data_9LVY
# 
_entry.id   9LVY 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9LVY         pdb_00009lvy 10.2210/pdb9lvy/pdb 
WWPDB D_1300056591 ?            ?                   
# 
_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       2025-02-26 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9LVY 
_pdbx_database_status.recvd_initial_deposition_date   2025-02-13 
_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              esraayan20@ku.edu.tr 
_pdbx_contact_author.name_first         Esra 
_pdbx_contact_author.name_last          Ayan 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7906-4426 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Ayan, E.'  1 ? 
'Bahar, I.' 2 ? 
# 
_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                     'hexamer form of insulin detemir at ambient temperature' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Ayan, E.'  1 ? 
primary 'Bahar, I.' 2 ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Insulin A chain' 2383.698 2 ? ? ? ? 
2 polymer     man 'Insulin B chain' 3332.849 2 ? ? ? ? 
3 non-polymer syn PHENOL            94.111   2 ? ? ? ? 
4 non-polymer syn 'ZINC ION'        65.409   2 ? ? ? ? 
5 non-polymer syn 'CHLORIDE ION'    35.453   2 ? ? ? ? 
6 non-polymer syn 'MYRISTIC ACID'   228.371  2 ? ? ? ? 
7 water       nat water             18.015   5 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Small chain' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no GIVEQCCTSICSLYQLENYCN         GIVEQCCTSICSLYQLENYCN         A,C ? 
2 'polypeptide(L)' no no FVNQHLCGSHLVEALYLVCGERGFFYTPK FVNQHLCGSHLVEALYLVCGERGFFYTPK B,D ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 PHENOL          IPH 
4 'ZINC ION'      ZN  
5 'CHLORIDE ION'  CL  
6 'MYRISTIC ACID' MYR 
7 water           HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  GLY n 
1 2  ILE n 
1 3  VAL n 
1 4  GLU n 
1 5  GLN n 
1 6  CYS n 
1 7  CYS n 
1 8  THR n 
1 9  SER n 
1 10 ILE n 
1 11 CYS n 
1 12 SER n 
1 13 LEU n 
1 14 TYR n 
1 15 GLN n 
1 16 LEU n 
1 17 GLU n 
1 18 ASN n 
1 19 TYR n 
1 20 CYS n 
1 21 ASN n 
2 1  PHE n 
2 2  VAL n 
2 3  ASN n 
2 4  GLN n 
2 5  HIS n 
2 6  LEU n 
2 7  CYS n 
2 8  GLY n 
2 9  SER n 
2 10 HIS n 
2 11 LEU n 
2 12 VAL n 
2 13 GLU n 
2 14 ALA n 
2 15 LEU n 
2 16 TYR n 
2 17 LEU n 
2 18 VAL n 
2 19 CYS n 
2 20 GLY n 
2 21 GLU n 
2 22 ARG n 
2 23 GLY n 
2 24 PHE n 
2 25 PHE n 
2 26 TYR n 
2 27 THR n 
2 28 PRO n 
2 29 LYS n 
# 
loop_
_entity_src_gen.entity_id 
_entity_src_gen.pdbx_src_id 
_entity_src_gen.pdbx_alt_source_flag 
_entity_src_gen.pdbx_seq_type 
_entity_src_gen.pdbx_beg_seq_num 
_entity_src_gen.pdbx_end_seq_num 
_entity_src_gen.gene_src_common_name 
_entity_src_gen.gene_src_genus 
_entity_src_gen.pdbx_gene_src_gene 
_entity_src_gen.gene_src_species 
_entity_src_gen.gene_src_strain 
_entity_src_gen.gene_src_tissue 
_entity_src_gen.gene_src_tissue_fraction 
_entity_src_gen.gene_src_details 
_entity_src_gen.pdbx_gene_src_fragment 
_entity_src_gen.pdbx_gene_src_scientific_name 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 
_entity_src_gen.pdbx_gene_src_variant 
_entity_src_gen.pdbx_gene_src_cell_line 
_entity_src_gen.pdbx_gene_src_atcc 
_entity_src_gen.pdbx_gene_src_organ 
_entity_src_gen.pdbx_gene_src_organelle 
_entity_src_gen.pdbx_gene_src_cell 
_entity_src_gen.pdbx_gene_src_cellular_location 
_entity_src_gen.host_org_common_name 
_entity_src_gen.pdbx_host_org_scientific_name 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 
_entity_src_gen.host_org_genus 
_entity_src_gen.pdbx_host_org_gene 
_entity_src_gen.pdbx_host_org_organ 
_entity_src_gen.host_org_species 
_entity_src_gen.pdbx_host_org_tissue 
_entity_src_gen.pdbx_host_org_tissue_fraction 
_entity_src_gen.pdbx_host_org_strain 
_entity_src_gen.pdbx_host_org_variant 
_entity_src_gen.pdbx_host_org_cell_line 
_entity_src_gen.pdbx_host_org_atcc 
_entity_src_gen.pdbx_host_org_culture_collection 
_entity_src_gen.pdbx_host_org_cell 
_entity_src_gen.pdbx_host_org_organelle 
_entity_src_gen.pdbx_host_org_cellular_location 
_entity_src_gen.pdbx_host_org_vector_type 
_entity_src_gen.pdbx_host_org_vector 
_entity_src_gen.host_org_details 
_entity_src_gen.expression_system_id 
_entity_src_gen.plasmid_name 
_entity_src_gen.plasmid_details 
_entity_src_gen.pdbx_description 
1 1 sample 'Biological sequence' 1 21 human ? INS ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? 
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
2 1 sample 'Biological sequence' 1 29 human ? INS ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? 
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
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 
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 
IPH non-polymer         . PHENOL          ? 'C6 H6 O'        94.111  
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 
MYR non-polymer         . 'MYRISTIC ACID' ? 'C14 H28 O2'     228.371 
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 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
ZN  non-polymer         . 'ZINC ION'      ? 'Zn 2'           65.409  
# 
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  GLY 1  1  1  GLY GLY A . n 
A 1 2  ILE 2  2  2  ILE ILE A . n 
A 1 3  VAL 3  3  3  VAL VAL A . n 
A 1 4  GLU 4  4  4  GLU GLU A . n 
A 1 5  GLN 5  5  5  GLN GLN A . n 
A 1 6  CYS 6  6  6  CYS CYS A . n 
A 1 7  CYS 7  7  7  CYS CYS A . n 
A 1 8  THR 8  8  8  THR THR A . n 
A 1 9  SER 9  9  9  SER SER A . n 
A 1 10 ILE 10 10 10 ILE ILE A . n 
A 1 11 CYS 11 11 11 CYS CYS A . n 
A 1 12 SER 12 12 12 SER SER A . n 
A 1 13 LEU 13 13 13 LEU LEU A . n 
A 1 14 TYR 14 14 14 TYR TYR A . n 
A 1 15 GLN 15 15 15 GLN GLN A . n 
A 1 16 LEU 16 16 16 LEU LEU A . n 
A 1 17 GLU 17 17 17 GLU GLU A . n 
A 1 18 ASN 18 18 18 ASN ASN A . n 
A 1 19 TYR 19 19 19 TYR TYR A . n 
A 1 20 CYS 20 20 20 CYS CYS A . n 
A 1 21 ASN 21 21 21 ASN ASN A . n 
B 2 1  PHE 1  1  1  PHE PHE B . n 
B 2 2  VAL 2  2  2  VAL VAL B . n 
B 2 3  ASN 3  3  3  ASN ASN B . n 
B 2 4  GLN 4  4  4  GLN GLN B . n 
B 2 5  HIS 5  5  5  HIS HIS B . n 
B 2 6  LEU 6  6  6  LEU LEU B . n 
B 2 7  CYS 7  7  7  CYS CYS B . n 
B 2 8  GLY 8  8  8  GLY GLY B . n 
B 2 9  SER 9  9  9  SER SER B . n 
B 2 10 HIS 10 10 10 HIS HIS B . n 
B 2 11 LEU 11 11 11 LEU LEU B . n 
B 2 12 VAL 12 12 12 VAL VAL B . n 
B 2 13 GLU 13 13 13 GLU GLU B . n 
B 2 14 ALA 14 14 14 ALA ALA B . n 
B 2 15 LEU 15 15 15 LEU LEU B . n 
B 2 16 TYR 16 16 16 TYR TYR B . n 
B 2 17 LEU 17 17 17 LEU LEU B . n 
B 2 18 VAL 18 18 18 VAL VAL B . n 
B 2 19 CYS 19 19 19 CYS CYS B . n 
B 2 20 GLY 20 20 20 GLY GLY B . n 
B 2 21 GLU 21 21 21 GLU GLU B . n 
B 2 22 ARG 22 22 22 ARG ARG B . n 
B 2 23 GLY 23 23 23 GLY GLY B . n 
B 2 24 PHE 24 24 24 PHE PHE B . n 
B 2 25 PHE 25 25 25 PHE PHE B . n 
B 2 26 TYR 26 26 26 TYR TYR B . n 
B 2 27 THR 27 27 27 THR THR B . n 
B 2 28 PRO 28 28 28 PRO PRO B . n 
B 2 29 LYS 29 29 29 LYS LYS B . n 
C 1 1  GLY 1  1  1  GLY GLY C . n 
C 1 2  ILE 2  2  2  ILE ILE C . n 
C 1 3  VAL 3  3  3  VAL VAL C . n 
C 1 4  GLU 4  4  4  GLU GLU C . n 
C 1 5  GLN 5  5  5  GLN GLN C . n 
C 1 6  CYS 6  6  6  CYS CYS C . n 
C 1 7  CYS 7  7  7  CYS CYS C . n 
C 1 8  THR 8  8  8  THR THR C . n 
C 1 9  SER 9  9  9  SER SER C . n 
C 1 10 ILE 10 10 10 ILE ILE C . n 
C 1 11 CYS 11 11 11 CYS CYS C . n 
C 1 12 SER 12 12 12 SER SER C . n 
C 1 13 LEU 13 13 13 LEU LEU C . n 
C 1 14 TYR 14 14 14 TYR TYR C . n 
C 1 15 GLN 15 15 15 GLN GLN C . n 
C 1 16 LEU 16 16 16 LEU LEU C . n 
C 1 17 GLU 17 17 17 GLU GLU C . n 
C 1 18 ASN 18 18 18 ASN ASN C . n 
C 1 19 TYR 19 19 19 TYR TYR C . n 
C 1 20 CYS 20 20 20 CYS CYS C . n 
C 1 21 ASN 21 21 21 ASN ASN C . n 
D 2 1  PHE 1  1  1  PHE PHE D . n 
D 2 2  VAL 2  2  2  VAL VAL D . n 
D 2 3  ASN 3  3  3  ASN ASN D . n 
D 2 4  GLN 4  4  4  GLN GLN D . n 
D 2 5  HIS 5  5  5  HIS HIS D . n 
D 2 6  LEU 6  6  6  LEU LEU D . n 
D 2 7  CYS 7  7  7  CYS CYS D . n 
D 2 8  GLY 8  8  8  GLY GLY D . n 
D 2 9  SER 9  9  9  SER SER D . n 
D 2 10 HIS 10 10 10 HIS HIS D . n 
D 2 11 LEU 11 11 11 LEU LEU D . n 
D 2 12 VAL 12 12 12 VAL VAL D . n 
D 2 13 GLU 13 13 13 GLU GLU D . n 
D 2 14 ALA 14 14 14 ALA ALA D . n 
D 2 15 LEU 15 15 15 LEU LEU D . n 
D 2 16 TYR 16 16 16 TYR TYR D . n 
D 2 17 LEU 17 17 17 LEU LEU D . n 
D 2 18 VAL 18 18 18 VAL VAL D . n 
D 2 19 CYS 19 19 19 CYS CYS D . n 
D 2 20 GLY 20 20 20 GLY GLY D . n 
D 2 21 GLU 21 21 21 GLU GLU D . n 
D 2 22 ARG 22 22 22 ARG ARG D . n 
D 2 23 GLY 23 23 23 GLY GLY D . n 
D 2 24 PHE 24 24 24 PHE PHE D . n 
D 2 25 PHE 25 25 25 PHE PHE D . n 
D 2 26 TYR 26 26 26 TYR TYR D . n 
D 2 27 THR 27 27 27 THR THR D . n 
D 2 28 PRO 28 28 28 PRO PRO D . n 
D 2 29 LYS 29 29 29 LYS LYS D . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 CL  ? ? CL  ? ? 'SUBJECT OF INVESTIGATION' ? 
2 IPH ? ? IPH ? ? 'SUBJECT OF INVESTIGATION' ? 
3 MYR ? ? MYR ? ? 'SUBJECT OF INVESTIGATION' ? 
4 ZN  ? ? ZN  ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
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 
E 3 IPH 1 101 22 IPH IPH B . 
F 4 ZN  1 102 30 ZN  ZN  B . 
G 5 CL  1 103 31 CL  CL  B . 
H 6 MYR 1 104 39 MYR MYR B . 
I 3 IPH 1 101 22 IPH IPH D . 
J 4 ZN  1 102 30 ZN  ZN  D . 
K 5 CL  1 103 31 CL  CL  D . 
L 6 MYR 1 104 39 MYR MYR D . 
M 7 HOH 1 201 2  HOH HOH B . 
M 7 HOH 2 202 3  HOH HOH B . 
M 7 HOH 3 203 1  HOH HOH B . 
N 7 HOH 1 101 4  HOH HOH C . 
N 7 HOH 2 102 5  HOH HOH C . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 0 A TYR 14 ? OH  ? A TYR 14 OH  
2  1 Y 0 B GLU 13 ? CD  ? B GLU 13 CD  
3  1 Y 0 B GLU 13 ? OE2 ? B GLU 13 OE2 
4  1 Y 0 D ASN 3  ? ND2 ? D ASN 3  ND2 
5  1 Y 0 D GLU 13 ? CD  ? D GLU 13 CD  
6  1 Y 0 D LEU 17 ? CG  A D LEU 17 CG  
7  1 Y 0 D LEU 17 ? CD1 A D LEU 17 CD1 
8  1 Y 0 D LEU 17 ? CD2 A D LEU 17 CD2 
9  1 Y 0 D GLU 21 ? CG  ? D GLU 21 CG  
10 1 Y 0 D GLU 21 ? CD  ? D GLU 21 CD  
11 1 Y 0 D GLU 21 ? OE1 ? D GLU 21 OE1 
12 1 Y 0 D LYS 29 ? CB  ? D LYS 29 CB  
# 
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 reduction' ? ? ? ? ? ? ? ? ? ? ? CrysalisPro ? ? ? .                    2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? CrysalisPro ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX      ? ? ? .                    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9LVY 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     81.240 
_cell.length_a_esd                 ? 
_cell.length_b                     81.240 
_cell.length_b_esd                 ? 
_cell.length_c                     40.322 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        18 
_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                         9LVY 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                146 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'H 3' 
_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                   9LVY 
_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             2.24 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          45.08 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2M sodium acetate trihydrate, 0.1M tris hydrochloride pH 9' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     293 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'RIGAKU HyPix-Arc 100' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-08-14 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.5 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU PhotonJet-R' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.5 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9LVY 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.85 
_reflns.d_resolution_low                               19.38 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     2306 
_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                           98.53 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                19.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          7.39 
_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                                   0.89 
_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                                    2.85 
_reflns_shell.d_res_low                                     2.951 
_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                             202 
_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                                  0.745 
_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                                 9LVY 
_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                            2.85 
_refine.ls_d_res_low                             19.38 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     2281 
_refine.ls_number_reflns_R_free                  234 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.92 
_refine.ls_percent_reflns_R_free                 10.26 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2905 
_refine.ls_R_factor_R_free                       0.3377 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2852 
_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                          0.15 
_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                 29.86 
_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                            0.38 
_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.pdbx_number_atoms_protein        796 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         48 
_refine_hist.number_atoms_solvent             5 
_refine_hist.number_atoms_total               849 
_refine_hist.d_res_high                       2.85 
_refine_hist.d_res_low                        19.38 
# 
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' ? 0.002  ? ?   ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.349  ? ?   ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 14.414 ? 315 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.032  ? 122 ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.002  ? 145 ? 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' 2.85 2.95 . . 22 182 94.00  . . . . 0.3955 . . . . . . . . . . . 0.4438 
'X-RAY DIFFRACTION' 2.95 3.07 . . 22 211 98.00  . . . . 0.3509 . . . . . . . . . . . 0.3696 
'X-RAY DIFFRACTION' 3.07 3.21 . . 24 203 99.00  . . . . 0.3505 . . . . . . . . . . . 0.3753 
'X-RAY DIFFRACTION' 3.21 3.37 . . 26 217 100.00 . . . . 0.3215 . . . . . . . . . . . 0.4327 
'X-RAY DIFFRACTION' 3.38 3.58 . . 23 195 100.00 . . . . 0.3284 . . . . . . . . . . . 0.3989 
'X-RAY DIFFRACTION' 3.59 3.86 . . 22 208 100.00 . . . . 0.2998 . . . . . . . . . . . 0.4106 
'X-RAY DIFFRACTION' 3.86 4.24 . . 24 198 100.00 . . . . 0.2757 . . . . . . . . . . . 0.3555 
'X-RAY DIFFRACTION' 4.25 4.85 . . 25 221 100.00 . . . . 0.2270 . . . . . . . . . . . 0.2984 
'X-RAY DIFFRACTION' 4.87 6.05 . . 23 206 100.00 . . . . 0.2846 . . . . . . . . . . . 0.2849 
'X-RAY DIFFRACTION' 6.10 10   . . 23 206 100.00 . . . . 0.2435 . . . . . . . . . . . 0.2793 
# 
_struct.entry_id                     9LVY 
_struct.title                        'hexamer form of insulin detemir at ambient temperature' 
_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        9LVY 
_struct_keywords.text            'insulin structure, insulin hexamer, ambient temperature, HORMONE' 
_struct_keywords.pdbx_keywords   HORMONE 
# 
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 1 ? 
D N N 2 ? 
E N N 3 ? 
F N N 4 ? 
G N N 5 ? 
H N N 6 ? 
I N N 3 ? 
J N N 4 ? 
K N N 5 ? 
L N N 6 ? 
M N N 7 ? 
N N N 7 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP INS_HUMAN P01308 ? 1 GIVEQCCTSICSLYQLENYCN         90 
2 UNP INS_HUMAN P01308 ? 2 FVNQHLCGSHLVEALYLVCGERGFFYTPK 25 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9LVY A 1 ? 21 ? P01308 90 ? 110 ? 1 21 
2 2 9LVY B 1 ? 29 ? P01308 25 ? 53  ? 1 29 
3 1 9LVY C 1 ? 21 ? P01308 90 ? 110 ? 1 21 
4 2 9LVY D 1 ? 29 ? P01308 25 ? 53  ? 1 29 
# 
_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   dodecameric 
_pdbx_struct_assembly.oligomeric_count     12 
# 
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)' 26320 ? 
1 MORE         -938  ? 
1 'SSA (A^2)'  10020 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2,3 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L,M,N 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000  0.0000000000 0.0000000000 0.0000000000  1.0000000000  
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_555 -y,x-y,z  -0.5000000000 -0.8660254038 0.0000000000 0.0000000000 0.8660254038  -0.5000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
3 'crystal symmetry operation' 3_555 -x+y,-x,z -0.5000000000 0.8660254038  0.0000000000 0.0000000000 -0.8660254038 -0.5000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 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 1  ? CYS A 7  ? GLY A 1  CYS A 7  1 ? 7  
HELX_P HELX_P2 AA2 SER A 12 ? ASN A 18 ? SER A 12 ASN A 18 1 ? 7  
HELX_P HELX_P3 AA3 VAL B 2  ? GLY B 20 ? VAL B 2  GLY B 20 1 ? 19 
HELX_P HELX_P4 AA4 ILE C 2  ? CYS C 7  ? ILE C 2  CYS C 7  1 ? 6  
HELX_P HELX_P5 AA5 SER C 12 ? ASN C 18 ? SER C 12 ASN C 18 1 ? 7  
HELX_P HELX_P6 AA6 VAL D 2  ? GLY D 20 ? VAL D 2  GLY D 20 1 ? 19 
HELX_P HELX_P7 AA7 GLU D 21 ? GLY D 23 ? GLU D 21 GLY D 23 5 ? 3  
# 
_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 11 SG  ? ? A CYS 6   A CYS 11  1_555 ? ? ? ? ? ? ? 2.030 ? ? 
disulf2 disulf ?    ? A CYS 7  SG  ? ? ? 1_555 B CYS 7  SG  ? ? A CYS 7   B CYS 7   1_555 ? ? ? ? ? ? ? 2.033 ? ? 
disulf3 disulf ?    ? A CYS 20 SG  ? ? ? 1_555 B CYS 19 SG  ? ? A CYS 20  B CYS 19  1_555 ? ? ? ? ? ? ? 2.030 ? ? 
disulf4 disulf ?    ? C CYS 6  SG  ? ? ? 1_555 C CYS 11 SG  ? ? C CYS 6   C CYS 11  1_555 ? ? ? ? ? ? ? 2.033 ? ? 
disulf5 disulf ?    ? C CYS 7  SG  ? ? ? 1_555 D CYS 7  SG  ? ? C CYS 7   D CYS 7   1_555 ? ? ? ? ? ? ? 2.031 ? ? 
disulf6 disulf ?    ? C CYS 20 SG  ? ? ? 1_555 D CYS 19 SG  ? ? C CYS 20  D CYS 19  1_555 ? ? ? ? ? ? ? 2.033 ? ? 
covale1 covale none ? A THR 8  CG2 ? ? ? 1_555 L MYR .  C6  ? ? A THR 8   D MYR 104 1_556 ? ? ? ? ? ? ? 1.491 ? ? 
covale2 covale one  ? B LYS 29 NZ  ? ? ? 1_555 H MYR .  C1  ? ? B LYS 29  B MYR 104 1_555 ? ? ? ? ? ? ? 1.430 ? ? 
covale3 covale none ? H MYR .  C14 ? ? ? 1_555 L MYR .  C13 ? ? B MYR 104 D MYR 104 1_556 ? ? ? ? ? ? ? 1.493 ? ? 
covale4 covale one  ? D LYS 29 NZ  ? ? ? 1_555 L MYR .  C1  ? ? D LYS 29  D MYR 104 1_555 ? ? ? ? ? ? ? 1.430 ? ? 
metalc1 metalc ?    ? B HIS 10 NE2 ? ? ? 1_555 F ZN  .  ZN  ? ? B HIS 10  B ZN  102 1_555 ? ? ? ? ? ? ? 2.301 ? ? 
metalc2 metalc ?    ? B HIS 10 NE2 ? ? ? 1_555 F ZN  .  ZN  ? ? B HIS 10  B ZN  102 3_555 ? ? ? ? ? ? ? 2.589 ? ? 
metalc3 metalc ?    ? D HIS 10 NE2 ? ? ? 1_555 J ZN  .  ZN  ? ? D HIS 10  D ZN  102 1_555 ? ? ? ? ? ? ? 2.299 ? ? 
metalc4 metalc ?    ? D HIS 10 NE2 ? ? ? 1_555 J ZN  .  ZN  ? ? D HIS 10  D ZN  102 2_555 ? ? ? ? ? ? ? 2.374 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 NE2 ? B HIS 10 ? B HIS 10 ? 1_555 ZN ? F ZN . ? B ZN 102 ? 1_555 NE2 ? B HIS 10 ? B HIS 10 ? 1_555 0.0 ? 
2 NE2 ? D HIS 10 ? D HIS 10 ? 1_555 ZN ? J ZN . ? D ZN 102 ? 1_555 NE2 ? D HIS 10 ? D HIS 10 ? 1_555 0.0 ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 MYR H .  ? LYS B 29 ? MYR B 104 ? 1_555 LYS B 29 ? 1_555 C1 NZ  LYS 1 MYR Myristoylation Lipid/lipid-like   
2 MYR L .  ? LYS D 29 ? MYR D 104 ? 1_555 LYS D 29 ? 1_555 C1 NZ  LYS 1 MYR Myristoylation Lipid/lipid-like   
3 MYR L .  ? THR A 8  ? MYR D 104 ? 1_556 THR A 8  ? 1_555 C6 CG2 THR 9 MYR Myristoylation Lipid/lipid-like   
4 CYS A 6  ? CYS A 11 ? CYS A 6   ? 1_555 CYS A 11 ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
5 CYS A 7  ? CYS B 7  ? CYS A 7   ? 1_555 CYS B 7  ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
6 CYS A 20 ? CYS B 19 ? CYS A 20  ? 1_555 CYS B 19 ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
7 CYS C 6  ? CYS C 11 ? CYS C 6   ? 1_555 CYS C 11 ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
8 CYS C 7  ? CYS D 7  ? CYS C 7   ? 1_555 CYS D 7  ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
9 CYS C 20 ? CYS D 19 ? CYS C 20  ? 1_555 CYS D 19 ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   2 
_struct_sheet.details          ? 
# 
_struct_sheet_order.sheet_id     AA1 
_struct_sheet_order.range_id_1   1 
_struct_sheet_order.range_id_2   2 
_struct_sheet_order.offset       ? 
_struct_sheet_order.sense        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 PHE B 24 ? TYR B 26 ? PHE B 24 TYR B 26 
AA1 2 PHE D 24 ? TYR D 26 ? PHE D 24 TYR D 26 
# 
_pdbx_struct_sheet_hbond.sheet_id                AA1 
_pdbx_struct_sheet_hbond.range_id_1              1 
_pdbx_struct_sheet_hbond.range_id_2              2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id   N 
_pdbx_struct_sheet_hbond.range_1_label_comp_id   PHE 
_pdbx_struct_sheet_hbond.range_1_label_asym_id   B 
_pdbx_struct_sheet_hbond.range_1_label_seq_id    24 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code    ? 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id    N 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id    PHE 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id    B 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id     24 
_pdbx_struct_sheet_hbond.range_2_label_atom_id   O 
_pdbx_struct_sheet_hbond.range_2_label_comp_id   TYR 
_pdbx_struct_sheet_hbond.range_2_label_asym_id   D 
_pdbx_struct_sheet_hbond.range_2_label_seq_id    26 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code    ? 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id    O 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id    TYR 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id    D 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id     26 
# 
_pdbx_entry_details.entry_id                   9LVY 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    CG2 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    THR 
_pdbx_validate_symm_contact.auth_seq_id_1     8 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    C7 
_pdbx_validate_symm_contact.auth_asym_id_2    D 
_pdbx_validate_symm_contact.auth_comp_id_2    MYR 
_pdbx_validate_symm_contact.auth_seq_id_2     104 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   1_556 
_pdbx_validate_symm_contact.dist              2.09 
# 
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 B ZN  102 ? F ZN  . 
2 1 D ZN  102 ? J ZN  . 
3 1 D CL  103 ? K CL  . 
4 1 B HOH 203 ? M HOH . 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1  'X-RAY DIFFRACTION' ? refined -8.5905  13.6758 -5.9745  0.3225 ? 0.3186  ? 0.0725  ? 1.2025 ? -0.1811 ? 1.0956 ? 0.0822 ? 
-0.2701 ? -0.1333 ? 0.9075 ? 0.4948  ? 0.3764 ? -0.1032 ? 0.0242  ? -0.2053 ? 0.0204  ? 0.0042  ? -0.2268 ? 0.1483  ? 0.2793  ? 
-0.0179 ? 
2  'X-RAY DIFFRACTION' ? refined -11.4875 6.6442  -5.9909  1.0645 ? -0.1333 ? 0.5811  ? 0.7727 ? -0.4723 ? 1.1577 ? 3.1012 ? 
-0.2721 ? -0.9873 ? 1.8600 ? 0.0418  ? 0.3150 ? 0.1152  ? -0.4001 ? 0.3251  ? 0.4248  ? 0.2627  ? -0.2021 ? -0.1774 ? 0.5212  ? 
-0.0724 ? 
3  'X-RAY DIFFRACTION' ? refined -15.2148 13.0008 -15.1358 0.5932 ? 0.0175  ? -0.0533 ? 0.4508 ? -0.2274 ? 0.8135 ? 3.1636 ? 
-2.1898 ? 1.9060  ? 3.7276 ? 0.6763  ? 2.9455 ? 0.0173  ? 0.0473  ? -0.7785 ? -0.2531 ? -0.6518 ? 1.3934  ? 0.4626  ? -0.8798 ? 
0.4335  ? 
4  'X-RAY DIFFRACTION' ? refined -3.6159  7.4830  -13.1451 0.1254 ? -0.0430 ? 0.0971  ? 0.6696 ? 0.1171  ? 0.2060 ? 2.8623 ? 
0.2422  ? -2.2747 ? 3.3132 ? -0.0240 ? 1.8194 ? -0.0894 ? -0.2074 ? -0.1673 ? 0.1529  ? 0.2053  ? 0.1227  ? -0.2105 ? 0.6835  ? 
0.3502  ? 
5  'X-RAY DIFFRACTION' ? refined -7.4345  16.5718 -17.7378 0.5327 ? 0.3355  ? 0.1546  ? 0.7690 ? 0.2628  ? 0.1941 ? 2.9555 ? 
0.3330  ? 0.0508  ? 4.1476 ? -0.3695 ? 0.2860 ? -0.5454 ? -0.4651 ? 0.0555  ? -0.1418 ? 0.7510  ? 0.1765  ? -0.1150 ? -0.0640 ? 
0.2362  ? 
6  'X-RAY DIFFRACTION' ? refined 1.5829   15.8133 -32.7055 1.0659 ? -0.2307 ? 0.2971  ? 0.7394 ? -0.0622 ? 0.4418 ? 4.0475 ? 
-3.2476 ? 2.1172  ? 2.9603 ? -1.8747 ? 1.1937 ? 0.4945  ? -0.6703 ? 0.5045  ? 0.6265  ? 0.3678  ? -0.1933 ? -0.3458 ? 0.0262  ? 
-0.5475 ? 
7  'X-RAY DIFFRACTION' ? refined 7.2629   11.7603 -32.4759 0.7224 ? 0.2103  ? 0.2925  ? 0.2759 ? 0.0936  ? 0.9858 ? 2.6191 ? 
-1.7995 ? 1.5250  ? 1.4381 ? -0.5979 ? 1.8831 ? -0.0872 ? -0.1314 ? -0.1448 ? 0.3391  ? 0.3302  ? -0.3490 ? 0.2511  ? 0.0673  ? 
-0.3316 ? 
8  'X-RAY DIFFRACTION' ? refined 7.6845   19.0780 -23.2965 0.5544 ? 0.0497  ? -0.1397 ? 1.1166 ? -0.4668 ? 0.5747 ? 0.9679 ? 
-2.0165 ? 0.2409  ? 5.7357 ? -0.4233 ? 5.5025 ? 0.2012  ? 0.5612  ? 0.5927  ? 0.2036  ? -0.2769 ? -0.3408 ? 0.7177  ? 1.3098  ? 
0.0153  ? 
9  'X-RAY DIFFRACTION' ? refined -0.1803  8.1077  -25.2600 0.6659 ? 0.5891  ? 0.1817  ? 0.2838 ? -0.1591 ? 0.2549 ? 1.8601 ? 
-1.2908 ? -0.7546 ? 2.0669 ? 0.5822  ? 1.2198 ? -0.1358 ? 0.2896  ? -0.1298 ? -0.1625 ? -0.4455 ? 0.5541  ? -0.4128 ? -0.3383 ? 
-0.9316 ? 
10 'X-RAY DIFFRACTION' ? refined -1.5498  17.6239 -21.0576 1.1969 ? 0.5059  ? 0.1140  ? 0.5088 ? -0.3015 ? 0.9067 ? 2.9557 ? 
-0.2464 ? 1.4252  ? 3.4062 ? 1.8779  ? 2.9226 ? -0.0851 ? -0.3222 ? 0.3674  ? 0.0130  ? 0.1748  ? -0.0514 ? -0.3994 ? 0.0426  ? 
