A CYS 112 1_555 ? ? ? ? ? ? ? 2.029 ? ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
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 24 ? 1_555 CYS A 145 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 30 ? CYS A 115 ? CYS A 48 ? 1_555 CYS A 133 ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 64 ? CYS A 80  ? CYS A 82 ? 1_555 CYS A 98  ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 76 ? CYS A 94  ? CYS A 94 ? 1_555 CYS A 112 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   3 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 THR A 43 ? ARG A 45 ? THR A 61 ARG A 63 
AA1 2 THR A 51 ? TYR A 53 ? THR A 69 TYR A 71 
AA1 3 ILE A 58 ? ASN A 59 ? ILE A 76 ASN A 77 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ASN A 44 ? N ASN A 62 O ASP A 52 ? O ASP A 70 
AA1 2 3 N TYR A 53 ? N TYR A 71 O ILE A 58 ? O ILE A 76 
# 
_pdbx_entry_details.entry_id                   9L9R 
_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_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     86 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -142.73 
_pdbx_validate_torsion.psi             25.29 
# 
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 325 ? D HOH . 
2 1 A HOH 351 ? D HOH . 
3 1 A HOH 388 ? D 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 
PHE N    N  N N 251 
PHE CA   C  N S 252 
PHE C    C  N N 253 
PHE O    O  N N 254 
PHE CB   C  N N 255 
PHE CG   C  Y N 256 
PHE CD1  C  Y N 257 
PHE CD2  C  Y N 258 
PHE CE1  C  Y N 259 
PHE CE2  C  Y N 260 
PHE CZ   C  Y N 261 
PHE OXT  O  N N 262 
PHE H    H  N N 263 
PHE H2   H  N N 264 
PHE HA   H  N N 265 
PHE HB2  H  N N 266 
PHE HB3  H  N N 267 
PHE HD1  H  N N 268 
PHE HD2  H  N N 269 
PHE HE1  H  N N 270 
PHE HE2  H  N N 271 
PHE HZ   H  N N 272 
PHE HXT  H  N N 273 
PRO N    N  N N 274 
PRO CA   C  N S 275 
PRO C    C  N N 276 
PRO O    O  N N 277 
PRO CB   C  N N 278 
PRO CG   C  N N 279 
PRO CD   C  N N 280 
PRO OXT  O  N N 281 
PRO H    H  N N 282 
PRO HA   H  N N 283 
PRO HB2  H  N N 284 
PRO HB3  H  N N 285 
PRO HG2  H  N N 286 
PRO HG3  H  N N 287 
PRO HD2  H  N N 288 
PRO HD3  H  N N 289 
PRO HXT  H  N N 290 
SER N    N  N N 291 
SER CA   C  N S 292 
SER C    C  N N 293 
SER O    O  N N 294 
SER CB   C  N N 295 
SER OG   O  N N 296 
SER OXT  O  N N 297 
SER H    H  N N 298 
SER H2   H  N N 299 
SER HA   H  N N 300 
SER HB2  H  N N 301 
SER HB3  H  N N 302 
SER HG   H  N N 303 
SER HXT  H  N N 304 
THR N    N  N N 305 
THR CA   C  N S 306 
THR C    C  N N 307 
THR O    O  N N 308 
THR CB   C  N R 309 
THR OG1  O  N N 310 
THR CG2  C  N N 311 
THR OXT  O  N N 312 
THR H    H  N N 313 
THR H2   H  N N 314 
THR HA   H  N N 315 
THR HB   H  N N 316 
THR HG1  H  N N 317 
THR HG21 H  N N 318 
THR HG22 H  N N 319 
THR HG23 H  N N 320 
THR HXT  H  N N 321 
TRP N    N  N N 322 
TRP CA   C  N S 323 
TRP C    C  N N 324 
TRP O    O  N N 325 
TRP CB   C  N N 326 
TRP CG   C  Y N 327 
TRP CD1  C  Y N 328 
TRP CD2  C  Y N 329 
TRP NE1  N  Y N 330 
TRP CE2  C  Y N 331 
TRP CE3  C  Y N 332 
TRP CZ2  C  Y N 333 
TRP CZ3  C  Y N 334 
TRP CH2  C  Y N 335 
TRP OXT  O  N N 336 
TRP H    H  N N 337 
TRP H2   H  N N 338 
TRP HA   H  N N 339 
TRP HB2  H  N N 340 
TRP HB3  H  N N 341 
TRP HD1  H  N N 342 
TRP HE1  H  N N 343 
TRP HE3  H  N N 344 
TRP HZ2  H  N N 345 
TRP HZ3  H  N N 346 
TRP HH2  H  N N 347 
TRP HXT  H  N N 348 
TYR N    N  N N 349 
TYR CA   C  N S 350 
TYR C    C  N N 351 
TYR O    O  N N 352 
TYR CB   C  N N 353 
TYR CG   C  Y N 354 
TYR CD1  C  Y N 355 
TYR CD2  C  Y N 356 
TYR CE1  C  Y N 357 
TYR CE2  C  Y N 358 
TYR CZ   C  Y N 359 
TYR OH   O  N N 360 
TYR OXT  O  N N 361 
TYR H    H  N N 362 
TYR H2   H  N N 363 
TYR HA   H  N N 364 
TYR HB2  H  N N 365 
TYR HB3  H  N N 366 
TYR HD1  H  N N 367 
TYR HD2  H  N N 368 
TYR HE1  H  N N 369 
TYR HE2  H  N N 370 
TYR HH   H  N N 371 
TYR HXT  H  N N 372 
VAL N    N  N N 373 
VAL CA   C  N S 374 
VAL C    C  N N 375 
VAL O    O  N N 376 
VAL CB   C  N N 377 
VAL CG1  C  N N 378 
VAL CG2  C  N N 379 
VAL OXT  O  N N 380 
VAL H    H  N N 381 
VAL H2   H  N N 382 
VAL HA   H  N N 383 
VAL HB   H  N N 384 
VAL HG11 H  N N 385 
VAL HG12 H  N N 386 
VAL HG13 H  N N 387 
VAL HG21 H  N N 388 
VAL HG22 H  N N 389 
VAL HG23 H  N N 390 
VAL HXT  H  N N 391 
# 
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   7DTF 
_pdbx_initial_refinement_model.details          ? 
# 
_pdbx_serial_crystallography_sample_delivery.diffrn_id     1 
_pdbx_serial_crystallography_sample_delivery.description   ? 
_pdbx_serial_crystallography_sample_delivery.method        injection 
# 
_atom_sites.entry_id                    9L9R 
_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]   0.012661 
_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]   0.012661 
_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]   0.026151 
_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  
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   ? -9.947  -3.201  8.773   1.00 24.52 ? 19  LYS A N   1 
ATOM   2    C  CA  . LYS A 1 1   ? -10.305 -2.293  9.863   1.00 25.03 ? 19  LYS A CA  1 
ATOM   3    C  C   . LYS A 1 1   ? -11.818 -2.344  10.087  1.00 23.30 ? 19  LYS A C   1 
ATOM   4    O  O   . LYS A 1 1   ? -12.591 -2.387  9.124   1.00 23.91 ? 19  LYS A O   1 
ATOM   5    C  CB  . LYS A 1 1   ? -9.862  -0.867  9.520   1.00 26.11 ? 19  LYS A CB  1 
ATOM   6    C  CG  . LYS A 1 1   ? -10.506 0.198   10.382  1.00 28.79 ? 19  LYS A CG  1 
ATOM   7    C  CD  . LYS A 1 1   ? -9.922  1.574   10.094  1.00 29.02 ? 19  LYS A CD  1 
ATOM   8    C  CE  . LYS A 1 1   ? -10.459 2.585   11.093  1.00 32.05 ? 19  LYS A CE  1 
ATOM   9    N  NZ  . LYS A 1 1   ? -9.806  3.918   10.962  1.00 36.82 ? 19  LYS A NZ  1 
ATOM   10   N  N   . VAL A 1 2   ? -12.245 -2.377  11.344  1.00 23.09 ? 20  VAL A N   1 
ATOM   11   C  CA  . VAL A 1 2   ? -13.659 -2.319  11.699  1.00 24.24 ? 20  VAL A CA  1 
ATOM   12   C  C   . VAL A 1 2   ? -13.925 -0.914  12.218  1.00 25.47 ? 20  VAL A C   1 
ATOM   13   O  O   . VAL A 1 2   ? -13.415 -0.517  13.273  1.00 26.87 ? 20  VAL A O   1 
ATOM   14   C  CB  . VAL A 1 2   ? -14.047 -3.391  12.726  1.00 24.55 ? 20  VAL A CB  1 
ATOM   15   C  CG1 . VAL A 1 2   ? -15.515 -3.266  13.091  1.00 28.88 ? 20  VAL A CG1 1 
ATOM   16   C  CG2 . VAL A 1 2   ? -13.783 -4.784  12.164  1.00 25.92 ? 20  VAL A CG2 1 
ATOM   17   N  N   . PHE A 1 3   ? -14.691 -0.140  11.461  1.00 22.77 ? 21  PHE A N   1 
ATOM   18   C  CA  . PHE A 1 3   ? -14.959 1.244   11.815  1.00 24.17 ? 21  PHE A CA  1 
ATOM   19   C  C   . PHE A 1 3   ? -16.005 1.325   12.916  1.00 25.29 ? 21  PHE A C   1 
ATOM   20   O  O   . PHE A 1 3   ? -16.918 0.498   13.010  1.00 25.95 ? 21  PHE A O   1 
ATOM   21   C  CB  . PHE A 1 3   ? -15.523 1.980   10.598  1.00 24.55 ? 21  PHE A CB  1 
ATOM   22   C  CG  . PHE A 1 3   ? -14.477 2.552   9.688   1.00 22.85 ? 21  PHE A CG  1 
ATOM   23   C  CD1 . PHE A 1 3   ? -13.864 1.757   8.724   1.00 26.68 ? 21  PHE A CD1 1 
ATOM   24   C  CD2 . PHE A 1 3   ? -14.097 3.888   9.785   1.00 26.55 ? 21  PHE A CD2 1 
ATOM   25   C  CE1 . PHE A 1 3   ? -12.899 2.287   7.879   1.00 26.60 ? 21  PHE A CE1 1 
ATOM   26   C  CE2 . PHE A 1 3   ? -13.134 4.420   8.951   1.00 27.01 ? 21  PHE A CE2 1 
ATOM   27   C  CZ  . PHE A 1 3   ? -12.529 3.623   7.989   1.00 28.34 ? 21  PHE A CZ  1 
ATOM   28   N  N   . GLY A 1 4   ? -15.881 2.363   13.742  1.00 27.37 ? 22  GLY A N   1 
ATOM   29   C  CA  . GLY A 1 4   ? -17.010 2.787   14.531  1.00 26.80 ? 22  GLY A CA  1 
ATOM   30   C  C   . GLY A 1 4   ? -17.997 3.566   13.681  1.00 24.91 ? 22  GLY A C   1 
ATOM   31   O  O   . GLY A 1 4   ? -17.648 4.105   12.633  1.00 24.59 ? 22  GLY A O   1 
ATOM   32   N  N   . ARG A 1 5   ? -19.238 3.617   14.165  1.00 26.66 ? 23  ARG A N   1 
ATOM   33   C  CA  . ARG A 1 5   ? -20.324 4.262   13.431  1.00 25.63 ? 23  ARG A CA  1 
ATOM   34   C  C   . ARG A 1 5   ? -20.002 5.724   13.123  1.00 26.20 ? 23  ARG A C   1 
ATOM   35   O  O   . ARG A 1 5   ? -20.026 6.151   11.960  1.00 24.99 ? 23  ARG A O   1 
ATOM   36   C  CB  . ARG A 1 5   ? -21.606 4.123   14.255  1.00 30.07 ? 23  ARG A CB  1 
ATOM   37   C  CG  . ARG A 1 5   ? -22.819 4.814   13.702  1.00 27.80 ? 23  ARG A CG  1 
ATOM   38   C  CD  . ARG A 1 5   ? -24.034 4.555   14.591  1.00 31.01 ? 23  ARG A CD  1 
ATOM   39   N  NE  . ARG A 1 5   ? -23.949 5.196   15.897  1.00 35.23 ? 23  ARG A NE  1 
ATOM   40   C  CZ  . ARG A 1 5   ? -24.340 6.439   16.148  1.00 35.73 ? 23  ARG A CZ  1 
ATOM   41   N  NH1 . ARG A 1 5   ? -24.785 7.231   15.188  1.00 32.24 ? 23  ARG A NH1 1 
ATOM   42   N  NH2 . ARG A 1 5   ? -24.274 6.901   17.393  1.00 38.86 ? 23  ARG A NH2 1 
ATOM   43   N  N   . CYS A 1 6   ? -19.670 6.508   14.152  1.00 26.77 ? 24  CYS A N   1 
ATOM   44   C  CA  . CYS A 1 6   ? -19.386 7.921   13.921  1.00 27.65 ? 24  CYS A CA  1 
ATOM   45   C  C   . CYS A 1 6   ? -18.055 8.128   13.211  1.00 25.36 ? 24  CYS A C   1 
ATOM   46   O  O   . CYS A 1 6   ? -17.900 9.089   12.448  1.00 25.85 ? 24  CYS A O   1 
ATOM   47   C  CB  . CYS A 1 6   ? -19.441 8.699   15.241  1.00 28.22 ? 24  CYS A CB  1 
ATOM   48   S  SG  . CYS A 1 6   ? -21.083 8.727   16.003  1.00 30.42 ? 24  CYS A SG  1 
ATOM   49   N  N   . GLU A 1 7   ? -17.081 7.249   13.450  1.00 25.45 ? 25  GLU A N   1 
ATOM   50   C  CA  . GLU A 1 7   ? -15.829 7.336   12.718  1.00 25.19 ? 25  GLU A CA  1 
ATOM   51   C  C   . GLU A 1 7   ? -16.065 7.180   11.222  1.00 22.58 ? 25  GLU A C   1 
ATOM   52   O  O   . GLU A 1 7   ? -15.517 7.939   10.415  1.00 24.79 ? 25  GLU A O   1 
ATOM   53   C  CB  . GLU A 1 7   ? -14.883 6.242   13.207  1.00 26.04 ? 25  GLU A CB  1 
ATOM   54   C  CG  . GLU A 1 7   ? -13.512 6.266   12.563  1.00 29.09 ? 25  GLU A CG  1 
ATOM   55   C  CD  . GLU A 1 7   ? -12.665 5.066   12.964  1.00 32.51 ? 25  GLU A CD  1 
ATOM   56   O  OE1 . GLU A 1 7   ? -13.224 4.082   13.503  1.00 29.99 ? 25  GLU A OE1 1 
ATOM   57   O  OE2 . GLU A 1 7   ? -11.439 5.112   12.734  1.00 35.17 ? 25  GLU A OE2 1 
ATOM   58   N  N   . LEU A 1 8   ? -16.888 6.202   10.830  1.00 23.51 ? 26  LEU A N   1 
ATOM   59   C  CA  . LEU A 1 8   ? -17.154 6.006   9.411   1.00 24.31 ? 26  LEU A CA  1 
ATOM   60   C  C   . LEU A 1 8   ? -17.952 7.167   8.837   1.00 22.90 ? 26  LEU A C   1 
ATOM   61   O  O   . LEU A 1 8   ? -17.694 7.609   7.712   1.00 24.33 ? 26  LEU A O   1 
ATOM   62   C  CB  . LEU A 1 8   ? -17.904 4.690   9.215   1.00 22.85 ? 26  LEU A CB  1 
ATOM   63   C  CG  . LEU A 1 8   ? -18.243 4.366   7.758   1.00 25.16 ? 26  LEU A CG  1 
ATOM   64   C  CD1 . LEU A 1 8   ? -16.974 4.188   6.959   1.00 25.09 ? 26  LEU A CD1 1 
ATOM   65   C  CD2 . LEU A 1 8   ? -19.136 3.132   7.663   1.00 27.81 ? 26  LEU A CD2 1 
ATOM   66   N  N   . ALA A 1 9   ? -18.929 7.672   9.591   1.00 23.43 ? 27  ALA A N   1 
ATOM   67   C  CA  . ALA A 1 9   ? -19.698 8.814   9.112   1.00 23.13 ? 27  ALA A CA  1 
ATOM   68   C  C   . ALA A 1 9   ? -18.787 9.994   8.803   1.00 22.65 ? 27  ALA A C   1 
ATOM   69   O  O   . ALA A 1 9   ? -18.928 10.637  7.759   1.00 24.37 ? 27  ALA A O   1 
ATOM   70   C  CB  . ALA A 1 9   ? -20.756 9.207   10.145  1.00 26.11 ? 27  ALA A CB  1 
ATOM   71   N  N   . ALA A 1 10  ? -17.836 10.287  9.693   1.00 23.31 ? 28  ALA A N   1 
ATOM   72   C  CA  . ALA A 1 10  ? -16.924 11.395  9.436   1.00 25.30 ? 28  ALA A CA  1 
ATOM   73   C  C   . ALA A 1 10  ? -16.051 11.136  8.211   1.00 24.58 ? 28  ALA A C   1 
ATOM   74   O  O   . ALA A 1 10  ? -15.799 12.046  7.410   1.00 25.27 ? 28  ALA A O   1 
ATOM   75   C  CB  . ALA A 1 10  ? -16.064 11.654  10.673  1.00 28.55 ? 28  ALA A CB  1 
ATOM   76   N  N   . ALA A 1 11  ? -15.571 9.901   8.052   1.00 24.79 ? 29  ALA A N   1 
ATOM   77   C  CA  . ALA A 1 11  ? -14.758 9.565   6.890   1.00 24.22 ? 29  ALA A CA  1 
ATOM   78   C  C   . ALA A 1 11  ? -15.547 9.705   5.593   1.00 24.44 ? 29  ALA A C   1 
ATOM   79   O  O   . ALA A 1 11  ? -15.024 10.212  4.588   1.00 26.41 ? 29  ALA A O   1 
ATOM   80   C  CB  . ALA A 1 11  ? -14.203 8.150   7.048   1.00 26.23 ? 29  ALA A CB  1 
ATOM   81   N  N   . MET A 1 12  ? -16.802 9.252   5.588   1.00 24.33 ? 30  MET A N   1 
ATOM   82   C  CA  . MET A 1 12  ? -17.598 9.378   4.371   1.00 24.39 ? 30  MET A CA  1 
ATOM   83   C  C   . MET A 1 12  ? -17.932 10.831  4.071   1.00 25.96 ? 30  MET A C   1 
ATOM   84   O  O   . MET A 1 12  ? -17.951 11.234  2.903   1.00 26.10 ? 30  MET A O   1 
ATOM   85   C  CB  . MET A 1 12  ? -18.870 8.532   4.430   1.00 24.25 ? 30  MET A CB  1 
ATOM   86   C  CG  . MET A 1 12  ? -18.638 7.048   4.513   1.00 24.48 ? 30  MET A CG  1 
ATOM   87   S  SD  . MET A 1 12  ? -20.169 6.164   4.811   1.00 23.53 ? 30  MET A SD  1 
ATOM   88   C  CE  . MET A 1 12  ? -19.942 4.725   3.788   1.00 23.47 ? 30  MET A CE  1 
ATOM   89   N  N   . LYS A 1 13  ? -18.177 11.637  5.109   1.00 26.51 ? 31  LYS A N   1 
ATOM   90   C  CA  . LYS A 1 13  ? -18.456 13.056  4.891   1.00 29.35 ? 31  LYS A CA  1 
ATOM   91   C  C   . LYS A 1 13  ? -17.251 13.763  4.287   1.00 28.49 ? 31  LYS A C   1 
ATOM   92   O  O   . LYS A 1 13  ? -17.391 14.563  3.356   1.00 30.75 ? 31  LYS A O   1 
ATOM   93   C  CB  . LYS A 1 13  ? -18.876 13.716  6.206   1.00 28.65 ? 31  LYS A CB  1 
ATOM   94   C  CG  . LYS A 1 13  ? -19.623 15.035  6.032   1.00 35.30 ? 31  LYS A CG  1 
ATOM   95   C  CD  . LYS A 1 13  ? -19.746 15.777  7.349   1.00 40.72 ? 31  LYS A CD  1 
ATOM   96   C  CE  . LYS A 1 13  ? -20.088 17.249  7.144   1.00 46.49 ? 31  LYS A CE  1 
ATOM   97   N  NZ  . LYS A 1 13  ? -19.899 17.703  5.737   1.00 48.63 ? 31  LYS A NZ  1 
ATOM   98   N  N   . ARG A 1 14  ? -16.054 13.472  4.805   1.00 24.61 ? 32  ARG A N   1 
ATOM   99   C  CA  . ARG A 1 14  ? -14.851 14.095  4.270   1.00 28.18 ? 32  ARG A CA  1 
ATOM   100  C  C   . ARG A 1 14  ? -14.634 13.728  2.811   1.00 31.35 ? 32  ARG A C   1 
ATOM   101  O  O   . ARG A 1 14  ? -14.099 14.532  2.043   1.00 33.63 ? 32  ARG A O   1 
ATOM   102  C  CB  . ARG A 1 14  ? -13.639 13.698  5.117   1.00 30.62 ? 32  ARG A CB  1 
ATOM   103  C  CG  . ARG A 1 14  ? -12.307 14.139  4.523   1.00 38.72 ? 32  ARG A CG  1 
ATOM   104  C  CD  . ARG A 1 14  ? -11.180 13.959  5.518   1.00 40.75 ? 32  ARG A CD  1 
ATOM   105  N  NE  . ARG A 1 14  ? -10.683 12.588  5.536   1.00 41.17 ? 32  ARG A NE  1 
ATOM   106  C  CZ  . ARG A 1 14  ? -9.694  12.143  4.773   1.00 37.80 ? 32  ARG A CZ  1 
ATOM   107  N  NH1 . ARG A 1 14  ? -9.094  12.929  3.893   1.00 42.08 ? 32  ARG A NH1 1 
ATOM   108  N  NH2 . ARG A 1 14  ? -9.296  10.880  4.897   1.00 42.98 ? 32  ARG A NH2 1 
ATOM   109  N  N   . HIS A 1 15  ? -15.052 12.529  2.405   1.00 29.99 ? 33  HIS A N   1 
ATOM   110  C  CA  . HIS A 1 15  ? -14.901 12.071  1.032   1.00 29.08 ? 33  HIS A CA  1 
ATOM   111  C  C   . HIS A 1 15  ? -16.079 12.445  0.142   1.00 30.19 ? 33  HIS A C   1 
ATOM   112  O  O   . HIS A 1 15  ? -16.162 11.946  -0.984  1.00 31.03 ? 33  HIS A O   1 
ATOM   113  C  CB  . HIS A 1 15  ? -14.664 10.557  1.004   1.00 28.24 ? 33  HIS A CB  1 
ATOM   114  C  CG  . HIS A 1 15  ? -13.252 10.171  1.315   1.00 30.97 ? 33  HIS A CG  1 
ATOM   115  N  ND1 . HIS A 1 15  ? -12.873 9.641   2.530   1.00 32.58 ? 33  HIS A ND1 1 
ATOM   116  C  CD2 . HIS A 1 15  ? -12.122 10.263  0.575   1.00 34.56 ? 33  HIS A CD2 1 
ATOM   117  C  CE1 . HIS A 1 15  ? -11.571 9.416   2.522   1.00 33.85 ? 33  HIS A CE1 1 
ATOM   118  N  NE2 . HIS A 1 15  ? -11.093 9.783   1.347   1.00 35.22 ? 33  HIS A NE2 1 
ATOM   119  N  N   . GLY A 1 16  ? -16.984 13.297  0.619   1.00 26.35 ? 34  GLY A N   1 
ATOM   120  C  CA  . GLY A 1 16  ? -17.996 13.897  -0.234  1.00 26.38 ? 34  GLY A CA  1 
ATOM   121  C  C   . GLY A 1 16  ? -19.247 13.078  -0.462  1.00 28.83 ? 34  GLY A C   1 
ATOM   122  O  O   . GLY A 1 16  ? -19.961 13.330  -1.440  1.00 29.93 ? 34  GLY A O   1 
ATOM   123  N  N   . LEU A 1 17  ? -19.554 12.119  0.411   1.00 28.44 ? 35  LEU A N   1 
ATOM   124  C  CA  . LEU A 1 17  ? -20.746 11.303  0.210   1.00 26.50 ? 35  LEU A CA  1 
ATOM   125  C  C   . LEU A 1 17  ? -22.024 11.938  0.747   1.00 28.08 ? 35  LEU A C   1 
ATOM   126  O  O   . LEU A 1 17  ? -23.117 11.515  0.352   1.00 26.89 ? 35  LEU A O   1 
ATOM   127  C  CB  . LEU A 1 17  ? -20.553 9.930   0.854   1.00 26.20 ? 35  LEU A CB  1 
ATOM   128  C  CG  . LEU A 1 17  ? -19.780 8.901   0.036   1.00 26.43 ? 35  LEU A CG  1 
ATOM   129  C  CD1 . LEU A 1 17  ? -19.820 7.569   0.753   1.00 26.53 ? 35  LEU A CD1 1 
ATOM   130  C  CD2 . LEU A 1 17  ? -20.323 8.733   -1.377  1.00 26.74 ? 35  LEU A CD2 1 
ATOM   131  N  N   . ASP A 1 18  ? -21.938 12.921  1.643   1.00 28.59 ? 36  ASP A N   1 
ATOM   132  C  CA  . ASP A 1 18  ? -23.145 13.460  2.257   1.00 26.72 ? 36  ASP A CA  1 
ATOM   133  C  C   . ASP A 1 18  ? -23.923 14.227  1.198   1.00 31.94 ? 36  ASP A C   1 
ATOM   134  O  O   . ASP A 1 18  ? -23.419 15.207  0.633   1.00 30.33 ? 36  ASP A O   1 
ATOM   135  C  CB  . ASP A 1 18  ? -22.794 14.386  3.421   1.00 31.44 ? 36  ASP A CB  1 
ATOM   136  C  CG  . ASP A 1 18  ? -24.022 14.826  4.237   1.00 35.29 ? 36  ASP A CG  1 
ATOM   137  O  OD1 . ASP A 1 18  ? -25.157 14.315  4.034   1.00 31.39 ? 36  ASP A OD1 1 
ATOM   138  O  OD2 . ASP A 1 18  ? -23.850 15.727  5.091   1.00 41.33 ? 36  ASP A OD2 1 
ATOM   139  N  N   . ASN A 1 19  ? -25.140 13.762  0.921   1.00 27.94 ? 37  ASN A N   1 
ATOM   140  C  CA  . ASN A 1 19  ? -26.018 14.285  -0.120  1.00 26.13 ? 37  ASN A CA  1 
ATOM   141  C  C   . ASN A 1 19  ? -25.515 14.017  -1.529  1.00 26.20 ? 37  ASN A C   1 
ATOM   142  O  O   . ASN A 1 19  ? -25.971 14.665  -2.475  1.00 29.74 ? 37  ASN A O   1 
ATOM   143  C  CB  . ASN A 1 19  ? -26.346 15.771  0.068   1.00 30.53 ? 37  ASN A CB  1 
ATOM   144  C  CG  . ASN A 1 19  ? -26.998 16.048  1.394   1.00 35.19 ? 37  ASN A CG  1 
ATOM   145  O  OD1 . ASN A 1 19  ? -27.944 15.361  1.782   1.00 41.60 ? 37  ASN A OD1 1 
ATOM   146  N  ND2 . ASN A 1 19  ? -26.497 17.056  2.107   1.00 42.01 ? 37  ASN A ND2 1 
ATOM   147  N  N   . TYR A 1 20  ? -24.583 13.083  -1.705  1.00 26.55 ? 38  TYR A N   1 
ATOM   148  C  CA  . TYR A 1 20  ? -24.147 12.733  -3.048  1.00 23.08 ? 38  TYR A CA  1 
ATOM   149  C  C   . TYR A 1 20  ? -25.300 12.090  -3.813  1.00 25.79 ? 38  TYR A C   1 
ATOM   150  O  O   . TYR A 1 20  ? -25.907 11.118  -3.350  1.00 26.08 ? 38  TYR A O   1 
ATOM   151  C  CB  . TYR A 1 20  ? -22.929 11.809  -3.008  1.00 24.96 ? 38  TYR A CB  1 
ATOM   152  C  CG  . TYR A 1 20  ? -22.288 11.666  -4.364  1.00 26.02 ? 38  TYR A CG  1 
ATOM   153  C  CD1 . TYR A 1 20  ? -21.335 12.580  -4.808  1.00 26.81 ? 38  TYR A CD1 1 
ATOM   154  C  CD2 . TYR A 1 20  ? -22.640 10.624  -5.210  1.00 28.41 ? 38  TYR A CD2 1 
ATOM   155  C  CE1 . TYR A 1 20  ? -20.756 12.455  -6.059  1.00 29.31 ? 38  TYR A CE1 1 
ATOM   156  C  CE2 . TYR A 1 20  ? -22.066 10.489  -6.452  1.00 28.69 ? 38  TYR A CE2 1 
ATOM   157  C  CZ  . TYR A 1 20  ? -21.133 11.407  -6.879  1.00 29.37 ? 38  TYR A CZ  1 
ATOM   158  O  OH  . TYR A 1 20  ? -20.577 11.260  -8.128  1.00 34.11 ? 38  TYR A OH  1 
ATOM   159  N  N   . ARG A 1 21  ? -25.619 12.660  -4.972  1.00 26.29 ? 39  ARG A N   1 
ATOM   160  C  CA  . ARG A 1 21  ? -26.793 12.269  -5.759  1.00 28.91 ? 39  ARG A CA  1 
ATOM   161  C  C   . ARG A 1 21  ? -28.069 12.284  -4.924  1.00 24.96 ? 39  ARG A C   1 
ATOM   162  O  O   . ARG A 1 21  ? -28.996 11.508  -5.163  1.00 27.76 ? 39  ARG A O   1 
ATOM   163  C  CB  . ARG A 1 21  ? -26.604 10.927  -6.476  1.00 30.64 ? 39  ARG A CB  1 
ATOM   164  C  CG  . ARG A 1 21  ? -25.593 10.956  -7.601  1.00 35.23 ? 39  ARG A CG  1 
ATOM   165  C  CD  . ARG A 1 21  ? -25.947 12.041  -8.596  1.00 43.58 ? 39  ARG A CD  1 
ATOM   166  N  NE  . ARG A 1 21  ? -25.873 11.566  -9.971  1.00 47.80 ? 39  ARG A NE  1 
ATOM   167  C  CZ  . ARG A 1 21  ? -24.836 11.779  -10.769 1.00 47.03 ? 39  ARG A CZ  1 
ATOM   168  N  NH1 . ARG A 1 21  ? -23.749 12.402  -10.338 1.00 45.66 ? 39  ARG A NH1 1 
ATOM   169  N  NH2 . ARG A 1 21  ? -24.884 11.344  -12.026 1.00 49.46 ? 39  ARG A NH2 1 
ATOM   170  N  N   . GLY A 1 22  ? -28.124 13.155  -3.925  1.00 24.09 ? 40  GLY A N   1 
ATOM   171  C  CA  . GLY A 1 22  ? -29.312 13.291  -3.112  1.00 24.99 ? 40  GLY A CA  1 
ATOM   172  C  C   . GLY A 1 22  ? -29.447 12.331  -1.951  1.00 22.04 ? 40  GLY A C   1 
ATOM   173  O  O   . GLY A 1 22  ? -30.481 12.354  -1.274  1.00 25.74 ? 40  GLY A O   1 
ATOM   174  N  N   . TYR A 1 23  ? -28.431 11.514  -1.677  1.00 23.42 ? 41  TYR A N   1 
ATOM   175  C  CA  . TYR A 1 23  ? -28.478 10.534  -0.596  1.00 22.63 ? 41  TYR A CA  1 
ATOM   176  C  C   . TYR A 1 23  ? -27.756 11.095  0.624   1.00 21.34 ? 41  TYR A C   1 
ATOM   177  O  O   . TYR A 1 23  ? -26.529 11.246  0.617   1.00 23.62 ? 41  TYR A O   1 
ATOM   178  C  CB  . TYR A 1 23  ? -27.866 9.208   -1.041  1.00 20.22 ? 41  TYR A CB  1 
ATOM   179  C  CG  . TYR A 1 23  ? -28.733 8.479   -2.039  1.00 18.96 ? 41  TYR A CG  1 
ATOM   180  C  CD1 . TYR A 1 23  ? -29.777 7.670   -1.614  1.00 19.25 ? 41  TYR A CD1 1 
ATOM   181  C  CD2 . TYR A 1 23  ? -28.526 8.638   -3.404  1.00 20.09 ? 41  TYR A CD2 1 
ATOM   182  C  CE1 . TYR A 1 23  ? -30.587 7.004   -2.525  1.00 18.37 ? 41  TYR A CE1 1 
ATOM   183  C  CE2 . TYR A 1 23  ? -29.332 7.989   -4.321  1.00 19.11 ? 41  TYR A CE2 1 
ATOM   184  C  CZ  . TYR A 1 23  ? -30.354 7.167   -3.877  1.00 18.47 ? 41  TYR A CZ  1 
ATOM   185  O  OH  . TYR A 1 23  ? -31.148 6.518   -4.803  1.00 21.78 ? 41  TYR A OH  1 
ATOM   186  N  N   . SER A 1 24  ? -28.527 11.366  1.672   1.00 21.75 ? 42  SER A N   1 
ATOM   187  C  CA  . SER A 1 24  ? -27.983 11.892  2.913   1.00 22.81 ? 42  SER A CA  1 
ATOM   188  C  C   . SER A 1 24  ? -27.039 10.885  3.571   1.00 23.10 ? 42  SER A C   1 
ATOM   189  O  O   . SER A 1 24  ? -27.095 9.668   3.329   1.00 22.11 ? 42  SER A O   1 
ATOM   190  C  CB  . SER A 1 24  ? -29.118 12.280  3.860   1.00 25.75 ? 42  SER A CB  1 
ATOM   191  O  OG  . SER A 1 24  ? -29.786 11.137  4.371   1.00 28.40 ? 42  SER A OG  1 
ATOM   192  N  N   . LEU A 1 25  ? -26.156 11.421  4.417   1.00 22.61 ? 43  LEU A N   1 
ATOM   193  C  CA  . LEU A 1 25  ? -25.085 10.622  5.003   1.00 22.70 ? 43  LEU A CA  1 
ATOM   194  C  C   . LEU A 1 25  ? -25.593 9.356   5.680   1.00 21.35 ? 43  LEU A C   1 
ATOM   195  O  O   . LEU A 1 25  ? -24.953 8.295   5.588   1.00 19.44 ? 43  LEU A O   1 
ATOM   196  C  CB  . LEU A 1 25  ? -24.283 11.486  5.971   1.00 23.79 ? 43  LEU A CB  1 
ATOM   197  C  CG  . LEU A 1 25  ? -22.933 10.929  6.402   1.00 23.00 ? 43  LEU A CG  1 
ATOM   198  C  CD1 . LEU A 1 25  ? -22.031 10.690  5.217   1.00 26.05 ? 43  LEU A CD1 1 
ATOM   199  C  CD2 . LEU A 1 25  ? -22.285 11.966  7.333   1.00 25.20 ? 43  LEU A CD2 1 
ATOM   200  N  N   . GLY A 1 26  ? -26.724 9.441   6.386   1.00 19.97 ? 44  GLY A N   1 
ATOM   201  C  CA  . GLY A 1 26  ? -27.252 8.275   7.076   1.00 19.72 ? 44  GLY A CA  1 
ATOM   202  C  C   . GLY A 1 26  ? -27.524 7.093   6.165   1.00 19.95 ? 44  GLY A C   1 
ATOM   203  O  O   . GLY A 1 26  ? -27.413 5.944   6.593   1.00 21.02 ? 44  GLY A O   1 
ATOM   204  N  N   . ASN A 1 27  ? -27.897 7.350   4.907   1.00 18.39 ? 45  ASN A N   1 
ATOM   205  C  CA  . ASN A 1 27  ? -28.109 6.248   3.965   1.00 19.93 ? 45  ASN A CA  1 
ATOM   206  C  C   . ASN A 1 27  ? -26.834 5.453   3.754   1.00 19.54 ? 45  ASN A C   1 
ATOM   207  O  O   . ASN A 1 27  ? -26.871 4.222   3.705   1.00 18.45 ? 45  ASN A O   1 
ATOM   208  C  CB  . ASN A 1 27  ? -28.585 6.781   2.616   1.00 18.96 ? 45  ASN A CB  1 
ATOM   209  C  CG  . ASN A 1 27  ? -30.019 7.208   2.647   1.00 19.90 ? 45  ASN A CG  1 
ATOM   210  O  OD1 . ASN A 1 27  ? -30.907 6.373   2.637   1.00 21.74 ? 45  ASN A OD1 1 
ATOM   211  N  ND2 . ASN A 1 27  ? -30.256 8.531   2.698   1.00 22.24 ? 45  ASN A ND2 1 
ATOM   212  N  N   . TRP A 1 28  ? -25.700 6.144   3.624   1.00 19.28 ? 46  TRP A N   1 
ATOM   213  C  CA  . TRP A 1 28  ? -24.434 5.466   3.364   1.00 17.00 ? 46  TRP A CA  1 
ATOM   214  C  C   . TRP A 1 28  ? -23.958 4.696   4.586   1.00 18.48 ? 46  TRP A C   1 
ATOM   215  O  O   . TRP A 1 28  ? -23.441 3.584   4.453   1.00 19.04 ? 46  TRP A O   1 
ATOM   216  C  CB  . TRP A 1 28  ? -23.386 6.489   2.909   1.00 19.54 ? 46  TRP A CB  1 
ATOM   217  C  CG  . TRP A 1 28  ? -23.761 7.169   1.626   1.00 19.46 ? 46  TRP A CG  1 
ATOM   218  C  CD1 . TRP A 1 28  ? -24.313 8.412   1.484   1.00 22.12 ? 46  TRP A CD1 1 
ATOM   219  C  CD2 . TRP A 1 28  ? -23.620 6.634   0.304   1.00 21.52 ? 46  TRP A CD2 1 
ATOM   220  N  NE1 . TRP A 1 28  ? -24.516 8.686   0.147   1.00 20.94 ? 46  TRP A NE1 1 
ATOM   221  C  CE2 . TRP A 1 28  ? -24.090 7.614   -0.597  1.00 20.55 ? 46  TRP A CE2 1 
ATOM   222  C  CE3 . TRP A 1 28  ? -23.118 5.428   -0.207  1.00 21.33 ? 46  TRP A CE3 1 
ATOM   223  C  CZ2 . TRP A 1 28  ? -24.081 7.420   -1.976  1.00 22.75 ? 46  TRP A CZ2 1 
ATOM   224  C  CZ3 . TRP A 1 28  ? -23.119 5.243   -1.579  1.00 23.13 ? 46  TRP A CZ3 1 
ATOM   225  C  CH2 . TRP A 1 28  ? -23.602 6.225   -2.440  1.00 24.09 ? 46  TRP A CH2 1 
ATOM   226  N  N   . VAL A 1 29  ? -24.146 5.247   5.782   1.00 18.87 ? 47  VAL A N   1 
ATOM   227  C  CA  . VAL A 1 29  ? -23.741 4.549   6.999   1.00 17.90 ? 47  VAL A CA  1 
ATOM   228  C  C   . VAL A 1 29  ? -24.611 3.318   7.225   1.00 18.87 ? 47  VAL A C   1 
ATOM   229  O  O   . VAL A 1 29  ? -24.114 2.239   7.568   1.00 19.41 ? 47  VAL A O   1 
ATOM   230  C  CB  . VAL A 1 29  ? -23.781 5.535   8.185   1.00 18.80 ? 47  VAL A CB  1 
ATOM   231  C  CG1 . VAL A 1 29  ? -23.521 4.820   9.507   1.00 21.20 ? 47  VAL A CG1 1 
ATOM   232  C  CG2 . VAL A 1 29  ? -22.792 6.676   7.964   1.00 20.52 ? 47  VAL A CG2 1 