0.1744  ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1  'X-RAY DIFFRACTION' 1  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 1 through 6 )
;
2  'X-RAY DIFFRACTION' 2  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 7 through 12 )
;
3  'X-RAY DIFFRACTION' 3  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 13 through 21 )
;
4  'X-RAY DIFFRACTION' 4  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 1 through 19 )
;
5  'X-RAY DIFFRACTION' 5  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 20 through 29 )
;
6  'X-RAY DIFFRACTION' 6  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 1 through 6 )
;
7  'X-RAY DIFFRACTION' 7  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 7 through 12 )
;
8  'X-RAY DIFFRACTION' 8  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 13 through 21 )
;
9  'X-RAY DIFFRACTION' 9  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'D' and (resid 1 through 19 )
;
10 'X-RAY DIFFRACTION' 10 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'D' and (resid 20 through 29 )
;
# 
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  
CL  CL   CL N N 58  
CYS N    N  N N 59  
CYS CA   C  N R 60  
CYS C    C  N N 61  
CYS O    O  N N 62  
CYS CB   C  N N 63  
CYS SG   S  N N 64  
CYS OXT  O  N N 65  
CYS H    H  N N 66  
CYS H2   H  N N 67  
CYS HA   H  N N 68  
CYS HB2  H  N N 69  
CYS HB3  H  N N 70  
CYS HG   H  N N 71  
CYS HXT  H  N N 72  
GLN N    N  N N 73  
GLN CA   C  N S 74  
GLN C    C  N N 75  
GLN O    O  N N 76  
GLN CB   C  N N 77  
GLN CG   C  N N 78  
GLN CD   C  N N 79  
GLN OE1  O  N N 80  
GLN NE2  N  N N 81  
GLN OXT  O  N N 82  
GLN H    H  N N 83  
GLN H2   H  N N 84  
GLN HA   H  N N 85  
GLN HB2  H  N N 86  
GLN HB3  H  N N 87  
GLN HG2  H  N N 88  
GLN HG3  H  N N 89  
GLN HE21 H  N N 90  
GLN HE22 H  N N 91  
GLN HXT  H  N N 92  
GLU N    N  N N 93  
GLU CA   C  N S 94  
GLU C    C  N N 95  
GLU O    O  N N 96  
GLU CB   C  N N 97  
GLU CG   C  N N 98  
GLU CD   C  N N 99  
GLU OE1  O  N N 100 
GLU OE2  O  N N 101 
GLU OXT  O  N N 102 
GLU H    H  N N 103 
GLU H2   H  N N 104 
GLU HA   H  N N 105 
GLU HB2  H  N N 106 
GLU HB3  H  N N 107 
GLU HG2  H  N N 108 
GLU HG3  H  N N 109 
GLU HE2  H  N N 110 
GLU HXT  H  N N 111 
GLY N    N  N N 112 
GLY CA   C  N N 113 
GLY C    C  N N 114 
GLY O    O  N N 115 
GLY OXT  O  N N 116 
GLY H    H  N N 117 
GLY H2   H  N N 118 
GLY HA2  H  N N 119 
GLY HA3  H  N N 120 
GLY HXT  H  N N 121 
HIS N    N  N N 122 
HIS CA   C  N S 123 
HIS C    C  N N 124 
HIS O    O  N N 125 
HIS CB   C  N N 126 
HIS CG   C  Y N 127 
HIS ND1  N  Y N 128 
HIS CD2  C  Y N 129 
HIS CE1  C  Y N 130 
HIS NE2  N  Y N 131 
HIS OXT  O  N N 132 
HIS H    H  N N 133 
HIS H2   H  N N 134 
HIS HA   H  N N 135 
HIS HB2  H  N N 136 
HIS HB3  H  N N 137 
HIS HD1  H  N N 138 
HIS HD2  H  N N 139 
HIS HE1  H  N N 140 
HIS HE2  H  N N 141 
HIS HXT  H  N N 142 
HOH O    O  N N 143 
HOH H1   H  N N 144 
HOH H2   H  N N 145 
ILE N    N  N N 146 
ILE CA   C  N S 147 
ILE C    C  N N 148 
ILE O    O  N N 149 
ILE CB   C  N S 150 
ILE CG1  C  N N 151 
ILE CG2  C  N N 152 
ILE CD1  C  N N 153 
ILE OXT  O  N N 154 
ILE H    H  N N 155 
ILE H2   H  N N 156 
ILE HA   H  N N 157 
ILE HB   H  N N 158 
ILE HG12 H  N N 159 
ILE HG13 H  N N 160 
ILE HG21 H  N N 161 
ILE HG22 H  N N 162 
ILE HG23 H  N N 163 
ILE HD11 H  N N 164 
ILE HD12 H  N N 165 
ILE HD13 H  N N 166 
ILE HXT  H  N N 167 
IPH C1   C  Y N 168 
IPH C2   C  Y N 169 
IPH C3   C  Y N 170 
IPH C4   C  Y N 171 
IPH C5   C  Y N 172 
IPH C6   C  Y N 173 
IPH O1   O  N N 174 
IPH H2   H  N N 175 
IPH H3   H  N N 176 
IPH H4   H  N N 177 
IPH H5   H  N N 178 
IPH H6   H  N N 179 
IPH HO1  H  N N 180 
LEU N    N  N N 181 
LEU CA   C  N S 182 
LEU C    C  N N 183 
LEU O    O  N N 184 
LEU CB   C  N N 185 
LEU CG   C  N N 186 
LEU CD1  C  N N 187 
LEU CD2  C  N N 188 
LEU OXT  O  N N 189 
LEU H    H  N N 190 
LEU H2   H  N N 191 
LEU HA   H  N N 192 
LEU HB2  H  N N 193 
LEU HB3  H  N N 194 
LEU HG   H  N N 195 
LEU HD11 H  N N 196 
LEU HD12 H  N N 197 
LEU HD13 H  N N 198 
LEU HD21 H  N N 199 
LEU HD22 H  N N 200 
LEU HD23 H  N N 201 
LEU HXT  H  N N 202 
LYS N    N  N N 203 
LYS CA   C  N S 204 
LYS C    C  N N 205 
LYS O    O  N N 206 
LYS CB   C  N N 207 
LYS CG   C  N N 208 
LYS CD   C  N N 209 
LYS CE   C  N N 210 
LYS NZ   N  N N 211 
LYS OXT  O  N N 212 
LYS H    H  N N 213 
LYS H2   H  N N 214 
LYS HA   H  N N 215 
LYS HB2  H  N N 216 
LYS HB3  H  N N 217 
LYS HG2  H  N N 218 
LYS HG3  H  N N 219 
LYS HD2  H  N N 220 
LYS HD3  H  N N 221 
LYS HE2  H  N N 222 
LYS HE3  H  N N 223 
LYS HZ1  H  N N 224 
LYS HZ2  H  N N 225 
LYS HZ3  H  N N 226 
LYS HXT  H  N N 227 
MYR C1   C  N N 228 
MYR O1   O  N N 229 
MYR O2   O  N N 230 
MYR C2   C  N N 231 
MYR C3   C  N N 232 
MYR C4   C  N N 233 
MYR C5   C  N N 234 
MYR C6   C  N N 235 
MYR C7   C  N N 236 
MYR C8   C  N N 237 
MYR C9   C  N N 238 
MYR C10  C  N N 239 
MYR C11  C  N N 240 
MYR C12  C  N N 241 
MYR C13  C  N N 242 
MYR C14  C  N N 243 
MYR HO2  H  N N 244 
MYR H21  H  N N 245 
MYR H22  H  N N 246 
MYR H31  H  N N 247 
MYR H32  H  N N 248 
MYR H41  H  N N 249 
MYR H42  H  N N 250 
MYR H51  H  N N 251 
MYR H52  H  N N 252 
MYR H61  H  N N 253 
MYR H62  H  N N 254 
MYR H71  H  N N 255 
MYR H72  H  N N 256 
MYR H81  H  N N 257 
MYR H82  H  N N 258 
MYR H91  H  N N 259 
MYR H92  H  N N 260 
MYR H101 H  N N 261 
MYR H102 H  N N 262 
MYR H111 H  N N 263 
MYR H112 H  N N 264 
MYR H121 H  N N 265 
MYR H122 H  N N 266 
MYR H131 H  N N 267 
MYR H132 H  N N 268 
MYR H141 H  N N 269 
MYR H142 H  N N 270 
MYR H143 H  N N 271 
PHE N    N  N N 272 
PHE CA   C  N S 273 
PHE C    C  N N 274 
PHE O    O  N N 275 
PHE CB   C  N N 276 
PHE CG   C  Y N 277 
PHE CD1  C  Y N 278 
PHE CD2  C  Y N 279 
PHE CE1  C  Y N 280 
PHE CE2  C  Y N 281 
PHE CZ   C  Y N 282 
PHE OXT  O  N N 283 
PHE H    H  N N 284 
PHE H2   H  N N 285 
PHE HA   H  N N 286 
PHE HB2  H  N N 287 
PHE HB3  H  N N 288 
PHE HD1  H  N N 289 
PHE HD2  H  N N 290 
PHE HE1  H  N N 291 
PHE HE2  H  N N 292 
PHE HZ   H  N N 293 
PHE HXT  H  N N 294 
PRO N    N  N N 295 
PRO CA   C  N S 296 
PRO C    C  N N 297 
PRO O    O  N N 298 
PRO CB   C  N N 299 
PRO CG   C  N N 300 
PRO CD   C  N N 301 
PRO OXT  O  N N 302 
PRO H    H  N N 303 
PRO HA   H  N N 304 
PRO HB2  H  N N 305 
PRO HB3  H  N N 306 
PRO HG2  H  N N 307 
PRO HG3  H  N N 308 
PRO HD2  H  N N 309 
PRO HD3  H  N N 310 
PRO HXT  H  N N 311 
SER N    N  N N 312 
SER CA   C  N S 313 
SER C    C  N N 314 
SER O    O  N N 315 
SER CB   C  N N 316 
SER OG   O  N N 317 
SER OXT  O  N N 318 
SER H    H  N N 319 
SER H2   H  N N 320 
SER HA   H  N N 321 
SER HB2  H  N N 322 
SER HB3  H  N N 323 
SER HG   H  N N 324 
SER HXT  H  N N 325 
THR N    N  N N 326 
THR CA   C  N S 327 
THR C    C  N N 328 
THR O    O  N N 329 
THR CB   C  N R 330 
THR OG1  O  N N 331 
THR CG2  C  N N 332 
THR OXT  O  N N 333 
THR H    H  N N 334 
THR H2   H  N N 335 
THR HA   H  N N 336 
THR HB   H  N N 337 
THR HG1  H  N N 338 
THR HG21 H  N N 339 
THR HG22 H  N N 340 
THR HG23 H  N N 341 
THR HXT  H  N N 342 
TYR N    N  N N 343 
TYR CA   C  N S 344 
TYR C    C  N N 345 
TYR O    O  N N 346 
TYR CB   C  N N 347 
TYR CG   C  Y N 348 
TYR CD1  C  Y N 349 
TYR CD2  C  Y N 350 
TYR CE1  C  Y N 351 
TYR CE2  C  Y N 352 
TYR CZ   C  Y N 353 
TYR OH   O  N N 354 
TYR OXT  O  N N 355 
TYR H    H  N N 356 
TYR H2   H  N N 357 
TYR HA   H  N N 358 
TYR HB2  H  N N 359 
TYR HB3  H  N N 360 
TYR HD1  H  N N 361 
TYR HD2  H  N N 362 
TYR HE1  H  N N 363 
TYR HE2  H  N N 364 
TYR HH   H  N N 365 
TYR HXT  H  N N 366 
VAL N    N  N N 367 
VAL CA   C  N S 368 
VAL C    C  N N 369 
VAL O    O  N N 370 
VAL CB   C  N N 371 
VAL CG1  C  N N 372 
VAL CG2  C  N N 373 
VAL OXT  O  N N 374 
VAL H    H  N N 375 
VAL H2   H  N N 376 
VAL HA   H  N N 377 
VAL HB   H  N N 378 
VAL HG11 H  N N 379 
VAL HG12 H  N N 380 
VAL HG13 H  N N 381 
VAL HG21 H  N N 382 
VAL HG22 H  N N 383 
VAL HG23 H  N N 384 
VAL HXT  H  N N 385 
ZN  ZN   ZN N N 386 
# 
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  
CYS N   CA   sing N N 55  
CYS N   H    sing N N 56  
CYS N   H2   sing N N 57  
CYS CA  C    sing N N 58  
CYS CA  CB   sing N N 59  
CYS CA  HA   sing N N 60  
CYS C   O    doub N N 61  
CYS C   OXT  sing N N 62  
CYS CB  SG   sing N N 63  
CYS CB  HB2  sing N N 64  
CYS CB  HB3  sing N N 65  
CYS SG  HG   sing N N 66  
CYS OXT HXT  sing N N 67  
GLN N   CA   sing N N 68  
GLN N   H    sing N N 69  
GLN N   H2   sing N N 70  
GLN CA  C    sing N N 71  
GLN CA  CB   sing N N 72  
GLN CA  HA   sing N N 73  
GLN C   O    doub N N 74  
GLN C   OXT  sing N N 75  
GLN CB  CG   sing N N 76  
GLN CB  HB2  sing N N 77  
GLN CB  HB3  sing N N 78  
GLN CG  CD   sing N N 79  
GLN CG  HG2  sing N N 80  
GLN CG  HG3  sing N N 81  
GLN CD  OE1  doub N N 82  
GLN CD  NE2  sing N N 83  
GLN NE2 HE21 sing N N 84  
GLN NE2 HE22 sing N N 85  
GLN OXT HXT  sing N N 86  
GLU N   CA   sing N N 87  
GLU N   H    sing N N 88  
GLU N   H2   sing N N 89  
GLU CA  C    sing N N 90  
GLU CA  CB   sing N N 91  
GLU CA  HA   sing N N 92  
GLU C   O    doub N N 93  
GLU C   OXT  sing N N 94  
GLU CB  CG   sing N N 95  
GLU CB  HB2  sing N N 96  
GLU CB  HB3  sing N N 97  
GLU CG  CD   sing N N 98  
GLU CG  HG2  sing N N 99  
GLU CG  HG3  sing N N 100 
GLU CD  OE1  doub N N 101 
GLU CD  OE2  sing N N 102 
GLU OE2 HE2  sing N N 103 
GLU OXT HXT  sing N N 104 
GLY N   CA   sing N N 105 
GLY N   H    sing N N 106 
GLY N   H2   sing N N 107 
GLY CA  C    sing N N 108 
GLY CA  HA2  sing N N 109 
GLY CA  HA3  sing N N 110 
GLY C   O    doub N N 111 
GLY C   OXT  sing N N 112 
GLY OXT HXT  sing N N 113 
HIS N   CA   sing N N 114 
HIS N   H    sing N N 115 
HIS N   H2   sing N N 116 
HIS CA  C    sing N N 117 
HIS CA  CB   sing N N 118 
HIS CA  HA   sing N N 119 
HIS C   O    doub N N 120 
HIS C   OXT  sing N N 121 
HIS CB  CG   sing N N 122 
HIS CB  HB2  sing N N 123 
HIS CB  HB3  sing N N 124 
HIS CG  ND1  sing Y N 125 
HIS CG  CD2  doub Y N 126 
HIS ND1 CE1  doub Y N 127 
HIS ND1 HD1  sing N N 128 
HIS CD2 NE2  sing Y N 129 
HIS CD2 HD2  sing N N 130 
HIS CE1 NE2  sing Y N 131 
HIS CE1 HE1  sing N N 132 
HIS NE2 HE2  sing N N 133 
HIS OXT HXT  sing N N 134 
HOH O   H1   sing N N 135 
HOH O   H2   sing N N 136 
ILE N   CA   sing N N 137 
ILE N   H    sing N N 138 
ILE N   H2   sing N N 139 
ILE CA  C    sing N N 140 
ILE CA  CB   sing N N 141 
ILE CA  HA   sing N N 142 
ILE C   O    doub N N 143 
ILE C   OXT  sing N N 144 
ILE CB  CG1  sing N N 145 
ILE CB  CG2  sing N N 146 
ILE CB  HB   sing N N 147 
ILE CG1 CD1  sing N N 148 
ILE CG1 HG12 sing N N 149 
ILE CG1 HG13 sing N N 150 
ILE CG2 HG21 sing N N 151 
ILE CG2 HG22 sing N N 152 
ILE CG2 HG23 sing N N 153 
ILE CD1 HD11 sing N N 154 
ILE CD1 HD12 sing N N 155 
ILE CD1 HD13 sing N N 156 
ILE OXT HXT  sing N N 157 
IPH C1  C2   doub Y N 158 
IPH C1  C6   sing Y N 159 
IPH C1  O1   sing N N 160 
IPH C2  C3   sing Y N 161 
IPH C2  H2   sing N N 162 
IPH C3  C4   doub Y N 163 
IPH C3  H3   sing N N 164 
IPH C4  C5   sing Y N 165 
IPH C4  H4   sing N N 166 
IPH C5  C6   doub Y N 167 
IPH C5  H5   sing N N 168 
IPH C6  H6   sing N N 169 
IPH O1  HO1  sing N N 170 
LEU N   CA   sing N N 171 
LEU N   H    sing N N 172 
LEU N   H2   sing N N 173 
LEU CA  C    sing N N 174 
LEU CA  CB   sing N N 175 
LEU CA  HA   sing N N 176 
LEU C   O    doub N N 177 
LEU C   OXT  sing N N 178 
LEU CB  CG   sing N N 179 
LEU CB  HB2  sing N N 180 
LEU CB  HB3  sing N N 181 
LEU CG  CD1  sing N N 182 
LEU CG  CD2  sing N N 183 
LEU CG  HG   sing N N 184 
LEU CD1 HD11 sing N N 185 
LEU CD1 HD12 sing N N 186 
LEU CD1 HD13 sing N N 187 
LEU CD2 HD21 sing N N 188 
LEU CD2 HD22 sing N N 189 
LEU CD2 HD23 sing N N 190 
LEU OXT HXT  sing N N 191 
LYS N   CA   sing N N 192 
LYS N   H    sing N N 193 
LYS N   H2   sing N N 194 
LYS CA  C    sing N N 195 
LYS CA  CB   sing N N 196 
LYS CA  HA   sing N N 197 
LYS C   O    doub N N 198 
LYS C   OXT  sing N N 199 
LYS CB  CG   sing N N 200 
LYS CB  HB2  sing N N 201 
LYS CB  HB3  sing N N 202 
LYS CG  CD   sing N N 203 
LYS CG  HG2  sing N N 204 
LYS CG  HG3  sing N N 205 
LYS CD  CE   sing N N 206 
LYS CD  HD2  sing N N 207 
LYS CD  HD3  sing N N 208 
LYS CE  NZ   sing N N 209 
LYS CE  HE2  sing N N 210 
LYS CE  HE3  sing N N 211 
LYS NZ  HZ1  sing N N 212 
LYS NZ  HZ2  sing N N 213 
LYS NZ  HZ3  sing N N 214 
LYS OXT HXT  sing N N 215 
MYR C1  O1   doub N N 216 
MYR C1  O2   sing N N 217 
MYR C1  C2   sing N N 218 
MYR O2  HO2  sing N N 219 
MYR C2  C3   sing N N 220 
MYR C2  H21  sing N N 221 
MYR C2  H22  sing N N 222 
MYR C3  C4   sing N N 223 
MYR C3  H31  sing N N 224 
MYR C3  H32  sing N N 225 
MYR C4  C5   sing N N 226 
MYR C4  H41  sing N N 227 
MYR C4  H42  sing N N 228 
MYR C5  C6   sing N N 229 
MYR C5  H51  sing N N 230 
MYR C5  H52  sing N N 231 
MYR C6  C7   sing N N 232 
MYR C6  H61  sing N N 233 
MYR C6  H62  sing N N 234 
MYR C7  C8   sing N N 235 
MYR C7  H71  sing N N 236 
MYR C7  H72  sing N N 237 
MYR C8  C9   sing N N 238 
MYR C8  H81  sing N N 239 
MYR C8  H82  sing N N 240 
MYR C9  C10  sing N N 241 
MYR C9  H91  sing N N 242 
MYR C9  H92  sing N N 243 
MYR C10 C11  sing N N 244 
MYR C10 H101 sing N N 245 
MYR C10 H102 sing N N 246 
MYR C11 C12  sing N N 247 
MYR C11 H111 sing N N 248 
MYR C11 H112 sing N N 249 
MYR C12 C13  sing N N 250 
MYR C12 H121 sing N N 251 
MYR C12 H122 sing N N 252 
MYR C13 C14  sing N N 253 
MYR C13 H131 sing N N 254 
MYR C13 H132 sing N N 255 
MYR C14 H141 sing N N 256 
MYR C14 H142 sing N N 257 
MYR C14 H143 sing N N 258 
PHE N   CA   sing N N 259 
PHE N   H    sing N N 260 
PHE N   H2   sing N N 261 
PHE CA  C    sing N N 262 
PHE CA  CB   sing N N 263 
PHE CA  HA   sing N N 264 
PHE C   O    doub N N 265 
PHE C   OXT  sing N N 266 
PHE CB  CG   sing N N 267 
PHE CB  HB2  sing N N 268 
PHE CB  HB3  sing N N 269 
PHE CG  CD1  doub Y N 270 
PHE CG  CD2  sing Y N 271 
PHE CD1 CE1  sing Y N 272 
PHE CD1 HD1  sing N N 273 
PHE CD2 CE2  doub Y N 274 
PHE CD2 HD2  sing N N 275 
PHE CE1 CZ   doub Y N 276 
PHE CE1 HE1  sing N N 277 
PHE CE2 CZ   sing Y N 278 
PHE CE2 HE2  sing N N 279 
PHE CZ  HZ   sing N N 280 
PHE OXT HXT  sing N N 281 
PRO N   CA   sing N N 282 
PRO N   CD   sing N N 283 
PRO N   H    sing N N 284 
PRO CA  C    sing N N 285 
PRO CA  CB   sing N N 286 
PRO CA  HA   sing N N 287 
PRO C   O    doub N N 288 
PRO C   OXT  sing N N 289 
PRO CB  CG   sing N N 290 
PRO CB  HB2  sing N N 291 
PRO CB  HB3  sing N N 292 
PRO CG  CD   sing N N 293 
PRO CG  HG2  sing N N 294 
PRO CG  HG3  sing N N 295 
PRO CD  HD2  sing N N 296 
PRO CD  HD3  sing N N 297 
PRO OXT HXT  sing N N 298 
SER N   CA   sing N N 299 
SER N   H    sing N N 300 
SER N   H2   sing N N 301 
SER CA  C    sing N N 302 
SER CA  CB   sing N N 303 
SER CA  HA   sing N N 304 
SER C   O    doub N N 305 
SER C   OXT  sing N N 306 
SER CB  OG   sing N N 307 
SER CB  HB2  sing N N 308 
SER CB  HB3  sing N N 309 
SER OG  HG   sing N N 310 
SER OXT HXT  sing N N 311 
THR N   CA   sing N N 312 
THR N   H    sing N N 313 
THR N   H2   sing N N 314 
THR CA  C    sing N N 315 
THR CA  CB   sing N N 316 
THR CA  HA   sing N N 317 
THR C   O    doub N N 318 
THR C   OXT  sing N N 319 
THR CB  OG1  sing N N 320 
THR CB  CG2  sing N N 321 
THR CB  HB   sing N N 322 
THR OG1 HG1  sing N N 323 
THR CG2 HG21 sing N N 324 
THR CG2 HG22 sing N N 325 
THR CG2 HG23 sing N N 326 
THR OXT HXT  sing N N 327 
TYR N   CA   sing N N 328 
TYR N   H    sing N N 329 
TYR N   H2   sing N N 330 
TYR CA  C    sing N N 331 
TYR CA  CB   sing N N 332 
TYR CA  HA   sing N N 333 
TYR C   O    doub N N 334 
TYR C   OXT  sing N N 335 
TYR CB  CG   sing N N 336 
TYR CB  HB2  sing N N 337 
TYR CB  HB3  sing N N 338 
TYR CG  CD1  doub Y N 339 
TYR CG  CD2  sing Y N 340 
TYR CD1 CE1  sing Y N 341 
TYR CD1 HD1  sing N N 342 
TYR CD2 CE2  doub Y N 343 
TYR CD2 HD2  sing N N 344 
TYR CE1 CZ   doub Y N 345 
TYR CE1 HE1  sing N N 346 
TYR CE2 CZ   sing Y N 347 
TYR CE2 HE2  sing N N 348 
TYR CZ  OH   sing N N 349 
TYR OH  HH   sing N N 350 
TYR OXT HXT  sing N N 351 
VAL N   CA   sing N N 352 
VAL N   H    sing N N 353 
VAL N   H2   sing N N 354 
VAL CA  C    sing N N 355 
VAL CA  CB   sing N N 356 
VAL CA  HA   sing N N 357 
VAL C   O    doub N N 358 
VAL C   OXT  sing N N 359 
VAL CB  CG1  sing N N 360 
VAL CB  CG2  sing N N 361 
VAL CB  HB   sing N N 362 
VAL CG1 HG11 sing N N 363 
VAL CG1 HG12 sing N N 364 
VAL CG1 HG13 sing N N 365 
VAL CG2 HG21 sing N N 366 
VAL CG2 HG22 sing N N 367 
VAL CG2 HG23 sing N N 368 
VAL OXT HXT  sing N N 369 
# 
_pdbx_audit_support.funding_organization   'Other government' 
_pdbx_audit_support.country                Turkey 
_pdbx_audit_support.grant_number           ? 
_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   1XDA 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9LVY 
_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]   0.012309 
_atom_sites.fract_transf_matrix[1][2]   0.007107 
_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]   0.014213 
_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]   0.024800 
_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  
ZN 
# 
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   . GLY A 1 1  ? -9.287  18.443 -5.447  1.00 67.15  ? 1   GLY A N   1 
ATOM   2   C  CA  . GLY A 1 1  ? -8.240  17.844 -6.254  1.00 73.71  ? 1   GLY A CA  1 
ATOM   3   C  C   . GLY A 1 1  ? -8.543  16.419 -6.671  1.00 73.27  ? 1   GLY A C   1 
ATOM   4   O  O   . GLY A 1 1  ? -9.094  15.639 -5.895  1.00 74.50  ? 1   GLY A O   1 
ATOM   5   N  N   . ILE A 1 2  ? -8.179  16.080 -7.910  1.00 71.90  ? 2   ILE A N   1 
ATOM   6   C  CA  . ILE A 1 2  ? -8.427  14.734 -8.417  1.00 79.53  ? 2   ILE A CA  1 
ATOM   7   C  C   . ILE A 1 2  ? -7.595  13.707 -7.656  1.00 82.58  ? 2   ILE A C   1 
ATOM   8   O  O   . ILE A 1 2  ? -8.045  12.577 -7.430  1.00 69.59  ? 2   ILE A O   1 
ATOM   9   C  CB  . ILE A 1 2  ? -8.164  14.684 -9.935  1.00 77.71  ? 2   ILE A CB  1 
ATOM   10  C  CG1 . ILE A 1 2  ? -8.528  13.313 -10.508 1.00 69.28  ? 2   ILE A CG1 1 
ATOM   11  C  CG2 . ILE A 1 2  ? -6.715  15.043 -10.255 1.00 79.88  ? 2   ILE A CG2 1 
ATOM   12  C  CD1 . ILE A 1 2  ? -8.434  13.245 -12.018 1.00 69.47  ? 2   ILE A CD1 1 
ATOM   13  N  N   . VAL A 1 3  ? -6.380  14.076 -7.246  1.00 93.89  ? 3   VAL A N   1 
ATOM   14  C  CA  . VAL A 1 3  ? -5.546  13.169 -6.465  1.00 96.58  ? 3   VAL A CA  1 
ATOM   15  C  C   . VAL A 1 3  ? -6.158  12.929 -5.089  1.00 97.63  ? 3   VAL A C   1 
ATOM   16  O  O   . VAL A 1 3  ? -6.099  11.815 -4.553  1.00 100.71 ? 3   VAL A O   1 
ATOM   17  C  CB  . VAL A 1 3  ? -4.110  13.722 -6.370  1.00 97.54  ? 3   VAL A CB  1 
ATOM   18  C  CG1 . VAL A 1 3  ? -4.121  15.176 -5.914  1.00 95.72  ? 3   VAL A CG1 1 
ATOM   19  C  CG2 . VAL A 1 3  ? -3.262  12.872 -5.437  1.00 95.89  ? 3   VAL A CG2 1 
ATOM   20  N  N   . GLU A 1 4  ? -6.766  13.957 -4.502  1.00 85.81  ? 4   GLU A N   1 
ATOM   21  C  CA  . GLU A 1 4  ? -7.332  13.855 -3.163  1.00 83.18  ? 4   GLU A CA  1 
ATOM   22  C  C   . GLU A 1 4  ? -8.732  13.256 -3.147  1.00 74.97  ? 4   GLU A C   1 
ATOM   23  O  O   . GLU A 1 4  ? -9.280  13.039 -2.060  1.00 73.20  ? 4   GLU A O   1 
ATOM   24  C  CB  . GLU A 1 4  ? -7.354  15.235 -2.501  1.00 81.12  ? 4   GLU A CB  1 
ATOM   25  C  CG  . GLU A 1 4  ? -5.988  15.894 -2.412  1.00 75.35  ? 4   GLU A CG  1 
ATOM   26  C  CD  . GLU A 1 4  ? -5.952  17.253 -3.081  1.00 72.73  ? 4   GLU A CD  1 
ATOM   27  O  OE1 . GLU A 1 4  ? -7.020  17.890 -3.192  1.00 68.42  ? 4   GLU A OE1 1 
ATOM   28  O  OE2 . GLU A 1 4  ? -4.855  17.681 -3.500  1.00 69.65  ? 4   GLU A OE2 1 
ATOM   29  N  N   . GLN A 1 5  ? -9.325  12.985 -4.308  1.00 75.00  ? 5   GLN A N   1 
ATOM   30  C  CA  . GLN A 1 5  ? -10.670 12.428 -4.374  1.00 78.03  ? 5   GLN A CA  1 
ATOM   31  C  C   . GLN A 1 5  ? -10.705 11.041 -4.994  1.00 79.02  ? 5   GLN A C   1 
ATOM   32  O  O   . GLN A 1 5  ? -11.273 10.117 -4.399  1.00 76.73  ? 5   GLN A O   1 
ATOM   33  C  CB  . GLN A 1 5  ? -11.596 13.374 -5.158  1.00 67.77  ? 5   GLN A CB  1 
ATOM   34  C  CG  . GLN A 1 5  ? -11.852 14.707 -4.473  1.00 69.28  ? 5   GLN A CG  1 
ATOM   35  C  CD  . GLN A 1 5  ? -12.762 15.611 -5.281  1.00 70.05  ? 5   GLN A CD  1 
ATOM   36  O  OE1 . GLN A 1 5  ? -13.210 15.248 -6.369  1.00 71.98  ? 5   GLN A OE1 1 
ATOM   37  N  NE2 . GLN A 1 5  ? -13.041 16.798 -4.753  1.00 66.03  ? 5   GLN A NE2 1 
ATOM   38  N  N   . CYS A 1 6  ? -10.114 10.863 -6.173  1.00 90.95  ? 6   CYS A N   1 
ATOM   39  C  CA  . CYS A 1 6  ? -10.203 9.601  -6.895  1.00 87.70  ? 6   CYS A CA  1 
ATOM   40  C  C   . CYS A 1 6  ? -9.069  8.634  -6.581  1.00 79.69  ? 6   CYS A C   1 
ATOM   41  O  O   . CYS A 1 6  ? -9.084  7.506  -7.086  1.00 77.00  ? 6   CYS A O   1 
ATOM   42  C  CB  . CYS A 1 6  ? -10.252 9.860  -8.403  1.00 76.37  ? 6   CYS A CB  1 