ATOM   233  N  N   . CYS A 1 30  ? -25.920 3.458   7.027   1.00 17.73 ? 48  CYS A N   1 
ATOM   234  C  CA  . CYS A 1 30  ? -26.832 2.323   7.124   1.00 17.68 ? 48  CYS A CA  1 
ATOM   235  C  C   . CYS A 1 30  ? -26.457 1.224   6.130   1.00 17.94 ? 48  CYS A C   1 
ATOM   236  O  O   . CYS A 1 30  ? -26.433 0.037   6.481   1.00 18.38 ? 48  CYS A O   1 
ATOM   237  C  CB  . CYS A 1 30  ? -28.267 2.812   6.896   1.00 19.41 ? 48  CYS A CB  1 
ATOM   238  S  SG  . CYS A 1 30  ? -29.519 1.564   7.112   1.00 19.35 ? 48  CYS A SG  1 
ATOM   239  N  N   . ALA A 1 31  ? -26.164 1.605   4.882   1.00 17.47 ? 49  ALA A N   1 
ATOM   240  C  CA  . ALA A 1 31  ? -25.773 0.607   3.886   1.00 18.75 ? 49  ALA A CA  1 
ATOM   241  C  C   . ALA A 1 31  ? -24.512 -0.132  4.311   1.00 20.37 ? 49  ALA A C   1 
ATOM   242  O  O   . ALA A 1 31  ? -24.449 -1.360  4.224   1.00 20.20 ? 49  ALA A O   1 
ATOM   243  C  CB  . ALA A 1 31  ? -25.585 1.261   2.522   1.00 18.98 ? 49  ALA A CB  1 
ATOM   244  N  N   . ALA A 1 32  ? -23.510 0.594   4.808   1.00 18.50 ? 50  ALA A N   1 
ATOM   245  C  CA  . ALA A 1 32  ? -22.275 -0.063  5.215   1.00 17.75 ? 50  ALA A CA  1 
ATOM   246  C  C   . ALA A 1 32  ? -22.503 -0.986  6.403   1.00 18.35 ? 50  ALA A C   1 
ATOM   247  O  O   . ALA A 1 32  ? -21.893 -2.060  6.484   1.00 19.11 ? 50  ALA A O   1 
ATOM   248  C  CB  . ALA A 1 32  ? -21.211 0.986   5.529   1.00 16.88 ? 50  ALA A CB  1 
ATOM   249  N  N   . LYS A 1 33  ? -23.373 -0.598  7.339   1.00 18.00 ? 51  LYS A N   1 
ATOM   250  C  CA  . LYS A 1 33  ? -23.638 -1.450  8.495   1.00 18.60 ? 51  LYS A CA  1 
ATOM   251  C  C   . LYS A 1 33  ? -24.196 -2.801  8.070   1.00 20.21 ? 51  LYS A C   1 
ATOM   252  O  O   . LYS A 1 33  ? -23.732 -3.855  8.522   1.00 21.02 ? 51  LYS A O   1 
ATOM   253  C  CB  . LYS A 1 33  ? -24.621 -0.750  9.434   1.00 21.13 ? 51  LYS A CB  1 
ATOM   254  C  CG  . LYS A 1 33  ? -25.206 -1.633  10.537  1.00 24.64 ? 51  LYS A CG  1 
ATOM   255  C  CD  . LYS A 1 33  ? -24.214 -1.910  11.647  1.00 28.12 ? 51  LYS A CD  1 
ATOM   256  C  CE  . LYS A 1 33  ? -24.788 -2.940  12.619  1.00 34.09 ? 51  LYS A CE  1 
ATOM   257  N  NZ  . LYS A 1 33  ? -23.768 -3.446  13.580  1.00 41.71 ? 51  LYS A NZ  1 
ATOM   258  N  N   . PHE A 1 34  ? -25.180 -2.798  7.183   1.00 19.04 ? 52  PHE A N   1 
ATOM   259  C  CA  . PHE A 1 34  ? -25.812 -4.054  6.840   1.00 18.93 ? 52  PHE A CA  1 
ATOM   260  C  C   . PHE A 1 34  ? -25.084 -4.794  5.733   1.00 22.12 ? 52  PHE A C   1 
ATOM   261  O  O   . PHE A 1 34  ? -25.202 -6.020  5.659   1.00 24.29 ? 52  PHE A O   1 
ATOM   262  C  CB  . PHE A 1 34  ? -27.291 -3.807  6.536   1.00 20.14 ? 52  PHE A CB  1 
ATOM   263  C  CG  . PHE A 1 34  ? -28.073 -3.375  7.739   1.00 20.73 ? 52  PHE A CG  1 
ATOM   264  C  CD1 . PHE A 1 34  ? -28.029 -4.109  8.912   1.00 22.30 ? 52  PHE A CD1 1 
ATOM   265  C  CD2 . PHE A 1 34  ? -28.761 -2.171  7.726   1.00 22.77 ? 52  PHE A CD2 1 
ATOM   266  C  CE1 . PHE A 1 34  ? -28.744 -3.696  10.037  1.00 22.73 ? 52  PHE A CE1 1 
ATOM   267  C  CE2 . PHE A 1 34  ? -29.471 -1.749  8.844   1.00 26.57 ? 52  PHE A CE2 1 
ATOM   268  C  CZ  . PHE A 1 34  ? -29.462 -2.511  9.996   1.00 24.02 ? 52  PHE A CZ  1 
ATOM   269  N  N   . GLU A 1 35  ? -24.279 -4.104  4.927   1.00 17.78 ? 53  GLU A N   1 
ATOM   270  C  CA  . GLU A 1 35  ? -23.506 -4.828  3.913   1.00 18.56 ? 53  GLU A CA  1 
ATOM   271  C  C   . GLU A 1 35  ? -22.287 -5.519  4.517   1.00 20.50 ? 53  GLU A C   1 
ATOM   272  O  O   . GLU A 1 35  ? -21.974 -6.648  4.142   1.00 20.33 ? 53  GLU A O   1 
ATOM   273  C  CB  . GLU A 1 35  ? -23.036 -3.883  2.809   1.00 18.86 ? 53  GLU A CB  1 
ATOM   274  C  CG  . GLU A 1 35  ? -24.153 -3.387  1.911   1.00 19.16 ? 53  GLU A CG  1 
ATOM   275  C  CD  . GLU A 1 35  ? -24.683 -4.447  0.963   1.00 23.47 ? 53  GLU A CD  1 
ATOM   276  O  OE1 . GLU A 1 35  ? -24.104 -5.554  0.874   1.00 23.86 ? 53  GLU A OE1 1 
ATOM   277  O  OE2 . GLU A 1 35  ? -25.735 -4.184  0.344   1.00 23.29 ? 53  GLU A OE2 1 
ATOM   278  N  N   . SER A 1 36  ? -21.572 -4.862  5.440   1.00 19.46 ? 54  SER A N   1 
ATOM   279  C  CA  . SER A 1 36  ? -20.273 -5.362  5.882   1.00 19.01 ? 54  SER A CA  1 
ATOM   280  C  C   . SER A 1 36  ? -20.061 -5.326  7.386   1.00 21.71 ? 54  SER A C   1 
ATOM   281  O  O   . SER A 1 36  ? -18.957 -5.670  7.836   1.00 22.10 ? 54  SER A O   1 
ATOM   282  C  CB  . SER A 1 36  ? -19.153 -4.518  5.271   1.00 19.33 ? 54  SER A CB  1 
ATOM   283  O  OG  . SER A 1 36  ? -19.217 -3.195  5.793   1.00 19.11 ? 54  SER A OG  1 
ATOM   284  N  N   . ASN A 1 37  ? -21.047 -4.881  8.171   1.00 21.39 ? 55  ASN A N   1 
ATOM   285  C  CA  . ASN A 1 37  ? -20.867 -4.661  9.609   1.00 23.71 ? 55  ASN A CA  1 
ATOM   286  C  C   . ASN A 1 37  ? -19.692 -3.723  9.879   1.00 22.39 ? 55  ASN A C   1 
ATOM   287  O  O   . ASN A 1 37  ? -18.978 -3.868  10.877  1.00 23.39 ? 55  ASN A O   1 
ATOM   288  C  CB  . ASN A 1 37  ? -20.726 -5.975  10.385  1.00 27.23 ? 55  ASN A CB  1 
ATOM   289  C  CG  . ASN A 1 37  ? -21.092 -5.833  11.843  1.00 34.90 ? 55  ASN A CG  1 
ATOM   290  O  OD1 . ASN A 1 37  ? -21.804 -4.906  12.232  1.00 33.90 ? 55  ASN A OD1 1 
ATOM   291  N  ND2 . ASN A 1 37  ? -20.581 -6.741  12.668  1.00 40.53 ? 55  ASN A ND2 1 
ATOM   292  N  N   . PHE A 1 38  ? -19.471 -2.773  8.971   1.00 19.89 ? 56  PHE A N   1 
ATOM   293  C  CA  . PHE A 1 38  ? -18.438 -1.746  9.083   1.00 18.51 ? 56  PHE A CA  1 
ATOM   294  C  C   . PHE A 1 38  ? -17.019 -2.293  8.937   1.00 20.69 ? 56  PHE A C   1 
ATOM   295  O  O   . PHE A 1 38  ? -16.066 -1.629  9.345   1.00 21.87 ? 56  PHE A O   1 
ATOM   296  C  CB  . PHE A 1 38  ? -18.529 -0.959  10.401  1.00 23.19 ? 56  PHE A CB  1 
ATOM   297  C  CG  . PHE A 1 38  ? -19.804 -0.172  10.592  1.00 22.09 ? 56  PHE A CG  1 
ATOM   298  C  CD1 . PHE A 1 38  ? -20.451 0.455   9.530   1.00 21.18 ? 56  PHE A CD1 1 
ATOM   299  C  CD2 . PHE A 1 38  ? -20.318 -0.020  11.867  1.00 23.15 ? 56  PHE A CD2 1 
ATOM   300  C  CE1 . PHE A 1 38  ? -21.603 1.219   9.751   1.00 21.98 ? 56  PHE A CE1 1 
ATOM   301  C  CE2 . PHE A 1 38  ? -21.463 0.733   12.096  1.00 24.87 ? 56  PHE A CE2 1 
ATOM   302  C  CZ  . PHE A 1 38  ? -22.108 1.348   11.035  1.00 23.14 ? 56  PHE A CZ  1 
ATOM   303  N  N   . ASN A 1 39  ? -16.858 -3.479  8.350   1.00 20.39 ? 57  ASN A N   1 
ATOM   304  C  CA  . ASN A 1 39  ? -15.559 -4.148  8.240   1.00 17.93 ? 57  ASN A CA  1 
ATOM   305  C  C   . ASN A 1 39  ? -15.026 -4.008  6.818   1.00 18.20 ? 57  ASN A C   1 
ATOM   306  O  O   . ASN A 1 39  ? -15.630 -4.533  5.874   1.00 20.58 ? 57  ASN A O   1 
ATOM   307  C  CB  . ASN A 1 39  ? -15.733 -5.616  8.633   1.00 19.18 ? 57  ASN A CB  1 
ATOM   308  C  CG  . ASN A 1 39  ? -14.450 -6.416  8.560   1.00 20.74 ? 57  ASN A CG  1 
ATOM   309  O  OD1 . ASN A 1 39  ? -13.369 -5.882  8.354   1.00 21.37 ? 57  ASN A OD1 1 
ATOM   310  N  ND2 . ASN A 1 39  ? -14.575 -7.722  8.796   1.00 25.90 ? 57  ASN A ND2 1 
ATOM   311  N  N   . THR A 1 40  ? -13.893 -3.307  6.660   1.00 19.14 ? 58  THR A N   1 
ATOM   312  C  CA  . THR A 1 40  ? -13.334 -3.121  5.325   1.00 19.92 ? 58  THR A CA  1 
ATOM   313  C  C   . THR A 1 40  ? -12.861 -4.428  4.690   1.00 19.31 ? 58  THR A C   1 
ATOM   314  O  O   . THR A 1 40  ? -12.728 -4.480  3.468   1.00 21.18 ? 58  THR A O   1 
ATOM   315  C  CB  . THR A 1 40  ? -12.155 -2.149  5.342   1.00 21.18 ? 58  THR A CB  1 
ATOM   316  O  OG1 . THR A 1 40  ? -11.061 -2.711  6.094   1.00 22.39 ? 58  THR A OG1 1 
ATOM   317  C  CG2 . THR A 1 40  ? -12.542 -0.810  5.957   1.00 23.56 ? 58  THR A CG2 1 
ATOM   318  N  N   . GLN A 1 41  ? -12.634 -5.477  5.472   1.00 19.49 ? 59  GLN A N   1 
ATOM   319  C  CA  . GLN A 1 41  ? -12.113 -6.724  4.925   1.00 18.91 ? 59  GLN A CA  1 
ATOM   320  C  C   . GLN A 1 41  ? -13.194 -7.727  4.545   1.00 18.70 ? 59  GLN A C   1 
ATOM   321  O  O   . GLN A 1 41  ? -12.856 -8.837  4.119   1.00 22.83 ? 59  GLN A O   1 
ATOM   322  C  CB  . GLN A 1 41  ? -11.141 -7.368  5.916   1.00 19.85 ? 59  GLN A CB  1 
ATOM   323  C  CG  . GLN A 1 41  ? -9.915  -6.532  6.202   1.00 21.54 ? 59  GLN A CG  1 
ATOM   324  C  CD  . GLN A 1 41  ? -8.829  -7.345  6.862   1.00 23.36 ? 59  GLN A CD  1 
ATOM   325  O  OE1 . GLN A 1 41  ? -8.194  -8.176  6.217   1.00 26.76 ? 59  GLN A OE1 1 
ATOM   326  N  NE2 . GLN A 1 41  ? -8.648  -7.158  8.161   1.00 22.60 ? 59  GLN A NE2 1 
ATOM   327  N  N   . ALA A 1 42  ? -14.478 -7.375  4.656   1.00 17.78 ? 60  ALA A N   1 
ATOM   328  C  CA  . ALA A 1 42  ? -15.549 -8.316  4.340   1.00 18.61 ? 60  ALA A CA  1 
ATOM   329  C  C   . ALA A 1 42  ? -15.528 -8.729  2.867   1.00 19.33 ? 60  ALA A C   1 
ATOM   330  O  O   . ALA A 1 42  ? -15.376 -7.898  1.967   1.00 18.46 ? 60  ALA A O   1 
ATOM   331  C  CB  . ALA A 1 42  ? -16.902 -7.682  4.679   1.00 20.98 ? 60  ALA A CB  1 
ATOM   332  N  N   . THR A 1 43  ? -15.682 -10.028 2.630   1.00 19.21 ? 61  THR A N   1 
ATOM   333  C  CA  . THR A 1 43  ? -15.882 -10.575 1.295   1.00 20.07 ? 61  THR A CA  1 
ATOM   334  C  C   . THR A 1 43  ? -17.001 -11.597 1.349   1.00 21.53 ? 61  THR A C   1 
ATOM   335  O  O   . THR A 1 43  ? -17.196 -12.280 2.359   1.00 23.63 ? 61  THR A O   1 
ATOM   336  C  CB  . THR A 1 43  ? -14.633 -11.273 0.743   1.00 20.00 ? 61  THR A CB  1 
ATOM   337  O  OG1 . THR A 1 43  ? -14.260 -12.336 1.621   1.00 22.28 ? 61  THR A OG1 1 
ATOM   338  C  CG2 . THR A 1 43  ? -13.472 -10.330 0.593   1.00 21.97 ? 61  THR A CG2 1 
ATOM   339  N  N   . ASN A 1 44  ? -17.728 -11.711 0.243   1.00 19.33 ? 62  ASN A N   1 
ATOM   340  C  CA  . ASN A 1 44  ? -18.804 -12.696 0.150   1.00 19.41 ? 62  ASN A CA  1 
ATOM   341  C  C   . ASN A 1 44  ? -18.933 -13.155 -1.292  1.00 20.02 ? 62  ASN A C   1 
ATOM   342  O  O   . ASN A 1 44  ? -18.963 -12.327 -2.205  1.00 21.73 ? 62  ASN A O   1 
ATOM   343  C  CB  . ASN A 1 44  ? -20.125 -12.092 0.632   1.00 22.41 ? 62  ASN A CB  1 
ATOM   344  C  CG  . ASN A 1 44  ? -20.197 -12.000 2.146   1.00 27.16 ? 62  ASN A CG  1 
ATOM   345  O  OD1 . ASN A 1 44  ? -20.297 -13.009 2.844   1.00 31.04 ? 62  ASN A OD1 1 
ATOM   346  N  ND2 . ASN A 1 44  ? -20.126 -10.780 2.661   1.00 29.92 ? 62  ASN A ND2 1 
ATOM   347  N  N   . ARG A 1 45  ? -19.045 -14.468 -1.486  1.00 22.75 ? 63  ARG A N   1 
ATOM   348  C  CA  . ARG A 1 45  ? -19.119 -15.043 -2.823  1.00 23.35 ? 63  ARG A CA  1 
ATOM   349  C  C   . ARG A 1 45  ? -20.570 -15.121 -3.269  1.00 25.77 ? 63  ARG A C   1 
ATOM   350  O  O   . ARG A 1 45  ? -21.446 -15.508 -2.491  1.00 29.65 ? 63  ARG A O   1 
ATOM   351  C  CB  . ARG A 1 45  ? -18.519 -16.449 -2.817  1.00 27.82 ? 63  ARG A CB  1 
ATOM   352  C  CG  . ARG A 1 45  ? -18.265 -16.999 -4.216  1.00 26.87 ? 63  ARG A CG  1 
ATOM   353  C  CD  . ARG A 1 45  ? -16.875 -16.579 -4.634  1.00 31.30 ? 63  ARG A CD  1 
ATOM   354  N  NE  . ARG A 1 45  ? -16.571 -16.816 -6.039  1.00 36.48 ? 63  ARG A NE  1 
ATOM   355  C  CZ  . ARG A 1 45  ? -15.725 -17.737 -6.480  1.00 34.66 ? 63  ARG A CZ  1 
ATOM   356  N  NH1 . ARG A 1 45  ? -15.150 -18.602 -5.658  1.00 38.06 ? 63  ARG A NH1 1 
ATOM   357  N  NH2 . ARG A 1 45  ? -15.437 -17.783 -7.778  1.00 33.55 ? 63  ARG A NH2 1 
ATOM   358  N  N   . ASN A 1 46  ? -20.826 -14.732 -4.512  1.00 22.08 ? 64  ASN A N   1 
ATOM   359  C  CA  . ASN A 1 46  ? -22.164 -14.833 -5.084  1.00 27.87 ? 64  ASN A CA  1 
ATOM   360  C  C   . ASN A 1 46  ? -22.323 -16.133 -5.870  1.00 27.34 ? 64  ASN A C   1 
ATOM   361  O  O   . ASN A 1 46  ? -21.351 -16.783 -6.258  1.00 30.05 ? 64  ASN A O   1 
ATOM   362  C  CB  . ASN A 1 46  ? -22.484 -13.626 -5.979  1.00 25.72 ? 64  ASN A CB  1 
ATOM   363  C  CG  . ASN A 1 46  ? -22.245 -12.297 -5.280  1.00 26.21 ? 64  ASN A CG  1 
ATOM   364  O  OD1 . ASN A 1 46  ? -22.808 -12.053 -4.221  1.00 32.12 ? 64  ASN A OD1 1 
ATOM   365  N  ND2 . ASN A 1 46  ? -21.434 -11.433 -5.878  1.00 24.65 ? 64  ASN A ND2 1 
ATOM   366  N  N   . THR A 1 47  ? -23.585 -16.489 -6.126  1.00 32.89 ? 65  THR A N   1 
ATOM   367  C  CA  . THR A 1 47  ? -23.874 -17.757 -6.791  1.00 34.62 ? 65  THR A CA  1 
ATOM   368  C  C   . THR A 1 47  ? -23.271 -17.815 -8.189  1.00 35.39 ? 65  THR A C   1 
ATOM   369  O  O   . THR A 1 47  ? -22.798 -18.880 -8.607  1.00 36.96 ? 65  THR A O   1 
ATOM   370  C  CB  . THR A 1 47  ? -25.385 -18.019 -6.814  1.00 35.65 ? 65  THR A CB  1 
ATOM   371  O  OG1 . THR A 1 47  ? -26.055 -16.942 -7.478  1.00 42.05 ? 65  THR A OG1 1 
ATOM   372  C  CG2 . THR A 1 47  ? -25.919 -18.138 -5.393  1.00 34.47 ? 65  THR A CG2 1 
ATOM   373  N  N   . ASP A 1 48  ? -23.235 -16.688 -8.906  1.00 32.77 ? 66  ASP A N   1 
ATOM   374  C  CA  . ASP A 1 48  ? -22.706 -16.678 -10.265 1.00 33.80 ? 66  ASP A CA  1 
ATOM   375  C  C   . ASP A 1 48  ? -21.183 -16.736 -10.315 1.00 31.95 ? 66  ASP A C   1 
ATOM   376  O  O   . ASP A 1 48  ? -20.615 -16.709 -11.413 1.00 35.52 ? 66  ASP A O   1 
ATOM   377  C  CB  . ASP A 1 48  ? -23.212 -15.455 -11.047 1.00 33.45 ? 66  ASP A CB  1 
ATOM   378  C  CG  . ASP A 1 48  ? -22.745 -14.126 -10.459 1.00 34.80 ? 66  ASP A CG  1 
ATOM   379  O  OD1 . ASP A 1 48  ? -22.072 -14.115 -9.410  1.00 32.47 ? 66  ASP A OD1 1 
ATOM   380  O  OD2 . ASP A 1 48  ? -23.079 -13.075 -11.050 1.00 37.18 ? 66  ASP A OD2 1 
ATOM   381  N  N   . GLY A 1 49  ? -20.508 -16.802 -9.165  1.00 28.43 ? 67  GLY A N   1 
ATOM   382  C  CA  . GLY A 1 49  ? -19.065 -16.876 -9.117  1.00 27.32 ? 67  GLY A CA  1 
ATOM   383  C  C   . GLY A 1 49  ? -18.368 -15.549 -8.884  1.00 27.58 ? 67  GLY A C   1 
ATOM   384  O  O   . GLY A 1 49  ? -17.155 -15.540 -8.638  1.00 27.78 ? 67  GLY A O   1 
ATOM   385  N  N   . SER A 1 50  ? -19.090 -14.434 -8.971  1.00 25.33 ? 68  SER A N   1 
ATOM   386  C  CA  . SER A 1 50  ? -18.528 -13.144 -8.615  1.00 22.77 ? 68  SER A CA  1 
ATOM   387  C  C   . SER A 1 50  ? -18.426 -13.038 -7.092  1.00 21.74 ? 68  SER A C   1 
ATOM   388  O  O   . SER A 1 50  ? -18.971 -13.853 -6.348  1.00 22.30 ? 68  SER A O   1 
ATOM   389  C  CB  . SER A 1 50  ? -19.398 -12.029 -9.188  1.00 23.14 ? 68  SER A CB  1 
ATOM   390  O  OG  . SER A 1 50  ? -20.668 -12.038 -8.551  1.00 23.77 ? 68  SER A OG  1 
ATOM   391  N  N   . THR A 1 51  ? -17.695 -12.029 -6.639  1.00 19.46 ? 69  THR A N   1 
ATOM   392  C  CA  . THR A 1 51  ? -17.451 -11.790 -5.221  1.00 17.66 ? 69  THR A CA  1 
ATOM   393  C  C   . THR A 1 51  ? -17.714 -10.321 -4.908  1.00 17.54 ? 69  THR A C   1 
ATOM   394  O  O   . THR A 1 51  ? -17.445 -9.449  -5.738  1.00 19.28 ? 69  THR A O   1 
ATOM   395  C  CB  . THR A 1 51  ? -16.000 -12.196 -4.841  1.00 19.68 ? 69  THR A CB  1 
ATOM   396  O  OG1 . THR A 1 51  ? -15.771 -13.572 -5.197  1.00 20.06 ? 69  THR A OG1 1 
ATOM   397  C  CG2 . THR A 1 51  ? -15.713 -12.023 -3.348  1.00 19.73 ? 69  THR A CG2 1 
ATOM   398  N  N   . ASP A 1 52  ? -18.255 -10.055 -3.713  1.00 18.86 ? 70  ASP A N   1 
ATOM   399  C  CA  . ASP A 1 52  ? -18.456 -8.697  -3.214  1.00 18.80 ? 70  ASP A CA  1 
ATOM   400  C  C   . ASP A 1 52  ? -17.354 -8.363  -2.214  1.00 17.38 ? 70  ASP A C   1 
ATOM   401  O  O   . ASP A 1 52  ? -16.995 -9.194  -1.372  1.00 19.15 ? 70  ASP A O   1 
ATOM   402  C  CB  . ASP A 1 52  ? -19.802 -8.568  -2.493  1.00 18.20 ? 70  ASP A CB  1 
ATOM   403  C  CG  . ASP A 1 52  ? -20.986 -8.853  -3.378  1.00 23.74 ? 70  ASP A CG  1 
ATOM   404  O  OD1 . ASP A 1 52  ? -20.898 -8.680  -4.603  1.00 22.40 ? 70  ASP A OD1 1 
ATOM   405  O  OD2 . ASP A 1 52  ? -22.046 -9.200  -2.822  1.00 31.92 ? 70  ASP A OD2 1 
ATOM   406  N  N   . TYR A 1 53  ? -16.853 -7.129  -2.275  1.00 17.98 ? 71  TYR A N   1 
ATOM   407  C  CA  . TYR A 1 53  ? -15.642 -6.718  -1.566  1.00 17.09 ? 71  TYR A CA  1 
ATOM   408  C  C   . TYR A 1 53  ? -15.853 -5.443  -0.761  1.00 18.64 ? 71  TYR A C   1 
ATOM   409  O  O   . TYR A 1 53  ? -16.304 -4.426  -1.298  1.00 18.62 ? 71  TYR A O   1 
ATOM   410  C  CB  . TYR A 1 53  ? -14.506 -6.452  -2.560  1.00 18.20 ? 71  TYR A CB  1 
ATOM   411  C  CG  . TYR A 1 53  ? -14.014 -7.688  -3.273  1.00 19.53 ? 71  TYR A CG  1 
ATOM   412  C  CD1 . TYR A 1 53  ? -14.596 -8.101  -4.470  1.00 18.89 ? 71  TYR A CD1 1 
ATOM   413  C  CD2 . TYR A 1 53  ? -12.986 -8.464  -2.744  1.00 19.60 ? 71  TYR A CD2 1 
ATOM   414  C  CE1 . TYR A 1 53  ? -14.154 -9.247  -5.125  1.00 17.50 ? 71  TYR A CE1 1 
ATOM   415  C  CE2 . TYR A 1 53  ? -12.554 -9.614  -3.393  1.00 19.50 ? 71  TYR A CE2 1 
ATOM   416  C  CZ  . TYR A 1 53  ? -13.142 -9.993  -4.573  1.00 18.73 ? 71  TYR A CZ  1 
ATOM   417  O  OH  . TYR A 1 53  ? -12.720 -11.132 -5.245  1.00 20.52 ? 71  TYR A OH  1 
ATOM   418  N  N   . GLY A 1 54  ? -15.453 -5.488  0.502   1.00 17.44 ? 72  GLY A N   1 
ATOM   419  C  CA  . GLY A 1 54  ? -15.215 -4.288  1.268   1.00 18.86 ? 72  GLY A CA  1 
ATOM   420  C  C   . GLY A 1 54  ? -16.432 -3.775  2.000   1.00 17.47 ? 72  GLY A C   1 
ATOM   421  O  O   . GLY A 1 54  ? -17.483 -4.418  2.098   1.00 18.08 ? 72  GLY A O   1 
ATOM   422  N  N   . ILE A 1 55  ? -16.269 -2.547  2.501   1.00 19.66 ? 73  ILE A N   1 
ATOM   423  C  CA  . ILE A 1 55  ? -17.241 -1.938  3.404   1.00 19.33 ? 73  ILE A CA  1 
ATOM   424  C  C   . ILE A 1 55  ? -18.597 -1.750  2.726   1.00 18.80 ? 73  ILE A C   1 
ATOM   425  O  O   . ILE A 1 55  ? -19.639 -1.791  3.394   1.00 20.16 ? 73  ILE A O   1 
ATOM   426  C  CB  . ILE A 1 55  ? -16.645 -0.637  3.992   1.00 22.73 ? 73  ILE A CB  1 
ATOM   427  C  CG1 . ILE A 1 55  ? -17.392 -0.214  5.259   1.00 26.89 ? 73  ILE A CG1 1 
ATOM   428  C  CG2 . ILE A 1 55  ? -16.556 0.450   2.944   1.00 24.48 ? 73  ILE A CG2 1 
ATOM   429  C  CD1 . ILE A 1 55  ? -16.502 0.388   6.315   1.00 30.76 ? 73  ILE A CD1 1 
ATOM   430  N  N   . LEU A 1 56  ? -18.614 -1.584  1.398   1.00 19.47 ? 74  LEU A N   1 
ATOM   431  C  CA  . LEU A 1 56  ? -19.846 -1.442  0.634   1.00 19.11 ? 74  LEU A CA  1 
ATOM   432  C  C   . LEU A 1 56  ? -20.100 -2.616  -0.309  1.00 21.14 ? 74  LEU A C   1 
ATOM   433  O  O   . LEU A 1 56  ? -21.005 -2.560  -1.147  1.00 20.46 ? 74  LEU A O   1 
ATOM   434  C  CB  . LEU A 1 56  ? -19.853 -0.102  -0.106  1.00 20.29 ? 74  LEU A CB  1 
ATOM   435  C  CG  . LEU A 1 56  ? -20.101 1.124   0.794   1.00 21.84 ? 74  LEU A CG  1 
ATOM   436  C  CD1 . LEU A 1 56  ? -19.884 2.403   0.010   1.00 24.66 ? 74  LEU A CD1 1 
ATOM   437  C  CD2 . LEU A 1 56  ? -21.506 1.081   1.364   1.00 24.93 ? 74  LEU A CD2 1 
ATOM   438  N  N   . GLN A 1 57  ? -19.344 -3.699  -0.169  1.00 17.79 ? 75  GLN A N   1 
ATOM   439  C  CA  . GLN A 1 57  ? -19.655 -4.966  -0.831  1.00 17.81 ? 75  GLN A CA  1 
ATOM   440  C  C   . GLN A 1 57  ? -19.833 -4.792  -2.338  1.00 18.70 ? 75  GLN A C   1 
ATOM   441  O  O   . GLN A 1 57  ? -20.832 -5.215  -2.927  1.00 20.12 ? 75  GLN A O   1 
ATOM   442  C  CB  . GLN A 1 57  ? -20.859 -5.645  -0.182  1.00 19.14 ? 75  GLN A CB  1 
ATOM   443  C  CG  . GLN A 1 57  ? -20.546 -6.202  1.193   1.00 17.58 ? 75  GLN A CG  1 
ATOM   444  C  CD  . GLN A 1 57  ? -19.599 -7.373  1.128   1.00 18.49 ? 75  GLN A CD  1 
ATOM   445  O  OE1 . GLN A 1 57  ? -20.029 -8.494  0.878   1.00 21.10 ? 75  GLN A OE1 1 
ATOM   446  N  NE2 . GLN A 1 57  ? -18.305 -7.121  1.326   1.00 19.98 ? 75  GLN A NE2 1 
ATOM   447  N  N   . ILE A 1 58  ? -18.822 -4.219  -2.962  1.00 18.36 ? 76  ILE A N   1 
ATOM   448  C  CA  . ILE A 1 58  ? -18.862 -3.900  -4.384  1.00 18.83 ? 76  ILE A CA  1 
ATOM   449  C  C   . ILE A 1 58  ? -18.510 -5.156  -5.173  1.00 19.88 ? 76  ILE A C   1 
ATOM   450  O  O   . ILE A 1 58  ? -17.561 -5.877  -4.830  1.00 19.77 ? 76  ILE A O   1 
ATOM   451  C  CB  . ILE A 1 58  ? -17.907 -2.733  -4.661  1.00 19.82 ? 76  ILE A CB  1 
ATOM   452  C  CG1 . ILE A 1 58  ? -18.543 -1.440  -4.135  1.00 21.56 ? 76  ILE A CG1 1 
ATOM   453  C  CG2 . ILE A 1 58  ? -17.612 -2.621  -6.162  1.00 22.30 ? 76  ILE A CG2 1 
ATOM   454  C  CD1 . ILE A 1 58  ? -17.608 -0.242  -4.114  1.00 25.83 ? 76  ILE A CD1 1 
ATOM   455  N  N   . ASN A 1 59  ? -19.298 -5.430  -6.220  1.00 19.53 ? 77  ASN A N   1 
ATOM   456  C  CA  . ASN A 1 59  ? -19.332 -6.712  -6.927  1.00 20.39 ? 77  ASN A CA  1 
ATOM   457  C  C   . ASN A 1 59  ? -18.338 -6.755  -8.088  1.00 20.23 ? 77  ASN A C   1 
ATOM   458  O  O   . ASN A 1 59  ? -18.292 -5.833  -8.911  1.00 22.47 ? 77  ASN A O   1 
ATOM   459  C  CB  . ASN A 1 59  ? -20.761 -6.908  -7.450  1.00 21.87 ? 77  ASN A CB  1 
ATOM   460  C  CG  . ASN A 1 59  ? -21.034 -8.315  -7.945  1.00 25.53 ? 77  ASN A CG  1 
ATOM   461  O  OD1 . ASN A 1 59  ? -20.124 -9.107  -8.162  1.00 32.10 ? 77  ASN A OD1 1 
ATOM   462  N  ND2 . ASN A 1 59  ? -22.310 -8.634  -8.116  1.00 32.89 ? 77  ASN A ND2 1 
ATOM   463  N  N   . SER A 1 60  ? -17.567 -7.853  -8.171  1.00 20.27 ? 78  SER A N   1 
ATOM   464  C  CA  . SER A 1 60  ? -16.574 -8.033  -9.230  1.00 18.79 ? 78  SER A CA  1 
ATOM   465  C  C   . SER A 1 60  ? -17.196 -8.315  -10.587 1.00 21.32 ? 78  SER A C   1 
ATOM   466  O  O   . SER A 1 60  ? -16.469 -8.291  -11.582 1.00 23.98 ? 78  SER A O   1 
ATOM   467  C  CB  . SER A 1 60  ? -15.631 -9.189  -8.886  1.00 19.79 ? 78  SER A CB  1 
ATOM   468  O  OG  . SER A 1 60  ? -16.343 -10.414 -8.814  1.00 19.42 ? 78  SER A OG  1 
ATOM   469  N  N   . ARG A 1 61  ? -18.499 -8.608  -10.652 1.00 21.40 ? 79  ARG A N   1 
ATOM   470  C  CA  . ARG A 1 61  ? -19.128 -8.832  -11.955 1.00 25.28 ? 79  ARG A CA  1 
ATOM   471  C  C   . ARG A 1 61  ? -19.059 -7.586  -12.828 1.00 28.63 ? 79  ARG A C   1 
ATOM   472  O  O   . ARG A 1 61  ? -18.958 -7.692  -14.056 1.00 27.02 ? 79  ARG A O   1 
ATOM   473  C  CB  . ARG A 1 61  ? -20.581 -9.277  -11.760 1.00 28.91 ? 79  ARG A CB  1 
ATOM   474  C  CG  . ARG A 1 61  ? -21.455 -9.201  -13.011 1.00 37.70 ? 79  ARG A CG  1 
ATOM   475  C  CD  . ARG A 1 61  ? -21.274 -10.393 -13.941 1.00 39.51 ? 79  ARG A CD  1 
ATOM   476  N  NE  . ARG A 1 61  ? -21.092 -11.652 -13.228 1.00 41.06 ? 79  ARG A NE  1 
ATOM   477  C  CZ  . ARG A 1 61  ? -20.376 -12.674 -13.682 1.00 45.45 ? 79  ARG A CZ  1 
ATOM   478  N  NH1 . ARG A 1 61  ? -19.744 -12.615 -14.846 1.00 45.60 ? 79  ARG A NH1 1 
ATOM   479  N  NH2 . ARG A 1 61  ? -20.289 -13.781 -12.949 1.00 43.61 ? 79  ARG A NH2 1 
ATOM   480  N  N   . TRP A 1 62  ? -19.091 -6.401  -12.218 1.00 24.29 ? 80  TRP A N   1 
ATOM   481  C  CA  . TRP A 1 62  ? -19.122 -5.155  -12.972 1.00 25.03 ? 80  TRP A CA  1 
ATOM   482  C  C   . TRP A 1 62  ? -18.023 -4.165  -12.618 1.00 24.17 ? 80  TRP A C   1 
ATOM   483  O  O   . TRP A 1 62  ? -17.611 -3.380  -13.468 1.00 24.86 ? 80  TRP A O   1 
ATOM   484  C  CB  . TRP A 1 62  ? -20.475 -4.448  -12.796 1.00 26.00 ? 80  TRP A CB  1 
ATOM   485  C  CG  . TRP A 1 62  ? -21.653 -5.298  -13.140 1.00 30.48 ? 80  TRP A CG  1 
ATOM   486  C  CD1 . TRP A 1 62  ? -22.542 -5.861  -12.275 1.00 33.25 ? 80  TRP A CD1 1 
ATOM   487  C  CD2 . TRP A 1 62  ? -22.107 -5.626  -14.455 1.00 36.38 ? 80  TRP A CD2 1 
ATOM   488  N  NE1 . TRP A 1 62  ? -23.502 -6.558  -12.972 1.00 38.25 ? 80  TRP A NE1 1 
ATOM   489  C  CE2 . TRP A 1 62  ? -23.260 -6.423  -14.313 1.00 36.49 ? 80  TRP A CE2 1 
ATOM   490  C  CE3 . TRP A 1 62  ? -21.638 -5.336  -15.740 1.00 38.94 ? 80  TRP A CE3 1 
ATOM   491  C  CZ2 . TRP A 1 62  ? -23.955 -6.937  -15.410 1.00 44.05 ? 80  TRP A CZ2 1 
ATOM   492  C  CZ3 . TRP A 1 62  ? -22.328 -5.846  -16.832 1.00 43.33 ? 80  TRP A CZ3 1 
ATOM   493  C  CH2 . TRP A 1 62  ? -23.476 -6.638  -16.657 1.00 44.77 ? 80  TRP A CH2 1 
ATOM   494  N  N   . TRP A 1 63  ? -17.559 -4.142  -11.366 1.00 21.66 ? 81  TRP A N   1 
ATOM   495  C  CA  . TRP A 1 63  ? -16.925 -2.928  -10.870 1.00 20.61 ? 81  TRP A CA  1 
ATOM   496  C  C   . TRP A 1 63  ? -15.441 -3.009  -10.590 1.00 21.99 ? 81  TRP A C   1 
ATOM   497  O  O   . TRP A 1 63  ? -14.796 -1.959  -10.527 1.00 23.33 ? 81  TRP A O   1 
ATOM   498  C  CB  . TRP A 1 63  ? -17.653 -2.402  -9.621  1.00 21.56 ? 81  TRP A CB  1 
ATOM   499  C  CG  . TRP A 1 63  ? -19.132 -2.234  -9.868  1.00 21.59 ? 81  TRP A CG  1 
ATOM   500  C  CD1 . TRP A 1 63  ? -20.139 -3.027  -9.413  1.00 21.95 ? 81  TRP A CD1 1 
ATOM   501  C  CD2 . TRP A 1 63  ? -19.749 -1.196  -10.641 1.00 22.58 ? 81  TRP A CD2 1 
ATOM   502  N  NE1 . TRP A 1 63  ? -21.363 -2.553  -9.869  1.00 25.13 ? 81  TRP A NE1 1 
ATOM   503  C  CE2 . TRP A 1 63  ? -21.142 -1.428  -10.622 1.00 24.50 ? 81  TRP A CE2 1 
ATOM   504  C  CE3 . TRP A 1 63  ? -19.258 -0.089  -11.339 1.00 23.74 ? 81  TRP A CE3 1 
ATOM   505  C  CZ2 . TRP A 1 63  ? -22.047 -0.591  -11.287 1.00 24.46 ? 81  TRP A CZ2 1 
ATOM   506  C  CZ3 . TRP A 1 63  ? -20.163 0.741   -11.994 1.00 25.11 ? 81  TRP A CZ3 1 
ATOM   507  C  CH2 . TRP A 1 63  ? -21.533 0.479   -11.965 1.00 25.71 ? 81  TRP A CH2 1 
ATOM   508  N  N   . CYS A 1 64  ? -14.889 -4.204  -10.411 1.00 20.03 ? 82  CYS A N   1 
ATOM   509  C  CA  . CYS A 1 64  ? -13.482 -4.344  -10.070 1.00 20.26 ? 82  CYS A CA  1 
ATOM   510  C  C   . CYS A 1 64  ? -12.975 -5.654  -10.646 1.00 19.68 ? 82  CYS A C   1 
ATOM   511  O  O   . CYS A 1 64  ? -13.754 -6.555  -10.966 1.00 21.27 ? 82  CYS A O   1 
ATOM   512  C  CB  . CYS A 1 64  ? -13.238 -4.259  -8.550  1.00 21.72 ? 82  CYS A CB  1 
ATOM   513  S  SG  . CYS A 1 64  ? -14.018 -5.550  -7.553  1.00 19.25 ? 82  CYS A SG  1 
ATOM   514  N  N   . ASN A 1 65  ? -11.656 -5.763  -10.739 1.00 20.00 ? 83  ASN A N   1 
ATOM   515  C  CA  . ASN A 1 65  ? -11.027 -6.967  -11.271 1.00 23.28 ? 83  ASN A CA  1 
ATOM   516  C  C   . ASN A 1 65  ? -10.452 -7.828  -10.147 1.00 20.57 ? 83  ASN A C   1 
ATOM   517  O  O   . ASN A 1 65  ? -9.591  -7.366  -9.382  1.00 20.57 ? 83  ASN A O   1 
ATOM   518  C  CB  . ASN A 1 65  ? -9.917  -6.587  -12.247 1.00 24.02 ? 83  ASN A CB  1 