ATOM   43  S  SG  . CYS A 1 6  ? -11.861 10.434 -8.965  1.00 68.72  ? 6   CYS A SG  1 
ATOM   44  N  N   . CYS A 1 7  ? -8.092  9.035  -5.769  1.00 88.89  ? 7   CYS A N   1 
ATOM   45  C  CA  . CYS A 1 7  ? -6.996  8.150  -5.403  1.00 89.58  ? 7   CYS A CA  1 
ATOM   46  C  C   . CYS A 1 7  ? -7.037  7.701  -3.950  1.00 90.66  ? 7   CYS A C   1 
ATOM   47  O  O   . CYS A 1 7  ? -6.328  6.753  -3.594  1.00 91.15  ? 7   CYS A O   1 
ATOM   48  C  CB  . CYS A 1 7  ? -5.647  8.820  -5.701  1.00 90.87  ? 7   CYS A CB  1 
ATOM   49  S  SG  . CYS A 1 7  ? -5.123  8.649  -7.420  1.00 89.84  ? 7   CYS A SG  1 
ATOM   50  N  N   . THR A 1 8  ? -7.841  8.348  -3.105  1.00 88.93  ? 8   THR A N   1 
ATOM   51  C  CA  . THR A 1 8  ? -8.094  7.861  -1.757  1.00 93.69  ? 8   THR A CA  1 
ATOM   52  C  C   . THR A 1 8  ? -9.381  7.055  -1.657  1.00 91.60  ? 8   THR A C   1 
ATOM   53  O  O   . THR A 1 8  ? -9.526  6.259  -0.723  1.00 85.28  ? 8   THR A O   1 
ATOM   54  C  CB  . THR A 1 8  ? -8.151  9.033  -0.769  1.00 88.08  ? 8   THR A CB  1 
ATOM   55  O  OG1 . THR A 1 8  ? -9.239  9.899  -1.115  1.00 87.03  ? 8   THR A OG1 1 
ATOM   56  C  CG2 . THR A 1 8  ? -6.846  9.821  -0.814  1.00 89.45  ? 8   THR A CG2 1 
ATOM   57  N  N   . SER A 1 9  ? -10.309 7.247  -2.591  1.00 99.34  ? 9   SER A N   1 
ATOM   58  C  CA  . SER A 1 9  ? -11.500 6.422  -2.724  1.00 98.54  ? 9   SER A CA  1 
ATOM   59  C  C   . SER A 1 9  ? -11.680 6.074  -4.194  1.00 94.50  ? 9   SER A C   1 
ATOM   60  O  O   . SER A 1 9  ? -11.390 6.894  -5.071  1.00 94.31  ? 9   SER A O   1 
ATOM   61  C  CB  . SER A 1 9  ? -12.747 7.136  -2.187  1.00 97.60  ? 9   SER A CB  1 
ATOM   62  O  OG  . SER A 1 9  ? -13.002 8.334  -2.897  1.00 101.58 ? 9   SER A OG  1 
ATOM   63  N  N   . ILE A 1 10 ? -12.149 4.855  -4.459  1.00 87.57  ? 10  ILE A N   1 
ATOM   64  C  CA  . ILE A 1 10 ? -12.294 4.391  -5.833  1.00 86.03  ? 10  ILE A CA  1 
ATOM   65  C  C   . ILE A 1 10 ? -13.369 5.209  -6.535  1.00 83.39  ? 10  ILE A C   1 
ATOM   66  O  O   . ILE A 1 10 ? -14.465 5.419  -5.999  1.00 79.31  ? 10  ILE A O   1 
ATOM   67  C  CB  . ILE A 1 10 ? -12.622 2.891  -5.867  1.00 82.10  ? 10  ILE A CB  1 
ATOM   68  C  CG1 . ILE A 1 10 ? -11.566 2.097  -5.097  1.00 85.51  ? 10  ILE A CG1 1 
ATOM   69  C  CG2 . ILE A 1 10 ? -12.706 2.397  -7.303  1.00 75.69  ? 10  ILE A CG2 1 
ATOM   70  C  CD1 . ILE A 1 10 ? -11.819 0.608  -5.077  1.00 90.62  ? 10  ILE A CD1 1 
ATOM   71  N  N   . CYS A 1 11 ? -13.057 5.679  -7.739  1.00 84.96  ? 11  CYS A N   1 
ATOM   72  C  CA  . CYS A 1 11 ? -13.952 6.527  -8.513  1.00 81.58  ? 11  CYS A CA  1 
ATOM   73  C  C   . CYS A 1 11 ? -14.595 5.722  -9.634  1.00 74.48  ? 11  CYS A C   1 
ATOM   74  O  O   . CYS A 1 11 ? -13.909 4.984  -10.349 1.00 74.26  ? 11  CYS A O   1 
ATOM   75  C  CB  . CYS A 1 11 ? -13.201 7.724  -9.097  1.00 76.37  ? 11  CYS A CB  1 
ATOM   76  S  SG  . CYS A 1 11 ? -13.146 9.175  -8.025  1.00 77.77  ? 11  CYS A SG  1 
ATOM   77  N  N   . SER A 1 12 ? -15.910 5.866  -9.781  1.00 73.86  ? 12  SER A N   1 
ATOM   78  C  CA  . SER A 1 12 ? -16.608 5.257  -10.899 1.00 93.77  ? 12  SER A CA  1 
ATOM   79  C  C   . SER A 1 12 ? -16.293 6.015  -12.188 1.00 91.23  ? 12  SER A C   1 
ATOM   80  O  O   . SER A 1 12 ? -15.660 7.074  -12.181 1.00 83.56  ? 12  SER A O   1 
ATOM   81  C  CB  . SER A 1 12 ? -18.114 5.233  -10.644 1.00 74.70  ? 12  SER A CB  1 
ATOM   82  O  OG  . SER A 1 12 ? -18.802 4.603  -11.711 1.00 71.75  ? 12  SER A OG  1 
ATOM   83  N  N   . LEU A 1 13 ? -16.754 5.456  -13.310 1.00 79.68  ? 13  LEU A N   1 
ATOM   84  C  CA  . LEU A 1 13 ? -16.444 6.039  -14.612 1.00 83.26  ? 13  LEU A CA  1 
ATOM   85  C  C   . LEU A 1 13 ? -16.956 7.470  -14.718 1.00 79.90  ? 13  LEU A C   1 
ATOM   86  O  O   . LEU A 1 13 ? -16.278 8.339  -15.280 1.00 76.87  ? 13  LEU A O   1 
ATOM   87  C  CB  . LEU A 1 13 ? -17.032 5.182  -15.734 1.00 84.37  ? 13  LEU A CB  1 
ATOM   88  C  CG  . LEU A 1 13 ? -16.320 3.869  -16.073 1.00 80.00  ? 13  LEU A CG  1 
ATOM   89  C  CD1 . LEU A 1 13 ? -14.817 4.088  -16.169 1.00 75.35  ? 13  LEU A CD1 1 
ATOM   90  C  CD2 . LEU A 1 13 ? -16.657 2.775  -15.070 1.00 82.24  ? 13  LEU A CD2 1 
ATOM   91  N  N   . TYR A 1 14 ? -18.152 7.735  -14.188 1.00 80.10  ? 14  TYR A N   1 
ATOM   92  C  CA  . TYR A 1 14 ? -18.683 9.092  -14.239 1.00 83.33  ? 14  TYR A CA  1 
ATOM   93  C  C   . TYR A 1 14 ? -17.866 10.051 -13.382 1.00 90.74  ? 14  TYR A C   1 
ATOM   94  O  O   . TYR A 1 14 ? -17.788 11.245 -13.697 1.00 86.53  ? 14  TYR A O   1 
ATOM   95  C  CB  . TYR A 1 14 ? -20.146 9.115  -13.802 1.00 94.38  ? 14  TYR A CB  1 
ATOM   96  C  CG  . TYR A 1 14 ? -20.712 10.515 -13.744 0.55 86.23  ? 14  TYR A CG  1 
ATOM   97  C  CD1 . TYR A 1 14 ? -21.043 11.196 -14.908 0.82 85.85  ? 14  TYR A CD1 1 
ATOM   98  C  CD2 . TYR A 1 14 ? -20.894 11.162 -12.530 1.00 81.20  ? 14  TYR A CD2 1 
ATOM   99  C  CE1 . TYR A 1 14 ? -21.550 12.480 -14.863 1.00 82.11  ? 14  TYR A CE1 1 
ATOM   100 C  CE2 . TYR A 1 14 ? -21.400 12.446 -12.475 0.69 81.84  ? 14  TYR A CE2 1 
ATOM   101 C  CZ  . TYR A 1 14 ? -21.726 13.100 -13.644 0.91 83.32  ? 14  TYR A CZ  1 
ATOM   102 O  OH  . TYR A 1 14 ? -22.233 14.378 -13.594 0.00 85.56  ? 14  TYR A OH  1 
ATOM   103 N  N   . GLN A 1 15 ? -17.262 9.560  -12.297 1.00 102.75 ? 15  GLN A N   1 
ATOM   104 C  CA  . GLN A 1 15 ? -16.418 10.426 -11.481 1.00 101.40 ? 15  GLN A CA  1 
ATOM   105 C  C   . GLN A 1 15 ? -15.212 10.930 -12.264 1.00 97.63  ? 15  GLN A C   1 
ATOM   106 O  O   . GLN A 1 15 ? -14.704 12.021 -11.985 1.00 97.28  ? 15  GLN A O   1 
ATOM   107 C  CB  . GLN A 1 15 ? -15.970 9.694  -10.216 1.00 100.99 ? 15  GLN A CB  1 
ATOM   108 C  CG  . GLN A 1 15 ? -17.098 9.373  -9.247  1.00 103.30 ? 15  GLN A CG  1 
ATOM   109 C  CD  . GLN A 1 15 ? -16.789 9.815  -7.829  1.00 107.46 ? 15  GLN A CD  1 
ATOM   110 O  OE1 . GLN A 1 15 ? -16.730 8.997  -6.911  1.00 107.18 ? 15  GLN A OE1 1 
ATOM   111 N  NE2 . GLN A 1 15 ? -16.592 11.115 -7.644  1.00 110.43 ? 15  GLN A NE2 1 
ATOM   112 N  N   . LEU A 1 16 ? -14.740 10.154 -13.243 1.00 78.88  ? 16  LEU A N   1 
ATOM   113 C  CA  . LEU A 1 16 ? -13.680 10.625 -14.123 1.00 75.08  ? 16  LEU A CA  1 
ATOM   114 C  C   . LEU A 1 16 ? -14.186 11.590 -15.187 1.00 70.64  ? 16  LEU A C   1 
ATOM   115 O  O   . LEU A 1 16 ? -13.380 12.327 -15.765 1.00 74.38  ? 16  LEU A O   1 
ATOM   116 C  CB  . LEU A 1 16 ? -12.978 9.440  -14.796 1.00 71.18  ? 16  LEU A CB  1 
ATOM   117 C  CG  . LEU A 1 16 ? -12.035 8.595  -13.932 1.00 60.93  ? 16  LEU A CG  1 
ATOM   118 C  CD1 . LEU A 1 16 ? -11.378 9.447  -12.860 1.00 65.99  ? 16  LEU A CD1 1 
ATOM   119 C  CD2 . LEU A 1 16 ? -12.744 7.399  -13.320 1.00 68.25  ? 16  LEU A CD2 1 
ATOM   120 N  N   . GLU A 1 17 ? -15.494 11.602 -15.461 1.00 71.17  ? 17  GLU A N   1 
ATOM   121 C  CA  . GLU A 1 17 ? -16.044 12.503 -16.469 1.00 71.27  ? 17  GLU A CA  1 
ATOM   122 C  C   . GLU A 1 17 ? -15.942 13.966 -16.064 1.00 68.41  ? 17  GLU A C   1 
ATOM   123 O  O   . GLU A 1 17 ? -15.942 14.835 -16.941 1.00 67.10  ? 17  GLU A O   1 
ATOM   124 C  CB  . GLU A 1 17 ? -17.511 12.163 -16.745 1.00 77.00  ? 17  GLU A CB  1 
ATOM   125 C  CG  . GLU A 1 17 ? -17.750 10.769 -17.301 1.00 79.33  ? 17  GLU A CG  1 
ATOM   126 C  CD  . GLU A 1 17 ? -18.194 10.787 -18.752 1.00 73.12  ? 17  GLU A CD  1 
ATOM   127 O  OE1 . GLU A 1 17 ? -18.096 11.855 -19.391 1.00 65.43  ? 17  GLU A OE1 1 
ATOM   128 O  OE2 . GLU A 1 17 ? -18.645 9.735  -19.253 1.00 80.12  ? 17  GLU A OE2 1 
ATOM   129 N  N   . ASN A 1 18 ? -15.858 14.256 -14.764 1.00 82.96  ? 18  ASN A N   1 
ATOM   130 C  CA  . ASN A 1 18 ? -15.919 15.638 -14.301 1.00 80.30  ? 18  ASN A CA  1 
ATOM   131 C  C   . ASN A 1 18 ? -14.708 16.447 -14.747 1.00 80.45  ? 18  ASN A C   1 
ATOM   132 O  O   . ASN A 1 18 ? -14.827 17.652 -14.991 1.00 84.74  ? 18  ASN A O   1 
ATOM   133 C  CB  . ASN A 1 18 ? -16.044 15.671 -12.777 1.00 83.89  ? 18  ASN A CB  1 
ATOM   134 C  CG  . ASN A 1 18 ? -17.229 14.879 -12.268 1.00 88.74  ? 18  ASN A CG  1 
ATOM   135 O  OD1 . ASN A 1 18 ? -18.253 14.768 -12.939 1.00 88.48  ? 18  ASN A OD1 1 
ATOM   136 N  ND2 . ASN A 1 18 ? -17.091 14.315 -11.074 1.00 94.04  ? 18  ASN A ND2 1 
ATOM   137 N  N   . TYR A 1 19 ? -13.543 15.815 -14.862 1.00 68.11  ? 19  TYR A N   1 
ATOM   138 C  CA  . TYR A 1 19 ? -12.306 16.517 -15.172 1.00 62.24  ? 19  TYR A CA  1 
ATOM   139 C  C   . TYR A 1 19 ? -12.031 16.604 -16.667 1.00 56.59  ? 19  TYR A C   1 
ATOM   140 O  O   . TYR A 1 19 ? -10.946 17.046 -17.059 1.00 59.71  ? 19  TYR A O   1 
ATOM   141 C  CB  . TYR A 1 19 ? -11.132 15.842 -14.458 1.00 67.79  ? 19  TYR A CB  1 
ATOM   142 C  CG  . TYR A 1 19 ? -11.296 15.793 -12.955 1.00 66.87  ? 19  TYR A CG  1 
ATOM   143 C  CD1 . TYR A 1 19 ? -10.938 16.876 -12.162 1.00 69.71  ? 19  TYR A CD1 1 
ATOM   144 C  CD2 . TYR A 1 19 ? -11.815 14.668 -12.331 1.00 66.80  ? 19  TYR A CD2 1 
ATOM   145 C  CE1 . TYR A 1 19 ? -11.091 16.837 -10.787 1.00 75.83  ? 19  TYR A CE1 1 
ATOM   146 C  CE2 . TYR A 1 19 ? -11.971 14.619 -10.958 1.00 70.52  ? 19  TYR A CE2 1 
ATOM   147 C  CZ  . TYR A 1 19 ? -11.608 15.706 -10.191 1.00 75.54  ? 19  TYR A CZ  1 
ATOM   148 O  OH  . TYR A 1 19 ? -11.762 15.662 -8.823  1.00 73.77  ? 19  TYR A OH  1 
ATOM   149 N  N   . CYS A 1 20 ? -12.980 16.199 -17.504 1.00 65.97  ? 20  CYS A N   1 
ATOM   150 C  CA  . CYS A 1 20 ? -12.801 16.266 -18.947 1.00 64.39  ? 20  CYS A CA  1 
ATOM   151 C  C   . CYS A 1 20 ? -13.037 17.682 -19.454 1.00 64.29  ? 20  CYS A C   1 
ATOM   152 O  O   . CYS A 1 20 ? -13.957 18.374 -19.005 1.00 65.12  ? 20  CYS A O   1 
ATOM   153 C  CB  . CYS A 1 20 ? -13.751 15.295 -19.646 1.00 63.62  ? 20  CYS A CB  1 
ATOM   154 S  SG  . CYS A 1 20 ? -13.363 13.563 -19.355 1.00 47.03  ? 20  CYS A SG  1 
ATOM   155 N  N   . ASN A 1 21 ? -12.201 18.109 -20.395 1.00 59.24  ? 21  ASN A N   1 
ATOM   156 C  CA  . ASN A 1 21 ? -12.307 19.445 -20.968 1.00 55.56  ? 21  ASN A CA  1 
ATOM   157 C  C   . ASN A 1 21 ? -13.611 19.612 -21.737 1.00 46.87  ? 21  ASN A C   1 
ATOM   158 O  O   . ASN A 1 21 ? -14.182 20.701 -21.787 1.00 55.02  ? 21  ASN A O   1 
ATOM   159 C  CB  . ASN A 1 21 ? -11.114 19.731 -21.883 1.00 59.74  ? 21  ASN A CB  1 
ATOM   160 C  CG  . ASN A 1 21 ? -9.799  19.766 -21.131 1.00 66.42  ? 21  ASN A CG  1 
ATOM   161 O  OD1 . ASN A 1 21 ? -9.695  19.252 -20.017 1.00 65.71  ? 21  ASN A OD1 1 
ATOM   162 N  ND2 . ASN A 1 21 ? -8.785  20.375 -21.736 1.00 63.94  ? 21  ASN A ND2 1 
ATOM   163 O  OXT . ASN A 1 21 ? -14.127 18.661 -22.321 1.00 50.72  ? 21  ASN A OXT 1 
ATOM   164 N  N   . PHE B 2 1  ? 5.068   9.998  -1.365  1.00 79.43  ? 1   PHE B N   1 
ATOM   165 C  CA  . PHE B 2 1  ? 4.469   8.670  -1.310  1.00 79.74  ? 1   PHE B CA  1 
ATOM   166 C  C   . PHE B 2 1  ? 4.411   8.060  -2.709  1.00 89.72  ? 1   PHE B C   1 
ATOM   167 O  O   . PHE B 2 1  ? 3.807   8.628  -3.619  1.00 89.54  ? 1   PHE B O   1 
ATOM   168 C  CB  . PHE B 2 1  ? 3.069   8.738  -0.693  1.00 73.79  ? 1   PHE B CB  1 
ATOM   169 C  CG  . PHE B 2 1  ? 2.687   7.513  0.093   1.00 78.22  ? 1   PHE B CG  1 
ATOM   170 C  CD1 . PHE B 2 1  ? 3.122   6.255  -0.294  1.00 80.52  ? 1   PHE B CD1 1 
ATOM   171 C  CD2 . PHE B 2 1  ? 1.896   7.622  1.225   1.00 68.83  ? 1   PHE B CD2 1 
ATOM   172 C  CE1 . PHE B 2 1  ? 2.771   5.131  0.431   1.00 80.05  ? 1   PHE B CE1 1 
ATOM   173 C  CE2 . PHE B 2 1  ? 1.543   6.502  1.954   1.00 61.56  ? 1   PHE B CE2 1 
ATOM   174 C  CZ  . PHE B 2 1  ? 1.981   5.255  1.556   1.00 69.24  ? 1   PHE B CZ  1 
ATOM   175 N  N   . VAL B 2 2  ? 5.048   6.897  -2.869  1.00 108.91 ? 2   VAL B N   1 
ATOM   176 C  CA  . VAL B 2 2  ? 5.082   6.240  -4.173  1.00 106.96 ? 2   VAL B CA  1 
ATOM   177 C  C   . VAL B 2 2  ? 3.691   5.780  -4.586  1.00 104.30 ? 2   VAL B C   1 
ATOM   178 O  O   . VAL B 2 2  ? 3.384   5.704  -5.783  1.00 100.90 ? 2   VAL B O   1 
ATOM   179 C  CB  . VAL B 2 2  ? 6.079   5.067  -4.153  1.00 109.30 ? 2   VAL B CB  1 
ATOM   180 C  CG1 . VAL B 2 2  ? 6.373   4.592  -5.570  1.00 108.60 ? 2   VAL B CG1 1 
ATOM   181 C  CG2 . VAL B 2 2  ? 7.360   5.470  -3.441  1.00 111.24 ? 2   VAL B CG2 1 
ATOM   182 N  N   . ASN B 2 3  ? 2.829   5.463  -3.616  1.00 93.84  ? 3   ASN B N   1 
ATOM   183 C  CA  . ASN B 2 3  ? 1.479   5.016  -3.942  1.00 88.09  ? 3   ASN B CA  1 
ATOM   184 C  C   . ASN B 2 3  ? 0.690   6.101  -4.666  1.00 78.51  ? 3   ASN B C   1 
ATOM   185 O  O   . ASN B 2 3  ? -0.183  5.790  -5.486  1.00 67.52  ? 3   ASN B O   1 
ATOM   186 C  CB  . ASN B 2 3  ? 0.752   4.579  -2.668  1.00 83.36  ? 3   ASN B CB  1 
ATOM   187 C  CG  . ASN B 2 3  ? -0.282  3.500  -2.926  1.00 82.15  ? 3   ASN B CG  1 
ATOM   188 O  OD1 . ASN B 2 3  ? -0.785  3.358  -4.041  1.00 72.02  ? 3   ASN B OD1 1 
ATOM   189 N  ND2 . ASN B 2 3  ? -0.608  2.734  -1.891  1.00 76.77  ? 3   ASN B ND2 1 
ATOM   190 N  N   . GLN B 2 4  ? 0.977   7.374  -4.378  1.00 87.44  ? 4   GLN B N   1 
ATOM   191 C  CA  . GLN B 2 4  ? 0.335   8.465  -5.106  1.00 85.99  ? 4   GLN B CA  1 
ATOM   192 C  C   . GLN B 2 4  ? 0.723   8.456  -6.579  1.00 84.40  ? 4   GLN B C   1 
ATOM   193 O  O   . GLN B 2 4  ? -0.130  8.650  -7.453  1.00 84.98  ? 4   GLN B O   1 
ATOM   194 C  CB  . GLN B 2 4  ? 0.697   9.808  -4.472  1.00 89.21  ? 4   GLN B CB  1 
ATOM   195 C  CG  . GLN B 2 4  ? 0.182   11.014 -5.246  1.00 93.95  ? 4   GLN B CG  1 
ATOM   196 C  CD  . GLN B 2 4  ? 0.884   12.303 -4.866  1.00 96.08  ? 4   GLN B CD  1 
ATOM   197 O  OE1 . GLN B 2 4  ? 1.687   12.336 -3.935  1.00 94.14  ? 4   GLN B OE1 1 
ATOM   198 N  NE2 . GLN B 2 4  ? 0.588   13.375 -5.594  1.00 95.45  ? 4   GLN B NE2 1 
ATOM   199 N  N   . HIS B 2 5  ? 2.008   8.237  -6.872  1.00 70.53  ? 5   HIS B N   1 
ATOM   200 C  CA  . HIS B 2 5  ? 2.468   8.249  -8.257  1.00 58.25  ? 5   HIS B CA  1 
ATOM   201 C  C   . HIS B 2 5  ? 1.846   7.111  -9.055  1.00 55.86  ? 5   HIS B C   1 
ATOM   202 O  O   . HIS B 2 5  ? 1.467   7.293  -10.218 1.00 49.90  ? 5   HIS B O   1 
ATOM   203 C  CB  . HIS B 2 5  ? 3.995   8.170  -8.298  1.00 58.41  ? 5   HIS B CB  1 
ATOM   204 C  CG  . HIS B 2 5  ? 4.577   8.403  -9.657  1.00 52.01  ? 5   HIS B CG  1 
ATOM   205 N  ND1 . HIS B 2 5  ? 4.799   7.384  -10.557 1.00 44.57  ? 5   HIS B ND1 1 
ATOM   206 C  CD2 . HIS B 2 5  ? 4.984   9.541  -10.269 1.00 45.83  ? 5   HIS B CD2 1 
ATOM   207 C  CE1 . HIS B 2 5  ? 5.318   7.883  -11.665 1.00 46.00  ? 5   HIS B CE1 1 
ATOM   208 N  NE2 . HIS B 2 5  ? 5.440   9.190  -11.516 1.00 46.35  ? 5   HIS B NE2 1 
ATOM   209 N  N   . LEU B 2 6  ? 1.738   5.926  -8.448  1.00 55.23  ? 6   LEU B N   1 
ATOM   210 C  CA  . LEU B 2 6  ? 1.141   4.789  -9.141  1.00 49.09  ? 6   LEU B CA  1 
ATOM   211 C  C   . LEU B 2 6  ? -0.326  5.042  -9.464  1.00 52.03  ? 6   LEU B C   1 
ATOM   212 O  O   . LEU B 2 6  ? -0.790  4.726  -10.566 1.00 46.75  ? 6   LEU B O   1 
ATOM   213 C  CB  . LEU B 2 6  ? 1.292   3.523  -8.298  1.00 50.63  ? 6   LEU B CB  1 
ATOM   214 C  CG  . LEU B 2 6  ? 2.710   3.159  -7.853  1.00 55.07  ? 6   LEU B CG  1 
ATOM   215 C  CD1 . LEU B 2 6  ? 2.711   1.832  -7.108  1.00 54.72  ? 6   LEU B CD1 1 
ATOM   216 C  CD2 . LEU B 2 6  ? 3.653   3.112  -9.045  1.00 49.61  ? 6   LEU B CD2 1 
ATOM   217 N  N   . CYS B 2 7  ? -1.076  5.609  -8.514  1.00 59.87  ? 7   CYS B N   1 
ATOM   218 C  CA  . CYS B 2 7  ? -2.493  5.871  -8.752  1.00 55.27  ? 7   CYS B CA  1 
ATOM   219 C  C   . CYS B 2 7  ? -2.688  6.928  -9.830  1.00 51.53  ? 7   CYS B C   1 
ATOM   220 O  O   . CYS B 2 7  ? -3.621  6.835  -10.636 1.00 51.76  ? 7   CYS B O   1 
ATOM   221 C  CB  . CYS B 2 7  ? -3.182  6.296  -7.456  1.00 67.85  ? 7   CYS B CB  1 
ATOM   222 S  SG  . CYS B 2 7  ? -4.947  6.639  -7.665  1.00 73.41  ? 7   CYS B SG  1 
ATOM   223 N  N   . GLY B 2 8  ? -1.821  7.943  -9.857  1.00 48.27  ? 8   GLY B N   1 
ATOM   224 C  CA  . GLY B 2 8  ? -1.923  8.962  -10.889 1.00 46.50  ? 8   GLY B CA  1 
ATOM   225 C  C   . GLY B 2 8  ? -1.747  8.400  -12.288 1.00 49.46  ? 8   GLY B C   1 
ATOM   226 O  O   . GLY B 2 8  ? -2.392  8.854  -13.236 1.00 47.77  ? 8   GLY B O   1 
ATOM   227 N  N   . SER B 2 9  ? -0.865  7.408  -12.436 1.00 50.37  ? 9   SER B N   1 
ATOM   228 C  CA  . SER B 2 9  ? -0.660  6.785  -13.740 1.00 40.98  ? 9   SER B CA  1 
ATOM   229 C  C   . SER B 2 9  ? -1.909  6.053  -14.215 1.00 45.98  ? 9   SER B C   1 
ATOM   230 O  O   . SER B 2 9  ? -2.106  5.881  -15.424 1.00 44.99  ? 9   SER B O   1 
ATOM   231 C  CB  . SER B 2 9  ? 0.533   5.829  -13.684 1.00 34.93  ? 9   SER B CB  1 
ATOM   232 O  OG  . SER B 2 9  ? 0.341   4.835  -12.696 1.00 37.38  ? 9   SER B OG  1 
ATOM   233 N  N   . HIS B 2 10 ? -2.752  5.601  -13.286 1.00 44.40  ? 10  HIS B N   1 
ATOM   234 C  CA  . HIS B 2 10 ? -4.027  4.998  -13.650 1.00 40.48  ? 10  HIS B CA  1 
ATOM   235 C  C   . HIS B 2 10 ? -5.130  6.029  -13.851 1.00 43.13  ? 10  HIS B C   1 
ATOM   236 O  O   . HIS B 2 10 ? -6.126  5.733  -14.523 1.00 37.38  ? 10  HIS B O   1 
ATOM   237 C  CB  . HIS B 2 10 ? -4.462  3.986  -12.584 1.00 42.46  ? 10  HIS B CB  1 
ATOM   238 C  CG  . HIS B 2 10 ? -3.661  2.723  -12.590 1.00 36.23  ? 10  HIS B CG  1 
ATOM   239 N  ND1 . HIS B 2 10 ? -4.099  1.569  -13.203 1.00 40.87  ? 10  HIS B ND1 1 
ATOM   240 C  CD2 . HIS B 2 10 ? -2.444  2.436  -12.072 1.00 34.22  ? 10  HIS B CD2 1 
ATOM   241 C  CE1 . HIS B 2 10 ? -3.187  0.624  -13.058 1.00 30.83  ? 10  HIS B CE1 1 
ATOM   242 N  NE2 . HIS B 2 10 ? -2.174  1.124  -12.376 1.00 28.80  ? 10  HIS B NE2 1 
ATOM   243 N  N   . LEU B 2 11 ? -4.974  7.227  -13.285 1.00 49.15  ? 11  LEU B N   1 
ATOM   244 C  CA  . LEU B 2 11 ? -5.958  8.283  -13.498 1.00 47.50  ? 11  LEU B CA  1 
ATOM   245 C  C   . LEU B 2 11 ? -5.830  8.886  -14.892 1.00 49.92  ? 11  LEU B C   1 
ATOM   246 O  O   . LEU B 2 11 ? -6.837  9.239  -15.516 1.00 49.45  ? 11  LEU B O   1 
ATOM   247 C  CB  . LEU B 2 11 ? -5.807  9.362  -12.425 1.00 52.22  ? 11  LEU B CB  1 
ATOM   248 C  CG  . LEU B 2 11 ? -6.674  9.249  -11.166 1.00 51.28  ? 11  LEU B CG  1 
ATOM   249 C  CD1 . LEU B 2 11 ? -8.097  9.668  -11.469 1.00 55.90  ? 11  LEU B CD1 1 
ATOM   250 C  CD2 . LEU B 2 11 ? -6.654  7.842  -10.592 1.00 56.49  ? 11  LEU B CD2 1 
ATOM   251 N  N   . VAL B 2 12 ? -4.600  9.011  -15.395 1.00 60.81  ? 12  VAL B N   1 
ATOM   252 C  CA  . VAL B 2 12 ? -4.390  9.610  -16.710 1.00 65.49  ? 12  VAL B CA  1 
ATOM   253 C  C   . VAL B 2 12 ? -4.944  8.708  -17.808 1.00 62.57  ? 12  VAL B C   1 
ATOM   254 O  O   . VAL B 2 12 ? -5.488  9.190  -18.810 1.00 64.82  ? 12  VAL B O   1 
ATOM   255 C  CB  . VAL B 2 12 ? -2.896  9.930  -16.924 1.00 65.48  ? 12  VAL B CB  1 
ATOM   256 C  CG1 A VAL B 2 12 ? -2.421  10.946 -15.898 0.74 79.23  ? 12  VAL B CG1 1 
ATOM   257 C  CG1 B VAL B 2 12 ? -2.670  10.562 -18.288 0.26 66.55  ? 12  VAL B CG1 1 
ATOM   258 C  CG2 A VAL B 2 12 ? -2.050  8.671  -16.858 0.74 64.57  ? 12  VAL B CG2 1 
ATOM   259 C  CG2 B VAL B 2 12 ? -2.384  10.838 -15.819 0.26 73.49  ? 12  VAL B CG2 1 
ATOM   260 N  N   . GLU B 2 13 ? -4.820  7.390  -17.644 1.00 47.69  ? 13  GLU B N   1 
ATOM   261 C  CA  . GLU B 2 13 ? -5.379  6.477  -18.633 1.00 45.18  ? 13  GLU B CA  1 
ATOM   262 C  C   . GLU B 2 13 ? -6.896  6.391  -18.525 1.00 51.88  ? 13  GLU B C   1 
ATOM   263 O  O   . GLU B 2 13 ? -7.566  6.087  -19.519 1.00 49.72  ? 13  GLU B O   1 
ATOM   264 C  CB  . GLU B 2 13 ? -4.757  5.087  -18.488 1.00 38.27  ? 13  GLU B CB  1 
ATOM   265 C  CG  . GLU B 2 13 ? -5.246  4.296  -17.287 1.00 48.93  ? 13  GLU B CG  1 
ATOM   266 C  CD  . GLU B 2 13 ? -4.552  2.957  -17.150 0.00 44.39  ? 13  GLU B CD  1 
ATOM   267 O  OE1 . GLU B 2 13 ? -3.406  2.826  -17.625 1.00 40.96  ? 13  GLU B OE1 1 
ATOM   268 O  OE2 . GLU B 2 13 ? -5.157  2.031  -16.569 0.00 43.80  ? 13  GLU B OE2 1 
ATOM   269 N  N   . ALA B 2 14 ? -7.449  6.656  -17.339 1.00 53.22  ? 14  ALA B N   1 
ATOM   270 C  CA  . ALA B 2 14 ? -8.900  6.682  -17.189 1.00 50.55  ? 14  ALA B CA  1 
ATOM   271 C  C   . ALA B 2 14 ? -9.491  7.943  -17.807 1.00 50.18  ? 14  ALA B C   1 
ATOM   272 O  O   . ALA B 2 14 ? -10.538 7.887  -18.462 1.00 50.60  ? 14  ALA B O   1 
ATOM   273 C  CB  . ALA B 2 14 ? -9.280  6.574  -15.713 1.00 54.73  ? 14  ALA B CB  1 
ATOM   274 N  N   . LEU B 2 15 ? -8.835  9.089  -17.607 1.00 42.03  ? 15  LEU B N   1 
ATOM   275 C  CA  . LEU B 2 15 ? -9.299  10.325 -18.229 1.00 45.84  ? 15  LEU B CA  1 
ATOM   276 C  C   . LEU B 2 15 ? -9.191  10.255 -19.747 1.00 46.53  ? 15  LEU B C   1 
ATOM   277 O  O   . LEU B 2 15 ? -10.081 10.731 -20.461 1.00 49.31  ? 15  LEU B O   1 
ATOM   278 C  CB  . LEU B 2 15 ? -8.508  11.517 -17.690 1.00 49.10  ? 15  LEU B CB  1 
ATOM   279 C  CG  . LEU B 2 15 ? -8.661  11.823 -16.200 1.00 46.25  ? 15  LEU B CG  1 
ATOM   280 C  CD1 . LEU B 2 15 ? -7.873  13.068 -15.824 1.00 53.75  ? 15  LEU B CD1 1 
ATOM   281 C  CD2 . LEU B 2 15 ? -10.126 11.979 -15.832 1.00 53.67  ? 15  LEU B CD2 1 
ATOM   282 N  N   . TYR B 2 16 ? -8.109  9.662  -20.259 1.00 49.03  ? 16  TYR B N   1 
ATOM   283 C  CA  . TYR B 2 16 ? -7.940  9.557  -21.705 1.00 49.26  ? 16  TYR B CA  1 