ATOM   519  C  CG  . ASN A 1 65  ? -9.204  -7.804  -12.794 1.00 29.03 ? 83  ASN A CG  1 
ATOM   520  O  OD1 . ASN A 1 65  ? -9.847  -8.747  -13.266 1.00 31.30 ? 83  ASN A OD1 1 
ATOM   521  N  ND2 . ASN A 1 65  ? -7.880  -7.809  -12.707 1.00 35.13 ? 83  ASN A ND2 1 
ATOM   522  N  N   . ASP A 1 66  ? -10.911 -9.081  -10.057 1.00 19.54 ? 84  ASP A N   1 
ATOM   523  C  CA  . ASP A 1 66  ? -10.325 -10.028 -9.109  1.00 22.82 ? 84  ASP A CA  1 
ATOM   524  C  C   . ASP A 1 66  ? -9.662  -11.221 -9.791  1.00 22.69 ? 84  ASP A C   1 
ATOM   525  O  O   . ASP A 1 66  ? -9.202  -12.131 -9.098  1.00 23.49 ? 84  ASP A O   1 
ATOM   526  C  CB  . ASP A 1 66  ? -11.323 -10.466 -8.025  1.00 21.56 ? 84  ASP A CB  1 
ATOM   527  C  CG  . ASP A 1 66  ? -12.484 -11.287 -8.554  1.00 20.55 ? 84  ASP A CG  1 
ATOM   528  O  OD1 . ASP A 1 66  ? -12.562 -11.590 -9.770  1.00 20.70 ? 84  ASP A OD1 1 
ATOM   529  O  OD2 . ASP A 1 66  ? -13.358 -11.627 -7.733  1.00 20.38 ? 84  ASP A OD2 1 
ATOM   530  N  N   . GLY A 1 67  ? -9.591  -11.232 -11.120 1.00 23.93 ? 85  GLY A N   1 
ATOM   531  C  CA  . GLY A 1 67  ? -8.904  -12.298 -11.839 1.00 24.23 ? 85  GLY A CA  1 
ATOM   532  C  C   . GLY A 1 67  ? -9.602  -13.633 -11.857 1.00 28.48 ? 85  GLY A C   1 
ATOM   533  O  O   . GLY A 1 67  ? -9.036  -14.613 -12.363 1.00 31.14 ? 85  GLY A O   1 
ATOM   534  N  N   . ARG A 1 68  ? -10.819 -13.716 -11.326 1.00 22.20 ? 86  ARG A N   1 
ATOM   535  C  CA  . ARG A 1 68  ? -11.515 -14.989 -11.226 1.00 24.95 ? 86  ARG A CA  1 
ATOM   536  C  C   . ARG A 1 68  ? -13.015 -14.863 -11.478 1.00 25.97 ? 86  ARG A C   1 
ATOM   537  O  O   . ARG A 1 68  ? -13.795 -15.705 -11.017 1.00 28.62 ? 86  ARG A O   1 
ATOM   538  C  CB  . ARG A 1 68  ? -11.219 -15.681 -9.896  1.00 23.53 ? 86  ARG A CB  1 
ATOM   539  C  CG  . ARG A 1 68  ? -11.870 -15.016 -8.701  1.00 26.16 ? 86  ARG A CG  1 
ATOM   540  C  CD  . ARG A 1 68  ? -11.902 -15.999 -7.563  1.00 30.29 ? 86  ARG A CD  1 
ATOM   541  N  NE  . ARG A 1 68  ? -12.927 -15.681 -6.579  1.00 30.72 ? 86  ARG A NE  1 
ATOM   542  C  CZ  . ARG A 1 68  ? -12.848 -16.029 -5.300  1.00 27.55 ? 86  ARG A CZ  1 
ATOM   543  N  NH1 . ARG A 1 68  ? -11.886 -16.826 -4.866  1.00 29.27 ? 86  ARG A NH1 1 
ATOM   544  N  NH2 . ARG A 1 68  ? -13.777 -15.597 -4.445  1.00 28.46 ? 86  ARG A NH2 1 
ATOM   545  N  N   . THR A 1 69  ? -13.435 -13.842 -12.226 1.00 25.00 ? 87  THR A N   1 
ATOM   546  C  CA  . THR A 1 69  ? -14.838 -13.654 -12.609 1.00 25.58 ? 87  THR A CA  1 
ATOM   547  C  C   . THR A 1 69  ? -14.866 -13.533 -14.127 1.00 25.85 ? 87  THR A C   1 
ATOM   548  O  O   . THR A 1 69  ? -14.876 -12.422 -14.671 1.00 28.13 ? 87  THR A O   1 
ATOM   549  C  CB  . THR A 1 69  ? -15.449 -12.417 -11.939 1.00 24.40 ? 87  THR A CB  1 
ATOM   550  O  OG1 . THR A 1 69  ? -15.088 -12.385 -10.547 1.00 23.66 ? 87  THR A OG1 1 
ATOM   551  C  CG2 . THR A 1 69  ? -16.970 -12.450 -12.043 1.00 24.92 ? 87  THR A CG2 1 
ATOM   552  N  N   . PRO A 1 70  ? -14.853 -14.661 -14.843 1.00 27.68 ? 88  PRO A N   1 
ATOM   553  C  CA  . PRO A 1 70  ? -14.754 -14.609 -16.310 1.00 29.05 ? 88  PRO A CA  1 
ATOM   554  C  C   . PRO A 1 70  ? -15.907 -13.852 -16.954 1.00 30.87 ? 88  PRO A C   1 
ATOM   555  O  O   . PRO A 1 70  ? -17.068 -13.993 -16.562 1.00 30.20 ? 88  PRO A O   1 
ATOM   556  C  CB  . PRO A 1 70  ? -14.769 -16.091 -16.710 1.00 31.69 ? 88  PRO A CB  1 
ATOM   557  C  CG  . PRO A 1 70  ? -14.225 -16.795 -15.502 1.00 33.83 ? 88  PRO A CG  1 
ATOM   558  C  CD  . PRO A 1 70  ? -14.855 -16.050 -14.354 1.00 30.89 ? 88  PRO A CD  1 
ATOM   559  N  N   . GLY A 1 71  ? -15.570 -13.051 -17.968 1.00 31.10 ? 89  GLY A N   1 
ATOM   560  C  CA  . GLY A 1 71  ? -16.558 -12.275 -18.687 1.00 34.80 ? 89  GLY A CA  1 
ATOM   561  C  C   . GLY A 1 71  ? -17.020 -11.026 -17.975 1.00 35.73 ? 89  GLY A C   1 
ATOM   562  O  O   . GLY A 1 71  ? -17.940 -10.357 -18.457 1.00 37.51 ? 89  GLY A O   1 
ATOM   563  N  N   . SER A 1 72  ? -16.407 -10.684 -16.850 1.00 33.87 ? 90  SER A N   1 
ATOM   564  C  CA  . SER A 1 72  ? -16.865 -9.559  -16.058 1.00 31.47 ? 90  SER A CA  1 
ATOM   565  C  C   . SER A 1 72  ? -16.242 -8.254  -16.548 1.00 33.14 ? 90  SER A C   1 
ATOM   566  O  O   . SER A 1 72  ? -15.313 -8.231  -17.361 1.00 33.52 ? 90  SER A O   1 
ATOM   567  C  CB  . SER A 1 72  ? -16.538 -9.786  -14.582 1.00 29.10 ? 90  SER A CB  1 
ATOM   568  O  OG  . SER A 1 72  ? -15.142 -9.705  -14.352 1.00 27.61 ? 90  SER A OG  1 
ATOM   569  N  N   . ARG A 1 73  ? -16.771 -7.153  -16.037 1.00 29.22 ? 91  ARG A N   1 
ATOM   570  C  CA  . ARG A 1 73  ? -16.239 -5.834  -16.326 1.00 28.98 ? 91  ARG A CA  1 
ATOM   571  C  C   . ARG A 1 73  ? -15.465 -5.325  -15.114 1.00 27.86 ? 91  ARG A C   1 
ATOM   572  O  O   . ARG A 1 73  ? -15.509 -5.905  -14.022 1.00 28.25 ? 91  ARG A O   1 
ATOM   573  C  CB  . ARG A 1 73  ? -17.381 -4.869  -16.672 1.00 30.41 ? 91  ARG A CB  1 
ATOM   574  C  CG  . ARG A 1 73  ? -17.859 -4.954  -18.115 1.00 38.20 ? 91  ARG A CG  1 
ATOM   575  C  CD  . ARG A 1 73  ? -16.725 -4.774  -19.113 1.00 46.93 ? 91  ARG A CD  1 
ATOM   576  N  NE  . ARG A 1 73  ? -17.124 -5.230  -20.440 1.00 55.57 ? 91  ARG A NE  1 
ATOM   577  C  CZ  . ARG A 1 73  ? -17.679 -4.456  -21.363 1.00 57.45 ? 91  ARG A CZ  1 
ATOM   578  N  NH1 . ARG A 1 73  ? -17.838 -3.154  -21.170 1.00 53.01 ? 91  ARG A NH1 1 
ATOM   579  N  NH2 . ARG A 1 73  ? -18.083 -4.999  -22.511 1.00 53.18 ? 91  ARG A NH2 1 
ATOM   580  N  N   . ASN A 1 74  ? -14.738 -4.229  -15.324 1.00 26.55 ? 92  ASN A N   1 
ATOM   581  C  CA  . ASN A 1 74  ? -13.950 -3.561  -14.290 1.00 24.43 ? 92  ASN A CA  1 
ATOM   582  C  C   . ASN A 1 74  ? -14.195 -2.055  -14.426 1.00 24.43 ? 92  ASN A C   1 
ATOM   583  O  O   . ASN A 1 74  ? -13.306 -1.275  -14.756 1.00 26.90 ? 92  ASN A O   1 
ATOM   584  C  CB  . ASN A 1 74  ? -12.467 -3.928  -14.412 1.00 24.93 ? 92  ASN A CB  1 
ATOM   585  C  CG  . ASN A 1 74  ? -11.592 -3.217  -13.390 1.00 25.30 ? 92  ASN A CG  1 
ATOM   586  O  OD1 . ASN A 1 74  ? -12.084 -2.619  -12.425 1.00 27.09 ? 92  ASN A OD1 1 
ATOM   587  N  ND2 . ASN A 1 74  ? -10.277 -3.281  -13.597 1.00 29.24 ? 92  ASN A ND2 1 
ATOM   588  N  N   . LEU A 1 75  ? -15.427 -1.634  -14.132 1.00 24.03 ? 93  LEU A N   1 
ATOM   589  C  CA  . LEU A 1 75  ? -15.847 -0.275  -14.460 1.00 25.07 ? 93  LEU A CA  1 
ATOM   590  C  C   . LEU A 1 75  ? -15.204 0.770   -13.558 1.00 26.39 ? 93  LEU A C   1 
ATOM   591  O  O   . LEU A 1 75  ? -15.098 1.939   -13.958 1.00 28.43 ? 93  LEU A O   1 
ATOM   592  C  CB  . LEU A 1 75  ? -17.375 -0.181  -14.410 1.00 27.21 ? 93  LEU A CB  1 
ATOM   593  C  CG  . LEU A 1 75  ? -18.076 -0.758  -15.647 1.00 30.37 ? 93  LEU A CG  1 
ATOM   594  C  CD1 . LEU A 1 75  ? -19.585 -0.705  -15.506 1.00 32.87 ? 93  LEU A CD1 1 
ATOM   595  C  CD2 . LEU A 1 75  ? -17.624 -0.040  -16.916 1.00 33.48 ? 93  LEU A CD2 1 
ATOM   596  N  N   . CYS A 1 76  ? -14.770 0.394   -12.354 1.00 23.83 ? 94  CYS A N   1 
ATOM   597  C  CA  . CYS A 1 76  ? -14.044 1.319   -11.498 1.00 24.84 ? 94  CYS A CA  1 
ATOM   598  C  C   . CYS A 1 76  ? -12.539 1.295   -11.729 1.00 25.14 ? 94  CYS A C   1 
ATOM   599  O  O   . CYS A 1 76  ? -11.825 2.089   -11.106 1.00 26.92 ? 94  CYS A O   1 
ATOM   600  C  CB  . CYS A 1 76  ? -14.372 1.069   -10.021 1.00 23.86 ? 94  CYS A CB  1 
ATOM   601  S  SG  . CYS A 1 76  ? -16.084 1.500   -9.617  1.00 22.99 ? 94  CYS A SG  1 
ATOM   602  N  N   . ASN A 1 77  ? -12.050 0.408   -12.608 1.00 25.72 ? 95  ASN A N   1 
ATOM   603  C  CA  . ASN A 1 77  ? -10.635 0.359   -13.004 1.00 27.15 ? 95  ASN A CA  1 
ATOM   604  C  C   . ASN A 1 77  ? -9.706  0.155   -11.814 1.00 28.37 ? 95  ASN A C   1 
ATOM   605  O  O   . ASN A 1 77  ? -8.720  0.871   -11.629 1.00 27.65 ? 95  ASN A O   1 
ATOM   606  C  CB  . ASN A 1 77  ? -10.234 1.593   -13.821 1.00 31.18 ? 95  ASN A CB  1 
ATOM   607  C  CG  . ASN A 1 77  ? -11.119 1.793   -15.039 1.00 36.70 ? 95  ASN A CG  1 
ATOM   608  O  OD1 . ASN A 1 77  ? -11.718 2.856   -15.223 1.00 43.63 ? 95  ASN A OD1 1 
ATOM   609  N  ND2 . ASN A 1 77  ? -11.207 0.765   -15.880 1.00 42.20 ? 95  ASN A ND2 1 
ATOM   610  N  N   . ILE A 1 78  ? -10.029 -0.852  -10.992 1.00 25.74 ? 96  ILE A N   1 
ATOM   611  C  CA  . ILE A 1 78  ? -9.248  -1.136  -9.789  1.00 25.29 ? 96  ILE A CA  1 
ATOM   612  C  C   . ILE A 1 78  ? -9.236  -2.632  -9.549  1.00 23.41 ? 96  ILE A C   1 
ATOM   613  O  O   . ILE A 1 78  ? -10.203 -3.345  -9.850  1.00 22.54 ? 96  ILE A O   1 
ATOM   614  C  CB  . ILE A 1 78  ? -9.840  -0.449  -8.538  1.00 24.38 ? 96  ILE A CB  1 
ATOM   615  C  CG1 . ILE A 1 78  ? -11.352 -0.651  -8.481  1.00 25.18 ? 96  ILE A CG1 1 
ATOM   616  C  CG2 . ILE A 1 78  ? -9.472  1.027   -8.477  1.00 30.17 ? 96  ILE A CG2 1 
ATOM   617  C  CD1 . ILE A 1 78  ? -11.912 -0.552  -7.073  1.00 28.02 ? 96  ILE A CD1 1 
ATOM   618  N  N   . PRO A 1 79  ? -8.156  -3.132  -8.957  1.00 22.91 ? 97  PRO A N   1 
ATOM   619  C  CA  . PRO A 1 79  ? -8.211  -4.487  -8.405  1.00 21.48 ? 97  PRO A CA  1 
ATOM   620  C  C   . PRO A 1 79  ? -9.179  -4.508  -7.227  1.00 19.96 ? 97  PRO A C   1 
ATOM   621  O  O   . PRO A 1 79  ? -9.239  -3.562  -6.434  1.00 21.13 ? 97  PRO A O   1 
ATOM   622  C  CB  . PRO A 1 79  ? -6.767  -4.747  -7.962  1.00 22.94 ? 97  PRO A CB  1 
ATOM   623  C  CG  . PRO A 1 79  ? -6.191  -3.385  -7.723  1.00 27.32 ? 97  PRO A CG  1 
ATOM   624  C  CD  . PRO A 1 79  ? -6.868  -2.461  -8.691  1.00 23.21 ? 97  PRO A CD  1 
ATOM   625  N  N   . CYS A 1 80  ? -9.961  -5.588  -7.124  1.00 19.49 ? 98  CYS A N   1 
ATOM   626  C  CA  . CYS A 1 80  ? -10.922 -5.682  -6.027  1.00 17.32 ? 98  CYS A CA  1 
ATOM   627  C  C   . CYS A 1 80  ? -10.253 -5.593  -4.662  1.00 20.66 ? 98  CYS A C   1 
ATOM   628  O  O   . CYS A 1 80  ? -10.875 -5.131  -3.701  1.00 21.05 ? 98  CYS A O   1 
ATOM   629  C  CB  . CYS A 1 80  ? -11.723 -6.978  -6.142  1.00 18.27 ? 98  CYS A CB  1 
ATOM   630  S  SG  . CYS A 1 80  ? -12.725 -7.111  -7.661  1.00 18.34 ? 98  CYS A SG  1 
ATOM   631  N  N   . SER A 1 81  ? -8.993  -6.034  -4.552  1.00 21.35 ? 99  SER A N   1 
ATOM   632  C  CA  . SER A 1 81  ? -8.290  -5.972  -3.269  1.00 22.44 ? 99  SER A CA  1 
ATOM   633  C  C   . SER A 1 81  ? -8.141  -4.547  -2.750  1.00 21.86 ? 99  SER A C   1 
ATOM   634  O  O   . SER A 1 81  ? -8.031  -4.341  -1.536  1.00 23.55 ? 99  SER A O   1 
ATOM   635  C  CB  . SER A 1 81  ? -6.915  -6.631  -3.393  1.00 24.20 ? 99  SER A CB  1 
ATOM   636  O  OG  . SER A 1 81  ? -6.131  -5.951  -4.360  1.00 26.57 ? 99  SER A OG  1 
ATOM   637  N  N   . ALA A 1 82  ? -8.107  -3.550  -3.636  1.00 20.95 ? 100 ALA A N   1 
ATOM   638  C  CA  . ALA A 1 82  ? -8.043  -2.165  -3.173  1.00 25.13 ? 100 ALA A CA  1 
ATOM   639  C  C   . ALA A 1 82  ? -9.277  -1.768  -2.378  1.00 23.37 ? 100 ALA A C   1 
ATOM   640  O  O   . ALA A 1 82  ? -9.225  -0.802  -1.606  1.00 25.94 ? 100 ALA A O   1 
ATOM   641  C  CB  . ALA A 1 82  ? -7.893  -1.218  -4.360  1.00 24.41 ? 100 ALA A CB  1 
ATOM   642  N  N   . LEU A 1 83  ? -10.391 -2.465  -2.566  1.00 20.91 ? 101 LEU A N   1 
ATOM   643  C  CA  . LEU A 1 83  ? -11.608 -2.186  -1.820  1.00 22.69 ? 101 LEU A CA  1 
ATOM   644  C  C   . LEU A 1 83  ? -11.570 -2.720  -0.397  1.00 22.53 ? 101 LEU A C   1 
ATOM   645  O  O   . LEU A 1 83  ? -12.532 -2.506  0.349   1.00 25.33 ? 101 LEU A O   1 
ATOM   646  C  CB  . LEU A 1 83  ? -12.816 -2.789  -2.535  1.00 22.61 ? 101 LEU A CB  1 
ATOM   647  C  CG  . LEU A 1 83  ? -13.009 -2.224  -3.934  1.00 21.47 ? 101 LEU A CG  1 
ATOM   648  C  CD1 . LEU A 1 83  ? -14.077 -2.968  -4.704  1.00 23.76 ? 101 LEU A CD1 1 
ATOM   649  C  CD2 . LEU A 1 83  ? -13.330 -0.732  -3.861  1.00 26.43 ? 101 LEU A CD2 1 
ATOM   650  N  N   . LEU A 1 84  ? -10.512 -3.438  -0.007  1.00 20.04 ? 102 LEU A N   1 
ATOM   651  C  CA  . LEU A 1 84  ? -10.413 -3.995  1.333   1.00 21.74 ? 102 LEU A CA  1 
ATOM   652  C  C   . LEU A 1 84  ? -9.490  -3.187  2.235   1.00 24.54 ? 102 LEU A C   1 
ATOM   653  O  O   . LEU A 1 84  ? -9.308  -3.549  3.405   1.00 26.74 ? 102 LEU A O   1 
ATOM   654  C  CB  . LEU A 1 84  ? -9.927  -5.445  1.256   1.00 21.91 ? 102 LEU A CB  1 
ATOM   655  C  CG  . LEU A 1 84  ? -10.755 -6.382  0.376   1.00 22.17 ? 102 LEU A CG  1 
ATOM   656  C  CD1 . LEU A 1 84  ? -10.164 -7.773  0.358   1.00 27.28 ? 102 LEU A CD1 1 
ATOM   657  C  CD2 . LEU A 1 84  ? -12.208 -6.444  0.819   1.00 23.21 ? 102 LEU A CD2 1 
ATOM   658  N  N   . SER A 1 85  ? -8.935  -2.095  1.733   1.00 24.12 ? 103 SER A N   1 
ATOM   659  C  CA  . SER A 1 85  ? -7.993  -1.282  2.487   1.00 25.75 ? 103 SER A CA  1 
ATOM   660  C  C   . SER A 1 85  ? -8.666  -0.583  3.673   1.00 26.87 ? 103 SER A C   1 
ATOM   661  O  O   . SER A 1 85  ? -9.873  -0.319  3.679   1.00 27.45 ? 103 SER A O   1 
ATOM   662  C  CB  . SER A 1 85  ? -7.390  -0.234  1.558   1.00 27.90 ? 103 SER A CB  1 
ATOM   663  O  OG  . SER A 1 85  ? -6.604  0.684   2.292   1.00 31.27 ? 103 SER A OG  1 
ATOM   664  N  N   . SER A 1 86  ? -7.860  -0.268  4.696   1.00 27.32 ? 104 SER A N   1 
ATOM   665  C  CA  . SER A 1 86  ? -8.375  0.536   5.804   1.00 28.33 ? 104 SER A CA  1 
ATOM   666  C  C   . SER A 1 86  ? -8.690  1.967   5.380   1.00 27.34 ? 104 SER A C   1 
ATOM   667  O  O   . SER A 1 86  ? -9.456  2.654   6.067   1.00 32.07 ? 104 SER A O   1 
ATOM   668  C  CB  . SER A 1 86  ? -7.384  0.552   6.968   1.00 30.98 ? 104 SER A CB  1 
ATOM   669  O  OG  . SER A 1 86  ? -6.101  0.951   6.526   1.00 35.49 ? 104 SER A OG  1 
ATOM   670  N  N   . ASP A 1 87  ? -8.112  2.429   4.277   1.00 26.98 ? 105 ASP A N   1 
ATOM   671  C  CA  . ASP A 1 87  ? -8.413  3.733   3.711   1.00 26.33 ? 105 ASP A CA  1 
ATOM   672  C  C   . ASP A 1 87  ? -9.584  3.514   2.760   1.00 27.89 ? 105 ASP A C   1 
ATOM   673  O  O   . ASP A 1 87  ? -9.474  2.736   1.806   1.00 28.06 ? 105 ASP A O   1 
ATOM   674  C  CB  . ASP A 1 87  ? -7.182  4.191   2.930   1.00 29.89 ? 105 ASP A CB  1 
ATOM   675  C  CG  . ASP A 1 87  ? -7.345  5.561   2.285   1.00 35.20 ? 105 ASP A CG  1 
ATOM   676  O  OD1 . ASP A 1 87  ? -8.447  5.930   1.842   1.00 33.00 ? 105 ASP A OD1 1 
ATOM   677  O  OD2 . ASP A 1 87  ? -6.327  6.279   2.194   1.00 40.60 ? 105 ASP A OD2 1 
ATOM   678  N  N   . ILE A 1 88  ? -10.711 4.181   3.026   1.00 23.01 ? 106 ILE A N   1 
ATOM   679  C  CA  . ILE A 1 88  ? -11.935 3.912   2.269   1.00 23.69 ? 106 ILE A CA  1 
ATOM   680  C  C   . ILE A 1 88  ? -12.008 4.633   0.936   1.00 24.00 ? 106 ILE A C   1 
ATOM   681  O  O   . ILE A 1 88  ? -13.028 4.512   0.250   1.00 23.62 ? 106 ILE A O   1 
ATOM   682  C  CB  . ILE A 1 88  ? -13.210 4.179   3.096   1.00 22.36 ? 106 ILE A CB  1 
ATOM   683  C  CG1 . ILE A 1 88  ? -13.351 5.674   3.433   1.00 27.26 ? 106 ILE A CG1 1 
ATOM   684  C  CG2 . ILE A 1 88  ? -13.228 3.307   4.348   1.00 26.79 ? 106 ILE A CG2 1 
ATOM   685  C  CD1 . ILE A 1 88  ? -14.742 6.067   3.923   1.00 30.30 ? 106 ILE A CD1 1 
ATOM   686  N  N   . THR A 1 89  ? -10.958 5.353   0.531   1.00 24.65 ? 107 THR A N   1 
ATOM   687  C  CA  . THR A 1 89  ? -11.045 6.213   -0.647  1.00 22.63 ? 107 THR A CA  1 
ATOM   688  C  C   . THR A 1 89  ? -11.487 5.438   -1.883  1.00 24.96 ? 107 THR A C   1 
ATOM   689  O  O   . THR A 1 89  ? -12.393 5.868   -2.605  1.00 24.57 ? 107 THR A O   1 
ATOM   690  C  CB  . THR A 1 89  ? -9.702  6.907   -0.888  1.00 25.80 ? 107 THR A CB  1 
ATOM   691  O  OG1 . THR A 1 89  ? -9.395  7.735   0.240   1.00 29.84 ? 107 THR A OG1 1 
ATOM   692  C  CG2 . THR A 1 89  ? -9.760  7.771   -2.142  1.00 28.82 ? 107 THR A CG2 1 
ATOM   693  N  N   . ALA A 1 90  ? -10.874 4.281   -2.134  1.00 23.85 ? 108 ALA A N   1 
ATOM   694  C  CA  . ALA A 1 90  ? -11.196 3.539   -3.348  1.00 23.63 ? 108 ALA A CA  1 
ATOM   695  C  C   . ALA A 1 90  ? -12.642 3.070   -3.328  1.00 21.73 ? 108 ALA A C   1 
ATOM   696  O  O   . ALA A 1 90  ? -13.336 3.135   -4.352  1.00 23.77 ? 108 ALA A O   1 
ATOM   697  C  CB  . ALA A 1 90  ? -10.235 2.361   -3.523  1.00 26.06 ? 108 ALA A CB  1 
ATOM   698  N  N   . SER A 1 91  ? -13.114 2.589   -2.175  1.00 21.36 ? 109 SER A N   1 
ATOM   699  C  CA  . SER A 1 91  ? -14.509 2.175   -2.078  1.00 20.07 ? 109 SER A CA  1 
ATOM   700  C  C   . SER A 1 91  ? -15.461 3.336   -2.320  1.00 22.69 ? 109 SER A C   1 
ATOM   701  O  O   . SER A 1 91  ? -16.466 3.183   -3.029  1.00 21.61 ? 109 SER A O   1 
ATOM   702  C  CB  . SER A 1 91  ? -14.782 1.529   -0.721  1.00 21.87 ? 109 SER A CB  1 
ATOM   703  O  OG  . SER A 1 91  ? -14.221 0.226   -0.670  1.00 22.82 ? 109 SER A OG  1 
ATOM   704  N  N   . VAL A 1 92  ? -15.167 4.502   -1.739  1.00 22.03 ? 110 VAL A N   1 
ATOM   705  C  CA  . VAL A 1 92  ? -16.046 5.652   -1.904  1.00 22.23 ? 110 VAL A CA  1 
ATOM   706  C  C   . VAL A 1 92  ? -16.057 6.104   -3.353  1.00 22.48 ? 110 VAL A C   1 
ATOM   707  O  O   . VAL A 1 92  ? -17.116 6.401   -3.916  1.00 22.34 ? 110 VAL A O   1 
ATOM   708  C  CB  . VAL A 1 92  ? -15.617 6.796   -0.965  1.00 22.78 ? 110 VAL A CB  1 
ATOM   709  C  CG1 . VAL A 1 92  ? -16.269 8.113   -1.404  1.00 27.66 ? 110 VAL A CG1 1 
ATOM   710  C  CG2 . VAL A 1 92  ? -15.967 6.467   0.477   1.00 26.70 ? 110 VAL A CG2 1 
ATOM   711  N  N   . ASN A 1 93  ? -14.882 6.181   -3.977  1.00 22.17 ? 111 ASN A N   1 
ATOM   712  C  CA  . ASN A 1 93  ? -14.821 6.638   -5.359  1.00 23.80 ? 111 ASN A CA  1 
ATOM   713  C  C   . ASN A 1 93  ? -15.570 5.693   -6.286  1.00 24.33 ? 111 ASN A C   1 
ATOM   714  O  O   . ASN A 1 93  ? -16.258 6.135   -7.210  1.00 24.02 ? 111 ASN A O   1 
ATOM   715  C  CB  . ASN A 1 93  ? -13.367 6.805   -5.799  1.00 28.51 ? 111 ASN A CB  1 
ATOM   716  C  CG  . ASN A 1 93  ? -12.719 8.042   -5.197  1.00 33.27 ? 111 ASN A CG  1 
ATOM   717  O  OD1 . ASN A 1 93  ? -13.399 8.896   -4.621  1.00 35.34 ? 111 ASN A OD1 1 
ATOM   718  N  ND2 . ASN A 1 93  ? -11.398 8.128   -5.301  1.00 36.40 ? 111 ASN A ND2 1 
ATOM   719  N  N   . CYS A 1 94  ? -15.460 4.386   -6.053  1.00 20.57 ? 112 CYS A N   1 
ATOM   720  C  CA  . CYS A 1 94  ? -16.209 3.445   -6.872  1.00 19.87 ? 112 CYS A CA  1 
ATOM   721  C  C   . CYS A 1 94  ? -17.706 3.530   -6.576  1.00 21.03 ? 112 CYS A C   1 
ATOM   722  O  O   . CYS A 1 94  ? -18.533 3.489   -7.497  1.00 20.37 ? 112 CYS A O   1 
ATOM   723  C  CB  . CYS A 1 94  ? -15.641 2.038   -6.665  1.00 20.62 ? 112 CYS A CB  1 
ATOM   724  S  SG  . CYS A 1 94  ? -16.337 0.784   -7.735  1.00 22.53 ? 112 CYS A SG  1 
ATOM   725  N  N   . ALA A 1 95  ? -18.074 3.686   -5.305  1.00 20.40 ? 113 ALA A N   1 
ATOM   726  C  CA  . ALA A 1 95  ? -19.487 3.837   -4.953  1.00 21.13 ? 113 ALA A CA  1 
ATOM   727  C  C   . ALA A 1 95  ? -20.132 5.045   -5.633  1.00 21.61 ? 113 ALA A C   1 
ATOM   728  O  O   . ALA A 1 95  ? -21.309 4.989   -6.004  1.00 21.86 ? 113 ALA A O   1 
ATOM   729  C  CB  . ALA A 1 95  ? -19.652 3.915   -3.436  1.00 21.10 ? 113 ALA A CB  1 
ATOM   730  N  N   . LYS A 1 96  ? -19.385 6.136   -5.823  1.00 20.91 ? 114 LYS A N   1 
ATOM   731  C  CA  . LYS A 1 96  ? -19.932 7.297   -6.519  1.00 21.04 ? 114 LYS A CA  1 
ATOM   732  C  C   . LYS A 1 96  ? -20.296 6.954   -7.956  1.00 23.30 ? 114 LYS A C   1 
ATOM   733  O  O   . LYS A 1 96  ? -21.299 7.450   -8.482  1.00 24.41 ? 114 LYS A O   1 
ATOM   734  C  CB  . LYS A 1 96  ? -18.905 8.426   -6.479  1.00 22.97 ? 114 LYS A CB  1 
ATOM   735  C  CG  . LYS A 1 96  ? -18.766 9.054   -5.106  1.00 22.83 ? 114 LYS A CG  1 
ATOM   736  C  CD  . LYS A 1 96  ? -17.733 10.171  -5.139  1.00 26.27 ? 114 LYS A CD  1 
ATOM   737  C  CE  . LYS A 1 96  ? -17.745 10.972  -3.853  1.00 27.66 ? 114 LYS A CE  1 
ATOM   738  N  NZ  . LYS A 1 96  ? -16.534 11.834  -3.736  1.00 32.87 ? 114 LYS A NZ  1 
ATOM   739  N  N   . LYS A 1 97  ? -19.492 6.113   -8.615  1.00 21.88 ? 115 LYS A N   1 
ATOM   740  C  CA  . LYS A 1 97  ? -19.825 5.682   -9.969  1.00 22.04 ? 115 LYS A CA  1 
ATOM   741  C  C   . LYS A 1 97  ? -21.068 4.796   -9.977  1.00 23.92 ? 115 LYS A C   1 
ATOM   742  O  O   . LYS A 1 97  ? -21.933 4.930   -10.855 1.00 26.02 ? 115 LYS A O   1 
ATOM   743  C  CB  . LYS A 1 97  ? -18.641 4.926   -10.573 1.00 24.36 ? 115 LYS A CB  1 
ATOM   744  C  CG  . LYS A 1 97  ? -17.533 5.825   -11.077 1.00 33.63 ? 115 LYS A CG  1 
ATOM   745  C  CD  . LYS A 1 97  ? -16.619 5.086   -12.042 1.00 36.98 ? 115 LYS A CD  1 
ATOM   746  C  CE  . LYS A 1 97  ? -15.379 5.916   -12.347 1.00 40.29 ? 115 LYS A CE  1 
ATOM   747  N  NZ  . LYS A 1 97  ? -14.243 5.595   -11.438 1.00 42.07 ? 115 LYS A NZ  1 
ATOM   748  N  N   . ILE A 1 98  ? -21.170 3.875   -9.019  1.00 20.79 ? 116 ILE A N   1 
ATOM   749  C  CA  . ILE A 1 98  ? -22.315 2.967   -8.963  1.00 21.04 ? 116 ILE A CA  1 
ATOM   750  C  C   . ILE A 1 98  ? -23.617 3.742   -8.788  1.00 22.02 ? 116 ILE A C   1 
ATOM   751  O  O   . ILE A 1 98  ? -24.601 3.508   -9.500  1.00 22.48 ? 116 ILE A O   1 
ATOM   752  C  CB  . ILE A 1 98  ? -22.104 1.923   -7.849  1.00 22.46 ? 116 ILE A CB  1 
ATOM   753  C  CG1 . ILE A 1 98  ? -20.834 1.106   -8.126  1.00 20.96 ? 116 ILE A CG1 1 
ATOM   754  C  CG2 . ILE A 1 98  ? -23.311 1.007   -7.726  1.00 21.32 ? 116 ILE A CG2 1 
ATOM   755  C  CD1 . ILE A 1 98  ? -20.458 0.147   -6.992  1.00 23.26 ? 116 ILE A CD1 1 
ATOM   756  N  N   . VAL A 1 99  ? -23.648 4.659   -7.819  1.00 21.16 ? 117 VAL A N   1 
ATOM   757  C  CA  . VAL A 1 99  ? -24.877 5.355   -7.470  1.00 22.45 ? 117 VAL A CA  1 
ATOM   758  C  C   . VAL A 1 99  ? -25.306 6.306   -8.572  1.00 26.13 ? 117 VAL A C   1 
ATOM   759  O  O   . VAL A 1 99  ? -26.475 6.694   -8.623  1.00 27.03 ? 117 VAL A O   1 
ATOM   760  C  CB  . VAL A 1 99  ? -24.732 6.011   -6.081  1.00 20.86 ? 117 VAL A CB  1 
ATOM   761  C  CG1 . VAL A 1 99  ? -23.898 7.292   -6.154  1.00 22.19 ? 117 VAL A CG1 1 
ATOM   762  C  CG2 . VAL A 1 99  ? -26.100 6.285   -5.434  1.00 24.16 ? 117 VAL A CG2 1 
ATOM   763  N  N   . SER A 1 100 ? -24.394 6.664   -9.474  1.00 24.77 ? 118 SER A N   1 
ATOM   764  C  CA  . SER A 1 100 ? -24.680 7.554   -10.590 1.00 28.27 ? 118 SER A CA  1 
ATOM   765  C  C   . SER A 1 100 ? -25.186 6.819   -11.821 1.00 29.65 ? 118 SER A C   1 
ATOM   766  O  O   . SER A 1 100 ? -25.533 7.470   -12.812 1.00 33.30 ? 118 SER A O   1 
ATOM   767  C  CB  . SER A 1 100 ? -23.417 8.329   -10.959 1.00 28.09 ? 118 SER A CB  1 
ATOM   768  O  OG  . SER A 1 100 ? -22.986 9.113   -9.871  1.00 32.08 ? 118 SER A OG  1 
ATOM   769  N  N   . ASP A 1 101 ? -25.238 5.491   -11.792 1.00 28.24 ? 119 ASP A N   1 
ATOM   770  C  CA  . ASP A 1 101 ? -25.472 4.732   -13.013 1.00 30.25 ? 119 ASP A CA  1 
ATOM   771  C  C   . ASP A 1 101 ? -26.939 4.618   -13.407 1.00 33.57 ? 119 ASP A C   1 
ATOM   772  O  O   . ASP A 1 101 ? -27.234 3.963   -14.413 1.00 36.09 ? 119 ASP A O   1 
ATOM   773  C  CB  . ASP A 1 101 ? -24.774 3.366   -12.972 1.00 30.05 ? 119 ASP A CB  1 
ATOM   774  C  CG  . ASP A 1 101 ? -25.521 2.326   -12.142 1.00 34.87 ? 119 ASP A CG  1 
ATOM   775  O  OD1 . ASP A 1 101 ? -26.658 2.579   -11.673 1.00 33.34 ? 119 ASP A OD1 1 
ATOM   776  O  OD2 . ASP A 1 101 ? -24.964 1.221   -11.966 1.00 37.04 ? 119 ASP A OD2 1 
ATOM   777  N  N   . GLY A 1 102 ? -27.861 5.204   -12.640 1.00 33.06 ? 120 GLY A N   1 
ATOM   778  C  CA  . GLY A 1 102 ? -29.275 5.216   -12.980 1.00 32.23 ? 120 GLY A CA  1 
ATOM   779  C  C   . GLY A 1 102 ? -30.180 4.593   -11.932 1.00 34.09 ? 120 GLY A C   1 
ATOM   780  O  O   . GLY A 1 102 ? -31.338 5.003   -11.808 1.00 31.83 ? 120 GLY A O   1 
ATOM   781  N  N   . ASN A 1 103 ? -29.679 3.613   -11.177 1.00 29.61 ? 121 ASN A N   1 
ATOM   782  C  CA  . ASN A 1 103 ? -30.497 2.908   -10.193 1.00 28.24 ? 121 ASN A CA  1 
ATOM   783  C  C   . ASN A 1 103 ? -30.288 3.399   -8.764  1.00 22.49 ? 121 ASN A C   1 
ATOM   784  O  O   . ASN A 1 103 ? -30.919 2.867   -7.840  1.00 23.59 ? 121 ASN A O   1 
ATOM   785  C  CB  . ASN A 1 103 ? -30.314 1.397   -10.315 1.00 33.42 ? 121 ASN A CB  1 
ATOM   786  C  CG  . ASN A 1 103 ? -30.512 0.920   -11.733 1.00 40.69 ? 121 ASN A CG  1 
ATOM   787  O  OD1 . ASN A 1 103 ? -31.593 1.083   -12.297 1.00 43.36 ? 121 ASN A OD1 1 
ATOM   788  N  ND2 . ASN A 1 103 ? -29.474 0.333   -12.321 1.00 44.55 ? 121 ASN A ND2 1 
ATOM   789  N  N   . GLY A 1 104 ? -29.474 4.433   -8.579  1.00 21.84 ? 122 GLY A N   1 
ATOM   790  C  CA  . GLY A 1 104 ? -29.281 5.020   -7.271  1.00 22.41 ? 122 GLY A CA  1 
ATOM   791  C  C   . GLY A 1 104 ? -28.763 3.983   -6.296  1.00 21.42 ? 122 GLY A C   1 
ATOM   792  O  O   . GLY A 1 104 ? -28.001 3.074   -6.656  1.00 22.16 ? 122 GLY A O   1 
ATOM   793  N  N   . MET A 1 105 ? -29.206 4.087   -5.052  1.00 18.18 ? 123 MET A N   1 
ATOM   794  C  CA  . MET A 1 105 ? -28.705 3.169   -4.026  1.00 18.21 ? 123 MET A CA  1 
ATOM   795  C  C   . MET A 1 105 ? -29.405 1.822   -4.069  1.00 19.33 ? 123 MET A C   1 
ATOM   796  O  O   . MET A 1 105 ? -29.069 0.935   -3.275  1.00 18.79 ? 123 MET A O   1 
ATOM   797  C  CB  . MET A 1 105 ? -28.861 3.820   -2.650  1.00 16.53 ? 123 MET A CB  1 
ATOM   798  C  CG  . MET A 1 105 ? -27.813 4.925   -2.411  1.00 18.01 ? 123 MET A CG  1 
ATOM   799  S  SD  . MET A 1 105 ? -27.466 5.311   -0.682  1.00 20.78 ? 123 MET A SD  1 
ATOM   800  C  CE  . MET A 1 105 ? -26.635 3.828   -0.102  1.00 21.99 ? 123 MET A CE  1 
ATOM   801  N  N   . ASN A 1 106 ? -30.365 1.633   -4.980  1.00 19.44 ? 124 ASN A N   1 
ATOM   802  C  CA  . ASN A 1 106 ? -30.989 0.321   -5.107  1.00 21.15 ? 124 ASN A CA  1 
ATOM   803  C  C   . ASN A 1 106 ? -30.007 -0.743  -5.567  1.00 21.85 ? 124 ASN A C   1 
ATOM   804  O  O   . ASN A 1 106 ? -30.328 -1.935  -5.473  1.00 22.85 ? 124 ASN A O   1 
ATOM   805  C  CB  . ASN A 1 106 ? -32.182 0.394   -6.061  1.00 22.29 ? 124 ASN A CB  1 