ATOM   284 C  C   . TYR B 2 16 ? -9.065  8.746  -22.336 1.00 50.00  ? 16  TYR B C   1 
ATOM   285 O  O   . TYR B 2 16 ? -9.594  9.118  -23.390 1.00 53.94  ? 16  TYR B O   1 
ATOM   286 C  CB  . TYR B 2 16 ? -6.582  8.934  -22.030 1.00 53.64  ? 16  TYR B CB  1 
ATOM   287 C  CG  . TYR B 2 16 ? -6.380  8.636  -23.498 1.00 58.53  ? 16  TYR B CG  1 
ATOM   288 C  CD1 . TYR B 2 16 ? -6.018  9.639  -24.387 1.00 63.06  ? 16  TYR B CD1 1 
ATOM   289 C  CD2 . TYR B 2 16 ? -6.545  7.349  -23.995 1.00 56.58  ? 16  TYR B CD2 1 
ATOM   290 C  CE1 . TYR B 2 16 ? -5.830  9.370  -25.731 1.00 62.98  ? 16  TYR B CE1 1 
ATOM   291 C  CE2 . TYR B 2 16 ? -6.359  7.071  -25.336 1.00 56.50  ? 16  TYR B CE2 1 
ATOM   292 C  CZ  . TYR B 2 16 ? -6.001  8.085  -26.198 1.00 57.37  ? 16  TYR B CZ  1 
ATOM   293 O  OH  . TYR B 2 16 ? -5.815  7.815  -27.534 1.00 59.42  ? 16  TYR B OH  1 
ATOM   294 N  N   . LEU B 2 17 ? -9.446  7.633  -21.705 1.00 47.65  ? 17  LEU B N   1 
ATOM   295 C  CA  . LEU B 2 17 ? -10.521 6.811  -22.247 1.00 49.67  ? 17  LEU B CA  1 
ATOM   296 C  C   . LEU B 2 17 ? -11.879 7.489  -22.107 1.00 48.64  ? 17  LEU B C   1 
ATOM   297 O  O   . LEU B 2 17 ? -12.747 7.320  -22.972 1.00 48.46  ? 17  LEU B O   1 
ATOM   298 C  CB  . LEU B 2 17 ? -10.536 5.447  -21.558 1.00 48.08  ? 17  LEU B CB  1 
ATOM   299 C  CG  . LEU B 2 17 ? -11.433 4.381  -22.189 1.00 55.95  ? 17  LEU B CG  1 
ATOM   300 C  CD1 . LEU B 2 17 ? -10.952 4.045  -23.594 1.00 59.83  ? 17  LEU B CD1 1 
ATOM   301 C  CD2 . LEU B 2 17 ? -11.480 3.135  -21.321 1.00 52.79  ? 17  LEU B CD2 1 
ATOM   302 N  N   . VAL B 2 18 ? -12.080 8.256  -21.036 1.00 50.35  ? 18  VAL B N   1 
ATOM   303 C  CA  . VAL B 2 18 ? -13.375 8.886  -20.802 1.00 46.53  ? 18  VAL B CA  1 
ATOM   304 C  C   . VAL B 2 18 ? -13.519 10.155 -21.632 1.00 50.87  ? 18  VAL B C   1 
ATOM   305 O  O   . VAL B 2 18 ? -14.517 10.342 -22.338 1.00 52.38  ? 18  VAL B O   1 
ATOM   306 C  CB  . VAL B 2 18 ? -13.563 9.169  -19.301 1.00 52.36  ? 18  VAL B CB  1 
ATOM   307 C  CG1 . VAL B 2 18 ? -14.718 10.130 -19.083 1.00 54.80  ? 18  VAL B CG1 1 
ATOM   308 C  CG2 . VAL B 2 18 ? -13.800 7.871  -18.544 1.00 58.52  ? 18  VAL B CG2 1 
ATOM   309 N  N   . CYS B 2 19 ? -12.531 11.050 -21.556 1.00 43.13  ? 19  CYS B N   1 
ATOM   310 C  CA  . CYS B 2 19 ? -12.642 12.331 -22.248 1.00 51.84  ? 19  CYS B CA  1 
ATOM   311 C  C   . CYS B 2 19 ? -12.576 12.155 -23.762 1.00 53.73  ? 19  CYS B C   1 
ATOM   312 O  O   . CYS B 2 19 ? -13.350 12.777 -24.498 1.00 59.74  ? 19  CYS B O   1 
ATOM   313 C  CB  . CYS B 2 19 ? -11.548 13.284 -21.768 1.00 58.24  ? 19  CYS B CB  1 
ATOM   314 S  SG  . CYS B 2 19 ? -11.432 13.421 -19.965 1.00 48.15  ? 19  CYS B SG  1 
ATOM   315 N  N   . GLY B 2 20 ? -11.673 11.307 -24.240 1.00 59.15  ? 20  GLY B N   1 
ATOM   316 C  CA  . GLY B 2 20 ? -11.559 11.073 -25.672 1.00 64.03  ? 20  GLY B CA  1 
ATOM   317 C  C   . GLY B 2 20 ? -11.142 12.329 -26.413 1.00 63.18  ? 20  GLY B C   1 
ATOM   318 O  O   . GLY B 2 20 ? -10.089 12.920 -26.144 1.00 66.31  ? 20  GLY B O   1 
ATOM   319 N  N   . GLU B 2 21 ? -11.975 12.748 -27.368 1.00 67.23  ? 21  GLU B N   1 
ATOM   320 C  CA  . GLU B 2 21 ? -11.666 13.927 -28.167 0.07 68.35  ? 21  GLU B CA  1 
ATOM   321 C  C   . GLU B 2 21 ? -11.728 15.215 -27.357 1.00 67.45  ? 21  GLU B C   1 
ATOM   322 O  O   . GLU B 2 21 ? -11.084 16.200 -27.734 1.00 72.24  ? 21  GLU B O   1 
ATOM   323 C  CB  . GLU B 2 21 ? -12.617 14.021 -29.361 1.00 72.71  ? 21  GLU B CB  1 
ATOM   324 C  CG  . GLU B 2 21 ? -12.635 12.782 -30.242 1.00 76.56  ? 21  GLU B CG  1 
ATOM   325 C  CD  . GLU B 2 21 ? -13.543 12.936 -31.448 1.00 84.98  ? 21  GLU B CD  1 
ATOM   326 O  OE1 . GLU B 2 21 ? -13.830 14.088 -31.837 1.00 88.13  ? 21  GLU B OE1 1 
ATOM   327 O  OE2 . GLU B 2 21 ? -13.972 11.903 -32.006 1.00 96.97  ? 21  GLU B OE2 1 
ATOM   328 N  N   . ARG B 2 22 ? -12.493 15.234 -26.262 1.00 64.31  ? 22  ARG B N   1 
ATOM   329 C  CA  . ARG B 2 22 ? -12.592 16.441 -25.446 1.00 60.92  ? 22  ARG B CA  1 
ATOM   330 C  C   . ARG B 2 22 ? -11.248 16.809 -24.832 1.00 62.65  ? 22  ARG B C   1 
ATOM   331 O  O   . ARG B 2 22 ? -10.878 17.988 -24.791 1.00 61.60  ? 22  ARG B O   1 
ATOM   332 C  CB  . ARG B 2 22 ? -13.643 16.250 -24.353 1.00 61.58  ? 22  ARG B CB  1 
ATOM   333 C  CG  . ARG B 2 22 ? -15.075 16.390 -24.836 1.00 65.72  ? 22  ARG B CG  1 
ATOM   334 C  CD  A ARG B 2 22 ? -16.066 16.070 -23.728 0.67 62.33  ? 22  ARG B CD  1 
ATOM   335 C  CD  B ARG B 2 22 ? -16.068 16.166 -23.706 0.33 70.08  ? 22  ARG B CD  1 
ATOM   336 N  NE  A ARG B 2 22 ? -15.958 14.686 -23.284 0.67 62.97  ? 22  ARG B NE  1 
ATOM   337 N  NE  B ARG B 2 22 ? -15.866 17.095 -22.600 0.33 63.12  ? 22  ARG B NE  1 
ATOM   338 C  CZ  A ARG B 2 22 ? -16.746 14.125 -22.377 0.67 59.11  ? 22  ARG B CZ  1 
ATOM   339 C  CZ  B ARG B 2 22 ? -16.631 17.146 -21.518 0.33 61.97  ? 22  ARG B CZ  1 
ATOM   340 N  NH1 A ARG B 2 22 ? -17.719 14.805 -21.793 0.67 60.98  ? 22  ARG B NH1 1 
ATOM   341 N  NH1 B ARG B 2 22 ? -17.667 16.338 -21.365 0.33 61.57  ? 22  ARG B NH1 1 
ATOM   342 N  NH2 A ARG B 2 22 ? -16.555 12.851 -22.050 0.67 53.31  ? 22  ARG B NH2 1 
ATOM   343 N  NH2 B ARG B 2 22 ? -16.350 18.032 -20.566 0.33 58.16  ? 22  ARG B NH2 1 
ATOM   344 N  N   . GLY B 2 23 ? -10.505 15.817 -24.351 1.00 56.95  ? 23  GLY B N   1 
ATOM   345 C  CA  . GLY B 2 23 ? -9.255  16.059 -23.666 1.00 61.36  ? 23  GLY B CA  1 
ATOM   346 C  C   . GLY B 2 23 ? -9.438  16.242 -22.170 1.00 75.82  ? 23  GLY B C   1 
ATOM   347 O  O   . GLY B 2 23 ? -10.543 16.424 -21.653 1.00 73.58  ? 23  GLY B O   1 
ATOM   348 N  N   . PHE B 2 24 ? -8.312  16.194 -21.461 1.00 67.11  ? 24  PHE B N   1 
ATOM   349 C  CA  . PHE B 2 24 ? -8.313  16.258 -20.009 1.00 60.17  ? 24  PHE B CA  1 
ATOM   350 C  C   . PHE B 2 24 ? -7.145  17.108 -19.531 1.00 59.72  ? 24  PHE B C   1 
ATOM   351 O  O   . PHE B 2 24 ? -6.178  17.342 -20.259 1.00 63.78  ? 24  PHE B O   1 
ATOM   352 C  CB  . PHE B 2 24 ? -8.235  14.859 -19.380 1.00 50.95  ? 24  PHE B CB  1 
ATOM   353 C  CG  . PHE B 2 24 ? -6.972  14.112 -19.708 1.00 44.85  ? 24  PHE B CG  1 
ATOM   354 C  CD1 . PHE B 2 24 ? -6.889  13.330 -20.848 1.00 56.86  ? 24  PHE B CD1 1 
ATOM   355 C  CD2 . PHE B 2 24 ? -5.869  14.186 -18.872 1.00 43.27  ? 24  PHE B CD2 1 
ATOM   356 C  CE1 . PHE B 2 24 ? -5.729  12.641 -21.152 1.00 52.24  ? 24  PHE B CE1 1 
ATOM   357 C  CE2 . PHE B 2 24 ? -4.707  13.501 -19.171 1.00 43.44  ? 24  PHE B CE2 1 
ATOM   358 C  CZ  . PHE B 2 24 ? -4.637  12.728 -20.311 1.00 47.20  ? 24  PHE B CZ  1 
ATOM   359 N  N   . PHE B 2 25 ? -7.252  17.569 -18.288 1.00 51.03  ? 25  PHE B N   1 
ATOM   360 C  CA  . PHE B 2 25 ? -6.173  18.267 -17.605 1.00 55.99  ? 25  PHE B CA  1 
ATOM   361 C  C   . PHE B 2 25 ? -5.884  17.551 -16.294 1.00 54.06  ? 25  PHE B C   1 
ATOM   362 O  O   . PHE B 2 25 ? -6.806  17.266 -15.521 1.00 59.37  ? 25  PHE B O   1 
ATOM   363 C  CB  . PHE B 2 25 ? -6.527  19.740 -17.355 1.00 55.53  ? 25  PHE B CB  1 
ATOM   364 C  CG  . PHE B 2 25 ? -7.735  19.942 -16.478 1.00 64.99  ? 25  PHE B CG  1 
ATOM   365 C  CD1 . PHE B 2 25 ? -9.015  19.866 -17.006 1.00 69.67  ? 25  PHE B CD1 1 
ATOM   366 C  CD2 . PHE B 2 25 ? -7.589  20.227 -15.129 1.00 63.38  ? 25  PHE B CD2 1 
ATOM   367 C  CE1 . PHE B 2 25 ? -10.126 20.056 -16.202 1.00 62.08  ? 25  PHE B CE1 1 
ATOM   368 C  CE2 . PHE B 2 25 ? -8.695  20.418 -14.322 1.00 60.27  ? 25  PHE B CE2 1 
ATOM   369 C  CZ  . PHE B 2 25 ? -9.965  20.333 -14.859 1.00 65.46  ? 25  PHE B CZ  1 
ATOM   370 N  N   . TYR B 2 26 ? -4.613  17.240 -16.056 1.00 53.46  ? 26  TYR B N   1 
ATOM   371 C  CA  . TYR B 2 26 ? -4.176  16.599 -14.822 1.00 63.23  ? 26  TYR B CA  1 
ATOM   372 C  C   . TYR B 2 26 ? -3.396  17.617 -14.004 1.00 66.46  ? 26  TYR B C   1 
ATOM   373 O  O   . TYR B 2 26 ? -2.355  18.110 -14.452 1.00 67.76  ? 26  TYR B O   1 
ATOM   374 C  CB  . TYR B 2 26 ? -3.324  15.363 -15.114 1.00 42.84  ? 26  TYR B CB  1 
ATOM   375 C  CG  . TYR B 2 26 ? -2.883  14.612 -13.876 1.00 48.08  ? 26  TYR B CG  1 
ATOM   376 C  CD1 . TYR B 2 26 ? -3.796  13.892 -13.116 1.00 53.55  ? 26  TYR B CD1 1 
ATOM   377 C  CD2 . TYR B 2 26 ? -1.554  14.616 -13.472 1.00 49.43  ? 26  TYR B CD2 1 
ATOM   378 C  CE1 . TYR B 2 26 ? -3.399  13.203 -11.985 1.00 46.57  ? 26  TYR B CE1 1 
ATOM   379 C  CE2 . TYR B 2 26 ? -1.148  13.928 -12.343 1.00 60.23  ? 26  TYR B CE2 1 
ATOM   380 C  CZ  . TYR B 2 26 ? -2.075  13.224 -11.603 1.00 50.05  ? 26  TYR B CZ  1 
ATOM   381 O  OH  . TYR B 2 26 ? -1.677  12.539 -10.478 1.00 59.16  ? 26  TYR B OH  1 
ATOM   382 N  N   . THR B 2 27 ? -3.898  17.929 -12.811 1.00 54.30  ? 27  THR B N   1 
ATOM   383 C  CA  . THR B 2 27 ? -3.303  18.960 -11.962 1.00 56.92  ? 27  THR B CA  1 
ATOM   384 C  C   . THR B 2 27 ? -3.359  18.513 -10.510 1.00 64.96  ? 27  THR B C   1 
ATOM   385 O  O   . THR B 2 27 ? -4.297  18.848 -9.773  1.00 71.14  ? 27  THR B O   1 
ATOM   386 C  CB  . THR B 2 27 ? -4.009  20.303 -12.147 1.00 65.79  ? 27  THR B CB  1 
ATOM   387 O  OG1 . THR B 2 27 ? -4.072  20.621 -13.543 1.00 60.24  ? 27  THR B OG1 1 
ATOM   388 C  CG2 . THR B 2 27 ? -3.256  21.406 -11.423 1.00 67.47  ? 27  THR B CG2 1 
ATOM   389 N  N   . PRO B 2 28 ? -2.370  17.735 -10.060 1.00 69.01  ? 28  PRO B N   1 
ATOM   390 C  CA  . PRO B 2 28 ? -2.338  17.370 -8.636  1.00 73.12  ? 28  PRO B CA  1 
ATOM   391 C  C   . PRO B 2 28 ? -1.993  18.540 -7.733  1.00 72.43  ? 28  PRO B C   1 
ATOM   392 O  O   . PRO B 2 28 ? -2.516  18.628 -6.614  1.00 72.69  ? 28  PRO B O   1 
ATOM   393 C  CB  . PRO B 2 28 ? -1.271  16.268 -8.585  1.00 76.23  ? 28  PRO B CB  1 
ATOM   394 C  CG  . PRO B 2 28 ? -0.373  16.568 -9.740  1.00 67.31  ? 28  PRO B CG  1 
ATOM   395 C  CD  . PRO B 2 28 ? -1.257  17.136 -10.818 1.00 61.86  ? 28  PRO B CD  1 
ATOM   396 N  N   . LYS B 2 29 ? -1.133  19.446 -8.188  0.77 76.31  ? 29  LYS B N   1 
ATOM   397 C  CA  . LYS B 2 29 ? -0.750  20.612 -7.400  0.63 75.52  ? 29  LYS B CA  1 
ATOM   398 C  C   . LYS B 2 29 ? -0.993  21.903 -8.174  0.31 77.53  ? 29  LYS B C   1 
ATOM   399 O  O   . LYS B 2 29 ? -1.390  22.920 -7.606  0.04 77.48  ? 29  LYS B O   1 
ATOM   400 C  CB  . LYS B 2 29 ? 0.721   20.522 -6.984  0.74 77.98  ? 29  LYS B CB  1 
ATOM   401 C  CG  . LYS B 2 29 ? 0.937   20.299 -5.495  1.00 78.01  ? 29  LYS B CG  1 
ATOM   402 C  CD  . LYS B 2 29 ? 0.299   19.002 -5.029  0.62 75.78  ? 29  LYS B CD  1 
ATOM   403 C  CE  . LYS B 2 29 ? 0.898   17.800 -5.743  0.61 76.07  ? 29  LYS B CE  1 
ATOM   404 N  NZ  . LYS B 2 29 ? 0.207   16.534 -5.374  0.43 78.22  ? 29  LYS B NZ  1 
ATOM   405 O  OXT . LYS B 2 29 ? -0.797  21.959 -9.388  1.00 74.82  ? 29  LYS B OXT 1 
ATOM   406 N  N   . GLY C 1 1  ? -0.907  19.961 -33.442 1.00 73.93  ? 1   GLY C N   1 
ATOM   407 C  CA  . GLY C 1 1  ? -1.132  19.533 -32.074 1.00 85.37  ? 1   GLY C CA  1 
ATOM   408 C  C   . GLY C 1 1  ? -0.140  18.492 -31.595 1.00 95.98  ? 1   GLY C C   1 
ATOM   409 O  O   . GLY C 1 1  ? 0.872   18.237 -32.248 1.00 94.16  ? 1   GLY C O   1 
ATOM   410 N  N   . ILE C 1 2  ? -0.432  17.890 -30.441 1.00 120.28 ? 2   ILE C N   1 
ATOM   411 C  CA  . ILE C 1 2  ? 0.459   16.875 -29.886 1.00 118.37 ? 2   ILE C CA  1 
ATOM   412 C  C   . ILE C 1 2  ? 0.412   15.601 -30.722 1.00 117.19 ? 2   ILE C C   1 
ATOM   413 O  O   . ILE C 1 2  ? 1.446   14.967 -30.971 1.00 118.28 ? 2   ILE C O   1 
ATOM   414 C  CB  . ILE C 1 2  ? 0.106   16.610 -28.409 1.00 119.56 ? 2   ILE C CB  1 
ATOM   415 C  CG1 . ILE C 1 2  ? 0.949   15.461 -27.850 1.00 121.87 ? 2   ILE C CG1 1 
ATOM   416 C  CG2 . ILE C 1 2  ? -1.384  16.336 -28.242 1.00 118.99 ? 2   ILE C CG2 1 
ATOM   417 C  CD1 . ILE C 1 2  ? 0.640   15.122 -26.408 1.00 123.35 ? 2   ILE C CD1 1 
ATOM   418 N  N   . VAL C 1 3  ? -0.781  15.205 -31.172 1.00 94.81  ? 3   VAL C N   1 
ATOM   419 C  CA  . VAL C 1 3  ? -0.913  13.990 -31.970 1.00 88.72  ? 3   VAL C CA  1 
ATOM   420 C  C   . VAL C 1 3  ? -0.289  14.178 -33.347 1.00 85.05  ? 3   VAL C C   1 
ATOM   421 O  O   . VAL C 1 3  ? 0.370   13.273 -33.874 1.00 83.12  ? 3   VAL C O   1 
ATOM   422 C  CB  . VAL C 1 3  ? -2.394  13.579 -32.071 1.00 91.83  ? 3   VAL C CB  1 
ATOM   423 C  CG1 . VAL C 1 3  ? -2.545  12.328 -32.925 1.00 75.82  ? 3   VAL C CG1 1 
ATOM   424 C  CG2 . VAL C 1 3  ? -2.979  13.359 -30.685 1.00 87.56  ? 3   VAL C CG2 1 
ATOM   425 N  N   . GLU C 1 4  ? -0.481  15.354 -33.949 1.00 84.27  ? 4   GLU C N   1 
ATOM   426 C  CA  . GLU C 1 4  ? -0.018  15.590 -35.312 1.00 76.70  ? 4   GLU C CA  1 
ATOM   427 C  C   . GLU C 1 4  ? 1.501   15.535 -35.432 1.00 78.87  ? 4   GLU C C   1 
ATOM   428 O  O   . GLU C 1 4  ? 2.017   15.313 -36.533 1.00 80.57  ? 4   GLU C O   1 
ATOM   429 C  CB  . GLU C 1 4  ? -0.538  16.943 -35.805 1.00 74.92  ? 4   GLU C CB  1 
ATOM   430 C  CG  . GLU C 1 4  ? -0.368  17.184 -37.297 0.06 74.50  ? 4   GLU C CG  1 
ATOM   431 C  CD  . GLU C 1 4  ? -0.969  18.502 -37.745 0.09 73.66  ? 4   GLU C CD  1 
ATOM   432 O  OE1 . GLU C 1 4  ? -1.626  19.168 -36.919 0.55 73.40  ? 4   GLU C OE1 1 
ATOM   433 O  OE2 . GLU C 1 4  ? -0.784  18.871 -38.924 0.62 73.64  ? 4   GLU C OE2 1 
ATOM   434 N  N   . GLN C 1 5  ? 2.227   15.716 -34.332 1.00 96.42  ? 5   GLN C N   1 
ATOM   435 C  CA  . GLN C 1 5  ? 3.684   15.732 -34.355 1.00 96.69  ? 5   GLN C CA  1 
ATOM   436 C  C   . GLN C 1 5  ? 4.306   14.491 -33.735 1.00 96.03  ? 5   GLN C C   1 
ATOM   437 O  O   . GLN C 1 5  ? 5.195   13.880 -34.335 1.00 95.38  ? 5   GLN C O   1 
ATOM   438 C  CB  . GLN C 1 5  ? 4.205   16.985 -33.636 1.00 100.25 ? 5   GLN C CB  1 
ATOM   439 C  CG  . GLN C 1 5  ? 5.720   17.068 -33.563 1.00 99.35  ? 5   GLN C CG  1 
ATOM   440 C  CD  . GLN C 1 5  ? 6.203   18.321 -32.856 1.00 103.01 ? 5   GLN C CD  1 
ATOM   441 O  OE1 . GLN C 1 5  ? 5.425   19.237 -32.590 1.00 103.26 ? 5   GLN C OE1 1 
ATOM   442 N  NE2 . GLN C 1 5  ? 7.493   18.364 -32.546 1.00 106.23 ? 5   GLN C NE2 1 
ATOM   443 N  N   . CYS C 1 6  ? 3.862   14.097 -32.540 1.00 82.92  ? 6   CYS C N   1 
ATOM   444 C  CA  . CYS C 1 6  ? 4.513   13.009 -31.821 1.00 80.85  ? 6   CYS C CA  1 
ATOM   445 C  C   . CYS C 1 6  ? 4.042   11.628 -32.259 1.00 71.73  ? 6   CYS C C   1 
ATOM   446 O  O   . CYS C 1 6  ? 4.778   10.653 -32.070 1.00 56.97  ? 6   CYS C O   1 
ATOM   447 C  CB  . CYS C 1 6  ? 4.301   13.175 -30.314 1.00 70.70  ? 6   CYS C CB  1 
ATOM   448 S  SG  . CYS C 1 6  ? 5.069   14.668 -29.646 1.00 78.07  ? 6   CYS C SG  1 
ATOM   449 N  N   . CYS C 1 7  ? 2.847   11.512 -32.834 1.00 63.46  ? 7   CYS C N   1 
ATOM   450 C  CA  . CYS C 1 7  ? 2.376   10.225 -33.328 1.00 63.99  ? 7   CYS C CA  1 
ATOM   451 C  C   . CYS C 1 7  ? 2.832   9.930  -34.751 1.00 59.76  ? 7   CYS C C   1 
ATOM   452 O  O   . CYS C 1 7  ? 2.585   8.825  -35.248 1.00 56.99  ? 7   CYS C O   1 
ATOM   453 C  CB  . CYS C 1 7  ? 0.847   10.148 -33.245 1.00 59.54  ? 7   CYS C CB  1 
ATOM   454 S  SG  . CYS C 1 7  ? 0.228   9.993  -31.553 1.00 52.53  ? 7   CYS C SG  1 
ATOM   455 N  N   . THR C 1 8  ? 3.488   10.884 -35.415 1.00 70.21  ? 8   THR C N   1 
ATOM   456 C  CA  . THR C 1 8  ? 4.120   10.640 -36.703 1.00 69.34  ? 8   THR C CA  1 
ATOM   457 C  C   . THR C 1 8  ? 5.639   10.680 -36.643 1.00 72.16  ? 8   THR C C   1 
ATOM   458 O  O   . THR C 1 8  ? 6.289   10.063 -37.491 1.00 78.88  ? 8   THR C O   1 
ATOM   459 C  CB  . THR C 1 8  ? 3.641   11.662 -37.745 1.00 49.40  ? 8   THR C CB  1 
ATOM   460 O  OG1 . THR C 1 8  ? 4.031   12.980 -37.338 1.00 71.61  ? 8   THR C OG1 1 
ATOM   461 C  CG2 . THR C 1 8  ? 2.129   11.605 -37.888 1.00 48.98  ? 8   THR C CG2 1 
ATOM   462 N  N   . SER C 1 9  ? 6.213   11.383 -35.669 1.00 64.51  ? 9   SER C N   1 
ATOM   463 C  CA  . SER C 1 9  ? 7.652   11.415 -35.457 1.00 65.54  ? 9   SER C CA  1 
ATOM   464 C  C   . SER C 1 9  ? 7.929   11.249 -33.972 1.00 65.83  ? 9   SER C C   1 
ATOM   465 O  O   . SER C 1 9  ? 7.189   11.776 -33.136 1.00 64.30  ? 9   SER C O   1 
ATOM   466 C  CB  . SER C 1 9  ? 8.267   12.724 -35.967 1.00 63.56  ? 9   SER C CB  1 
ATOM   467 O  OG  . SER C 1 9  ? 8.017   12.900 -37.351 1.00 64.40  ? 9   SER C OG  1 
ATOM   468 N  N   . ILE C 1 10 ? 8.991   10.509 -33.645 1.00 72.82  ? 10  ILE C N   1 
ATOM   469 C  CA  . ILE C 1 10 ? 9.334   10.286 -32.246 1.00 71.70  ? 10  ILE C CA  1 
ATOM   470 C  C   . ILE C 1 10 ? 9.714   11.610 -31.603 1.00 72.36  ? 10  ILE C C   1 
ATOM   471 O  O   . ILE C 1 10 ? 10.583  12.338 -32.099 1.00 74.64  ? 10  ILE C O   1 
ATOM   472 C  CB  . ILE C 1 10 ? 10.465  9.255  -32.126 1.00 74.60  ? 10  ILE C CB  1 
ATOM   473 C  CG1 . ILE C 1 10 ? 9.965   7.864  -32.521 1.00 82.48  ? 10  ILE C CG1 1 
ATOM   474 C  CG2 . ILE C 1 10 ? 11.026  9.241  -30.712 1.00 70.03  ? 10  ILE C CG2 1 
ATOM   475 C  CD1 . ILE C 1 10 ? 10.992  6.768  -32.331 1.00 72.36  ? 10  ILE C CD1 1 
ATOM   476 N  N   . CYS C 1 11 ? 9.061   11.928 -30.489 1.00 68.84  ? 11  CYS C N   1 
ATOM   477 C  CA  . CYS C 1 11 ? 9.262   13.188 -29.788 1.00 82.70  ? 11  CYS C CA  1 
ATOM   478 C  C   . CYS C 1 11 ? 10.260  12.996 -28.654 1.00 83.15  ? 11  CYS C C   1 
ATOM   479 O  O   . CYS C 1 11 ? 10.128  12.063 -27.854 1.00 74.83  ? 11  CYS C O   1 
ATOM   480 C  CB  . CYS C 1 11 ? 7.937   13.727 -29.244 1.00 87.98  ? 11  CYS C CB  1 
ATOM   481 S  SG  . CYS C 1 11 ? 6.941   14.651 -30.440 1.00 71.59  ? 11  CYS C SG  1 
ATOM   482 N  N   . SER C 1 12 ? 11.255  13.877 -28.592 1.00 79.18  ? 12  SER C N   1 
ATOM   483 C  CA  . SER C 1 12 ? 12.243  13.848 -27.527 1.00 76.12  ? 12  SER C CA  1 
ATOM   484 C  C   . SER C 1 12 ? 11.657  14.430 -26.241 1.00 78.13  ? 12  SER C C   1 
ATOM   485 O  O   . SER C 1 12 ? 10.601  15.069 -26.238 1.00 80.26  ? 12  SER C O   1 
ATOM   486 C  CB  . SER C 1 12 ? 13.498  14.616 -27.938 1.00 78.05  ? 12  SER C CB  1 
ATOM   487 O  OG  . SER C 1 12 ? 13.187  15.957 -28.271 1.00 85.74  ? 12  SER C OG  1 
ATOM   488 N  N   . LEU C 1 13 ? 12.369  14.204 -25.133 1.00 87.19  ? 13  LEU C N   1 
ATOM   489 C  CA  . LEU C 1 13 ? 11.879  14.639 -23.828 1.00 90.63  ? 13  LEU C CA  1 
ATOM   490 C  C   . LEU C 1 13 ? 11.668  16.147 -23.773 1.00 84.13  ? 13  LEU C C   1 
ATOM   491 O  O   . LEU C 1 13 ? 10.741  16.616 -23.104 1.00 76.50  ? 13  LEU C O   1 
ATOM   492 C  CB  . LEU C 1 13 ? 12.850  14.200 -22.731 1.00 87.19  ? 13  LEU C CB  1 
ATOM   493 C  CG  . LEU C 1 13 ? 13.069  12.692 -22.579 1.00 84.10  ? 13  LEU C CG  1 
ATOM   494 C  CD1 . LEU C 1 13 ? 14.052  12.403 -21.454 1.00 73.56  ? 13  LEU C CD1 1 
ATOM   495 C  CD2 . LEU C 1 13 ? 11.749  11.977 -22.339 1.00 74.07  ? 13  LEU C CD2 1 
ATOM   496 N  N   . TYR C 1 14 ? 12.513  16.919 -24.458 1.00 114.15 ? 14  TYR C N   1 
ATOM   497 C  CA  . TYR C 1 14 ? 12.325  18.366 -24.494 1.00 114.03 ? 14  TYR C CA  1 
ATOM   498 C  C   . TYR C 1 14 ? 11.029  18.733 -25.203 1.00 111.27 ? 14  TYR C C   1 
ATOM   499 O  O   . TYR C 1 14 ? 10.321  19.655 -24.781 1.00 112.72 ? 14  TYR C O   1 
ATOM   500 C  CB  . TYR C 1 14 ? 13.519  19.034 -25.175 1.00 119.47 ? 14  TYR C CB  1 
ATOM   501 C  CG  . TYR C 1 14 ? 14.858  18.578 -24.644 1.00 128.76 ? 14  TYR C CG  1 
ATOM   502 C  CD1 . TYR C 1 14 ? 15.388  19.121 -23.480 1.00 140.24 ? 14  TYR C CD1 1 
ATOM   503 C  CD2 . TYR C 1 14 ? 15.593  17.604 -25.307 1.00 126.13 ? 14  TYR C CD2 1 
ATOM   504 C  CE1 . TYR C 1 14 ? 16.613  18.705 -22.992 1.00 143.58 ? 14  TYR C CE1 1 
ATOM   505 C  CE2 . TYR C 1 14 ? 16.817  17.183 -24.826 1.00 133.02 ? 14  TYR C CE2 1 
ATOM   506 C  CZ  . TYR C 1 14 ? 17.322  17.737 -23.669 1.00 142.86 ? 14  TYR C CZ  1 
ATOM   507 O  OH  . TYR C 1 14 ? 18.542  17.319 -23.188 1.00 150.70 ? 14  TYR C OH  1 
ATOM   508 N  N   . GLN C 1 15 ? 10.705  18.026 -26.289 1.00 93.50  ? 15  GLN C N   1 
ATOM   509 C  CA  . GLN C 1 15 ? 9.469   18.301 -27.015 1.00 91.86  ? 15  GLN C CA  1 
ATOM   510 C  C   . GLN C 1 15 ? 8.243   17.982 -26.166 1.00 75.14  ? 15  GLN C C   1 
ATOM   511 O  O   . GLN C 1 15 ? 7.241   18.704 -26.222 1.00 73.06  ? 15  GLN C O   1 
ATOM   512 C  CB  . GLN C 1 15 ? 9.450   17.515 -28.326 1.00 92.79  ? 15  GLN C CB  1 
ATOM   513 C  CG  . GLN C 1 15 ? 10.474  18.006 -29.342 1.00 86.12  ? 15  GLN C CG  1 
ATOM   514 C  CD  . GLN C 1 15 ? 10.566  17.117 -30.566 1.00 86.33  ? 15  GLN C CD  1 
ATOM   515 O  OE1 . GLN C 1 15 ? 10.809  15.916 -30.457 1.00 87.69  ? 15  GLN C OE1 1 
ATOM   516 N  NE2 . GLN C 1 15 ? 10.374  17.705 -31.740 1.00 91.04  ? 15  GLN C NE2 1 
ATOM   517 N  N   . LEU C 1 16 ? 8.299   16.903 -25.380 1.00 77.93  ? 16  LEU C N   1 
ATOM   518 C  CA  . LEU C 1 16 ? 7.202   16.604 -24.464 1.00 73.66  ? 16  LEU C CA  1 
ATOM   519 C  C   . LEU C 1 16 ? 7.057   17.677 -23.394 1.00 74.48  ? 16  LEU C C   1 
ATOM   520 O  O   . LEU C 1 16 ? 5.941   17.955 -22.941 1.00 73.20  ? 16  LEU C O   1 
ATOM   521 C  CB  . LEU C 1 16 ? 7.405   15.237 -23.807 1.00 69.36  ? 16  LEU C CB  1 
ATOM   522 C  CG  . LEU C 1 16 ? 6.915   13.992 -24.550 1.00 60.58  ? 16  LEU C CG  1 
ATOM   523 C  CD1 . LEU C 1 16 ? 7.859   13.615 -25.674 1.00 67.65  ? 16  LEU C CD1 1 