ATOM   806  C  CG  . ASN A 1 106 ? -33.279 1.271   -5.527  1.00 21.11 ? 124 ASN A CG  1 
ATOM   807  O  OD1 . ASN A 1 106 ? -33.913 0.957   -4.524  1.00 23.75 ? 124 ASN A OD1 1 
ATOM   808  N  ND2 . ASN A 1 106 ? -33.504 2.389   -6.189  1.00 22.55 ? 124 ASN A ND2 1 
ATOM   809  N  N   . ALA A 1 107 ? -28.817 -0.351  -6.038  1.00 20.09 ? 125 ALA A N   1 
ATOM   810  C  CA  . ALA A 1 107 ? -27.777 -1.329  -6.354  1.00 21.80 ? 125 ALA A CA  1 
ATOM   811  C  C   . ALA A 1 107 ? -27.332 -2.132  -5.136  1.00 24.97 ? 125 ALA A C   1 
ATOM   812  O  O   . ALA A 1 107 ? -26.782 -3.223  -5.300  1.00 25.33 ? 125 ALA A O   1 
ATOM   813  C  CB  . ALA A 1 107 ? -26.572 -0.623  -6.967  1.00 24.63 ? 125 ALA A CB  1 
ATOM   814  N  N   . TRP A 1 108 ? -27.540 -1.617  -3.929  1.00 20.72 ? 126 TRP A N   1 
ATOM   815  C  CA  . TRP A 1 108 ? -27.170 -2.285  -2.685  1.00 19.69 ? 126 TRP A CA  1 
ATOM   816  C  C   . TRP A 1 108 ? -28.413 -2.943  -2.109  1.00 20.29 ? 126 TRP A C   1 
ATOM   817  O  O   . TRP A 1 108 ? -29.326 -2.261  -1.631  1.00 19.62 ? 126 TRP A O   1 
ATOM   818  C  CB  . TRP A 1 108 ? -26.547 -1.303  -1.694  1.00 18.72 ? 126 TRP A CB  1 
ATOM   819  C  CG  . TRP A 1 108 ? -25.163 -0.907  -2.082  1.00 20.29 ? 126 TRP A CG  1 
ATOM   820  C  CD1 . TRP A 1 108 ? -24.023 -1.624  -1.834  1.00 21.75 ? 126 TRP A CD1 1 
ATOM   821  C  CD2 . TRP A 1 108 ? -24.745 0.274   -2.784  1.00 17.05 ? 126 TRP A CD2 1 
ATOM   822  N  NE1 . TRP A 1 108 ? -22.936 -0.960  -2.322  1.00 21.52 ? 126 TRP A NE1 1 
ATOM   823  C  CE2 . TRP A 1 108 ? -23.346 0.203   -2.921  1.00 18.82 ? 126 TRP A CE2 1 
ATOM   824  C  CE3 . TRP A 1 108 ? -25.414 1.383   -3.305  1.00 20.06 ? 126 TRP A CE3 1 
ATOM   825  C  CZ2 . TRP A 1 108 ? -22.602 1.193   -3.549  1.00 19.68 ? 126 TRP A CZ2 1 
ATOM   826  C  CZ3 . TRP A 1 108 ? -24.672 2.366   -3.940  1.00 22.86 ? 126 TRP A CZ3 1 
ATOM   827  C  CH2 . TRP A 1 108 ? -23.283 2.263   -4.060  1.00 20.74 ? 126 TRP A CH2 1 
ATOM   828  N  N   . VAL A 1 109 ? -28.440 -4.273  -2.146  1.00 21.08 ? 127 VAL A N   1 
ATOM   829  C  CA  . VAL A 1 109 ? -29.635 -4.999  -1.738  1.00 22.94 ? 127 VAL A CA  1 
ATOM   830  C  C   . VAL A 1 109 ? -29.975 -4.725  -0.278  1.00 21.08 ? 127 VAL A C   1 
ATOM   831  O  O   . VAL A 1 109 ? -31.152 -4.548  0.073   1.00 20.28 ? 127 VAL A O   1 
ATOM   832  C  CB  . VAL A 1 109 ? -29.484 -6.503  -2.045  1.00 24.35 ? 127 VAL A CB  1 
ATOM   833  C  CG1 . VAL A 1 109 ? -28.276 -7.072  -1.339  1.00 28.05 ? 127 VAL A CG1 1 
ATOM   834  C  CG2 . VAL A 1 109 ? -30.752 -7.260  -1.663  1.00 27.63 ? 127 VAL A CG2 1 
ATOM   835  N  N   . ALA A 1 110 ? -28.961 -4.628  0.583   1.00 20.22 ? 128 ALA A N   1 
ATOM   836  C  CA  . ALA A 1 110 ? -29.231 -4.391  1.994   1.00 19.60 ? 128 ALA A CA  1 
ATOM   837  C  C   . ALA A 1 110 ? -29.771 -2.990  2.222   1.00 21.13 ? 128 ALA A C   1 
ATOM   838  O  O   . ALA A 1 110 ? -30.583 -2.781  3.134   1.00 22.33 ? 128 ALA A O   1 
ATOM   839  C  CB  . ALA A 1 110 ? -27.977 -4.644  2.836   1.00 22.70 ? 128 ALA A CB  1 
ATOM   840  N  N   . TRP A 1 111 ? -29.355 -2.025  1.397   1.00 19.87 ? 129 TRP A N   1 
ATOM   841  C  CA  . TRP A 1 111 ? -29.939 -0.694  1.502   1.00 17.61 ? 129 TRP A CA  1 
ATOM   842  C  C   . TRP A 1 111 ? -31.416 -0.723  1.146   1.00 21.02 ? 129 TRP A C   1 
ATOM   843  O  O   . TRP A 1 111 ? -32.251 -0.178  1.873   1.00 19.60 ? 129 TRP A O   1 
ATOM   844  C  CB  . TRP A 1 111 ? -29.192 0.320   0.626   1.00 17.90 ? 129 TRP A CB  1 
ATOM   845  C  CG  . TRP A 1 111 ? -29.836 1.685   0.731   1.00 18.01 ? 129 TRP A CG  1 
ATOM   846  C  CD1 . TRP A 1 111 ? -29.624 2.620   1.716   1.00 20.95 ? 129 TRP A CD1 1 
ATOM   847  C  CD2 . TRP A 1 111 ? -30.835 2.236   -0.134  1.00 17.77 ? 129 TRP A CD2 1 
ATOM   848  N  NE1 . TRP A 1 111 ? -30.418 3.718   1.499   1.00 20.79 ? 129 TRP A NE1 1 
ATOM   849  C  CE2 . TRP A 1 111 ? -31.166 3.514   0.373   1.00 17.95 ? 129 TRP A CE2 1 
ATOM   850  C  CE3 . TRP A 1 111 ? -31.465 1.788   -1.304  1.00 18.69 ? 129 TRP A CE3 1 
ATOM   851  C  CZ2 . TRP A 1 111 ? -32.104 4.342   -0.242  1.00 20.70 ? 129 TRP A CZ2 1 
ATOM   852  C  CZ3 . TRP A 1 111 ? -32.387 2.621   -1.923  1.00 21.92 ? 129 TRP A CZ3 1 
ATOM   853  C  CH2 . TRP A 1 111 ? -32.699 3.881   -1.390  1.00 21.17 ? 129 TRP A CH2 1 
ATOM   854  N  N   . ARG A 1 112 ? -31.761 -1.349  0.020   1.00 20.20 ? 130 ARG A N   1 
ATOM   855  C  CA  . ARG A 1 112 ? -33.156 -1.417  -0.395  1.00 20.70 ? 130 ARG A CA  1 
ATOM   856  C  C   . ARG A 1 112 ? -34.017 -2.107  0.660   1.00 21.22 ? 130 ARG A C   1 
ATOM   857  O  O   . ARG A 1 112 ? -35.125 -1.649  0.961   1.00 22.58 ? 130 ARG A O   1 
ATOM   858  C  CB  . ARG A 1 112 ? -33.227 -2.136  -1.745  1.00 24.46 ? 130 ARG A CB  1 
ATOM   859  C  CG  . ARG A 1 112 ? -34.582 -2.164  -2.394  1.00 30.75 ? 130 ARG A CG  1 
ATOM   860  C  CD  . ARG A 1 112 ? -34.437 -2.643  -3.844  1.00 35.94 ? 130 ARG A CD  1 
ATOM   861  N  NE  . ARG A 1 112 ? -34.369 -4.097  -3.948  1.00 40.10 ? 130 ARG A NE  1 
ATOM   862  C  CZ  . ARG A 1 112 ? -33.285 -4.789  -4.277  1.00 36.49 ? 130 ARG A CZ  1 
ATOM   863  N  NH1 . ARG A 1 112 ? -32.140 -4.193  -4.567  1.00 39.24 ? 130 ARG A NH1 1 
ATOM   864  N  NH2 . ARG A 1 112 ? -33.355 -6.118  -4.325  1.00 38.27 ? 130 ARG A NH2 1 
ATOM   865  N  N   . ASN A 1 113 ? -33.504 -3.177  1.275   1.00 21.21 ? 131 ASN A N   1 
ATOM   866  C  CA  . ASN A 1 113 ? -34.335 -3.988  2.161   1.00 21.97 ? 131 ASN A CA  1 
ATOM   867  C  C   . ASN A 1 113 ? -34.294 -3.571  3.617   1.00 22.56 ? 131 ASN A C   1 
ATOM   868  O  O   . ASN A 1 113 ? -35.217 -3.918  4.366   1.00 24.19 ? 131 ASN A O   1 
ATOM   869  C  CB  . ASN A 1 113 ? -33.940 -5.456  2.047   1.00 19.85 ? 131 ASN A CB  1 
ATOM   870  C  CG  . ASN A 1 113 ? -34.346 -6.060  0.731   1.00 21.40 ? 131 ASN A CG  1 
ATOM   871  O  OD1 . ASN A 1 113 ? -35.329 -5.651  0.117   1.00 25.19 ? 131 ASN A OD1 1 
ATOM   872  N  ND2 . ASN A 1 113 ? -33.565 -7.020  0.268   1.00 23.15 ? 131 ASN A ND2 1 
ATOM   873  N  N   . ARG A 1 114 ? -33.272 -2.832  4.041   1.00 20.69 ? 132 ARG A N   1 
ATOM   874  C  CA  . ARG A 1 114 ? -33.108 -2.519  5.455   1.00 22.35 ? 132 ARG A CA  1 
ATOM   875  C  C   . ARG A 1 114 ? -32.934 -1.044  5.772   1.00 22.87 ? 132 ARG A C   1 
ATOM   876  O  O   . ARG A 1 114 ? -33.035 -0.678  6.950   1.00 25.42 ? 132 ARG A O   1 
ATOM   877  C  CB  . ARG A 1 114 ? -31.949 -3.328  6.043   1.00 22.77 ? 132 ARG A CB  1 
ATOM   878  C  CG  . ARG A 1 114 ? -32.120 -4.813  5.697   1.00 23.63 ? 132 ARG A CG  1 
ATOM   879  C  CD  . ARG A 1 114 ? -31.031 -5.631  6.280   1.00 23.12 ? 132 ARG A CD  1 
ATOM   880  N  NE  . ARG A 1 114 ? -31.133 -5.763  7.725   1.00 22.20 ? 132 ARG A NE  1 
ATOM   881  C  CZ  . ARG A 1 114 ? -30.293 -6.506  8.424   1.00 23.63 ? 132 ARG A CZ  1 
ATOM   882  N  NH1 . ARG A 1 114 ? -29.310 -7.158  7.834   1.00 23.54 ? 132 ARG A NH1 1 
ATOM   883  N  NH2 . ARG A 1 114 ? -30.437 -6.581  9.742   1.00 24.13 ? 132 ARG A NH2 1 
ATOM   884  N  N   . CYS A 1 115 ? -32.711 -0.190  4.778   1.00 19.77 ? 133 CYS A N   1 
ATOM   885  C  CA  . CYS A 1 115 ? -32.496 1.232   5.014   1.00 19.50 ? 133 CYS A CA  1 
ATOM   886  C  C   . CYS A 1 115 ? -33.524 2.106   4.326   1.00 20.50 ? 133 CYS A C   1 
ATOM   887  O  O   . CYS A 1 115 ? -34.009 3.079   4.926   1.00 22.67 ? 133 CYS A O   1 
ATOM   888  C  CB  . CYS A 1 115 ? -31.104 1.645   4.513   1.00 19.10 ? 133 CYS A CB  1 
ATOM   889  S  SG  . CYS A 1 115 ? -29.730 0.724   5.276   1.00 19.85 ? 133 CYS A SG  1 
ATOM   890  N  N   . LYS A 1 116 ? -33.838 1.802   3.066   1.00 19.97 ? 134 LYS A N   1 
ATOM   891  C  CA  . LYS A 1 116 ? -34.805 2.579   2.299   1.00 21.20 ? 134 LYS A CA  1 
ATOM   892  C  C   . LYS A 1 116 ? -36.112 2.696   3.067   1.00 22.95 ? 134 LYS A C   1 
ATOM   893  O  O   . LYS A 1 116 ? -36.676 1.694   3.515   1.00 24.09 ? 134 LYS A O   1 
ATOM   894  C  CB  . LYS A 1 116 ? -35.057 1.862   0.973   1.00 21.55 ? 134 LYS A CB  1 
ATOM   895  C  CG  . LYS A 1 116 ? -35.845 2.668   -0.051  1.00 22.08 ? 134 LYS A CG  1 
ATOM   896  C  CD  . LYS A 1 116 ? -35.968 1.870   -1.340  1.00 22.03 ? 134 LYS A CD  1 
ATOM   897  C  CE  . LYS A 1 116 ? -36.658 2.659   -2.451  1.00 24.14 ? 134 LYS A CE  1 
ATOM   898  N  NZ  . LYS A 1 116 ? -36.600 1.894   -3.746  1.00 25.87 ? 134 LYS A NZ  1 
ATOM   899  N  N   . GLY A 1 117 ? -36.582 3.931   3.226   1.00 26.37 ? 135 GLY A N   1 
ATOM   900  C  CA  . GLY A 1 117 ? -37.853 4.168   3.879   1.00 28.32 ? 135 GLY A CA  1 
ATOM   901  C  C   . GLY A 1 117 ? -37.825 4.116   5.390   1.00 30.30 ? 135 GLY A C   1 
ATOM   902  O  O   . GLY A 1 117 ? -38.893 4.079   6.015   1.00 34.74 ? 135 GLY A O   1 
ATOM   903  N  N   . THR A 1 118 ? -36.650 4.098   5.999   1.00 27.60 ? 136 THR A N   1 
ATOM   904  C  CA  . THR A 1 118 ? -36.521 4.163   7.444   1.00 26.01 ? 136 THR A CA  1 
ATOM   905  C  C   . THR A 1 118 ? -35.909 5.502   7.832   1.00 26.81 ? 136 THR A C   1 
ATOM   906  O  O   . THR A 1 118 ? -35.505 6.295   6.983   1.00 26.26 ? 136 THR A O   1 
ATOM   907  C  CB  . THR A 1 118 ? -35.649 3.016   7.966   1.00 27.77 ? 136 THR A CB  1 
ATOM   908  O  OG1 . THR A 1 118 ? -34.275 3.265   7.622   1.00 25.46 ? 136 THR A OG1 1 
ATOM   909  C  CG2 . THR A 1 118 ? -36.082 1.681   7.368   1.00 28.42 ? 136 THR A CG2 1 
ATOM   910  N  N   . ASP A 1 119 ? -35.850 5.757   9.140   1.00 30.71 ? 137 ASP A N   1 
ATOM   911  C  CA  . ASP A 1 119 ? -35.222 6.978   9.653   1.00 29.42 ? 137 ASP A CA  1 
ATOM   912  C  C   . ASP A 1 119 ? -33.707 6.789   9.612   1.00 31.39 ? 137 ASP A C   1 
ATOM   913  O  O   . ASP A 1 119 ? -33.056 6.446   10.601  1.00 32.57 ? 137 ASP A O   1 
ATOM   914  C  CB  . ASP A 1 119 ? -35.700 7.274   11.070  1.00 34.05 ? 137 ASP A CB  1 
ATOM   915  C  CG  . ASP A 1 119 ? -35.064 8.536   11.658  1.00 39.22 ? 137 ASP A CG  1 
ATOM   916  O  OD1 . ASP A 1 119 ? -34.428 9.312   10.906  1.00 39.70 ? 137 ASP A OD1 1 
ATOM   917  O  OD2 . ASP A 1 119 ? -35.186 8.740   12.887  1.00 44.72 ? 137 ASP A OD2 1 
ATOM   918  N  N   . VAL A 1 120 ? -33.125 7.040   8.437   1.00 28.90 ? 138 VAL A N   1 
ATOM   919  C  CA  . VAL A 1 120 ? -31.690 6.800   8.291   1.00 26.84 ? 138 VAL A CA  1 
ATOM   920  C  C   . VAL A 1 120 ? -30.859 7.825   9.053   1.00 29.81 ? 138 VAL A C   1 
ATOM   921  O  O   . VAL A 1 120 ? -29.679 7.578   9.334   1.00 27.64 ? 138 VAL A O   1 
ATOM   922  C  CB  . VAL A 1 120 ? -31.266 6.728   6.812   1.00 26.93 ? 138 VAL A CB  1 
ATOM   923  C  CG1 . VAL A 1 120 ? -31.791 5.448   6.181   1.00 27.89 ? 138 VAL A CG1 1 
ATOM   924  C  CG2 . VAL A 1 120 ? -31.736 7.950   6.047   1.00 25.34 ? 138 VAL A CG2 1 
ATOM   925  N  N   . GLN A 1 121 ? -31.435 8.983   9.385   1.00 29.09 ? 139 GLN A N   1 
ATOM   926  C  CA  . GLN A 1 121 ? -30.702 9.987   10.143  1.00 29.93 ? 139 GLN A CA  1 
ATOM   927  C  C   . GLN A 1 121 ? -30.281 9.452   11.506  1.00 28.67 ? 139 GLN A C   1 
ATOM   928  O  O   . GLN A 1 121 ? -29.291 9.930   12.072  1.00 30.13 ? 139 GLN A O   1 
ATOM   929  C  CB  . GLN A 1 121 ? -31.559 11.262  10.238  1.00 34.24 ? 139 GLN A CB  1 
ATOM   930  C  CG  . GLN A 1 121 ? -30.845 12.554  10.671  1.00 42.35 ? 139 GLN A CG  1 
ATOM   931  C  CD  . GLN A 1 121 ? -30.477 12.597  12.146  1.00 45.44 ? 139 GLN A CD  1 
ATOM   932  O  OE1 . GLN A 1 121 ? -31.244 12.149  13.003  1.00 48.33 ? 139 GLN A OE1 1 
ATOM   933  N  NE2 . GLN A 1 121 ? -29.305 13.158  12.453  1.00 44.96 ? 139 GLN A NE2 1 
ATOM   934  N  N   . ALA A 1 122 ? -30.985 8.443   12.029  1.00 28.07 ? 140 ALA A N   1 
ATOM   935  C  CA  . ALA A 1 122 ? -30.580 7.825   13.288  1.00 29.82 ? 140 ALA A CA  1 
ATOM   936  C  C   . ALA A 1 122 ? -29.147 7.304   13.232  1.00 29.18 ? 140 ALA A C   1 
ATOM   937  O  O   . ALA A 1 122 ? -28.470 7.232   14.264  1.00 28.23 ? 140 ALA A O   1 
ATOM   938  C  CB  . ALA A 1 122 ? -31.544 6.697   13.655  1.00 34.75 ? 140 ALA A CB  1 
ATOM   939  N  N   . TRP A 1 123 ? -28.662 6.944   12.040  1.00 26.92 ? 141 TRP A N   1 
ATOM   940  C  CA  . TRP A 1 123 ? -27.336 6.351   11.928  1.00 26.65 ? 141 TRP A CA  1 
ATOM   941  C  C   . TRP A 1 123 ? -26.216 7.357   12.142  1.00 24.71 ? 141 TRP A C   1 
ATOM   942  O  O   . TRP A 1 123 ? -25.070 6.950   12.361  1.00 27.79 ? 141 TRP A O   1 
ATOM   943  C  CB  . TRP A 1 123 ? -27.187 5.647   10.576  1.00 23.53 ? 141 TRP A CB  1 
ATOM   944  C  CG  . TRP A 1 123 ? -27.983 4.387   10.545  1.00 24.38 ? 141 TRP A CG  1 
ATOM   945  C  CD1 . TRP A 1 123 ? -29.206 4.204   9.975   1.00 26.63 ? 141 TRP A CD1 1 
ATOM   946  C  CD2 . TRP A 1 123 ? -27.629 3.141   11.148  1.00 23.38 ? 141 TRP A CD2 1 
ATOM   947  N  NE1 . TRP A 1 123 ? -29.635 2.916   10.183  1.00 27.52 ? 141 TRP A NE1 1 
ATOM   948  C  CE2 . TRP A 1 123 ? -28.680 2.240   10.895  1.00 25.87 ? 141 TRP A CE2 1 
ATOM   949  C  CE3 . TRP A 1 123 ? -26.519 2.699   11.874  1.00 25.05 ? 141 TRP A CE3 1 
ATOM   950  C  CZ2 . TRP A 1 123 ? -28.653 0.916   11.340  1.00 27.32 ? 141 TRP A CZ2 1 
ATOM   951  C  CZ3 . TRP A 1 123 ? -26.495 1.389   12.324  1.00 27.67 ? 141 TRP A CZ3 1 
ATOM   952  C  CH2 . TRP A 1 123 ? -27.559 0.513   12.055  1.00 29.30 ? 141 TRP A CH2 1 
ATOM   953  N  N   . ILE A 1 124 ? -26.503 8.654   12.092  1.00 25.08 ? 142 ILE A N   1 
ATOM   954  C  CA  . ILE A 1 124 ? -25.483 9.662   12.352  1.00 26.44 ? 142 ILE A CA  1 
ATOM   955  C  C   . ILE A 1 124 ? -25.770 10.459  13.611  1.00 28.65 ? 142 ILE A C   1 
ATOM   956  O  O   . ILE A 1 124 ? -24.990 11.362  13.958  1.00 28.65 ? 142 ILE A O   1 
ATOM   957  C  CB  . ILE A 1 124 ? -25.240 10.576  11.138  1.00 27.44 ? 142 ILE A CB  1 
ATOM   958  C  CG1 . ILE A 1 124 ? -26.545 11.239  10.702  1.00 29.96 ? 142 ILE A CG1 1 
ATOM   959  C  CG2 . ILE A 1 124 ? -24.629 9.749   9.982   1.00 28.73 ? 142 ILE A CG2 1 
ATOM   960  C  CD1 . ILE A 1 124 ? -26.350 12.317  9.649   1.00 35.73 ? 142 ILE A CD1 1 
ATOM   961  N  N   . ARG A 1 125 ? -26.846 10.132  14.318  1.00 28.98 ? 143 ARG A N   1 
ATOM   962  C  CA  . ARG A 1 125 ? -27.213 10.837  15.540  1.00 30.88 ? 143 ARG A CA  1 
ATOM   963  C  C   . ARG A 1 125 ? -26.126 10.673  16.593  1.00 31.73 ? 143 ARG A C   1 
ATOM   964  O  O   . ARG A 1 125 ? -25.572 9.585   16.781  1.00 32.81 ? 143 ARG A O   1 
ATOM   965  C  CB  . ARG A 1 125 ? -28.527 10.270  16.074  1.00 37.33 ? 143 ARG A CB  1 
ATOM   966  C  CG  . ARG A 1 125 ? -29.421 11.293  16.746  1.00 43.87 ? 143 ARG A CG  1 
ATOM   967  C  CD  . ARG A 1 125 ? -30.862 10.796  16.826  1.00 44.97 ? 143 ARG A CD  1 
ATOM   968  N  NE  . ARG A 1 125 ? -31.608 11.149  15.621  1.00 46.01 ? 143 ARG A NE  1 
ATOM   969  C  CZ  . ARG A 1 125 ? -32.493 10.356  15.029  1.00 45.39 ? 143 ARG A CZ  1 
ATOM   970  N  NH1 . ARG A 1 125 ? -32.818 9.179   15.540  1.00 48.45 ? 143 ARG A NH1 1 
ATOM   971  N  NH2 . ARG A 1 125 ? -33.070 10.757  13.898  1.00 45.64 ? 143 ARG A NH2 1 
ATOM   972  N  N   . GLY A 1 126 ? -25.825 11.765  17.293  1.00 33.25 ? 144 GLY A N   1 
ATOM   973  C  CA  . GLY A 1 126 ? -24.798 11.753  18.309  1.00 33.86 ? 144 GLY A CA  1 
ATOM   974  C  C   . GLY A 1 126 ? -23.387 11.944  17.804  1.00 36.68 ? 144 GLY A C   1 
ATOM   975  O  O   . GLY A 1 126 ? -22.470 12.097  18.622  1.00 41.14 ? 144 GLY A O   1 
ATOM   976  N  N   . CYS A 1 127 ? -23.168 11.956  16.494  1.00 32.12 ? 145 CYS A N   1 
ATOM   977  C  CA  . CYS A 1 127 ? -21.819 12.085  15.954  1.00 32.65 ? 145 CYS A CA  1 
ATOM   978  C  C   . CYS A 1 127 ? -21.426 13.550  15.785  1.00 33.94 ? 145 CYS A C   1 
ATOM   979  O  O   . CYS A 1 127 ? -22.219 14.374  15.323  1.00 33.12 ? 145 CYS A O   1 
ATOM   980  C  CB  . CYS A 1 127 ? -21.706 11.369  14.604  1.00 32.52 ? 145 CYS A CB  1 
ATOM   981  S  SG  . CYS A 1 127 ? -22.230 9.620   14.600  1.00 29.77 ? 145 CYS A SG  1 
ATOM   982  N  N   . ARG A 1 128 ? -20.188 13.865  16.153  1.00 37.49 ? 146 ARG A N   1 
ATOM   983  C  CA  . ARG A 1 128 ? -19.587 15.157  15.830  1.00 37.32 ? 146 ARG A CA  1 
ATOM   984  C  C   . ARG A 1 128 ? -19.165 15.165  14.370  1.00 39.52 ? 146 ARG A C   1 
ATOM   985  O  O   . ARG A 1 128 ? -18.184 14.516  13.995  1.00 43.52 ? 146 ARG A O   1 
ATOM   986  C  CB  . ARG A 1 128 ? -18.413 15.438  16.764  1.00 40.13 ? 146 ARG A CB  1 
ATOM   987  C  CG  . ARG A 1 128 ? -18.632 16.578  17.746  1.00 43.28 ? 146 ARG A CG  1 
ATOM   988  C  CD  . ARG A 1 128 ? -17.310 16.949  18.397  1.00 42.91 ? 146 ARG A CD  1 
ATOM   989  N  NE  . ARG A 1 128 ? -16.527 15.730  18.562  1.00 45.62 ? 146 ARG A NE  1 
ATOM   990  C  CZ  . ARG A 1 128 ? -16.270 15.149  19.729  1.00 46.08 ? 146 ARG A CZ  1 
ATOM   991  N  NH1 . ARG A 1 128 ? -16.561 15.741  20.880  1.00 49.73 ? 146 ARG A NH1 1 
ATOM   992  N  NH2 . ARG A 1 128 ? -15.702 13.945  19.744  1.00 48.51 ? 146 ARG A NH2 1 
ATOM   993  N  N   . LEU A 1 129 ? -19.907 15.894  13.544  1.00 43.27 ? 147 LEU A N   1 
ATOM   994  C  CA  . LEU A 1 129 ? -19.600 15.984  12.121  1.00 45.16 ? 147 LEU A CA  1 
ATOM   995  C  C   . LEU A 1 129 ? -19.472 17.427  11.654  1.00 49.64 ? 147 LEU A C   1 
ATOM   996  O  O   . LEU A 1 129 ? -18.753 17.702  10.694  1.00 49.78 ? 147 LEU A O   1 
ATOM   997  C  CB  . LEU A 1 129 ? -20.664 15.270  11.285  1.00 43.34 ? 147 LEU A CB  1 
ATOM   998  C  CG  . LEU A 1 129 ? -20.978 13.826  11.663  1.00 40.94 ? 147 LEU A CG  1 
ATOM   999  C  CD1 . LEU A 1 129 ? -22.261 13.372  10.989  1.00 42.70 ? 147 LEU A CD1 1 
ATOM   1000 C  CD2 . LEU A 1 129 ? -19.814 12.925  11.282  1.00 39.92 ? 147 LEU A CD2 1 
ATOM   1001 O  OXT . LEU A 1 129 ? -20.085 18.341  12.213  1.00 52.76 ? 147 LEU A OXT 1 
HETATM 1002 CL CL  . CL  B 2 .   ? -31.714 8.312   -7.150  1.00 29.07 ? 201 CL  A CL  1 
HETATM 1003 CL CL  . CL  C 2 .   ? -29.017 11.337  7.212   1.00 36.63 ? 202 CL  A CL  1 
HETATM 1004 O  O   . HOH D 3 .   ? -35.717 -5.428  -2.660  1.00 39.31 ? 301 HOH A O   1 
HETATM 1005 O  O   . HOH D 3 .   ? -14.547 -7.815  -12.845 1.00 19.78 ? 302 HOH A O   1 
HETATM 1006 O  O   . HOH D 3 .   ? -13.803 -1.299  2.177   1.00 29.69 ? 303 HOH A O   1 
HETATM 1007 O  O   . HOH D 3 .   ? -26.409 -0.332  -10.571 1.00 39.34 ? 304 HOH A O   1 
HETATM 1008 O  O   . HOH D 3 .   ? -10.624 7.074   11.329  1.00 44.03 ? 305 HOH A O   1 
HETATM 1009 O  O   . HOH D 3 .   ? -33.501 4.245   11.882  1.00 51.26 ? 306 HOH A O   1 
HETATM 1010 O  O   . HOH D 3 .   ? -24.705 -7.577  -0.690  1.00 35.74 ? 307 HOH A O   1 
HETATM 1011 O  O   . HOH D 3 .   ? -18.182 -0.883  14.855  1.00 36.26 ? 308 HOH A O   1 
HETATM 1012 O  O   . HOH D 3 .   ? -23.295 -5.844  -3.607  1.00 42.08 ? 309 HOH A O   1 
HETATM 1013 O  O   . HOH D 3 .   ? -28.474 6.936   -10.325 1.00 33.37 ? 310 HOH A O   1 
HETATM 1014 O  O   . HOH D 3 .   ? -27.017 2.175   -9.092  1.00 31.22 ? 311 HOH A O   1 
HETATM 1015 O  O   . HOH D 3 .   ? -9.497  15.409  3.040   1.00 48.75 ? 312 HOH A O   1 
HETATM 1016 O  O   . HOH D 3 .   ? -24.620 14.257  14.189  1.00 37.65 ? 313 HOH A O   1 
HETATM 1017 O  O   . HOH D 3 .   ? -23.593 -10.795 -9.755  1.00 40.86 ? 314 HOH A O   1 
HETATM 1018 O  O   . HOH D 3 .   ? -14.941 -13.857 -7.727  1.00 22.55 ? 315 HOH A O   1 
HETATM 1019 O  O   . HOH D 3 .   ? -33.671 -1.584  9.396   1.00 31.98 ? 316 HOH A O   1 
HETATM 1020 O  O   . HOH D 3 .   ? -25.089 -12.408 -12.706 1.00 39.23 ? 317 HOH A O   1 
HETATM 1021 O  O   . HOH D 3 .   ? -12.117 0.445   2.341   1.00 30.55 ? 318 HOH A O   1 
HETATM 1022 O  O   . HOH D 3 .   ? -13.345 -11.545 4.071   1.00 21.82 ? 319 HOH A O   1 
HETATM 1023 O  O   . HOH D 3 .   ? -32.095 14.555  -1.405  1.00 34.62 ? 320 HOH A O   1 
HETATM 1024 O  O   . HOH D 3 .   ? -6.171  -4.045  0.474   1.00 38.37 ? 321 HOH A O   1 
HETATM 1025 O  O   . HOH D 3 .   ? -35.548 6.940   4.301   1.00 35.79 ? 322 HOH A O   1 
HETATM 1026 O  O   . HOH D 3 .   ? -10.848 -5.688  9.571   1.00 22.11 ? 323 HOH A O   1 
HETATM 1027 O  O   . HOH D 3 .   ? -12.912 8.888   10.551  1.00 37.00 ? 324 HOH A O   1 
HETATM 1028 O  O   . HOH D 3 .   ? -14.571 -14.571 0.000   0.50 31.33 ? 325 HOH A O   1 
HETATM 1029 O  O   . HOH D 3 .   ? -8.369  3.345   -0.700  1.00 30.30 ? 326 HOH A O   1 
HETATM 1030 O  O   . HOH D 3 .   ? -15.512 8.498   -8.526  1.00 36.44 ? 327 HOH A O   1 
HETATM 1031 O  O   . HOH D 3 .   ? -4.109  -7.514  -5.528  1.00 32.97 ? 328 HOH A O   1 
HETATM 1032 O  O   . HOH D 3 .   ? -36.208 -1.055  3.892   1.00 28.37 ? 329 HOH A O   1 
HETATM 1033 O  O   . HOH D 3 .   ? -32.515 2.629   9.725   1.00 34.01 ? 330 HOH A O   1 
HETATM 1034 O  O   . HOH D 3 .   ? -26.080 -7.689  3.550   1.00 33.17 ? 331 HOH A O   1 
HETATM 1035 O  O   . HOH D 3 .   ? -22.708 -9.237  0.321   1.00 30.97 ? 332 HOH A O   1 
HETATM 1036 O  O   . HOH D 3 .   ? -24.664 -5.738  10.432  1.00 37.91 ? 333 HOH A O   1 
HETATM 1037 O  O   . HOH D 3 .   ? -19.433 -3.361  -24.402 1.00 37.83 ? 334 HOH A O   1 
HETATM 1038 O  O   . HOH D 3 .   ? -11.793 1.728   14.238  1.00 43.01 ? 335 HOH A O   1 
HETATM 1039 O  O   . HOH D 3 .   ? -9.024  4.543   8.161   1.00 41.31 ? 336 HOH A O   1 
HETATM 1040 O  O   . HOH D 3 .   ? -31.697 10.692  -4.707  1.00 28.80 ? 337 HOH A O   1 
HETATM 1041 O  O   . HOH D 3 .   ? -20.913 -9.147  5.039   1.00 39.09 ? 338 HOH A O   1 
HETATM 1042 O  O   . HOH D 3 .   ? -7.125  -3.496  8.402   1.00 34.22 ? 339 HOH A O   1 
HETATM 1043 O  O   . HOH D 3 .   ? -19.984 14.996  2.219   1.00 33.12 ? 340 HOH A O   1 
HETATM 1044 O  O   . HOH D 3 .   ? -16.450 -1.634  -0.670  1.00 21.26 ? 341 HOH A O   1 
HETATM 1045 O  O   . HOH D 3 .   ? -12.023 3.468   -6.891  1.00 31.94 ? 342 HOH A O   1 
HETATM 1046 O  O   . HOH D 3 .   ? -23.770 -8.790  3.452   1.00 37.73 ? 343 HOH A O   1 
HETATM 1047 O  O   . HOH D 3 .   ? -38.430 -0.220  -3.046  1.00 35.95 ? 344 HOH A O   1 
HETATM 1048 O  O   . HOH D 3 .   ? -13.018 -9.721  -11.924 1.00 25.42 ? 345 HOH A O   1 
HETATM 1049 O  O   . HOH D 3 .   ? -30.320 10.896  -7.679  1.00 41.22 ? 346 HOH A O   1 
HETATM 1050 O  O   . HOH D 3 .   ? -21.795 -17.512 -13.983 1.00 43.57 ? 347 HOH A O   1 
HETATM 1051 O  O   . HOH D 3 .   ? -25.213 -14.189 -8.097  1.00 44.55 ? 348 HOH A O   1 
HETATM 1052 O  O   . HOH D 3 .   ? -26.207 -5.612  -3.539  1.00 31.47 ? 349 HOH A O   1 
HETATM 1053 O  O   . HOH D 3 .   ? -20.256 17.880  2.809   1.00 47.76 ? 350 HOH A O   1 
HETATM 1054 O  O   . HOH D 3 .   ? -12.850 -12.850 -19.120 0.50 39.17 ? 351 HOH A O   1 
HETATM 1055 O  O   . HOH D 3 .   ? -15.534 14.857  8.307   1.00 41.68 ? 352 HOH A O   1 
HETATM 1056 O  O   . HOH D 3 .   ? -17.787 -8.346  8.356   1.00 28.63 ? 353 HOH A O   1 
HETATM 1057 O  O   . HOH D 3 .   ? -18.712 -16.351 0.805   1.00 31.75 ? 354 HOH A O   1 
HETATM 1058 O  O   . HOH D 3 .   ? -8.779  -10.692 -15.280 1.00 43.26 ? 355 HOH A O   1 
HETATM 1059 O  O   . HOH D 3 .   ? -10.135 -2.690  13.450  1.00 33.98 ? 356 HOH A O   1 
HETATM 1060 O  O   . HOH D 3 .   ? -41.297 2.454   5.262   1.00 50.67 ? 357 HOH A O   1 
HETATM 1061 O  O   . HOH D 3 .   ? -5.097  -1.453  4.678   1.00 38.27 ? 358 HOH A O   1 
HETATM 1062 O  O   . HOH D 3 .   ? -7.028  1.229   -1.912  1.00 34.93 ? 359 HOH A O   1 
HETATM 1063 O  O   . HOH D 3 .   ? -24.064 14.862  -6.331  1.00 38.14 ? 360 HOH A O   1 
HETATM 1064 O  O   . HOH D 3 .   ? -11.267 1.252   -0.195  1.00 26.70 ? 361 HOH A O   1 
HETATM 1065 O  O   . HOH D 3 .   ? -7.682  -13.964 -14.998 1.00 45.65 ? 362 HOH A O   1 
HETATM 1066 O  O   . HOH D 3 .   ? -28.009 -7.903  11.022  1.00 26.28 ? 363 HOH A O   1 
HETATM 1067 O  O   . HOH D 3 .   ? -19.283 5.588   17.045  1.00 35.50 ? 364 HOH A O   1 
HETATM 1068 O  O   . HOH D 3 .   ? -6.005  -10.210 -12.403 1.00 32.06 ? 365 HOH A O   1 
HETATM 1069 O  O   . HOH D 3 .   ? -21.803 -3.661  -6.400  1.00 27.51 ? 366 HOH A O   1 
HETATM 1070 O  O   . HOH D 3 .   ? -37.573 3.944   10.953  1.00 42.05 ? 367 HOH A O   1 
HETATM 1071 O  O   . HOH D 3 .   ? -8.323  -17.412 -11.248 1.00 40.63 ? 368 HOH A O   1 
HETATM 1072 O  O   . HOH D 3 .   ? -10.232 -18.964 -6.379  1.00 31.65 ? 369 HOH A O   1 
HETATM 1073 O  O   . HOH D 3 .   ? -17.049 6.002   16.294  1.00 33.43 ? 370 HOH A O   1 
HETATM 1074 O  O   . HOH D 3 .   ? -33.076 -4.386  9.722   1.00 26.16 ? 371 HOH A O   1 
HETATM 1075 O  O   . HOH D 3 .   ? -33.783 10.518  8.033   1.00 47.10 ? 372 HOH A O   1 
HETATM 1076 O  O   . HOH D 3 .   ? -25.686 -14.793 -4.562  1.00 38.91 ? 373 HOH A O   1 
HETATM 1077 O  O   . HOH D 3 .   ? -22.027 15.649  -2.129  1.00 42.31 ? 374 HOH A O   1 
HETATM 1078 O  O   . HOH D 3 .   ? -12.611 -7.669  -14.290 1.00 30.93 ? 375 HOH A O   1 
HETATM 1079 O  O   . HOH D 3 .   ? -31.670 13.877  1.204   1.00 48.43 ? 376 HOH A O   1 
HETATM 1080 O  O   . HOH D 3 .   ? -9.299  -5.055  -16.000 1.00 44.51 ? 377 HOH A O   1 
HETATM 1081 O  O   . HOH D 3 .   ? -23.027 2.725   17.614  1.00 52.56 ? 378 HOH A O   1 
HETATM 1082 O  O   . HOH D 3 .   ? -7.322  -2.796  -12.580 1.00 38.66 ? 379 HOH A O   1 
HETATM 1083 O  O   . HOH D 3 .   ? -20.182 1.359   16.183  1.00 41.70 ? 380 HOH A O   1 
HETATM 1084 O  O   . HOH D 3 .   ? -13.185 -10.525 -16.746 1.00 41.26 ? 381 HOH A O   1 
HETATM 1085 O  O   . HOH D 3 .   ? -11.854 -11.603 -14.027 1.00 24.06 ? 382 HOH A O   1 
HETATM 1086 O  O   . HOH D 3 .   ? -23.225 -2.620  -5.076  1.00 49.24 ? 383 HOH A O   1 
HETATM 1087 O  O   . HOH D 3 .   ? -12.289 -6.691  -16.862 1.00 40.88 ? 384 HOH A O   1 
HETATM 1088 O  O   . HOH D 3 .   ? -39.457 3.772   0.876   1.00 40.34 ? 385 HOH A O   1 
HETATM 1089 O  O   . HOH D 3 .   ? -23.491 0.615   15.335  1.00 43.83 ? 386 HOH A O   1 
HETATM 1090 O  O   . HOH D 3 .   ? -9.769  4.390   -7.317  1.00 39.83 ? 387 HOH A O   1 
HETATM 1091 O  O   . HOH D 3 .   ? -19.118 -19.118 0.000   0.50 43.06 ? 388 HOH A O   1 
HETATM 1092 O  O   . HOH D 3 .   ? -39.753 0.262   -0.264  1.00 51.59 ? 389 HOH A O   1 
# 