ATOM   524 C  CD2 . LEU C 1 16 ? 6.738   12.829 -23.587 1.00 60.79  ? 16  LEU C CD2 1 
ATOM   525 N  N   . GLU C 1 17 ? 8.170   18.284 -22.972 1.00 78.57  ? 17  GLU C N   1 
ATOM   526 C  CA  . GLU C 1 17 ? 8.106   19.304 -21.930 1.00 72.82  ? 17  GLU C CA  1 
ATOM   527 C  C   . GLU C 1 17 ? 7.340   20.537 -22.393 1.00 65.75  ? 17  GLU C C   1 
ATOM   528 O  O   . GLU C 1 17 ? 6.764   21.253 -21.566 1.00 64.74  ? 17  GLU C O   1 
ATOM   529 C  CB  . GLU C 1 17 ? 9.516   19.689 -21.486 1.00 68.48  ? 17  GLU C CB  1 
ATOM   530 C  CG  . GLU C 1 17 ? 9.556   20.543 -20.231 1.00 70.14  ? 17  GLU C CG  1 
ATOM   531 C  CD  . GLU C 1 17 ? 10.965  20.909 -19.819 1.00 68.09  ? 17  GLU C CD  1 
ATOM   532 O  OE1 . GLU C 1 17 ? 11.908  20.590 -20.572 1.00 91.16  ? 17  GLU C OE1 1 
ATOM   533 O  OE2 . GLU C 1 17 ? 11.130  21.516 -18.740 1.00 67.51  ? 17  GLU C OE2 1 
ATOM   534 N  N   . ASN C 1 18 ? 7.316   20.797 -23.703 1.00 68.86  ? 18  ASN C N   1 
ATOM   535 C  CA  . ASN C 1 18 ? 6.556   21.927 -24.224 1.00 70.93  ? 18  ASN C CA  1 
ATOM   536 C  C   . ASN C 1 18 ? 5.062   21.786 -23.966 1.00 71.35  ? 18  ASN C C   1 
ATOM   537 O  O   . ASN C 1 18 ? 4.348   22.795 -23.948 1.00 72.82  ? 18  ASN C O   1 
ATOM   538 C  CB  . ASN C 1 18 ? 6.814   22.085 -25.724 1.00 66.72  ? 18  ASN C CB  1 
ATOM   539 C  CG  . ASN C 1 18 ? 8.257   22.432 -26.035 1.00 85.87  ? 18  ASN C CG  1 
ATOM   540 O  OD1 . ASN C 1 18 ? 9.124   22.371 -25.163 1.00 81.31  ? 18  ASN C OD1 1 
ATOM   541 N  ND2 . ASN C 1 18 ? 8.522   22.796 -27.284 1.00 91.19  ? 18  ASN C ND2 1 
ATOM   542 N  N   . TYR C 1 19 ? 4.574   20.561 -23.771 1.00 81.85  ? 19  TYR C N   1 
ATOM   543 C  CA  . TYR C 1 19 ? 3.165   20.322 -23.490 1.00 81.86  ? 19  TYR C CA  1 
ATOM   544 C  C   . TYR C 1 19 ? 2.840   20.329 -22.002 1.00 61.81  ? 19  TYR C C   1 
ATOM   545 O  O   . TYR C 1 19 ? 1.659   20.263 -21.643 1.00 52.60  ? 19  TYR C O   1 
ATOM   546 C  CB  . TYR C 1 19 ? 2.725   18.986 -24.099 1.00 70.28  ? 19  TYR C CB  1 
ATOM   547 C  CG  . TYR C 1 19 ? 2.925   18.900 -25.595 1.00 68.81  ? 19  TYR C CG  1 
ATOM   548 C  CD1 . TYR C 1 19 ? 2.036   19.509 -26.468 1.00 89.21  ? 19  TYR C CD1 1 
ATOM   549 C  CD2 . TYR C 1 19 ? 3.999   18.206 -26.135 1.00 61.97  ? 19  TYR C CD2 1 
ATOM   550 C  CE1 . TYR C 1 19 ? 2.211   19.436 -27.835 1.00 87.42  ? 19  TYR C CE1 1 
ATOM   551 C  CE2 . TYR C 1 19 ? 4.183   18.125 -27.504 1.00 72.96  ? 19  TYR C CE2 1 
ATOM   552 C  CZ  . TYR C 1 19 ? 3.285   18.743 -28.348 1.00 80.91  ? 19  TYR C CZ  1 
ATOM   553 O  OH  . TYR C 1 19 ? 3.459   18.668 -29.710 1.00 94.93  ? 19  TYR C OH  1 
ATOM   554 N  N   . CYS C 1 20 ? 3.846   20.406 -21.133 1.00 63.97  ? 20  CYS C N   1 
ATOM   555 C  CA  . CYS C 1 20 ? 3.597   20.433 -19.700 1.00 71.25  ? 20  CYS C CA  1 
ATOM   556 C  C   . CYS C 1 20 ? 3.023   21.784 -19.277 1.00 69.86  ? 20  CYS C C   1 
ATOM   557 O  O   . CYS C 1 20 ? 3.199   22.805 -19.948 1.00 71.28  ? 20  CYS C O   1 
ATOM   558 C  CB  . CYS C 1 20 ? 4.882   20.150 -18.919 1.00 70.48  ? 20  CYS C CB  1 
ATOM   559 S  SG  . CYS C 1 20 ? 5.714   18.593 -19.322 1.00 56.12  ? 20  CYS C SG  1 
ATOM   560 N  N   . ASN C 1 21 ? 2.329   21.778 -18.144 1.00 65.02  ? 21  ASN C N   1 
ATOM   561 C  CA  . ASN C 1 21 ? 1.774   23.003 -17.580 1.00 70.45  ? 21  ASN C CA  1 
ATOM   562 C  C   . ASN C 1 21 ? 2.845   23.807 -16.851 1.00 81.19  ? 21  ASN C C   1 
ATOM   563 O  O   . ASN C 1 21 ? 2.568   24.873 -16.301 1.00 91.21  ? 21  ASN C O   1 
ATOM   564 C  CB  . ASN C 1 21 ? 0.618   22.687 -16.629 1.00 73.76  ? 21  ASN C CB  1 
ATOM   565 C  CG  . ASN C 1 21 ? -0.676  22.405 -17.361 1.00 75.24  ? 21  ASN C CG  1 
ATOM   566 O  OD1 . ASN C 1 21 ? -0.881  22.874 -18.480 1.00 79.31  ? 21  ASN C OD1 1 
ATOM   567 N  ND2 . ASN C 1 21 ? -1.560  21.640 -16.731 1.00 67.74  ? 21  ASN C ND2 1 
ATOM   568 O  OXT . ASN C 1 21 ? 4.008   23.409 -16.790 1.00 79.72  ? 21  ASN C OXT 1 
ATOM   569 N  N   . PHE D 2 1  ? -10.236 6.844  -36.078 1.00 111.50 ? 1   PHE D N   1 
ATOM   570 C  CA  . PHE D 2 1  ? -9.131  5.970  -36.456 1.00 101.33 ? 1   PHE D CA  1 
ATOM   571 C  C   . PHE D 2 1  ? -8.601  5.214  -35.239 1.00 98.88  ? 1   PHE D C   1 
ATOM   572 O  O   . PHE D 2 1  ? -8.632  5.724  -34.119 1.00 99.24  ? 1   PHE D O   1 
ATOM   573 C  CB  . PHE D 2 1  ? -8.015  6.779  -37.118 1.00 102.19 ? 1   PHE D CB  1 
ATOM   574 C  CG  . PHE D 2 1  ? -6.866  5.943  -37.594 1.00 101.45 ? 1   PHE D CG  1 
ATOM   575 C  CD1 . PHE D 2 1  ? -7.058  4.951  -38.541 1.00 104.56 ? 1   PHE D CD1 1 
ATOM   576 C  CD2 . PHE D 2 1  ? -5.592  6.155  -37.102 1.00 99.59  ? 1   PHE D CD2 1 
ATOM   577 C  CE1 . PHE D 2 1  ? -6.000  4.181  -38.980 1.00 105.00 ? 1   PHE D CE1 1 
ATOM   578 C  CE2 . PHE D 2 1  ? -4.532  5.391  -37.537 1.00 100.06 ? 1   PHE D CE2 1 
ATOM   579 C  CZ  . PHE D 2 1  ? -4.735  4.401  -38.477 1.00 101.46 ? 1   PHE D CZ  1 
ATOM   580 N  N   . VAL D 2 2  ? -8.108  4.000  -35.466 1.00 95.43  ? 2   VAL D N   1 
ATOM   581 C  CA  . VAL D 2 2  ? -7.768  3.092  -34.373 1.00 89.89  ? 2   VAL D CA  1 
ATOM   582 C  C   . VAL D 2 2  ? -6.329  3.279  -33.908 1.00 82.95  ? 2   VAL D C   1 
ATOM   583 O  O   . VAL D 2 2  ? -6.072  3.441  -32.712 1.00 80.15  ? 2   VAL D O   1 
ATOM   584 C  CB  . VAL D 2 2  ? -8.034  1.634  -34.803 1.00 79.59  ? 2   VAL D CB  1 
ATOM   585 C  CG1 . VAL D 2 2  ? -7.786  0.683  -33.643 1.00 71.45  ? 2   VAL D CG1 1 
ATOM   586 C  CG2 . VAL D 2 2  ? -9.453  1.489  -35.330 1.00 72.13  ? 2   VAL D CG2 1 
ATOM   587 N  N   . ASN D 2 3  ? -5.367  3.254  -34.834 1.00 92.43  ? 3   ASN D N   1 
ATOM   588 C  CA  . ASN D 2 3  ? -3.962  3.317  -34.436 1.00 92.40  ? 3   ASN D CA  1 
ATOM   589 C  C   . ASN D 2 3  ? -3.606  4.663  -33.817 1.00 88.85  ? 3   ASN D C   1 
ATOM   590 O  O   . ASN D 2 3  ? -2.708  4.734  -32.970 1.00 88.10  ? 3   ASN D O   1 
ATOM   591 C  CB  . ASN D 2 3  ? -3.060  3.020  -35.635 0.30 92.07  ? 3   ASN D CB  1 
ATOM   592 C  CG  . ASN D 2 3  ? -1.592  2.956  -35.259 0.33 89.62  ? 3   ASN D CG  1 
ATOM   593 O  OD1 . ASN D 2 3  ? -0.895  3.970  -35.255 0.48 89.24  ? 3   ASN D OD1 1 
ATOM   594 N  ND2 . ASN D 2 3  ? -1.115  1.757  -34.944 0.00 88.03  ? 3   ASN D ND2 1 
ATOM   595 N  N   . GLN D 2 4  ? -4.290  5.737  -34.224 1.00 83.73  ? 4   GLN D N   1 
ATOM   596 C  CA  . GLN D 2 4  ? -4.084  7.032  -33.582 1.00 87.51  ? 4   GLN D CA  1 
ATOM   597 C  C   . GLN D 2 4  ? -4.461  6.976  -32.107 1.00 84.54  ? 4   GLN D C   1 
ATOM   598 O  O   . GLN D 2 4  ? -3.790  7.581  -31.262 1.00 83.90  ? 4   GLN D O   1 
ATOM   599 C  CB  . GLN D 2 4  ? -4.893  8.110  -34.303 1.00 98.03  ? 4   GLN D CB  1 
ATOM   600 C  CG  . GLN D 2 4  ? -4.940  9.447  -33.581 1.00 92.11  ? 4   GLN D CG  1 
ATOM   601 C  CD  . GLN D 2 4  ? -5.927  10.411 -34.207 1.00 101.63 ? 4   GLN D CD  1 
ATOM   602 O  OE1 . GLN D 2 4  ? -5.739  10.867 -35.334 1.00 103.20 ? 4   GLN D OE1 1 
ATOM   603 N  NE2 . GLN D 2 4  ? -6.993  10.721 -33.477 1.00 111.49 ? 4   GLN D NE2 1 
ATOM   604 N  N   . HIS D 2 5  ? -5.537  6.255  -31.782 1.00 81.82  ? 5   HIS D N   1 
ATOM   605 C  CA  . HIS D 2 5  ? -5.936  6.095  -30.388 1.00 66.63  ? 5   HIS D CA  1 
ATOM   606 C  C   . HIS D 2 5  ? -4.855  5.385  -29.583 1.00 63.16  ? 5   HIS D C   1 
ATOM   607 O  O   . HIS D 2 5  ? -4.593  5.744  -28.429 1.00 63.33  ? 5   HIS D O   1 
ATOM   608 C  CB  . HIS D 2 5  ? -7.256  5.326  -30.312 1.00 66.71  ? 5   HIS D CB  1 
ATOM   609 C  CG  . HIS D 2 5  ? -7.729  5.071  -28.915 1.00 61.57  ? 5   HIS D CG  1 
ATOM   610 N  ND1 . HIS D 2 5  ? -7.246  4.037  -28.142 1.00 52.65  ? 5   HIS D ND1 1 
ATOM   611 C  CD2 . HIS D 2 5  ? -8.647  5.712  -28.154 1.00 57.35  ? 5   HIS D CD2 1 
ATOM   612 C  CE1 . HIS D 2 5  ? -7.842  4.055  -26.963 1.00 50.51  ? 5   HIS D CE1 1 
ATOM   613 N  NE2 . HIS D 2 5  ? -8.697  5.061  -26.945 1.00 64.92  ? 5   HIS D NE2 1 
ATOM   614 N  N   . LEU D 2 6  ? -4.223  4.368  -30.173 1.00 70.50  ? 6   LEU D N   1 
ATOM   615 C  CA  . LEU D 2 6  ? -3.187  3.626  -29.462 1.00 64.95  ? 6   LEU D CA  1 
ATOM   616 C  C   . LEU D 2 6  ? -1.988  4.512  -29.144 1.00 60.03  ? 6   LEU D C   1 
ATOM   617 O  O   . LEU D 2 6  ? -1.425  4.430  -28.046 1.00 60.50  ? 6   LEU D O   1 
ATOM   618 C  CB  . LEU D 2 6  ? -2.757  2.413  -30.285 1.00 62.21  ? 6   LEU D CB  1 
ATOM   619 C  CG  . LEU D 2 6  ? -3.883  1.456  -30.681 1.00 64.56  ? 6   LEU D CG  1 
ATOM   620 C  CD1 . LEU D 2 6  ? -3.341  0.300  -31.506 1.00 65.23  ? 6   LEU D CD1 1 
ATOM   621 C  CD2 . LEU D 2 6  ? -4.613  0.946  -29.447 1.00 53.87  ? 6   LEU D CD2 1 
ATOM   622 N  N   . CYS D 2 7  ? -1.581  5.360  -30.091 1.00 56.48  ? 7   CYS D N   1 
ATOM   623 C  CA  . CYS D 2 7  ? -0.450  6.249  -29.844 1.00 60.87  ? 7   CYS D CA  1 
ATOM   624 C  C   . CYS D 2 7  ? -0.754  7.227  -28.717 1.00 62.98  ? 7   CYS D C   1 
ATOM   625 O  O   . CYS D 2 7  ? 0.110   7.507  -27.878 1.00 58.67  ? 7   CYS D O   1 
ATOM   626 C  CB  . CYS D 2 7  ? -0.073  6.998  -31.123 1.00 69.74  ? 7   CYS D CB  1 
ATOM   627 S  SG  . CYS D 2 7  ? 1.141   8.314  -30.866 1.00 61.81  ? 7   CYS D SG  1 
ATOM   628 N  N   . GLY D 2 8  ? -1.979  7.756  -28.680 1.00 93.18  ? 8   GLY D N   1 
ATOM   629 C  CA  . GLY D 2 8  ? -2.359  8.653  -27.602 1.00 92.62  ? 8   GLY D CA  1 
ATOM   630 C  C   . GLY D 2 8  ? -2.345  7.989  -26.240 1.00 89.69  ? 8   GLY D C   1 
ATOM   631 O  O   . GLY D 2 8  ? -2.057  8.640  -25.232 1.00 89.28  ? 8   GLY D O   1 
ATOM   632 N  N   . SER D 2 9  ? -2.664  6.692  -26.187 1.00 55.20  ? 9   SER D N   1 
ATOM   633 C  CA  . SER D 2 9  ? -2.641  5.974  -24.915 1.00 49.39  ? 9   SER D CA  1 
ATOM   634 C  C   . SER D 2 9  ? -1.237  5.944  -24.325 1.00 44.18  ? 9   SER D C   1 
ATOM   635 O  O   . SER D 2 9  ? -1.058  6.148  -23.118 1.00 43.72  ? 9   SER D O   1 
ATOM   636 C  CB  . SER D 2 9  ? -3.171  4.553  -25.104 1.00 49.31  ? 9   SER D CB  1 
ATOM   637 O  OG  . SER D 2 9  ? -4.475  4.561  -25.656 1.00 43.39  ? 9   SER D OG  1 
ATOM   638 N  N   . HIS D 2 10 ? -0.229  5.683  -25.158 1.00 47.33  ? 10  HIS D N   1 
ATOM   639 C  CA  . HIS D 2 10 ? 1.152   5.759  -24.700 1.00 50.01  ? 10  HIS D CA  1 
ATOM   640 C  C   . HIS D 2 10 ? 1.627   7.200  -24.577 1.00 48.76  ? 10  HIS D C   1 
ATOM   641 O  O   . HIS D 2 10 ? 2.534   7.486  -23.787 1.00 46.00  ? 10  HIS D O   1 
ATOM   642 C  CB  . HIS D 2 10 ? 2.068   4.986  -25.651 1.00 47.19  ? 10  HIS D CB  1 
ATOM   643 C  CG  . HIS D 2 10 ? 1.696   3.546  -25.814 1.00 37.65  ? 10  HIS D CG  1 
ATOM   644 N  ND1 . HIS D 2 10 ? 2.149   2.559  -24.966 1.00 45.88  ? 10  HIS D ND1 1 
ATOM   645 C  CD2 . HIS D 2 10 ? 0.916   2.925  -26.730 1.00 41.26  ? 10  HIS D CD2 1 
ATOM   646 C  CE1 . HIS D 2 10 ? 1.664   1.392  -25.351 1.00 42.31  ? 10  HIS D CE1 1 
ATOM   647 N  NE2 . HIS D 2 10 ? 0.912   1.586  -26.420 1.00 40.25  ? 10  HIS D NE2 1 
ATOM   648 N  N   . LEU D 2 11 ? 1.035   8.113  -25.350 1.00 50.99  ? 11  LEU D N   1 
ATOM   649 C  CA  . LEU D 2 11 ? 1.458   9.509  -25.316 1.00 52.15  ? 11  LEU D CA  1 
ATOM   650 C  C   . LEU D 2 11 ? 1.139   10.149 -23.969 1.00 52.14  ? 11  LEU D C   1 
ATOM   651 O  O   . LEU D 2 11 ? 1.980   10.845 -23.388 1.00 55.66  ? 11  LEU D O   1 
ATOM   652 C  CB  . LEU D 2 11 ? 0.794   10.279 -26.457 1.00 58.74  ? 11  LEU D CB  1 
ATOM   653 C  CG  . LEU D 2 11 ? 1.583   11.423 -27.093 1.00 59.68  ? 11  LEU D CG  1 
ATOM   654 C  CD1 . LEU D 2 11 ? 2.997   10.976 -27.428 1.00 64.46  ? 11  LEU D CD1 1 
ATOM   655 C  CD2 . LEU D 2 11 ? 0.870   11.910 -28.343 1.00 70.68  ? 11  LEU D CD2 1 
ATOM   656 N  N   . VAL D 2 12 ? -0.073  9.922  -23.455 1.00 51.68  ? 12  VAL D N   1 
ATOM   657 C  CA  . VAL D 2 12 ? -0.442  10.482 -22.157 1.00 46.22  ? 12  VAL D CA  1 
ATOM   658 C  C   . VAL D 2 12 ? 0.381   9.848  -21.043 1.00 48.95  ? 12  VAL D C   1 
ATOM   659 O  O   . VAL D 2 12 ? 0.709   10.510 -20.051 1.00 50.23  ? 12  VAL D O   1 
ATOM   660 C  CB  . VAL D 2 12 ? -1.954  10.327 -21.906 1.00 43.31  ? 12  VAL D CB  1 
ATOM   661 C  CG1 . VAL D 2 12 ? -2.744  11.122 -22.932 1.00 43.14  ? 12  VAL D CG1 1 
ATOM   662 C  CG2 . VAL D 2 12 ? -2.365  8.863  -21.933 1.00 49.97  ? 12  VAL D CG2 1 
ATOM   663 N  N   . GLU D 2 13 ? 0.713   8.560  -21.173 1.00 44.37  ? 13  GLU D N   1 
ATOM   664 C  CA  . GLU D 2 13 ? 1.589   7.918  -20.200 1.00 40.30  ? 13  GLU D CA  1 
ATOM   665 C  C   . GLU D 2 13 ? 2.975   8.550  -20.209 1.00 41.57  ? 13  GLU D C   1 
ATOM   666 O  O   . GLU D 2 13 ? 3.572   8.773  -19.149 1.00 45.30  ? 13  GLU D O   1 
ATOM   667 C  CB  . GLU D 2 13 ? 1.680   6.419  -20.488 1.00 44.86  ? 13  GLU D CB  1 
ATOM   668 C  CG  . GLU D 2 13 ? 1.084   5.537  -19.404 1.00 51.48  ? 13  GLU D CG  1 
ATOM   669 C  CD  . GLU D 2 13 ? 1.939   5.490  -18.152 0.00 44.37  ? 13  GLU D CD  1 
ATOM   670 O  OE1 . GLU D 2 13 ? 3.112   5.916  -18.216 1.00 47.28  ? 13  GLU D OE1 1 
ATOM   671 O  OE2 . GLU D 2 13 ? 1.439   5.026  -17.106 1.00 45.36  ? 13  GLU D OE2 1 
ATOM   672 N  N   . ALA D 2 14 ? 3.505   8.838  -21.400 1.00 42.55  ? 14  ALA D N   1 
ATOM   673 C  CA  . ALA D 2 14 ? 4.811   9.482  -21.497 1.00 36.64  ? 14  ALA D CA  1 
ATOM   674 C  C   . ALA D 2 14 ? 4.773   10.902 -20.944 1.00 52.04  ? 14  ALA D C   1 
ATOM   675 O  O   . ALA D 2 14 ? 5.694   11.320 -20.232 1.00 63.42  ? 14  ALA D O   1 
ATOM   676 C  CB  . ALA D 2 14 ? 5.287   9.482  -22.949 1.00 57.90  ? 14  ALA D CB  1 
ATOM   677 N  N   . LEU D 2 15 ? 3.717   11.657 -21.261 1.00 47.98  ? 15  LEU D N   1 
ATOM   678 C  CA  . LEU D 2 15 ? 3.604   13.026 -20.764 1.00 47.66  ? 15  LEU D CA  1 
ATOM   679 C  C   . LEU D 2 15 ? 3.496   13.056 -19.245 1.00 49.62  ? 15  LEU D C   1 
ATOM   680 O  O   . LEU D 2 15 ? 4.069   13.937 -18.593 1.00 56.55  ? 15  LEU D O   1 
ATOM   681 C  CB  . LEU D 2 15 ? 2.399   13.721 -21.401 1.00 51.59  ? 15  LEU D CB  1 
ATOM   682 C  CG  . LEU D 2 15 ? 2.669   14.627 -22.605 1.00 54.76  ? 15  LEU D CG  1 
ATOM   683 C  CD1 . LEU D 2 15 ? 3.630   15.743 -22.225 1.00 56.29  ? 15  LEU D CD1 1 
ATOM   684 C  CD2 . LEU D 2 15 ? 3.203   13.835 -23.789 1.00 55.98  ? 15  LEU D CD2 1 
ATOM   685 N  N   . TYR D 2 16 ? 2.757   12.107 -18.666 1.00 53.57  ? 16  TYR D N   1 
ATOM   686 C  CA  . TYR D 2 16 ? 2.624   12.050 -17.213 1.00 50.96  ? 16  TYR D CA  1 
ATOM   687 C  C   . TYR D 2 16 ? 3.975   11.832 -16.544 1.00 52.46  ? 16  TYR D C   1 
ATOM   688 O  O   . TYR D 2 16 ? 4.278   12.454 -15.519 1.00 54.30  ? 16  TYR D O   1 
ATOM   689 C  CB  . TYR D 2 16 ? 1.641   10.945 -16.824 1.00 48.99  ? 16  TYR D CB  1 
ATOM   690 C  CG  . TYR D 2 16 ? 1.638   10.599 -15.351 1.00 49.04  ? 16  TYR D CG  1 
ATOM   691 C  CD1 . TYR D 2 16 ? 0.958   11.387 -14.433 1.00 47.63  ? 16  TYR D CD1 1 
ATOM   692 C  CD2 . TYR D 2 16 ? 2.306   9.474  -14.882 1.00 48.80  ? 16  TYR D CD2 1 
ATOM   693 C  CE1 . TYR D 2 16 ? 0.951   11.069 -13.087 1.00 49.51  ? 16  TYR D CE1 1 
ATOM   694 C  CE2 . TYR D 2 16 ? 2.305   9.149  -13.540 1.00 37.01  ? 16  TYR D CE2 1 
ATOM   695 C  CZ  . TYR D 2 16 ? 1.626   9.949  -12.647 1.00 44.79  ? 16  TYR D CZ  1 
ATOM   696 O  OH  . TYR D 2 16 ? 1.622   9.627  -11.309 1.00 47.57  ? 16  TYR D OH  1 
ATOM   697 N  N   . LEU D 2 17 ? 4.798   10.946 -17.107 1.00 49.09  ? 17  LEU D N   1 
ATOM   698 C  CA  . LEU D 2 17 ? 6.115   10.687 -16.536 1.00 52.17  ? 17  LEU D CA  1 
ATOM   699 C  C   . LEU D 2 17 ? 7.026   11.902 -16.673 1.00 56.46  ? 17  LEU D C   1 
ATOM   700 O  O   . LEU D 2 17 ? 7.697   12.297 -15.713 1.00 57.30  ? 17  LEU D O   1 
ATOM   701 C  CB  . LEU D 2 17 ? 6.743   9.465  -17.207 1.00 53.16  ? 17  LEU D CB  1 
ATOM   702 C  CG  A LEU D 2 17 ? 6.164   8.099  -16.839 0.00 49.52  ? 17  LEU D CG  1 
ATOM   703 C  CG  B LEU D 2 17 ? 7.922   8.809  -16.489 1.00 52.45  ? 17  LEU D CG  1 
ATOM   704 C  CD1 A LEU D 2 17 ? 6.863   6.997  -17.620 0.00 47.32  ? 17  LEU D CD1 1 
ATOM   705 C  CD1 B LEU D 2 17 ? 7.472   8.204  -15.168 1.00 44.56  ? 17  LEU D CD1 1 
ATOM   706 C  CD2 A LEU D 2 17 ? 6.284   7.856  -15.343 0.00 49.33  ? 17  LEU D CD2 1 
ATOM   707 C  CD2 B LEU D 2 17 ? 8.567   7.757  -17.376 1.00 54.44  ? 17  LEU D CD2 1 
ATOM   708 N  N   . VAL D 2 18 ? 7.057   12.509 -17.862 1.00 68.95  ? 18  VAL D N   1 
ATOM   709 C  CA  . VAL D 2 18 ? 8.010   13.584 -18.131 1.00 70.47  ? 18  VAL D CA  1 
ATOM   710 C  C   . VAL D 2 18 ? 7.681   14.822 -17.303 1.00 70.21  ? 18  VAL D C   1 
ATOM   711 O  O   . VAL D 2 18 ? 8.562   15.409 -16.664 1.00 72.55  ? 18  VAL D O   1 
ATOM   712 C  CB  . VAL D 2 18 ? 8.044   13.904 -19.636 1.00 66.25  ? 18  VAL D CB  1 
ATOM   713 C  CG1 . VAL D 2 18 ? 8.854   15.166 -19.894 1.00 70.12  ? 18  VAL D CG1 1 
ATOM   714 C  CG2 . VAL D 2 18 ? 8.627   12.731 -20.411 1.00 58.74  ? 18  VAL D CG2 1 
ATOM   715 N  N   . CYS D 2 19 ? 6.414   15.238 -17.299 1.00 77.12  ? 19  CYS D N   1 
ATOM   716 C  CA  . CYS D 2 19 ? 6.044   16.462 -16.593 1.00 85.43  ? 19  CYS D CA  1 
ATOM   717 C  C   . CYS D 2 19 ? 6.125   16.267 -15.082 1.00 90.29  ? 19  CYS D C   1 
ATOM   718 O  O   . CYS D 2 19 ? 6.888   16.953 -14.393 1.00 87.40  ? 19  CYS D O   1 
ATOM   719 C  CB  . CYS D 2 19 ? 4.640   16.911 -17.008 1.00 84.09  ? 19  CYS D CB  1 
ATOM   720 S  SG  . CYS D 2 19 ? 4.395   17.140 -18.791 1.00 76.27  ? 19  CYS D SG  1 
ATOM   721 N  N   . GLY D 2 20 ? 5.350   15.339 -14.554 1.00 130.71 ? 20  GLY D N   1 
ATOM   722 C  CA  . GLY D 2 20 ? 5.381   15.036 -13.125 1.00 132.88 ? 20  GLY D CA  1 
ATOM   723 C  C   . GLY D 2 20 ? 4.441   15.944 -12.339 1.00 136.17 ? 20  GLY D C   1 
ATOM   724 O  O   . GLY D 2 20 ? 3.242   15.970 -12.606 1.00 135.47 ? 20  GLY D O   1 
ATOM   725 N  N   . GLU D 2 21 ? 4.998   16.679 -11.373 1.00 112.37 ? 21  GLU D N   1 
ATOM   726 C  CA  . GLU D 2 21 ? 4.187   17.538 -10.517 1.00 93.52  ? 21  GLU D CA  1 
ATOM   727 C  C   . GLU D 2 21 ? 3.586   18.719 -11.269 1.00 85.68  ? 21  GLU D C   1 
ATOM   728 O  O   . GLU D 2 21 ? 2.589   19.285 -10.807 1.00 81.88  ? 21  GLU D O   1 
ATOM   729 C  CB  . GLU D 2 21 ? 5.025   18.049 -9.344  0.03 88.52  ? 21  GLU D CB  1 
ATOM   730 C  CG  . GLU D 2 21 ? 5.610   16.951 -8.471  0.00 84.99  ? 21  GLU D CG  1 
ATOM   731 C  CD  . GLU D 2 21 ? 6.505   17.493 -7.375  0.00 83.95  ? 21  GLU D CD  1 
ATOM   732 O  OE1 . GLU D 2 21 ? 6.743   18.719 -7.352  0.00 84.58  ? 21  GLU D OE1 1 
ATOM   733 O  OE2 . GLU D 2 21 ? 6.971   16.694 -6.536  0.47 85.34  ? 21  GLU D OE2 1 
ATOM   734 N  N   . ARG D 2 22 ? 4.170   19.109 -12.404 1.00 82.63  ? 22  ARG D N   1 
ATOM   735 C  CA  . ARG D 2 22 ? 3.653   20.255 -13.147 1.00 83.05  ? 22  ARG D CA  1 
ATOM   736 C  C   . ARG D 2 22 ? 2.276   19.971 -13.736 1.00 81.28  ? 22  ARG D C   1 
ATOM   737 O  O   . ARG D 2 22 ? 1.404   20.848 -13.734 1.00 76.04  ? 22  ARG D O   1 
ATOM   738 C  CB  . ARG D 2 22 ? 4.637   20.656 -14.247 1.00 78.04  ? 22  ARG D CB  1 
ATOM   739 C  CG  . ARG D 2 22 ? 5.636   21.723 -13.823 1.00 82.72  ? 22  ARG D CG  1 
ATOM   740 C  CD  . ARG D 2 22 ? 6.544   22.140 -14.970 1.00 78.88  ? 22  ARG D CD  1 
ATOM   741 N  NE  . ARG D 2 22 ? 7.603   21.169 -15.220 1.00 97.25  ? 22  ARG D NE  1 
ATOM   742 C  CZ  . ARG D 2 22 ? 8.591   21.343 -16.087 1.00 93.66  ? 22  ARG D CZ  1 
ATOM   743 N  NH1 . ARG D 2 22 ? 8.683   22.442 -16.817 1.00 89.45  ? 22  ARG D NH1 1 
ATOM   744 N  NH2 . ARG D 2 22 ? 9.511   20.392 -16.223 1.00 80.47  ? 22  ARG D NH2 1 
ATOM   745 N  N   . GLY D 2 23 ? 2.060   18.759 -14.239 1.00 80.40  ? 23  GLY D N   1 
ATOM   746 C  CA  . GLY D 2 23 ? 0.823   18.438 -14.919 1.00 73.19  ? 23  GLY D CA  1 
ATOM   747 C  C   . GLY D 2 23 ? 0.851   18.878 -16.371 1.00 72.36  ? 23  GLY D C   1 
ATOM   748 O  O   . GLY D 2 23 ? 1.816   19.465 -16.863 1.00 72.74  ? 23  GLY D O   1 
ATOM   749 N  N   . PHE D 2 24 ? -0.242  18.587 -17.072 1.00 71.49  ? 24  PHE D N   1 
ATOM   750 C  CA  . PHE D 2 24 ? -0.302  18.881 -18.497 1.00 71.47  ? 24  PHE D CA  1 
ATOM   751 C  C   . PHE D 2 24 ? -1.752  18.955 -18.950 1.00 70.56  ? 24  PHE D C   1 
ATOM   752 O  O   . PHE D 2 24 ? -2.663  18.469 -18.275 1.00 70.60  ? 24  PHE D O   1 
ATOM   753 C  CB  . PHE D 2 24 ? 0.460   17.831 -19.316 1.00 71.67  ? 24  PHE D CB  1 
ATOM   754 C  CG  . PHE D 2 24 ? -0.052  16.428 -19.135 1.00 69.00  ? 24  PHE D CG  1 
ATOM   755 C  CD1 . PHE D 2 24 ? 0.366   15.656 -18.063 1.00 69.31  ? 24  PHE D CD1 1 
ATOM   756 C  CD2 . PHE D 2 24 ? -0.946  15.879 -20.041 1.00 72.95  ? 24  PHE D CD2 1 
ATOM   757 C  CE1 . PHE D 2 24 ? -0.102  14.367 -17.894 1.00 68.86  ? 24  PHE D CE1 1 
ATOM   758 C  CE2 . PHE D 2 24 ? -1.417  14.589 -19.877 1.00 67.60  ? 24  PHE D CE2 1 
ATOM   759 C  CZ  . PHE D 2 24 ? -0.994  13.833 -18.802 1.00 68.00  ? 24  PHE D CZ  1 
ATOM   760 N  N   . PHE D 2 25 ? -1.944  19.578 -20.109 1.00 85.68  ? 25  PHE D N   1 
ATOM   761 C  CA  . PHE D 2 25 ? -3.218  19.600 -20.816 1.00 85.49  ? 25  PHE D CA  1 
ATOM   762 C  C   . PHE D 2 25 ? -3.080  18.739 -22.065 1.00 84.43  ? 25  PHE D C   1 
ATOM   763 O  O   . PHE D 2 25 ? -2.195  18.982 -22.893 1.00 84.52  ? 25  PHE D O   1 
ATOM   764 C  CB  . PHE D 2 25 ? -3.616  21.028 -21.195 1.00 86.99  ? 25  PHE D CB  1 
ATOM   765 C  CG  . PHE D 2 25 ? -4.420  21.741 -20.143 1.00 95.33  ? 25  PHE D CG  1 
ATOM   766 C  CD1 . PHE D 2 25 ? -3.820  22.208 -18.986 1.00 91.18  ? 25  PHE D CD1 1 
ATOM   767 C  CD2 . PHE D 2 25 ? -5.776  21.962 -20.323 1.00 92.28  ? 25  PHE D CD2 1 
ATOM   768 C  CE1 . PHE D 2 25 ? -4.558  22.871 -18.022 1.00 90.13  ? 25  PHE D CE1 1 
ATOM   769 C  CE2 . PHE D 2 25 ? -6.520  22.624 -19.365 1.00 90.06  ? 25  PHE D CE2 1 
ATOM   770 C  CZ  . PHE D 2 25 ? -5.910  23.079 -18.213 1.00 90.71  ? 25  PHE D CZ  1 
ATOM   771 N  N   . TYR D 2 26 ? -3.942  17.734 -22.195 1.00 80.30  ? 26  TYR D N   1 
ATOM   772 C  CA  . TYR D 2 26 ? -3.945  16.857 -23.359 1.00 74.58  ? 26  TYR D CA  1 
ATOM   773 C  C   . TYR D 2 26 ? -5.109  17.238 -24.264 1.00 68.07  ? 26  TYR D C   1 
ATOM   774 O  O   . TYR D 2 26 ? -6.271  17.167 -23.851 1.00 68.37  ? 26  TYR D O   1 
ATOM   775 C  CB  . TYR D 2 26 ? -4.046  15.388 -22.947 1.00 66.90  ? 26  TYR D CB  1 
ATOM   776 C  CG  . TYR D 2 26 ? -4.123  14.434 -24.120 1.00 66.20  ? 26  TYR D CG  1 
ATOM   777 C  CD1 . TYR D 2 26 ? -2.986  14.095 -24.841 1.00 65.90  ? 26  TYR D CD1 1 
ATOM   778 C  CD2 . TYR D 2 26 ? -5.335  13.876 -24.510 1.00 66.09  ? 26  TYR D CD2 1 
ATOM   779 C  CE1 . TYR D 2 26 ? -3.051  13.225 -25.916 1.00 68.80  ? 26  TYR D CE1 1 
ATOM   780 C  CE2 . TYR D 2 26 ? -5.410  13.006 -25.583 1.00 65.62  ? 26  TYR D CE2 1 
ATOM   781 C  CZ  . TYR D 2 26 ? -4.266  12.684 -26.283 1.00 65.30  ? 26  TYR D CZ  1 
ATOM   782 O  OH  . TYR D 2 26 ? -4.336  11.818 -27.351 1.00 65.05  ? 26  TYR D OH  1 
ATOM   783 N  N   . THR D 2 27 ? -4.793  17.640 -25.493 1.00 68.33  ? 27  THR D N   1 
ATOM   784 C  CA  . THR D 2 27 ? -5.800  18.010 -26.482 1.00 68.95  ? 27  THR D CA  1 
ATOM   785 C  C   . THR D 2 27 ? -5.542  17.210 -27.750 1.00 74.56  ? 27  THR D C   1 
ATOM   786 O  O   . THR D 2 27 ? -4.482  17.387 -28.387 1.00 71.96  ? 27  THR D O   1 
ATOM   787 C  CB  . THR D 2 27 ? -5.773  19.514 -26.772 1.00 70.44  ? 27  THR D CB  1 
ATOM   788 O  OG1 . THR D 2 27 ? -4.471  19.887 -27.237 1.00 74.55  ? 27  THR D OG1 1 
ATOM   789 C  CG2 . THR D 2 27 ? -6.108  20.309 -25.517 1.00 71.14  ? 27  THR D CG2 1 
ATOM   790 N  N   . PRO D 2 28 ? -6.455  16.337 -28.162 1.00 69.81  ? 28  PRO D N   1 
ATOM   791 C  CA  . PRO D 2 28 ? -6.264  15.582 -29.401 1.00 77.32  ? 28  PRO D CA  1 
ATOM   792 C  C   . PRO D 2 28 ? -6.726  16.385 -30.611 1.00 94.10  ? 28  PRO D C   1 
ATOM   793 O  O   . PRO D 2 28 ? -7.311  17.463 -30.497 1.00 91.97  ? 28  PRO D O   1 
ATOM   794 C  CB  . PRO D 2 28 ? -7.131  14.334 -29.194 1.00 76.63  ? 28  PRO D CB  1 
ATOM   795 C  CG  . PRO D 2 28 ? -8.123  14.706 -28.103 1.00 67.49  ? 28  PRO D CG  1 
ATOM   796 C  CD  . PRO D 2 28 ? -7.766  16.061 -27.552 1.00 79.65  ? 28  PRO D CD  1 
ATOM   797 N  N   . LYS D 2 29 ? -6.452  15.829 -31.787 1.00 122.70 ? 29  LYS D N   1 
ATOM   798 C  CA  . LYS D 2 29 ? -6.795  16.483 -33.045 1.00 126.66 ? 29  LYS D CA  1 
ATOM   799 C  C   . LYS D 2 29 ? -8.306  16.589 -33.222 1.00 125.73 ? 29  LYS D C   1 
ATOM   800 O  O   . LYS D 2 29 ? -8.797  17.439 -33.963 1.00 127.69 ? 29  LYS D O   1 
ATOM   801 C  CB  . LYS D 2 29 ? -6.172  15.728 -34.225 0.00 124.78 ? 29  LYS D CB  1 
ATOM   802 C  CG  . LYS D 2 29 ? -6.698  14.312 -34.416 0.57 124.15 ? 29  LYS D CG  1 
ATOM   803 C  CD  . LYS D 2 29 ? -7.742  14.248 -35.523 0.42 126.26 ? 29  LYS D CD  1 
ATOM   804 C  CE  . LYS D 2 29 ? -8.393  12.877 -35.592 0.10 127.54 ? 29  LYS D CE  1 
ATOM   805 N  NZ  . LYS D 2 29 ? -9.410  12.803 -36.677 0.01 130.33 ? 29  LYS D NZ  1 
ATOM   806 O  OXT . LYS D 2 29 ? -9.069  15.823 -32.632 1.00 124.56 ? 29  LYS D OXT 1 
HETATM 807 C  C1  . IPH E 3 .  ? 9.473   6.075  -9.514  0.65 65.16  ? 101 IPH B C1  1 
HETATM 808 C  C2  . IPH E 3 .  ? 9.817   6.733  -10.690 0.65 63.96  ? 101 IPH B C2  1 
HETATM 809 C  C3  . IPH E 3 .  ? 9.059   6.543  -11.840 0.65 50.11  ? 101 IPH B C3  1 
HETATM 810 C  C4  . IPH E 3 .  ? 7.958   5.696  -11.814 0.65 47.30  ? 101 IPH B C4  1 
HETATM 811 C  C5  . IPH E 3 .  ? 7.614   5.038  -10.638 0.65 57.93  ? 101 IPH B C5  1 
HETATM 812 C  C6  . IPH E 3 .  ? 8.372   5.228  -9.489  0.65 64.08  ? 101 IPH B C6  1 
HETATM 813 O  O1  . IPH E 3 .  ? 10.220  6.263  -8.382  0.65 67.11  ? 101 IPH B O1  1 
HETATM 814 ZN ZN  . ZN  F 4 .  ? -0.246  0.040  -11.743 0.25 25.30  ? 102 ZN  B ZN  1 
HETATM 815 CL CL  . CL  G 5 .  ? -0.398  0.072  -9.473  0.36 27.13  ? 103 CL  B CL  1 
HETATM 816 C  C1  . MYR H 6 .  ? 0.448   16.373 -3.974  0.40 78.26  ? 104 MYR B C1  1 
HETATM 817 O  O1  . MYR H 6 .  ? 1.365   16.148 -3.154  0.40 77.82  ? 104 MYR B O1  1 
HETATM 818 C  C2  . MYR H 6 .  ? -0.937  15.817 -3.744  0.40 79.68  ? 104 MYR B C2  1 
HETATM 819 C  C3  . MYR H 6 .  ? -1.510  16.407 -2.462  0.40 74.96  ? 104 MYR B C3  1 
HETATM 820 C  C4  . MYR H 6 .  ? -2.299  15.357 -1.689  0.40 73.43  ? 104 MYR B C4  1 
HETATM 821 C  C5  . MYR H 6 .  ? -1.433  14.132 -1.418  0.40 73.38  ? 104 MYR B C5  1 
HETATM 822 C  C6  . MYR H 6 .  ? -2.101  13.191 -0.424  0.40 74.27  ? 104 MYR B C6  1 
HETATM 823 C  C7  . MYR H 6 .  ? -1.242  11.954 -0.185  0.40 75.08  ? 104 MYR B C7  1 
HETATM 824 C  C8  . MYR H 6 .  ? -1.779  11.132 0.980   0.40 72.50  ? 104 MYR B C8  1 
HETATM 825 C  C9  . MYR H 6 .  ? -0.917  9.898  1.216   0.40 74.70  ? 104 MYR B C9  1 
HETATM 826 C  C10 . MYR H 6 .  ? -1.426  8.711  0.409   0.40 73.65  ? 104 MYR B C10 1 
HETATM 827 C  C11 . MYR H 6 .  ? -2.696  8.150  1.035   0.40 77.86  ? 104 MYR B C11 1 
HETATM 828 C  C12 . MYR H 6 .  ? -3.416  7.200  0.085   0.40 81.24  ? 104 MYR B C12 1 
HETATM 829 C  C13 . MYR H 6 .  ? -2.508  6.050  -0.334  0.40 81.09  ? 104 MYR B C13 1 
HETATM 830 C  C14 . MYR H 6 .  ? -3.148  5.221  -1.448  0.40 78.63  ? 104 MYR B C14 1 
HETATM 831 C  C1  . IPH I 3 .  ? -10.884 0.760  -29.490 0.48 59.43  ? 101 IPH D C1  1 
HETATM 832 C  C2  . IPH I 3 .  ? -9.607  0.227  -29.619 0.48 57.99  ? 101 IPH D C2  1 
HETATM 833 C  C3  . IPH I 3 .  ? -8.710  0.306  -28.560 0.48 54.16  ? 101 IPH D C3  1 
HETATM 834 C  C4  . IPH I 3 .  ? -9.091  0.919  -27.372 0.48 54.68  ? 101 IPH D C4  1 
HETATM 835 C  C5  . IPH I 3 .  ? -10.368 1.452  -27.243 0.48 58.02  ? 101 IPH D C5  1 
HETATM 836 C  C6  . IPH I 3 .  ? -11.265 1.373  -28.301 0.48 60.07  ? 101 IPH D C6  1 
HETATM 837 O  O1  . IPH I 3 .  ? -11.768 0.681  -30.533 0.48 64.42  ? 101 IPH D O1  1 
HETATM 838 ZN ZN  . ZN  J 4 .  ? 0.124   0.055  -27.944 0.13 40.68  ? 102 ZN  D ZN  1 
HETATM 839 CL CL  . CL  K 5 .  ? -0.030  0.086  -30.394 0.09 49.86  ? 103 CL  D CL  1 
HETATM 840 C  C1  . MYR L 6 .  ? -8.860  11.821 -37.559 0.37 105.52 ? 104 MYR D C1  1 
HETATM 841 O  O1  . MYR L 6 .  ? -9.811  11.941 -38.360 0.37 103.93 ? 104 MYR D O1  1 
HETATM 842 C  C2  . MYR L 6 .  ? -7.455  11.601 -38.064 0.37 100.14 ? 104 MYR D C2  1 
HETATM 843 C  C3  . MYR L 6 .  ? -7.046  12.758 -38.967 0.37 93.21  ? 104 MYR D C3  1 
HETATM 844 C  C4  . MYR L 6 .  ? -5.635  12.557 -39.512 0.37 87.59  ? 104 MYR D C4  1 
HETATM 845 C  C5  . MYR L 6 .  ? -5.649  11.914 -40.893 0.37 84.23  ? 104 MYR D C5  1 
HETATM 846 C  C6  . MYR L 6 .  ? -5.506  10.398 -40.827 0.37 82.92  ? 104 MYR D C6  1 
HETATM 847 C  C7  . MYR L 6 .  ? -5.032  9.853  -42.168 0.37 83.64  ? 104 MYR D C7  1 
HETATM 848 C  C8  . MYR L 6 .  ? -3.803  10.610 -42.661 0.37 83.10  ? 104 MYR D C8  1 
HETATM 849 C  C9  . MYR L 6 .  ? -3.124  9.869  -43.805 0.37 86.24  ? 104 MYR D C9  1 
HETATM 850 C  C10 . MYR L 6 .  ? -2.522  8.556  -43.325 0.37 83.18  ? 104 MYR D C10 1 
HETATM 851 C  C11 . MYR L 6 .  ? -3.151  7.341  -43.992 0.37 84.44  ? 104 MYR D C11 1 
HETATM 852 C  C12 . MYR L 6 .  ? -2.498  6.067  -43.471 0.37 83.19  ? 104 MYR D C12 1 
HETATM 853 C  C13 . MYR L 6 .  ? -3.518  4.968  -43.194 0.37 81.55  ? 104 MYR D C13 1 
HETATM 854 C  C14 . MYR L 6 .  ? -3.987  4.329  -44.499 0.37 83.07  ? 104 MYR D C14 1 
HETATM 855 O  O   . HOH M 7 .  ? -1.401  3.532  -18.314 1.00 13.89  ? 201 HOH B O   1 
HETATM 856 O  O   . HOH M 7 .  ? -6.522  18.351 -10.885 1.00 45.26  ? 202 HOH B O   1 
HETATM 857 O  O   . HOH M 7 .  ? -0.000  -0.000 -2.777  0.33 69.65  ? 203 HOH B O   1 
HETATM 858 O  O   . HOH N 7 .  ? 2.351   23.446 -22.226 1.00 61.74  ? 101 HOH C O   1 
HETATM 859 O  O   . HOH N 7 .  ? 0.522   26.110 -17.710 1.00 65.42  ? 102 HOH C O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1   N N   . GLY A 1  ? 0.3964 1.1214 1.0337 0.2414  0.0522  -0.1290 1  GLY A N   
2   C CA  . GLY A 1  ? 0.4753 1.2050 1.1205 0.2441  0.0573  -0.1292 1  GLY A CA  
3   C C   . GLY A 1  ? 0.4717 1.1943 1.1179 0.2490  0.0629  -0.1308 1  GLY A C   
4   O O   . GLY A 1  ? 0.4897 1.2058 1.1351 0.2525  0.0627  -0.1297 1  GLY A O   
5   N N   . ILE A 2  ? 0.4533 1.1771 1.1014 0.2494  0.0684  -0.1336 2  ILE A N   
6   C CA  . ILE A 2  ? 0.5519 1.2690 1.2010 0.2539  0.0741  -0.1353 2  ILE A CA  
7   C C   . ILE A 2  ? 0.5869 1.3056 1.2451 0.2601  0.0750  -0.1313 2  ILE A C   
8   O O   . ILE A 2  ? 0.4250 1.1363 1.0830 0.2645  0.0777  -0.1314 2  ILE A O   
9   C CB  . ILE A 2  ? 0.5285 1.2468 1.1771 0.2530  0.0796  -0.1393 2  ILE A CB  
10  C CG1 . ILE A 2  ? 0.4244 1.1350 1.0730 0.2573  0.0852  -0.1415 2  ILE A CG1 
11  C CG2 . ILE A 2  ? 0.5495 1.2787 1.2070 0.2530  0.0811  -0.1374 2  ILE A CG2 
12  C CD1 . ILE A 2  ? 0.4276 1.1379 1.0741 0.2568  0.0905  -0.1460 2  ILE A CD1 
13  N N   . VAL A 3  ? 0.7243 1.4525 1.3907 0.2609  0.0726  -0.1281 3  VAL A N   
14  C CA  . VAL A 3  ? 0.7548 1.4850 1.4298 0.2675  0.0722  -0.1247 3  VAL A CA  
15  C C   . VAL A 3  ? 0.7710 1.4959 1.4427 0.2705  0.0678  -0.1224 3  VAL A C   
16  O O   . VAL A 3  ? 0.8106 1.5311 1.4848 0.2770  0.0693  -0.1212 3  VAL A O   
17  C CB  . VAL A 3  ? 0.7596 1.5019 1.4446 0.2674  0.0701  -0.1227 3  VAL A CB  
18  C CG1 . VAL A 3  ? 0.7355 1.4832 1.4181 0.2616  0.0642  -0.1218 3  VAL A CG1 
19  C CG2 . VAL A 3  ? 0.7350 1.4797 1.4286 0.2747  0.0681  -0.1197 3  VAL A CG2 
20  N N   . GLU A 4  ? 0.6234 1.3480 1.2890 0.2661  0.0627  -0.1219 4  GLU A N   
21  C CA  . GLU A 4  ? 0.5927 1.3126 1.2550 0.2688  0.0585  -0.1198 4  GLU A CA  
22  C C   . GLU A 4  ? 0.4952 1.2036 1.1498 0.2691  0.0617  -0.1223 4  GLU A C   
23  O O   . GLU A 4  ? 0.4753 1.1787 1.1271 0.2719  0.0597  -0.1210 4  GLU A O   
24  C CB  . GLU A 4  ? 0.5660 1.2908 1.2253 0.2639  0.0515  -0.1182 4  GLU A CB  
25  C CG  . GLU A 4  ? 0.4863 1.2226 1.1540 0.2633  0.0479  -0.1160 4  GLU A CG  
26  C CD  . GLU A 4  ? 0.4521 1.1940 1.1174 0.2554  0.0466  -0.1174 4  GLU A CD  
27  O OE1 . GLU A 4  ? 0.4022 1.1393 1.0581 0.2506  0.0456  -0.1190 4  GLU A OE1 
28  O OE2 . GLU A 4  ? 0.4075 1.1586 1.0804 0.2541  0.0469  -0.1171 4  GLU A OE2 
29  N N   . GLN A 5  ? 0.4981 1.2021 1.1494 0.2665  0.0669  -0.1262 5  GLN A N   
30  C CA  . GLN A 5  ? 0.5422 1.2355 1.1872 0.2664  0.0701  -0.1295 5  GLN A CA  
31  C C   . GLN A 5  ? 0.5557 1.2432 1.2034 0.2710  0.0772  -0.1314 5  GLN A C   
32  O O   . GLN A 5  ? 0.5295 1.2092 1.1765 0.2753  0.0799  -0.1316 5  GLN A O   
33  C CB  . GLN A 5  ? 0.4153 1.1069 1.0526 0.2591  0.0690  -0.1337 5  GLN A CB  
34  C CG  . GLN A 5  ? 0.4348 1.1298 1.0678 0.2543  0.0623  -0.1323 5  GLN A CG  
35  C CD  . GLN A 5  ? 0.4479 1.1409 1.0729 0.2479  0.0611  -0.1370 5  GLN A CD  
36  O OE1 . GLN A 5  ? 0.4744 1.1635 1.0970 0.2472  0.0650  -0.1416 5  GLN A OE1 
37  N NE2 . GLN A 5  ? 0.3975 1.0932 1.0182 0.2435  0.0554  -0.1362 5  GLN A NE2 
38  N N   . CYS A 6  ? 0.7048 1.3956 1.3553 0.2705  0.0805  -0.1328 6  CYS A N   
39  C CA  . CYS A 6  ? 0.6651 1.3501 1.3172 0.2743  0.0872  -0.1350 6  CYS A CA  
40  C C   . CYS A 6  ? 0.5598 1.2477 1.2204 0.2813  0.0894  -0.1316 6  CYS A C   
41  O O   . CYS A 6  ? 0.5267 1.2097 1.1891 0.2851  0.0951  -0.1330 6  CYS A O   
42  C CB  . CYS A 6  ? 0.5220 1.2080 1.1718 0.2706  0.0901  -0.1391 6  CYS A CB  
43  S SG  . CYS A 6  ? 0.4313 1.1095 1.0704 0.2649  0.0892  -0.1452 6  CYS A SG  
44  N N   . CYS A 7  ? 1.1480 0.9367 1.2929 -0.1677 0.5166  -0.4655 7  CYS A N   
45  C CA  . CYS A 7  ? 1.1499 0.9607 1.2931 -0.1613 0.5049  -0.4802 7  CYS A CA  
46  C C   . CYS A 7  ? 1.1713 0.9855 1.2876 -0.1524 0.4974  -0.4908 7  CYS A C   
47  O O   . CYS A 7  ? 1.1737 1.0045 1.2849 -0.1436 0.4884  -0.4996 7  CYS A O   
48  C CB  . CYS A 7  ? 1.1505 0.9811 1.3212 -0.1726 0.5054  -0.5001 7  CYS A CB  
49  S SG  . CYS A 7  ? 1.1260 0.9628 1.3248 -0.1770 0.5107  -0.4907 7  CYS A SG  
50  N N   . THR A 8  ? 1.1600 0.9596 1.2592 -0.1539 0.5019  -0.4904 8  THR A N   
51  C CA  . THR A 8  ? 1.2309 1.0305 1.2985 -0.1437 0.4970  -0.4969 8  THR A CA  
52  C C   . THR A 8  ? 1.2181 0.9970 1.2654 -0.1313 0.5001  -0.4735 8  THR A C   
53  O O   . THR A 8  ? 1.1459 0.9262 1.1680 -0.1190 0.4969  -0.4749 8  THR A O   
54  C CB  . THR A 8  ? 1.1630 0.9611 1.2224 -0.1526 0.5002  -0.5135 8  THR A CB  
55  O OG1 . THR A 8  ? 1.1555 0.9298 1.2215 -0.1597 0.5122  -0.4985 8  THR A OG1 
56  C CG2 . THR A 8  ? 1.1649 0.9852 1.2485 -0.1651 0.4969  -0.5389 8  THR A CG2 
57  N N   . SER A 9  ? 1.3183 1.0790 1.3771 -0.1343 0.5073  -0.4529 9  SER A N   
58  C CA  . SER A 9  ? 1.3179 1.0607 1.3655 -0.1236 0.5097  -0.4305 9  SER A CA  
59  C C   . SER A 9  ? 1.2599 1.0013 1.3293 -0.1252 0.5103  -0.4156 9  SER A C   
60  O O   . SER A 9  ? 1.2501 0.9939 1.3394 -0.1367 0.5144  -0.4169 9  SER A O   
61  C CB  . SER A 9  ? 1.3176 1.0372 1.3536 -0.1258 0.5189  -0.4212 9  SER A CB  
62  O OG  . SER A 9  ? 1.3638 1.0755 1.4204 -0.1396 0.5272  -0.4184 9  SER A OG  
63  N N   . ILE A 10 ? 1.1743 0.9126 1.2403 -0.1136 0.5072  -0.4023 10 ILE A N   
64  C CA  . ILE A 10 ? 1.1480 0.8880 1.2326 -0.1144 0.5065  -0.3908 10 ILE A CA  
65  C C   . ILE A 10 ? 1.1183 0.8406 1.2096 -0.1219 0.5151  -0.3769 10 ILE A C   
66  O O   . ILE A 10 ? 1.0762 0.7801 1.1571 -0.1196 0.5204  -0.3671 10 ILE A O   
67  C CB  . ILE A 10 ? 1.0991 0.8393 1.1811 -0.1004 0.5020  -0.3813 10 ILE A CB  
68  C CG1 . ILE A 10 ? 1.1383 0.8955 1.2150 -0.0918 0.4960  -0.3948 10 ILE A CG1 
69  C CG2 . ILE A 10 ? 1.0098 0.7549 1.1111 -0.1019 0.5003  -0.3730 10 ILE A CG2 
70  C CD1 . ILE A 10 ? 1.2021 0.9597 1.2812 -0.0774 0.4941  -0.3857 10 ILE A CD1 
71  N N   . CYS A 11 ? 1.1303 0.8583 1.2396 -0.1305 0.5179  -0.3759 11 CYS A N   
72  C CA  . CYS A 11 ? 1.0895 0.8030 1.2073 -0.1377 0.5279  -0.3639 11 CYS A CA  
73  C C   . CYS A 11 ? 0.9979 0.7105 1.1215 -0.1327 0.5263  -0.3504 11 CYS A C   
74  O O   . CYS A 11 ? 0.9875 0.7159 1.1179 -0.1304 0.5202  -0.3543 11 CYS A O   
75  C CB  . CYS A 11 ? 1.0161 0.7355 1.1503 -0.1507 0.5354  -0.3721 11 CYS A CB  
76  S SG  . CYS A 11 ? 1.0366 0.7470 1.1714 -0.1607 0.5443  -0.3827 11 CYS A SG  
77  N N   . SER A 12 ? 0.9965 0.6913 1.1185 -0.1312 0.5322  -0.3361 12 SER A N   
78  C CA  . SER A 12 ? 1.2464 0.9408 1.3754 -0.1277 0.5317  -0.3252 12 SER A CA  
79  C C   . SER A 12 ? 1.2083 0.9085 1.3494 -0.1361 0.5385  -0.3252 12 SER A C   
80  O O   . SER A 12 ? 1.1091 0.8101 1.2558 -0.1450 0.5455  -0.3314 12 SER A O   
81  C CB  . SER A 12 ? 1.0127 0.6868 1.1389 -0.1237 0.5367  -0.3108 12 SER A CB  
82  O OG  . SER A 12 ? 0.9721 0.6479 1.1063 -0.1201 0.5356  -0.3027 12 SER A OG  
83  N N   . LEU A 13 ? 0.9588 0.7030 1.3658 -0.1489 0.0473  -0.2220 13 LEU A N   
84  C CA  . LEU A 13 ? 1.0145 0.7583 1.3905 -0.1152 0.0058  -0.2450 13 LEU A CA  
85  C C   . LEU A 13 ? 0.9497 0.7496 1.3366 -0.0964 -0.0047 -0.2577 13 LEU A C   
86  O O   . LEU A 13 ? 0.9311 0.7266 1.2629 -0.0650 -0.0235 -0.2552 13 LEU A O   
87  C CB  . LEU A 13 ? 1.0187 0.7502 1.4366 -0.1198 -0.0286 -0.2804 13 LEU A CB  
88  C CG  . LEU A 13 ? 0.9948 0.6606 1.3843 -0.1240 -0.0359 -0.2758 13 LEU A CG  
89  C CD1 . LEU A 13 ? 0.9809 0.6078 1.2743 -0.0949 -0.0332 -0.2506 13 LEU A CD1 
90  C CD2 . LEU A 13 ? 1.0158 0.6608 1.4482 -0.1656 -0.0051 -0.2585 13 LEU A CD2 
91  N N   . TYR A 14 ? 0.9104 0.7639 1.3692 -0.1149 0.0070  -0.2709 14 TYR A N   
92  C CA  . TYR A 14 ? 0.9297 0.8363 1.4001 -0.0953 -0.0049 -0.2854 14 TYR A CA  
93  C C   . TYR A 14 ? 1.0439 0.9491 1.4545 -0.0786 0.0147  -0.2543 14 TYR A C   
94  O O   . TYR A 14 ? 0.9917 0.9164 1.3796 -0.0519 -0.0057 -0.2609 14 TYR A O   
95  C CB  . TYR A 14 ? 1.0173 0.9866 1.5821 -0.1179 0.0053  -0.3077 14 TYR A CB  
96  C CG  . TYR A 14 ? 0.8916 0.9165 1.4682 -0.0958 -0.0068 -0.3238 14 TYR A CG  
97  C CD1 . TYR A 14 ? 0.8819 0.9199 1.4602 -0.0698 -0.0520 -0.3562 14 TYR A CD1 
98  C CD2 . TYR A 14 ? 0.8145 0.8754 1.3954 -0.0977 0.0250  -0.3071 14 TYR A CD2 
99  C CE1 . TYR A 14 ? 0.8167 0.9001 1.4032 -0.0482 -0.0665 -0.3714 14 TYR A CE1 
100 C CE2 . TYR A 14 ? 0.8034 0.9125 1.3936 -0.0746 0.0102  -0.3240 14 TYR A CE2 
101 C CZ  . TYR A 14 ? 0.8176 0.9365 1.4116 -0.0508 -0.0361 -0.3560 14 TYR A CZ  
102 O OH  . TYR A 14 ? 0.8292 0.9912 1.4306 -0.0267 -0.0539 -0.3735 14 TYR A OH  
103 N N   . GLN A 15 ? 1.2132 1.0929 1.5978 -0.0928 0.0514  -0.2211 15 GLN A N   
104 C CA  . GLN A 15 ? 1.2175 1.0910 1.5442 -0.0746 0.0660  -0.1934 15 GLN A CA  
105 C C   . GLN A 15 ? 1.2052 1.0422 1.4620 -0.0457 0.0403  -0.1843 15 GLN A C   
106 O O   . GLN A 15 ? 1.2106 1.0539 1.4318 -0.0246 0.0357  -0.1724 15 GLN A O   
107 C CB  . GLN A 15 ? 1.2275 1.0744 1.5350 -0.0931 0.1078  -0.1607 15 GLN A CB  
108 C CG  . GLN A 15 ? 1.2222 1.1108 1.5919 -0.1198 0.1412  -0.1614 15 GLN A CG  
109 C CD  . GLN A 15 ? 1.2839 1.1786 1.6204 -0.1142 0.1755  -0.1336 15 GLN A CD  
110 O OE1 . GLN A 15 ? 1.2882 1.1637 1.6204 -0.1342 0.2112  -0.1099 15 GLN A OE1 
111 N NE2 . GLN A 15 ? 1.3223 1.2406 1.6329 -0.0853 0.1627  -0.1365 15 GLN A NE2 
112 N N   . LEU A 16 ? 0.9865 0.7862 1.2245 -0.0438 0.0231  -0.1896 16 LEU A N   
113 C CA  . LEU A 16 ? 0.9675 0.7409 1.1443 -0.0155 -0.0005 -0.1825 16 LEU A CA  
114 C C   . LEU A 16 ? 0.8991 0.7011 1.0838 0.0061  -0.0363 -0.2073 16 LEU A C   
115 O O   . LEU A 16 ? 0.9671 0.7570 1.1019 0.0307  -0.0528 -0.1964 16 LEU A O   
116 C CB  . LEU A 16 ? 0.9434 0.6689 1.0924 -0.0164 -0.0059 -0.1805 16 LEU A CB  
117 C CG  . LEU A 16 ? 0.8393 0.5215 0.9544 -0.0273 0.0225  -0.1510 16 LEU A CG  
118 C CD1 . LEU A 16 ? 0.9127 0.5989 0.9958 -0.0199 0.0426  -0.1222 16 LEU A CD1 
119 C CD2 . LEU A 16 ? 0.9203 0.5920 1.0809 -0.0601 0.0427  -0.1544 16 LEU A CD2 
120 N N   . GLU A 17 ? 0.8725 0.7121 1.1197 -0.0024 -0.0489 -0.2395 17 GLU A N   
121 C CA  . GLU A 17 ? 0.8632 0.7277 1.1171 0.0202  -0.0858 -0.2658 17 GLU A CA  
122 C C   . GLU A 17 ? 0.8257 0.7129 1.0609 0.0381  -0.0904 -0.2556 17 GLU A C   
123 O O   . GLU A 17 ? 0.8152 0.7058 1.0287 0.0626  -0.1217 -0.2653 17 GLU A O   
124 C CB  . GLU A 17 ? 0.8965 0.7994 1.2297 0.0065  -0.0987 -0.3052 17 GLU A CB  
125 C CG  . GLU A 17 ? 0.9245 0.8044 1.2854 -0.0099 -0.1043 -0.3219 17 GLU A CG  
126 C CD  . GLU A 17 ? 0.8444 0.7239 1.2097 0.0114  -0.1496 -0.3581 17 GLU A CD  
127 O OE1 . GLU A 17 ? 0.7558 0.6437 1.0866 0.0408  -0.1744 -0.3635 17 GLU A OE1 
128 O OE2 . GLU A 17 ? 0.9247 0.7925 1.3268 -0.0003 -0.1623 -0.3813 17 GLU A OE2 
129 N N   . ASN A 18 ? 1.0040 0.9037 1.2446 0.0283  -0.0618 -0.2366 18 ASN A N   
130 C CA  . ASN A 18 ? 0.9653 0.8888 1.1968 0.0459  -0.0698 -0.2326 18 ASN A CA  
131 C C   . ASN A 18 ? 1.0005 0.8908 1.1654 0.0693  -0.0864 -0.2083 18 ASN A C   
132 O O   . ASN A 18 ? 1.0537 0.9565 1.2094 0.0892  -0.1109 -0.2126 18 ASN A O   
133 C CB  . ASN A 18 ? 0.9999 0.9412 1.2465 0.0332  -0.0350 -0.2179 18 ASN A CB  
134 C CG  . ASN A 18 ? 1.0259 1.0043 1.3415 0.0074  -0.0126 -0.2365 18 ASN A CG  
135 O OD1 . ASN A 18 ? 0.9950 1.0042 1.3626 0.0034  -0.0303 -0.2686 18 ASN A OD1 
136 N ND2 . ASN A 18 ? 1.0935 1.0689 1.4107 -0.0101 0.0266  -0.2155 18 ASN A ND2 
137 N N   . TYR A 19 ? 0.8728 0.7216 0.9934 0.0674  -0.0743 -0.1827 19 TYR A N   
138 C CA  . TYR A 19 ? 0.8266 0.6479 0.8903 0.0861  -0.0841 -0.1553 19 TYR A CA  
139 C C   . TYR A 19 ? 0.7692 0.5766 0.8041 0.1035  -0.1113 -0.1606 19 TYR A C   
140 O O   . TYR A 19 ? 0.8317 0.6170 0.8202 0.1173  -0.1163 -0.1351 19 TYR A O   
141 C CB  . TYR A 19 ? 0.9186 0.7068 0.9502 0.0778  -0.0561 -0.1246 19 TYR A CB  
142 C CG  . TYR A 19 ? 0.8989 0.6954 0.9467 0.0652  -0.0291 -0.1159 19 TYR A CG  
143 C CD1 . TYR A 19 ? 0.9375 0.7391 0.9719 0.0772  -0.0313 -0.1015 19 TYR A CD1 
144 C CD2 . TYR A 19 ? 0.8884 0.6860 0.9636 0.0427  -0.0024 -0.1215 19 TYR A CD2 
145 C CE1 . TYR A 19 ? 1.0098 0.8188 1.0525 0.0707  -0.0075 -0.0949 19 TYR A CE1 
146 C CE2 . TYR A 19 ? 0.9301 0.7354 1.0138 0.0334  0.0248  -0.1112 19 TYR A CE2 
147 C CZ  . TYR A 19 ? 0.9979 0.8097 1.0627 0.0494  0.0223  -0.0988 19 TYR A CZ  
148 O OH  . TYR A 19 ? 0.9724 0.7914 1.0391 0.0451  0.0486  -0.0898 19 TYR A OH  
149 N N   . CYS A 20 ? 0.8746 0.6955 0.9364 0.1042  -0.1289 -0.1928 20 CYS A N   
150 C CA  . CYS A 20 ? 0.8698 0.6773 0.8993 0.1251  -0.1563 -0.2008 20 CYS A CA  
151 C C   . CYS A 20 ? 0.8693 0.6885 0.8848 0.1470  -0.1856 -0.2026 20 CYS A C   
152 O O   . CYS A 20 ? 0.8579 0.7058 0.9107 0.1462  -0.1957 -0.2204 20 CYS A O   
153 C CB  . CYS A 20 ? 0.8463 0.6607 0.9102 0.1204  -0.1692 -0.2380 20 CYS A CB  
154 S SG  . CYS A 20 ? 0.6429 0.4302 0.7137 0.0983  -0.1433 -0.2353 20 CYS A SG  
155 N N   . ASN A 21 ? 0.8309 0.6279 0.7919 0.1675  -0.1990 -0.1835 21 ASN A N   
156 C CA  . ASN A 21 ? 0.7908 0.5899 0.7303 0.1886  -0.2277 -0.1794 21 ASN A CA  
157 C C   . ASN A 21 ? 0.6666 0.4842 0.6302 0.2011  -0.2601 -0.2209 21 ASN A C   
158 O O   . ASN A 21 ? 0.7635 0.5929 0.7343 0.2130  -0.2843 -0.2299 21 ASN A O   
159 C CB  . ASN A 21 ? 0.8742 0.6460 0.7497 0.2063  -0.2307 -0.1467 21 ASN A CB  
160 C CG  . ASN A 21 ? 0.9697 0.7272 0.8267 0.1960  -0.2032 -0.1057 21 ASN A CG  
161 O OD1 . ASN A 21 ? 0.9508 0.7116 0.8341 0.1767  -0.1796 -0.1035 21 ASN A OD1 
162 N ND2 . ASN A 21 ? 0.9585 0.7003 0.7708 0.2093  -0.2060 -0.0724 21 ASN A ND2 
163 O OXT . ASN A 21 ? 0.7098 0.5295 0.6876 0.2008  -0.2656 -0.2482 21 ASN A OXT 
164 N N   . PHE B 1  ? 0.7399 1.5842 0.6940 -0.0808 -0.0016 0.0520  1  PHE B N   
165 C CA  . PHE B 1  ? 0.7470 1.5743 0.7085 -0.0473 0.0001  0.0775  1  PHE B CA  
166 C C   . PHE B 1  ? 0.8648 1.6863 0.8581 -0.0366 -0.0001 0.0854  1  PHE B C   
167 O O   . PHE B 1  ? 0.8810 1.6501 0.8708 -0.0473 0.0038  0.0761  1  PHE B O   
168 C CB  . PHE B 1  ? 0.7062 1.4603 0.6373 -0.0404 0.0106  0.0822  1  PHE B CB  
169 C CG  . PHE B 1  ? 0.7662 1.5151 0.6908 -0.0099 0.0123  0.1053  1  PHE B CG  
170 C CD1 . PHE B 1  ? 0.7738 1.5569 0.7286 0.0153  0.0096  0.1248  1  PHE B CD1 
171 C CD2 . PHE B 1  ? 0.6736 1.3808 0.5606 -0.0063 0.0194  0.1078  1  PHE B CD2 
172 C CE1 . PHE B 1  ? 0.7721 1.5475 0.7218 0.0441  0.0142  0.1468  1  PHE B CE1 
173 C CE2 . PHE B 1  ? 0.5868 1.2858 0.4662 0.0216  0.0228  0.1292  1  PHE B CE2 
174 C CZ  . PHE B 1  ? 0.6620 1.3951 0.5737 0.0472  0.0202  0.1490  1  PHE B CZ  
175 N N   . VAL B 2  ? 1.0895 1.9456 1.1029 -0.0144 -0.0020 0.1023  2  VAL B N   
176 C CA  . VAL B 2  ? 1.0785 1.8919 1.0938 -0.0040 -0.0028 0.1078  2  VAL B CA  
177 C C   . VAL B 2  ? 1.0606 1.8233 1.0789 0.0094  0.0014  0.1184  2  VAL B C   
178 O O   . VAL B 2  ? 1.0334 1.7474 1.0530 0.0066  0.0063  0.1139  2  VAL B O   
179 C CB  . VAL B 2  ? 1.1014 1.9384 1.1131 0.0157  0.0019  0.1247  2  VAL B CB  
180 C CG1 . VAL B 2  ? 1.0984 1.9119 1.1160 0.0183  0.0026  0.1259  2  VAL B CG1 
181 C CG2 . VAL B 2  ? 1.1018 2.0097 1.1151 0.0051  0.0024  0.1183  2  VAL B CG2 
182 N N   . ASN B 3  ? 0.9357 1.6803 0.9494 0.0221  0.0101  0.1282  3  ASN B N   
183 C CA  . ASN B 3  ? 0.8875 1.5606 0.8990 0.0328  0.0226  0.1344  3  ASN B CA  
184 C C   . ASN B 3  ? 0.7867 1.4054 0.7909 0.0113  0.0284  0.1169  3  ASN B C   
185 O O   . ASN B 3  ? 0.6611 1.2312 0.6732 0.0156  0.0356  0.1183  3  ASN B O   
186 C CB  . ASN B 3  ? 0.8375 1.4951 0.8348 0.0486  0.0319  0.1468  3  ASN B CB  
187 C CG  . ASN B 3  ? 0.8350 1.4443 0.8421 0.0696  0.0440  0.1611  3  ASN B CG  
188 O OD1 . ASN B 3  ? 0.7149 1.2872 0.7344 0.0658  0.0473  0.1565  3  ASN B OD1 
189 N ND2 . ASN B 3  ? 0.7702 1.3769 0.7700 0.0906  0.0519  0.1774  3  ASN B ND2 
190 N N   . GLN B 4  ? 0.9019 1.5288 0.8916 -0.0117 0.0266  0.1005  4  GLN B N   
191 C CA  . GLN B 4  ? 0.9016 1.4797 0.8858 -0.0301 0.0337  0.0863  4  GLN B CA  
192 C C   . GLN B 4  ? 0.8782 1.4507 0.8778 -0.0345 0.0294  0.0812  4  GLN B C   
193 O O   . GLN B 4  ? 0.9002 1.4249 0.9037 -0.0355 0.0363  0.0797  4  GLN B O   
194 C CB  . GLN B 4  ? 0.9459 1.5336 0.9101 -0.0541 0.0349  0.0696  4  GLN B CB  
195 C CG  . GLN B 4  ? 1.0229 1.5636 0.9831 -0.0717 0.0443  0.0566  4  GLN B CG  
196 C CD  . GLN B 4  ? 1.0490 1.6073 0.9943 -0.0980 0.0451  0.0375  4  GLN B CD  
197 O OE1 . GLN B 4  ? 1.0112 1.6183 0.9473 -0.1057 0.0380  0.0319  4  GLN B OE1 
198 N NE2 . GLN B 4  ? 1.0542 1.5744 0.9981 -0.1118 0.0547  0.0273  4  GLN B NE2 
199 N N   . HIS B 5  ? 0.6845 1.3050 0.6906 -0.0370 0.0189  0.0786  5  HIS B N   
200 C CA  . HIS B 5  ? 0.5307 1.1381 0.5444 -0.0419 0.0179  0.0724  5  HIS B CA  
201 C C   . HIS B 5  ? 0.5077 1.0815 0.5331 -0.0243 0.0224  0.0834  5  HIS B C   
202 O O   . HIS B 5  ? 0.4427 0.9814 0.4720 -0.0293 0.0266  0.0779  5  HIS B O   
203 C CB  . HIS B 5  ? 0.5148 1.1754 0.5292 -0.0469 0.0095  0.0678  5  HIS B CB  
204 C CG  . HIS B 5  ? 0.4379 1.0804 0.4580 -0.0554 0.0125  0.0578  5  HIS B CG  
205 N ND1 . HIS B 5  ? 0.3439 0.9727 0.3767 -0.0426 0.0156  0.0645  5  HIS B ND1 
206 C CD2 . HIS B 5  ? 0.3636 0.9977 0.3800 -0.0754 0.0152  0.0414  5  HIS B CD2 
207 C CE1 . HIS B 5  ? 0.3651 0.9806 0.4019 -0.0544 0.0192  0.0528  5  HIS B CE1 
208 N NE2 . HIS B 5  ? 0.3722 0.9902 0.3988 -0.0733 0.0191  0.0397  5  HIS B NE2 
209 N N   . LEU B 6  ? 0.4940 1.0795 0.5249 -0.0042 0.0228  0.0989  6  LEU B N   
210 C CA  . LEU B 6  ? 0.4234 0.9755 0.4664 0.0102  0.0298  0.1070  6  LEU B CA  
211 C C   . LEU B 6  ? 0.4769 0.9794 0.5207 0.0081  0.0374  0.1049  6  LEU B C   
212 O O   . LEU B 6  ? 0.4169 0.8905 0.4688 0.0070  0.0412  0.1015  6  LEU B O   
213 C CB  . LEU B 6  ? 0.4349 1.0058 0.4831 0.0326  0.0319  0.1251  6  LEU B CB  
214 C CG  . LEU B 6  ? 0.4732 1.0984 0.5209 0.0388  0.0254  0.1321  6  LEU B CG  
215 C CD1 . LEU B 6  ? 0.4635 1.0990 0.5166 0.0646  0.0308  0.1541  6  LEU B CD1 
216 C CD2 . LEU B 6  ? 0.4009 1.0258 0.4583 0.0300  0.0256  0.1217  6  LEU B CD2 
217 N N   . CYS B 7  ? 0.5821 1.0753 0.6173 0.0068  0.0408  0.1065  7  CYS B N   
218 C CA  . CYS B 7  ? 0.5389 0.9856 0.5758 0.0055  0.0497  0.1056  7  CYS B CA  
219 C C   . CYS B 7  ? 0.4985 0.9256 0.5337 -0.0109 0.0492  0.0942  7  CYS B C   
220 O O   . CYS B 7  ? 0.5085 0.9066 0.5516 -0.0105 0.0532  0.0944  7  CYS B O   
221 C CB  . CYS B 7  ? 0.7054 1.1415 0.7309 0.0070  0.0571  0.1092  7  CYS B CB  
222 S SG  . CYS B 7  ? 0.7929 1.1733 0.8229 0.0057  0.0703  0.1092  7  CYS B SG  
223 N N   . GLY B 8  ? 0.4544 0.8997 0.4800 -0.0254 0.0447  0.0846  8  GLY B N   
224 C CA  . GLY B 8  ? 0.4393 0.8651 0.4626 -0.0392 0.0463  0.0756  8  GLY B CA  
225 C C   . GLY B 8  ? 0.4752 0.8968 0.5073 -0.0374 0.0433  0.0749  8  GLY B C   
226 O O   . GLY B 8  ? 0.4613 0.8595 0.4943 -0.0421 0.0461  0.0734  8  GLY B O   
227 N N   . SER B 9  ? 0.4770 0.9219 0.5148 -0.0304 0.0390  0.0764  9  SER B N   
228 C CA  . SER B 9  ? 0.3578 0.7962 0.4029 -0.0295 0.0394  0.0743  9  SER B CA  
229 C C   . SER B 9  ? 0.4270 0.8394 0.4807 -0.0218 0.0438  0.0795  9  SER B C   
230 O O   . SER B 9  ? 0.4166 0.8195 0.4733 -0.0256 0.0448  0.0761  9  SER B O   
231 C CB  . SER B 9  ? 0.2701 0.7353 0.3219 -0.0227 0.0378  0.0754  9  SER B CB  
232 O OG  . SER B 9  ? 0.2964 0.7696 0.3541 -0.0073 0.0391  0.0863  9  SER B OG  
233 N N   . HIS B 10 ? 0.4086 0.8118 0.4668 -0.0118 0.0473  0.0873  10 HIS B N   
234 C CA  . HIS B 10 ? 0.3631 0.7427 0.4323 -0.0064 0.0526  0.0910  10 HIS B CA  
235 C C   . HIS B 10 ? 0.4037 0.7643 0.4709 -0.0135 0.0538  0.0913  10 HIS B C   
236 O O   . HIS B 10 ? 0.3315 0.6795 0.4092 -0.0128 0.0558  0.0931  10 HIS B O   
237 C CB  . HIS B 10 ? 0.3867 0.7621 0.4643 0.0081  0.0587  0.0995  10 HIS B CB  
238 C CG  . HIS B 10 ? 0.3011 0.6889 0.3867 0.0178  0.0609  0.1018  10 HIS B CG  
239 N ND1 . HIS B 10 ? 0.3590 0.7330 0.4608 0.0228  0.0684  0.1004  10 HIS B ND1 
240 C CD2 . HIS B 10 ? 0.2678 0.6822 0.3500 0.0232  0.0579  0.1055  10 HIS B CD2 
241 C CE1 . HIS B 10 ? 0.2256 0.6120 0.3336 0.0312  0.0717  0.1031  10 HIS B CE1 
242 N NE2 . HIS B 10 ? 0.1951 0.6074 0.2916 0.0327  0.0648  0.1077  10 HIS B NE2 
243 N N   . LEU B 11 ? 0.4839 0.8437 0.5398 -0.0208 0.0539  0.0896  11 LEU B N   
244 C CA  . LEU B 11 ? 0.4702 0.8094 0.5254 -0.0272 0.0579  0.0908  11 LEU B CA  
245 C C   . LEU B 11 ? 0.5016 0.8415 0.5537 -0.0365 0.0542  0.0880  11 LEU B C   
246 O O   . LEU B 11 ? 0.4973 0.8261 0.5555 -0.0380 0.0554  0.0933  11 LEU B O   
247 C CB  . LEU B 11 ? 0.5359 0.8688 0.5792 -0.0330 0.0636  0.0884  11 LEU B CB  
248 C CG  . LEU B 11 ? 0.5288 0.8459 0.5735 -0.0264 0.0727  0.0936  11 LEU B CG  
249 C CD1 . LEU B 11 ? 0.5928 0.8830 0.6483 -0.0263 0.0802  0.0985  11 LEU B CD1 
250 C CD2 . LEU B 11 ? 0.5891 0.9164 0.6410 -0.0126 0.0716  0.0994  11 LEU B CD2 
251 N N   . VAL B 12 ? 0.6371 0.9926 0.6808 -0.0427 0.0499  0.0809  12 VAL B N   
252 C CA  . VAL B 12 ? 0.6984 1.0538 0.7363 -0.0519 0.0484  0.0783  12 VAL B CA  
253 C C   . VAL B 12 ? 0.6575 1.0171 0.7027 -0.0491 0.0451  0.0816  12 VAL B C   
254 O O   . VAL B 12 ? 0.6875 1.0454 0.7301 -0.0547 0.0438  0.0855  12 VAL B O   
255 C CB  . VAL B 12 ? 0.6963 1.0663 0.7254 -0.0596 0.0471  0.0688  12 VAL B CB  
256 C CG1 A VAL B 12 ? 0.8729 1.2423 0.8950 -0.0659 0.0509  0.0643  12 VAL B CG1 
257 C CG1 B VAL B 12 ? 0.7134 1.0800 0.7350 -0.0690 0.0483  0.0665  12 VAL B CG1 
258 C CG2 A VAL B 12 ? 0.6764 1.0655 0.7113 -0.0532 0.0437  0.0662  12 VAL B CG2 
259 C CG2 B VAL B 12 ? 0.7994 1.1706 0.8221 -0.0651 0.0504  0.0643  12 VAL B CG2 
260 N N   . GLU B 13 ? 0.4638 0.8302 0.5180 -0.0409 0.0448  0.0807  13 GLU B N   
261 C CA  . GLU B 13 ? 0.4281 0.7980 0.4907 -0.0401 0.0443  0.0813  13 GLU B CA  
262 C C   . GLU B 13 ? 0.5112 0.8727 0.5874 -0.0365 0.0449  0.0895  13 GLU B C   
263 O O   . GLU B 13 ? 0.4790 0.8484 0.5616 -0.0405 0.0424  0.0912  13 GLU B O   
264 C CB  . GLU B 13 ? 0.3357 0.7109 0.4074 -0.0328 0.0482  0.0766  13 GLU B CB  
265 C CG  . GLU B 13 ? 0.4693 0.8355 0.5541 -0.0205 0.0530  0.0811  13 GLU B CG  
266 C CD  . GLU B 13 ? 0.4071 0.7774 0.5022 -0.0126 0.0590  0.0781  13 GLU B CD  
267 O OE1 . GLU B 13 ? 0.3612 0.7431 0.4519 -0.0156 0.0590  0.0730  13 GLU B OE1 
268 O OE2 . GLU B 13 ? 0.3979 0.7588 0.5077 -0.0034 0.0657  0.0809  13 GLU B OE2 
269 N N   . ALA B 14 ? 0.5307 0.8787 0.6127 -0.0301 0.0486  0.0943  14 ALA B N   
270 C CA  . ALA B 14 ? 0.4945 0.8329 0.5933 -0.0268 0.0507  0.1024  14 ALA B CA  
271 C C   . ALA B 14 ? 0.4907 0.8292 0.5867 -0.0341 0.0476  0.1102  14 ALA B C   
272 O O   . ALA B 14 ? 0.4888 0.8334 0.6002 -0.0351 0.0443  0.1182  14 ALA B O   
273 C CB  . ALA B 14 ? 0.5509 0.8729 0.6555 -0.0180 0.0582  0.1048  14 ALA B CB  
274 N N   . LEU B 15 ? 0.3950 0.7277 0.4742 -0.0397 0.0492  0.1085  15 LEU B N   
275 C CA  . LEU B 15 ? 0.4455 0.7746 0.5215 -0.0462 0.0493  0.1168  15 LEU B CA  
276 C C   . LEU B 15 ? 0.4494 0.7991 0.5195 -0.0533 0.0412  0.1202  15 LEU B C   
277 O O   . LEU B 15 ? 0.4798 0.8366 0.5570 -0.0557 0.0377  0.1339  15 LEU B O   
278 C CB  . LEU B 15 ? 0.4974 0.8114 0.5567 -0.0519 0.0567  0.1105  15 LEU B CB  
279 C CG  . LEU B 15 ? 0.4673 0.7623 0.5277 -0.0486 0.0664  0.1073  15 LEU B CG  
280 C CD1 . LEU B 15 ? 0.5721 0.8540 0.6160 -0.0576 0.0753  0.0997  15 LEU B CD1 
281 C CD2 . LEU B 15 ? 0.5600 0.8408 0.6383 -0.0430 0.0718  0.1183  15 LEU B CD2 
282 N N   . TYR B 16 ? 0.4815 0.8425 0.5391 -0.0572 0.0384  0.1093  16 TYR B N   
283 C CA  . TYR B 16 ? 0.4813 0.8613 0.5289 -0.0659 0.0327  0.1103  16 TYR B CA  
284 C C   . TYR B 16 ? 0.4790 0.8783 0.5425 -0.0662 0.0263  0.1181  16 TYR B C   
285 O O   . TYR B 16 ? 0.5240 0.9417 0.5836 -0.0742 0.0198  0.1288  16 TYR B O   
286 C CB  . TYR B 16 ? 0.5391 0.9245 0.5746 -0.0691 0.0341  0.0956  16 TYR B CB  
287 C CG  . TYR B 16 ? 0.5993 1.0023 0.6222 -0.0792 0.0309  0.0936  16 TYR B CG  
288 C CD1 . TYR B 16 ? 0.6640 1.0649 0.6669 -0.0883 0.0314  0.0963  16 TYR B CD1 
289 C CD2 . TYR B 16 ? 0.5674 0.9856 0.5967 -0.0803 0.0298  0.0878  16 TYR B CD2 
290 C CE1 . TYR B 16 ? 0.6645 1.0785 0.6501 -0.0983 0.0295  0.0943  16 TYR B CE1 
291 C CE2 . TYR B 16 ? 0.5660 1.0009 0.5797 -0.0923 0.0284  0.0837  16 TYR B CE2 
292 C CZ  . TYR B 16 ? 0.5859 1.0185 0.5753 -0.1013 0.0275  0.0874  16 TYR B CZ  
293 O OH  . TYR B 16 ? 0.6160 1.0593 0.5824 -0.1135 0.0269  0.0830  16 TYR B OH  
294 N N   . LEU B 17 ? 0.4438 0.8400 0.5265 -0.0583 0.0283  0.1129  17 LEU B N   
295 C CA  . LEU B 17 ? 0.4566 0.8690 0.5617 -0.0596 0.0230  0.1156  17 LEU B CA  
296 C C   . LEU B 17 ? 0.4361 0.8489 0.5631 -0.0570 0.0182  0.1322  17 LEU B C   
297 O O   . LEU B 17 ? 0.4207 0.8564 0.5640 -0.0626 0.0070  0.1384  17 LEU B O   
298 C CB  . LEU B 17 ? 0.4342 0.8355 0.5573 -0.0509 0.0302  0.1039  17 LEU B CB  
299 C CG  . LEU B 17 ? 0.5202 0.9363 0.6693 -0.0541 0.0268  0.0986  17 LEU B CG  
300 C CD1 . LEU B 17 ? 0.5651 1.0090 0.6994 -0.0687 0.0210  0.0904  17 LEU B CD1 
301 C CD2 . LEU B 17 ? 0.4792 0.8773 0.6491 -0.0438 0.0388  0.0887  17 LEU B CD2 
302 N N   . VAL B 18 ? 0.4647 0.8535 0.5948 -0.0492 0.0254  0.1386  18 VAL B N   
303 C CA  . VAL B 18 ? 0.4093 0.7937 0.5648 -0.0449 0.0242  0.1548  18 VAL B CA  
304 C C   . VAL B 18 ? 0.4628 0.8599 0.6103 -0.0513 0.0191  0.1728  18 VAL B C   
305 O O   . VAL B 18 ? 0.4671 0.8854 0.6376 -0.0528 0.0083  0.1889  18 VAL B O   
306 C CB  . VAL B 18 ? 0.4923 0.8440 0.6533 -0.0350 0.0372  0.1532  18 VAL B CB  
307 C CG1 . VAL B 18 ? 0.5190 0.8613 0.7020 -0.0311 0.0396  0.1707  18 VAL B CG1 
308 C CG2 . VAL B 18 ? 0.5686 0.9103 0.7447 -0.0275 0.0422  0.1419  18 VAL B CG2 
309 N N   . CYS B 19 ? 0.3793 0.7626 0.4968 -0.0547 0.0260  0.1697  19 CYS B N   
310 C CA  . CYS B 19 ? 0.4930 0.8768 0.5999 -0.0590 0.0260  0.1863  19 CYS B CA  
311 C C   . CYS B 19 ? 0.5103 0.9280 0.6032 -0.0696 0.0138  0.1956  19 CYS B C   
312 O O   . CYS B 19 ? 0.5831 1.0079 0.6791 -0.0689 0.0051  0.2164  19 CYS B O   
313 C CB  . CYS B 19 ? 0.5933 0.9465 0.6732 -0.0608 0.0385  0.1736  19 CYS B CB  
314 S SG  . CYS B 19 ? 0.4745 0.7940 0.5610 -0.0540 0.0525  0.1593  19 CYS B SG  
315 N N   . GLY B 20 ? 0.7982 0.8774 0.5717 0.1281  0.0838  0.2385  20 GLY B N   
316 C CA  . GLY B 20 ? 0.8874 0.9272 0.6184 0.0969  0.0753  0.2382  20 GLY B CA  
317 C C   . GLY B 20 ? 0.8957 0.9115 0.5932 0.0799  0.0679  0.2313  20 GLY B C   
318 O O   . GLY B 20 ? 0.9344 0.9566 0.6283 0.0859  0.0774  0.2183  20 GLY B O   
319 N N   . GLU B 21 ? 0.9652 0.9513 0.6378 0.0589  0.0498  0.2414  21 GLU B N   
320 C CA  . GLU B 21 ? 0.9999 0.9591 0.6378 0.0407  0.0412  0.2380  21 GLU B CA  
321 C C   . GLU B 21 ? 0.9722 0.9537 0.6368 0.0598  0.0404  0.2380  21 GLU B C   
322 O O   . GLU B 21 ? 1.0437 1.0132 0.6878 0.0514  0.0400  0.2322  21 GLU B O   
323 C CB  . GLU B 21 ? 1.0827 0.9972 0.6828 0.0171  0.0201  0.2501  21 GLU B CB  
324 C CG  . GLU B 21 ? 1.1532 1.0381 0.7175 -0.0011 0.0207  0.2508  21 GLU B CG  
325 C CD  . GLU B 21 ? 1.2905 1.1239 0.8146 -0.0064 0.0070  0.2575  21 GLU B CD  
326 O OE1 . GLU B 21 ? 1.3374 1.1578 0.8535 0.0012  0.0010  0.2601  21 GLU B OE1 
327 O OE2 . GLU B 21 ? 1.4500 1.2714 0.9631 -0.0032 0.0098  0.2635  21 GLU B OE2 
328 N N   . ARG B 22 ? 0.9068 0.9208 0.6157 0.0849  0.0419  0.2450  22 ARG B N   
329 C CA  . ARG B 22 ? 0.8488 0.8848 0.5811 0.1043  0.0437  0.2451  22 ARG B CA  
330 C C   . ARG B 22 ? 0.8657 0.9174 0.5975 0.1186  0.0595  0.2289  22 ARG B C   
331 O O   . ARG B 22 ? 0.8545 0.9052 0.5809 0.1219  0.0584  0.2259  22 ARG B O   
332 C CB  . ARG B 22 ? 0.8313 0.9002 0.6082 0.1280  0.0475  0.2550  22 ARG B CB  
333 C CG  . ARG B 22 ? 0.8847 0.9411 0.6714 0.1181  0.0299  0.2730  22 ARG B CG  
334 C CD  A ARG B 22 ? 0.8144 0.9062 0.6477 0.1407  0.0388  0.2828  22 ARG B CD  
335 C CD  B ARG B 22 ? 0.9123 1.0045 0.7460 0.1413  0.0388  0.2828  22 ARG B CD  
336 N NE  A ARG B 22 ? 0.8130 0.9208 0.6588 0.1478  0.0510  0.2816  22 ARG B NE  
337 N NE  B ARG B 22 ? 0.8083 0.9290 0.6608 0.1659  0.0525  0.2782  22 ARG B NE  
338 C CZ  A ARG B 22 ? 0.7418 0.8791 0.6249 0.1650  0.0616  0.2908  22 ARG B CZ  
339 C CZ  B ARG B 22 ? 0.7719 0.9238 0.6589 0.1880  0.0649  0.2856  22 ARG B CZ  
340 N NH1 A ARG B 22 ? 0.7503 0.9049 0.6618 0.1769  0.0636  0.3016  22 ARG B NH1 
341 N NH1 B ARG B 22 ? 0.7550 0.9165 0.6678 0.1884  0.0657  0.2990  22 ARG B NH1 
342 N NH2 A ARG B 22 ? 0.6611 0.8105 0.5539 0.1703  0.0720  0.2905  22 ARG B NH2 
343 N NH2 B ARG B 22 ? 0.7144 0.8875 0.6081 0.2103  0.0781  0.2800  22 ARG B NH2 
344 N N   . GLY B 23 ? 0.7866 0.8519 0.5252 0.1283  0.0731  0.2195  23 GLY B N   
345 C CA  . GLY B 23 ? 0.8364 0.9167 0.5785 0.1448  0.0860  0.2050  23 GLY B CA  
346 C C   . GLY B 23 ? 0.9962 1.1128 0.7717 0.1784  0.0933  0.2047  23 GLY B C   
347 O O   . GLY B 23 ? 0.9559 1.0877 0.7520 0.1892  0.0914  0.2150  23 GLY B O   
348 N N   . PHE B 24 ? 0.8804 1.0101 0.6593 0.1950  0.1025  0.1927  24 PHE B N   
349 C CA  . PHE B 24 ? 0.7739 0.9355 0.5767 0.2268  0.1090  0.1910  24 PHE B CA  
350 C C   . PHE B 24 ? 0.7695 0.9354 0.5639 0.2402  0.1108  0.1785  24 PHE B C   
351 O O   . PHE B 24 ? 0.8336 0.9809 0.6087 0.2258  0.1108  0.1705  24 PHE B O   
352 C CB  . PHE B 24 ? 0.6461 0.8233 0.4666 0.2375  0.1155  0.1934  24 PHE B CB  
353 C CG  . PHE B 24 ? 0.5757 0.7425 0.3859 0.2306  0.1188  0.1852  24 PHE B CG  
354 C CD1 . PHE B 24 ? 0.7405 0.8839 0.5359 0.2056  0.1191  0.1863  24 PHE B CD1 
355 C CD2 . PHE B 24 ? 0.5504 0.7299 0.3637 0.2492  0.1217  0.1771  24 PHE B CD2 
356 C CE1 . PHE B 24 ? 0.6880 0.8223 0.4745 0.1996  0.1262  0.1785  24 PHE B CE1 
357 C CE2 . PHE B 24 ? 0.5580 0.7286 0.3641 0.2430  0.1260  0.1711  24 PHE B CE2 
358 C CZ  . PHE B 24 ? 0.6170 0.7654 0.4111 0.2183  0.1302  0.1713  24 PHE B CZ  
359 N N   . PHE B 25 ? 0.6471 0.8375 0.4543 0.2681  0.1133  0.1767  25 PHE B N   
360 C CA  . PHE B 25 ? 0.7098 0.9078 0.5099 0.2857  0.1127  0.1649  25 PHE B CA  
361 C C   . PHE B 25 ? 0.6731 0.8945 0.4864 0.3103  0.1146  0.1639  25 PHE B C   
362 O O   . PHE B 25 ? 0.7296 0.9687 0.5575 0.3248  0.1188  0.1713  25 PHE B O   
363 C CB  . PHE B 25 ? 0.7049 0.9065 0.4988 0.2969  0.1106  0.1631  25 PHE B CB  
364 C CG  . PHE B 25 ? 0.8131 1.0349 0.6214 0.3160  0.1151  0.1706  25 PHE B CG  
365 C CD1 . PHE B 25 ? 0.8706 1.0887 0.6879 0.3033  0.1167  0.1840  25 PHE B CD1 
366 C CD2 . PHE B 25 ? 0.7849 1.0279 0.5955 0.3460  0.1170  0.1650  25 PHE B CD2 
367 C CE1 . PHE B 25 ? 0.7635 1.0010 0.5941 0.3207  0.1248  0.1920  25 PHE B CE1 
368 C CE2 . PHE B 25 ? 0.7419 0.9921 0.5559 0.3516  0.1208  0.1701  25 PHE B CE2 
369 C CZ  . PHE B 25 ? 0.8013 1.0560 0.6298 0.3466  0.1295  0.1848  25 PHE B CZ  
370 N N   . TYR B 26 ? 0.6677 0.8890 0.4748 0.3143  0.1121  0.1564  26 TYR B N   
371 C CA  . TYR B 26 ? 0.7820 1.0236 0.5966 0.3367  0.1105  0.1570  26 TYR B CA  
372 C C   . TYR B 26 ? 0.8275 1.0725 0.6252 0.3482  0.1019  0.1444  26 TYR B C   
373 O O   . TYR B 26 ? 0.8498 1.0886 0.6364 0.3476  0.0987  0.1367  26 TYR B O   
374 C CB  . TYR B 26 ? 0.5244 0.7616 0.3417 0.3284  0.1126  0.1590  26 TYR B CB  
375 C CG  . TYR B 26 ? 0.5855 0.8364 0.4048 0.3389  0.1101  0.1591  26 TYR B CG  
376 C CD1 . TYR B 26 ? 0.6486 0.9078 0.4783 0.3391  0.1136  0.1660  26 TYR B CD1 
377 C CD2 . TYR B 26 ? 0.6050 0.8597 0.4135 0.3461  0.1052  0.1523  26 TYR B CD2 
378 C CE1 . TYR B 26 ? 0.5569 0.8271 0.3854 0.3467  0.1129  0.1665  26 TYR B CE1 
379 C CE2 . TYR B 26 ? 0.7380 1.0049 0.5455 0.3536  0.1033  0.1525  26 TYR B CE2 
380 C CZ  . TYR B 26 ? 0.6033 0.8777 0.4207 0.3541  0.1076  0.1598  26 TYR B CZ  
381 O OH  . TYR B 26 ? 0.7146 1.0029 0.5302 0.3638  0.1079  0.1611  26 TYR B OH  
382 N N   . THR B 27 ? 0.6722 0.9256 0.4652 0.3571  0.0989  0.1415  27 THR B N   
383 C CA  . THR B 27 ? 0.7102 0.9682 0.4845 0.3709  0.0898  0.1289  27 THR B CA  
384 C C   . THR B 27 ? 0.8097 1.0802 0.5784 0.3827  0.0876  0.1277  27 THR B C   
385 O O   . THR B 27 ? 0.8879 1.1624 0.6529 0.3906  0.0894  0.1304  27 THR B O   
386 C CB  . THR B 27 ? 0.8263 1.0800 0.5935 0.3749  0.0888  0.1263  27 THR B CB  
387 O OG1 . THR B 27 ? 0.7574 1.0009 0.5307 0.3650  0.0933  0.1305  27 THR B OG1 
388 C CG2 . THR B 27 ? 0.8536 1.1112 0.5988 0.3900  0.0776  0.1111  27 THR B CG2 
389 N N   . PRO B 28 ? 0.8593 1.1369 0.6259 0.3862  0.0849  0.1251  28 PRO B N   
390 C CA  . PRO B 28 ? 0.9094 1.2012 0.6676 0.4011  0.0836  0.1237  28 PRO B CA  
391 C C   . PRO B 28 ? 0.9062 1.2044 0.6414 0.4197  0.0733  0.1092  28 PRO B C   
392 O O   . PRO B 28 ? 0.9098 1.2173 0.6347 0.4347  0.0740  0.1096  28 PRO B O   
393 C CB  . PRO B 28 ? 0.9452 1.2435 0.7079 0.4000  0.0840  0.1249  28 PRO B CB  
394 C CG  . PRO B 28 ? 0.8355 1.1240 0.5980 0.3909  0.0801  0.1205  28 PRO B CG  
395 C CD  . PRO B 28 ? 0.7684 1.0430 0.5388 0.3790  0.0845  0.1249  28 PRO B CD  
396 N N   . LYS B 29 ? 0.9601 1.2544 0.6850 0.4209  0.0637  0.0962  29 LYS B N   
397 C CA  . LYS B 29 ? 0.9556 1.2560 0.6578 0.4392  0.0516  0.0789  29 LYS B CA  
398 C C   . LYS B 29 ? 0.9863 1.2762 0.6832 0.4361  0.0482  0.0725  29 LYS B C   
399 O O   . LYS B 29 ? 0.9901 1.2821 0.6718 0.4495  0.0426  0.0636  29 LYS B O   
400 C CB  . LYS B 29 ? 0.9871 1.2976 0.6784 0.4493  0.0403  0.0637  29 LYS B CB  
401 C CG  . LYS B 29 ? 0.9863 1.3133 0.6643 0.4716  0.0355  0.0560  29 LYS B CG  
402 C CD  . LYS B 29 ? 0.9524 1.2857 0.6411 0.4701  0.0500  0.0739  29 LYS B CD  
403 C CE  . LYS B 29 ? 0.9503 1.2829 0.6572 0.4549  0.0571  0.0834  29 LYS B CE  
404 N NZ  . LYS B 29 ? 0.9720 1.3103 0.6897 0.4519  0.0711  0.1009  29 LYS B NZ  
405 O OXT . LYS B 29 ? 0.9520 1.2319 0.6588 0.4221  0.0519  0.0762  29 LYS B OXT 
406 N N   . GLY C 1  ? 1.2366 0.8766 0.6957 -0.1973 0.3794  -0.0510 1  GLY C N   
407 C CA  . GLY C 1  ? 1.3937 1.0397 0.8103 -0.1954 0.3721  -0.0544 1  GLY C CA  
408 C C   . GLY C 1  ? 1.5361 1.1883 0.9226 -0.2084 0.3513  -0.0672 1  GLY C C   
409 O O   . GLY C 1  ? 1.5114 1.1597 0.9065 -0.2214 0.3456  -0.0797 1  GLY C O   
410 N N   . ILE C 2  ? 1.8509 1.5167 1.2025 -0.2026 0.3396  -0.0625 2  ILE C N   
411 C CA  . ILE C 2  ? 1.8338 1.5079 1.1558 -0.2136 0.3155  -0.0743 2  ILE C CA  
412 C C   . ILE C 2  ? 1.8085 1.4973 1.1471 -0.2187 0.2932  -0.0476 2  ILE C C   
413 O O   . ILE C 2  ? 1.8243 1.5133 1.1566 -0.2312 0.2739  -0.0625 2  ILE C O   
414 C CB  . ILE C 2  ? 1.8575 1.5463 1.1391 -0.2011 0.3093  -0.0729 2  ILE C CB  
415 C CG1 . ILE C 2  ? 1.8909 1.5928 1.1467 -0.2110 0.2796  -0.0806 2  ILE C CG1 
416 C CG2 . ILE C 2  ? 1.8379 1.5513 1.1321 -0.1817 0.3154  -0.0281 2  ILE C CG2 
417 C CD1 . ILE C 2  ? 1.9157 1.6380 1.1330 -0.1950 0.2727  -0.0755 2  ILE C CD1 
418 N N   . VAL C 3  ? 1.5127 1.2142 0.8755 -0.2069 0.2913  -0.0095 3  VAL C N   
419 C CA  . VAL C 3  ? 1.4294 1.1377 0.8038 -0.2104 0.2669  0.0149  3  VAL C CA  
420 C C   . VAL C 3  ? 1.3813 1.0755 0.7749 -0.2132 0.2684  0.0035  3  VAL C C   
421 O O   . VAL C 3  ? 1.3586 1.0533 0.7463 -0.2183 0.2440  0.0017  3  VAL C O   
422 C CB  . VAL C 3  ? 1.4549 1.1792 0.8551 -0.1966 0.2633  0.0585  3  VAL C CB  
423 C CG1 . VAL C 3  ? 1.2500 0.9715 0.6592 -0.2015 0.2341  0.0831  3  VAL C CG1 
424 C CG2 . VAL C 3  ? 1.3986 1.1460 0.7822 -0.1894 0.2646  0.0759  3  VAL C CG2 
425 N N   . GLU C 4  ? 1.3647 1.0506 0.7866 -0.2053 0.2929  -0.0033 4  GLU C N   
426 C CA  . GLU C 4  ? 1.2630 0.9425 0.7086 -0.2015 0.2976  -0.0070 4  GLU C CA  
427 C C   . GLU C 4  ? 1.2964 0.9723 0.7281 -0.2146 0.2965  -0.0343 4  GLU C C   
428 O O   . GLU C 4  ? 1.3127 0.9915 0.7571 -0.2079 0.2930  -0.0327 4  GLU C O   
429 C CB  . GLU C 4  ? 1.2303 0.9050 0.7113 -0.1907 0.3233  -0.0069 4  GLU C CB  
430 C CG  . GLU C 4  ? 1.2146 0.8904 0.7258 -0.1789 0.3281  -0.0008 4  GLU C CG  
431 C CD  . GLU C 4  ? 1.1929 0.8663 0.7394 -0.1685 0.3492  0.0018  4  GLU C CD  
432 O OE1 . GLU C 4  ? 1.1920 0.8603 0.7367 -0.1698 0.3591  -0.0002 4  GLU C OE1 
433 O OE2 . GLU C 4  ? 1.1825 0.8602 0.7554 -0.1572 0.3556  0.0067  4  GLU C OE2 
434 N N   . GLN C 5  ? 1.5252 1.2002 0.9382 -0.2277 0.2941  -0.0595 5  GLN C N   
435 C CA  . GLN C 5  ? 1.5221 1.2028 0.9489 -0.2349 0.2809  -0.0861 5  GLN C CA  
436 C C   . GLN C 5  ? 1.5153 1.2101 0.9234 -0.2395 0.2416  -0.0931 5  GLN C C   
437 O O   . GLN C 5  ? 1.4992 1.2051 0.9197 -0.2375 0.2211  -0.0979 5  GLN C O   
438 C CB  . GLN C 5  ? 1.5692 1.2362 1.0037 -0.2446 0.3000  -0.1143 5  GLN C CB  
439 C CG  . GLN C 5  ? 1.5483 1.2208 1.0055 -0.2542 0.2848  -0.1402 5  GLN C CG  
440 C CD  . GLN C 5  ? 1.5959 1.2499 1.0682 -0.2635 0.2968  -0.1685 5  GLN C CD  
441 O OE1 . GLN C 5  ? 1.6067 1.2426 1.0741 -0.2605 0.3199  -0.1697 5  GLN C OE1 
442 N NE2 . GLN C 5  ? 1.6287 1.2857 1.1217 -0.2737 0.2783  -0.1921 5  GLN C NE2 
443 N N   . CYS C 6  ? 1.3584 1.0556 0.7365 -0.2430 0.2313  -0.0921 6  CYS C N   
444 C CA  . CYS C 6  ? 1.3331 1.0445 0.6944 -0.2484 0.1954  -0.0999 6  CYS C CA  
445 C C   . CYS C 6  ? 1.2134 0.9369 0.5752 -0.2426 0.1650  -0.0719 6  CYS C C   
446 O O   . CYS C 6  ? 1.0238 0.7587 0.3819 -0.2460 0.1315  -0.0788 6  CYS C O   
447 C CB  . CYS C 6  ? 1.2153 0.9276 0.5433 -0.2507 0.1969  -0.1098 6  CYS C CB  
448 S SG  . CYS C 6  ? 1.3160 1.0084 0.6420 -0.2557 0.2168  -0.1524 6  CYS C SG  
449 N N   . CYS C 7  ? 0.8592 0.5002 1.0519 0.1525  0.2835  0.1226  7  CYS C N   
450 C CA  . CYS C 7  ? 0.8669 0.5003 1.0641 0.1471  0.2821  0.1285  7  CYS C CA  
451 C C   . CYS C 7  ? 0.8074 0.4447 1.0185 0.1407  0.2808  0.1167  7  CYS C C   
452 O O   . CYS C 7  ? 0.7741 0.4019 0.9892 0.1379  0.2753  0.1177  7  CYS C O   
453 C CB  . CYS C 7  ? 0.8114 0.4472 1.0036 0.1428  0.2919  0.1454  7  CYS C CB  
454 S SG  . CYS C 7  ? 0.7300 0.3603 0.9057 0.1540  0.2938  0.1655  7  CYS C SG  
455 N N   . THR C 8  ? 0.9329 0.5830 1.1517 0.1394  0.2848  0.1066  8  THR C N   
456 C CA  . THR C 8  ? 0.9158 0.5716 1.1473 0.1377  0.2847  0.0964  8  THR C CA  
457 C C   . THR C 8  ? 0.9474 0.6061 1.1884 0.1443  0.2774  0.0851  8  THR C C   
458 O O   . THR C 8  ? 1.0294 0.6893 1.2787 0.1476  0.2743  0.0770  8  THR C O   
459 C CB  . THR C 8  ? 0.6562 0.3274 0.8932 0.1313  0.2978  0.0968  8  THR C CB  
460 O OG1 . THR C 8  ? 0.9335 0.6140 1.1732 0.1312  0.3014  0.0963  8  THR C OG1 
461 C CG2 . THR C 8  ? 0.6540 0.3239 0.8832 0.1255  0.3050  0.1069  8  THR C CG2 
462 N N   . SER C 9  ? 0.8504 0.5102 1.0906 0.1481  0.2736  0.0839  9  SER C N   
463 C CA  . SER C 9  ? 0.8587 0.5212 1.1103 0.1549  0.2653  0.0738  9  SER C CA  
464 C C   . SER C 9  ? 0.8703 0.5204 1.1105 0.1628  0.2540  0.0739  9  SER C C   
465 O O   . SER C 9  ? 0.8565 0.5028 1.0838 0.1636  0.2554  0.0810  9  SER C O   
466 C CB  . SER C 9  ? 0.8220 0.5012 1.0919 0.1520  0.2715  0.0706  9  SER C CB  
467 O OG  . SER C 9  ? 0.8253 0.5166 1.1050 0.1466  0.2836  0.0721  9  SER C OG  
468 N N   . ILE C 10 ? 0.9596 0.6039 1.2034 0.1709  0.2428  0.0660  10 ILE C N   
469 C CA  . ILE C 10 ? 0.9532 0.5853 1.1856 0.1806  0.2313  0.0654  10 ILE C CA  
470 C C   . ILE C 10 ? 0.9583 0.5966 1.1944 0.1837  0.2285  0.0614  10 ILE C C   
471 O O   . ILE C 10 ? 0.9764 0.6266 1.2329 0.1821  0.2281  0.0537  10 ILE C O   
472 C CB  . ILE C 10 ? 0.9909 0.6161 1.2274 0.1893  0.2194  0.0562  10 ILE C CB  
473 C CG1 . ILE C 10 ? 1.0977 0.7095 1.3266 0.1884  0.2173  0.0604  10 ILE C CG1 
474 C CG2 . ILE C 10 ? 0.9395 0.5548 1.1666 0.2010  0.2070  0.0533  10 ILE C CG2 
475 C CD1 . ILE C 10 ? 0.9730 0.5742 1.2023 0.1987  0.2035  0.0513  10 ILE C CD1 
476 N N   . CYS C 11 ? 0.9227 0.5525 1.1404 0.1896  0.2259  0.0672  11 CYS C N   
477 C CA  . CYS C 11 ? 1.0978 0.7296 1.3150 0.1954  0.2198  0.0621  11 CYS C CA  
478 C C   . CYS C 11 ? 1.1075 0.7304 1.3213 0.2101  0.2030  0.0528  11 CYS C C   
479 O O   . CYS C 11 ? 1.0114 0.6230 1.2087 0.2191  0.1988  0.0571  11 CYS C O   
480 C CB  . CYS C 11 ? 1.1724 0.8013 1.3691 0.1975  0.2264  0.0727  11 CYS C CB  
481 S SG  . CYS C 11 ? 0.9583 0.5999 1.1618 0.1827  0.2423  0.0787  11 CYS C SG  
482 N N   . SER C 12 ? 1.0500 0.6775 1.2811 0.2128  0.1932  0.0409  12 SER C N   
483 C CA  . SER C 12 ? 1.0143 0.6339 1.2442 0.2277  0.1752  0.0298  12 SER C CA  
484 C C   . SER C 12 ? 1.0510 0.6605 1.2573 0.2421  0.1661  0.0294  12 SER C C   
485 O O   . SER C 12 ? 1.0814 0.6919 1.2762 0.2401  0.1735  0.0365  12 SER C O   
486 C CB  . SER C 12 ? 1.0254 0.6536 1.2867 0.2257  0.1679  0.0185  12 SER C CB  
487 O OG  . SER C 12 ? 1.1173 0.7501 1.3903 0.2189  0.1699  0.0190  12 SER C OG  
488 N N   . LEU C 13 ? 0.9220 1.5809 0.8097 0.2618  -0.1330 -0.4171 13 LEU C N   
489 C CA  . LEU C 13 ? 0.9753 1.5874 0.8809 0.2252  -0.1397 -0.4229 13 LEU C CA  
490 C C   . LEU C 13 ? 0.8542 1.5203 0.8221 0.1848  -0.1397 -0.4302 13 LEU C C   
491 O O   . LEU C 13 ? 0.7755 1.3793 0.7518 0.1494  -0.1379 -0.4282 13 LEU C O   
492 C CB  . LEU C 13 ? 0.9309 1.5534 0.8286 0.2464  -0.1529 -0.4303 13 LEU C CB  
493 C CG  . LEU C 13 ? 0.9355 1.4921 0.7679 0.2835  -0.1547 -0.4218 13 LEU C CG  
494 C CD1 . LEU C 13 ? 0.7979 1.3711 0.6260 0.3059  -0.1703 -0.4313 13 LEU C CD1 
495 C CD2 . LEU C 13 ? 0.8677 1.2955 0.6511 0.2585  -0.1463 -0.4087 13 LEU C CD2 
496 N N   . TYR C 14 ? 1.1813 1.9633 1.1927 0.1875  -0.1417 -0.4346 14 TYR C N   
497 C CA  . TYR C 14 ? 1.1429 1.9651 1.2245 0.1413  -0.1411 -0.4271 14 TYR C CA  
498 C C   . TYR C 14 ? 1.1291 1.9004 1.1984 0.1204  -0.1301 -0.4248 14 TYR C C   
499 O O   . TYR C 14 ? 1.1468 1.8901 1.2459 0.0812  -0.1308 -0.4243 14 TYR C O   
500 C CB  . TYR C 14 ? 1.1513 2.0828 1.3053 0.1435  -0.1302 -0.4008 14 TYR C CB  
501 C CG  . TYR C 14 ? 1.2400 2.2381 1.4142 0.1706  -0.1414 -0.4015 14 TYR C CG  
502 C CD1 . TYR C 14 ? 1.3630 2.3831 1.5823 0.1464  -0.1635 -0.4085 14 TYR C CD1 
503 C CD2 . TYR C 14 ? 1.2031 2.2405 1.3485 0.2235  -0.1318 -0.3956 14 TYR C CD2 
504 C CE1 . TYR C 14 ? 1.3758 2.4616 1.6180 0.1728  -0.1783 -0.4102 14 TYR C CE1 
505 C CE2 . TYR C 14 ? 1.2605 2.3653 1.4284 0.2526  -0.1426 -0.3961 14 TYR C CE2 
506 C CZ  . TYR C 14 ? 1.3587 2.4907 1.5785 0.2264  -0.1672 -0.4037 14 TYR C CZ  
507 O OH  . TYR C 14 ? 1.4251 2.6290 1.6716 0.2568  -0.1825 -0.4052 14 TYR C OH  
508 N N   . GLN C 15 ? 0.9247 1.6795 0.9482 0.1488  -0.1208 -0.4219 15 GLN C N   
509 C CA  . GLN C 15 ? 0.9241 1.6293 0.9370 0.1325  -0.1144 -0.4185 15 GLN C CA  
510 C C   . GLN C 15 ? 0.7518 1.3507 0.7524 0.1102  -0.1147 -0.4152 15 GLN C C   
511 O O   . GLN C 15 ? 0.7271 1.2998 0.7490 0.0815  -0.1119 -0.4133 15 GLN C O   
512 C CB  . GLN C 15 ? 0.9551 1.6523 0.9182 0.1704  -0.1071 -0.4108 15 GLN C CB  
513 C CG  . GLN C 15 ? 0.8330 1.6161 0.8232 0.1897  -0.0902 -0.3883 15 GLN C CG  
514 C CD  . GLN C 15 ? 0.8628 1.6317 0.7856 0.2370  -0.0827 -0.3837 15 GLN C CD  
515 O OE1 . GLN C 15 ? 0.9099 1.6415 0.7805 0.2697  -0.0889 -0.3880 15 GLN C OE1 
516 N NE2 . GLN C 15 ? 0.9166 1.6985 0.8440 0.2390  -0.0692 -0.3651 15 GLN C NE2 
517 N N   . LEU C 16 ? 0.8190 1.3590 0.7831 0.1238  -0.1175 -0.4127 16 LEU C N   
518 C CA  . LEU C 16 ? 0.8002 1.2493 0.7491 0.1010  -0.1154 -0.4075 16 LEU C CA  
519 C C   . LEU C 16 ? 0.7971 1.2485 0.7844 0.0707  -0.1148 -0.4108 16 LEU C C   
520 O O   . LEU C 16 ? 0.7978 1.1955 0.7878 0.0471  -0.1088 -0.4061 16 LEU C O   
521 C CB  . LEU C 16 ? 0.7849 1.1711 0.6792 0.1199  -0.1177 -0.4027 16 LEU C CB  
522 C CG  . LEU C 16 ? 0.7109 1.0392 0.5516 0.1350  -0.1167 -0.3949 16 LEU C CG  
523 C CD1 . LEU C 16 ? 0.7887 1.1674 0.6144 0.1729  -0.1198 -0.3945 16 LEU C CD1 
524 C CD2 . LEU C 16 ? 0.7588 1.0043 0.5468 0.1352  -0.1150 -0.3894 16 LEU C CD2 
525 N N   . GLU C 17 ? 0.8189 1.3317 0.8345 0.0715  -0.1219 -0.4181 17 GLU C N   
526 C CA  . GLU C 17 ? 0.7397 1.2429 0.7844 0.0426  -0.1244 -0.4191 17 GLU C CA  
527 C C   . GLU C 17 ? 0.6343 1.1463 0.7175 0.0125  -0.1176 -0.4147 17 GLU C C   
528 O O   . GLU C 17 ? 0.6327 1.1026 0.7245 -0.0105 -0.1151 -0.4109 17 GLU C O   
529 C CB  . GLU C 17 ? 0.6532 1.2240 0.7246 0.0468  -0.1388 -0.4263 17 GLU C CB  
530 C CG  . GLU C 17 ? 0.6796 1.2196 0.7656 0.0211  -0.1465 -0.4254 17 GLU C CG  
531 C CD  . GLU C 17 ? 0.6205 1.2274 0.7393 0.0222  -0.1657 -0.4297 17 GLU C CD  
532 O OE1 . GLU C 17 ? 0.8768 1.5691 1.0178 0.0416  -0.1703 -0.4315 17 GLU C OE1 
533 O OE2 . GLU C 17 ? 0.6224 1.1977 0.7451 0.0046  -0.1772 -0.4291 17 GLU C OE2 
534 N N   . ASN C 18 ? 0.6514 1.2134 0.7516 0.0152  -0.1148 -0.4141 18 ASN C N   
535 C CA  . ASN C 18 ? 0.6660 1.2314 0.7978 -0.0103 -0.1093 -0.4083 18 ASN C CA  
536 C C   . ASN C 18 ? 0.7022 1.1911 0.8177 -0.0185 -0.1015 -0.4047 18 ASN C C   
537 O O   . ASN C 18 ? 0.7167 1.1937 0.8564 -0.0397 -0.0972 -0.4003 18 ASN C O   
538 C CB  . ASN C 18 ? 0.5876 1.2179 0.7298 -0.0005 -0.1096 -0.4076 18 ASN C CB  
539 C CG  . ASN C 18 ? 0.7890 1.5079 0.9657 0.0039  -0.1108 -0.3982 18 ASN C CG  
540 O OD1 . ASN C 18 ? 0.7186 1.4611 0.9099 0.0021  -0.1194 -0.4023 18 ASN C OD1 
541 N ND2 . ASN C 18 ? 0.8383 1.5976 1.0290 0.0123  -0.0973 -0.3772 18 ASN C ND2 
542 N N   . TYR C 19 ? 0.8647 1.3038 0.9415 -0.0030 -0.1000 -0.4046 19 TYR C N   
543 C CA  . TYR C 19 ? 0.8884 1.2658 0.9562 -0.0134 -0.0934 -0.4003 19 TYR C CA  
544 C C   . TYR C 19 ? 0.6560 0.9806 0.7118 -0.0247 -0.0879 -0.3979 19 TYR C C   
545 O O   . TYR C 19 ? 0.5542 0.8363 0.6080 -0.0354 -0.0800 -0.3955 19 TYR C O   
546 C CB  . TYR C 19 ? 0.7645 1.1109 0.7951 0.0031  -0.0960 -0.3992 19 TYR C CB  
547 C CG  . TYR C 19 ? 0.7336 1.1187 0.7623 0.0186  -0.1027 -0.4013 19 TYR C CG  
548 C CD1 . TYR C 19 ? 0.9821 1.3755 1.0321 0.0099  -0.1046 -0.4018 19 TYR C CD1 
549 C CD2 . TYR C 19 ? 0.6475 1.0591 0.6481 0.0460  -0.1075 -0.4027 19 TYR C CD2 
550 C CE1 . TYR C 19 ? 0.9543 1.3755 0.9919 0.0271  -0.1123 -0.4035 19 TYR C CE1 
551 C CE2 . TYR C 19 ? 0.7806 1.2227 0.7687 0.0649  -0.1121 -0.4035 19 TYR C CE2 
552 C CZ  . TYR C 19 ? 0.8755 1.3193 0.8793 0.0549  -0.1150 -0.4039 19 TYR C CZ  
553 O OH  . TYR C 19 ? 1.0533 1.5195 1.0340 0.0770  -0.1207 -0.4041 19 TYR C OH  
554 N N   . CYS C 20 ? 0.6851 1.0135 0.7319 -0.0213 -0.0929 -0.3997 20 CYS C N   
555 C CA  . CYS C 20 ? 0.8039 1.0752 0.8279 -0.0288 -0.0896 -0.3974 20 CYS C CA  
556 C C   . CYS C 20 ? 0.7796 1.0436 0.8312 -0.0505 -0.0847 -0.3961 20 CYS C C   
557 O O   . CYS C 20 ? 0.7706 1.0781 0.8596 -0.0611 -0.0872 -0.3962 20 CYS C O   
558 C CB  . CYS C 20 ? 0.7995 1.0755 0.8028 -0.0167 -0.1012 -0.4012 20 CYS C CB  
559 S SG  . CYS C 20 ? 0.6277 0.9115 0.5933 0.0149  -0.1077 -0.4032 20 CYS C SG  
560 N N   . ASN C 21 ? 0.7468 0.9501 0.7734 -0.0563 -0.0768 -0.3939 21 ASN C N   
561 C CA  . ASN C 21 ? 0.8169 1.0018 0.8582 -0.0725 -0.0717 -0.3933 21 ASN C CA  
562 C C   . ASN C 21 ? 0.9545 1.1396 0.9906 -0.0780 -0.0857 -0.3946 21 ASN C C   
563 O O   . ASN C 21 ? 1.0887 1.2498 1.1272 -0.0910 -0.0854 -0.3940 21 ASN C O   
564 C CB  . ASN C 21 ? 0.8896 1.0102 0.9027 -0.0741 -0.0563 -0.3924 21 ASN C CB  
565 C CG  . ASN C 21 ? 0.8963 1.0263 0.9360 -0.0784 -0.0435 -0.3941 21 ASN C CG  
566 O OD1 . ASN C 21 ? 0.9189 1.0956 0.9990 -0.0825 -0.0464 -0.3954 21 ASN C OD1 
567 N ND2 . ASN C 21 ? 0.8241 0.9088 0.8407 -0.0779 -0.0300 -0.3951 21 ASN C ND2 
568 O OXT . ASN C 21 ? 0.9302 1.1392 0.9595 -0.0694 -0.0994 -0.3975 21 ASN C OXT 
569 N N   . PHE D 1  ? 1.4885 1.4644 1.2837 0.4191  -0.0685 -0.2201 1  PHE D N   
570 C CA  . PHE D 1  ? 1.3643 1.3336 1.1521 0.4111  -0.0590 -0.2098 1  PHE D CA  
571 C C   . PHE D 1  ? 1.3277 1.2872 1.1423 0.3873  -0.0324 -0.2009 1  PHE D C   
572 O O   . PHE D 1  ? 1.3345 1.2830 1.1530 0.3792  -0.0228 -0.1923 1  PHE D O   
573 C CB  . PHE D 1  ? 1.4012 1.3493 1.1322 0.4223  -0.0675 -0.1866 1  PHE D CB  
574 C CG  . PHE D 1  ? 1.3975 1.3389 1.1181 0.4161  -0.0591 -0.1755 1  PHE D CG  
575 C CD1 . PHE D 1  ? 1.4261 1.3856 1.1611 0.4204  -0.0642 -0.1915 1  PHE D CD1 
576 C CD2 . PHE D 1  ? 1.3900 1.3076 1.0864 0.4064  -0.0467 -0.1498 1  PHE D CD2 
577 C CE1 . PHE D 1  ? 1.4371 1.3899 1.1625 0.4151  -0.0560 -0.1814 1  PHE D CE1 
578 C CE2 . PHE D 1  ? 1.4009 1.3127 1.0882 0.4012  -0.0390 -0.1394 1  PHE D CE2 
579 C CZ  . PHE D 1  ? 1.4081 1.3370 1.1098 0.4055  -0.0432 -0.1549 1  PHE D CZ  
580 N N   . VAL D 2  ? 1.2770 1.2403 1.1086 0.3772  -0.0208 -0.2033 2  VAL D N   
581 C CA  . VAL D 2  ? 1.1988 1.1556 1.0611 0.3557  0.0053  -0.1991 2  VAL D CA  
582 C C   . VAL D 2  ? 1.1282 1.0626 0.9610 0.3475  0.0141  -0.1721 2  VAL D C   
583 O O   . VAL D 2  ? 1.0944 1.0178 0.9331 0.3359  0.0273  -0.1616 2  VAL D O   
584 C CB  . VAL D 2  ? 1.0516 1.0227 0.9497 0.3485  0.0154  -0.2167 2  VAL D CB  
585 C CG1 . VAL D 2  ? 0.9407 0.9028 0.8711 0.3273  0.0447  -0.2127 2  VAL D CG1 
586 C CG2 . VAL D 2  ? 0.9399 0.9352 0.8653 0.3583  0.0034  -0.2444 2  VAL D CG2 
587 N N   . ASN D 3  ? 1.2612 1.1892 1.0615 0.3541  0.0066  -0.1606 3  ASN D N   
588 C CA  . ASN D 3  ? 1.2761 1.1842 1.0504 0.3461  0.0156  -0.1354 3  ASN D CA  
589 C C   . ASN D 3  ? 1.2479 1.1382 0.9898 0.3495  0.0109  -0.1171 3  ASN D C   
590 O O   . ASN D 3  ? 1.2466 1.1221 0.9787 0.3390  0.0217  -0.0993 3  ASN D O   
591 C CB  . ASN D 3  ? 1.2825 1.1871 1.0288 0.3538  0.0092  -0.1273 3  ASN D CB  
592 C CG  . ASN D 3  ? 1.2658 1.1509 0.9883 0.3450  0.0197  -0.1018 3  ASN D CG  
593 O OD1 . ASN D 3  ? 1.2798 1.1474 0.9637 0.3508  0.0147  -0.0823 3  ASN D OD1 
594 N ND2 . ASN D 3  ? 1.2371 1.1246 0.9829 0.3311  0.0351  -0.1023 3  ASN D ND2 
595 N N   . GLN D 4  ? 1.1886 1.0798 0.9128 0.3646  -0.0052 -0.1216 4  GLN D N   
596 C CA  . GLN D 4  ? 1.2513 1.1253 0.9484 0.3673  -0.0082 -0.1070 4  GLN D CA  
597 C C   . GLN D 4  ? 1.2042 1.0781 0.9298 0.3535  0.0048  -0.1090 4  GLN D C   
598 O O   . GLN D 4  ? 1.2076 1.0649 0.9154 0.3479  0.0102  -0.0924 4  GLN D O   
599 C CB  . GLN D 4  ? 1.3906 1.2669 1.0672 0.3865  -0.0272 -0.1145 4  GLN D CB  
600 C CG  . GLN D 4  ? 1.3280 1.1881 0.9835 0.3892  -0.0295 -0.1043 4  GLN D CG  
601 C CD  . GLN D 4  ? 1.4517 1.3163 1.0933 0.4079  -0.0473 -0.1150 4  GLN D CD  
602 O OE1 . GLN D 4  ? 1.4847 1.3443 1.0922 0.4237  -0.0594 -0.1117 4  GLN D OE1 
603 N NE2 . GLN D 4  ? 1.5652 1.4387 1.2320 0.4071  -0.0483 -0.1278 4  GLN D NE2 
604 N N   . HIS D 5  ? 1.1491 1.0410 0.9188 0.3484  0.0106  -0.1297 5  HIS D N   
605 C CA  . HIS D 5  ? 0.9473 0.8388 0.7457 0.3357  0.0255  -0.1321 5  HIS D CA  
606 C C   . HIS D 5  ? 0.9063 0.7875 0.7062 0.3204  0.0422  -0.1175 5  HIS D C   
607 O O   . HIS D 5  ? 0.9130 0.7840 0.7094 0.3137  0.0497  -0.1074 5  HIS D O   
608 C CB  . HIS D 5  ? 0.9256 0.8369 0.7722 0.3329  0.0320  -0.1570 5  HIS D CB  
609 C CG  . HIS D 5  ? 0.8505 0.7605 0.7285 0.3205  0.0503  -0.1603 5  HIS D CG  
610 N ND1 . HIS D 5  ? 0.7313 0.6381 0.6310 0.3048  0.0708  -0.1568 5  HIS D ND1 
611 C CD2 . HIS D 5  ? 0.7923 0.7036 0.6830 0.3224  0.0514  -0.1667 5  HIS D CD2 
612 C CE1 . HIS D 5  ? 0.6965 0.6025 0.6201 0.2980  0.0839  -0.1609 5  HIS D CE1 
613 N NE2 . HIS D 5  ? 0.8799 0.7882 0.7987 0.3082  0.0730  -0.1667 5  HIS D NE2 
614 N N   . LEU D 6  ? 0.9967 0.8810 0.8009 0.3157  0.0475  -0.1164 6  LEU D N   
615 C CA  . LEU D 6  ? 0.9291 0.8047 0.7340 0.3024  0.0623  -0.1027 6  LEU D CA  
616 C C   . LEU D 6  ? 0.8882 0.7435 0.6489 0.3040  0.0582  -0.0772 6  LEU D C   
617 O O   . LEU D 6  ? 0.8982 0.7443 0.6564 0.2950  0.0682  -0.0652 6  LEU D O   
618 C CB  . LEU D 6  ? 0.8882 0.7708 0.7046 0.2986  0.0675  -0.1072 6  LEU D CB  
619 C CG  . LEU D 6  ? 0.8967 0.7982 0.7583 0.2963  0.0736  -0.1336 6  LEU D CG  
620 C CD1 . LEU D 6  ? 0.9010 0.8072 0.7703 0.2928  0.0788  -0.1371 6  LEU D CD1 
621 C CD2 . LEU D 6  ? 0.7462 0.6517 0.6489 0.2842  0.0916  -0.1440 6  LEU D CD2 
622 N N   . CYS D 7  ? 0.8578 0.7053 0.5828 0.3158  0.0444  -0.0687 7  CYS D N   
623 C CA  . CYS D 7  ? 0.9336 0.7606 0.6187 0.3167  0.0428  -0.0458 7  CYS D CA  
624 C C   . CYS D 7  ? 0.9644 0.7834 0.6451 0.3156  0.0429  -0.0427 7  CYS D C   
625 O O   . CYS D 7  ? 0.9194 0.7250 0.5846 0.3092  0.0492  -0.0272 7  CYS D O   
626 C CB  . CYS D 7  ? 1.0604 0.8797 0.7096 0.3304  0.0301  -0.0393 7  CYS D CB  
627 S SG  . CYS D 7  ? 0.9843 0.7774 0.5869 0.3319  0.0300  -0.0150 7  CYS D SG  
628 N N   . GLY D 8  ? 1.3397 1.1671 1.0338 0.3223  0.0358  -0.0579 8  GLY D N   
629 C CA  . GLY D 8  ? 1.3354 1.1560 1.0277 0.3218  0.0361  -0.0566 8  GLY D CA  
630 C C   . GLY D 8  ? 1.2900 1.1121 1.0056 0.3091  0.0509  -0.0560 8  GLY D C   
631 O O   . GLY D 8  ? 1.2928 1.1036 0.9958 0.3067  0.0534  -0.0469 8  GLY D O   
632 N N   . SER D 9  ? 0.8376 0.6730 0.5868 0.3014  0.0613  -0.0663 9  SER D N   
633 C CA  . SER D 9  ? 0.7570 0.5928 0.5268 0.2902  0.0767  -0.0653 9  SER D CA  
634 C C   . SER D 9  ? 0.7057 0.5256 0.4473 0.2848  0.0817  -0.0427 9  SER D C   
635 O O   . SER D 9  ? 0.7041 0.5162 0.4410 0.2811  0.0880  -0.0353 9  SER D O   
636 C CB  . SER D 9  ? 0.7370 0.5887 0.5479 0.2829  0.0882  -0.0810 9  SER D CB  
637 O OG  . SER D 9  ? 0.6474 0.5142 0.4872 0.2877  0.0848  -0.1032 9  SER D OG  
638 N N   . HIS D 10 ? 0.7537 0.5685 0.4760 0.2849  0.0793  -0.0317 10 HIS D N   
639 C CA  . HIS D 10 ? 0.8019 0.6014 0.4967 0.2807  0.0834  -0.0103 10 HIS D CA  
640 C C   . HIS D 10 ? 0.8020 0.5871 0.4637 0.2865  0.0747  0.0001  10 HIS D C   
641 O O   . HIS D 10 ? 0.7769 0.5501 0.4210 0.2827  0.0788  0.0140  10 HIS D O   
642 C CB  . HIS D 10 ? 0.7690 0.5678 0.4563 0.2789  0.0852  -0.0025 10 HIS D CB  
643 C CG  . HIS D 10 ? 0.6329 0.4449 0.3526 0.2727  0.0945  -0.0134 10 HIS D CG  
644 N ND1 . HIS D 10 ? 0.7347 0.5443 0.4643 0.2636  0.1081  -0.0066 10 HIS D ND1 
645 C CD2 . HIS D 10 ? 0.6654 0.4926 0.4099 0.2746  0.0928  -0.0315 10 HIS D CD2 
646 C CE1 . HIS D 10 ? 0.6751 0.4974 0.4351 0.2595  0.1150  -0.0203 10 HIS D CE1 
647 N NE2 . HIS D 10 ? 0.6413 0.4753 0.4126 0.2655  0.1060  -0.0367 10 HIS D NE2 
648 N N   . LEU D 11 ? 0.8328 0.6185 0.4860 0.2959  0.0629  -0.0072 11 LEU D N   
649 C CA  . LEU D 11 ? 0.8627 0.6335 0.4851 0.3015  0.0557  0.0011  11 LEU D CA  
650 C C   . LEU D 11 ? 0.8636 0.6295 0.4881 0.2995  0.0577  0.0003  11 LEU D C   
651 O O   . LEU D 11 ? 0.9197 0.6722 0.5231 0.2977  0.0587  0.0111  11 LEU D O   
652 C CB  . LEU D 11 ? 0.9491 0.7212 0.5616 0.3134  0.0432  -0.0071 11 LEU D CB  
653 C CG  . LEU D 11 ? 0.9793 0.7343 0.5542 0.3197  0.0377  0.0039  11 LEU D CG  
654 C CD1 . LEU D 11 ? 1.0478 0.7949 0.6063 0.3140  0.0452  0.0191  11 LEU D CD1 
655 C CD2 . LEU D 11 ? 1.1209 0.8785 0.6861 0.3332  0.0261  -0.0045 11 LEU D CD2 
656 N N   . VAL D 12 ? 0.8451 0.6222 0.4964 0.3000  0.0589  -0.0138 12 VAL D N   
657 C CA  . VAL D 12 ? 0.7766 0.5492 0.4303 0.2990  0.0615  -0.0150 12 VAL D CA  
658 C C   . VAL D 12 ? 0.8135 0.5810 0.4655 0.2906  0.0728  -0.0039 12 VAL D C   
659 O O   . VAL D 12 ? 0.8376 0.5951 0.4759 0.2906  0.0733  0.0018  12 VAL D O   
660 C CB  . VAL D 12 ? 0.7249 0.5112 0.4097 0.3016  0.0621  -0.0332 12 VAL D CB  
661 C CG1 . VAL D 12 ? 0.7223 0.5122 0.4044 0.3121  0.0491  -0.0434 12 VAL D CG1 
662 C CG2 . VAL D 12 ? 0.7931 0.5942 0.5113 0.2947  0.0730  -0.0419 12 VAL D CG2 
663 N N   . GLU D 13 ? 0.7489 0.5227 0.4142 0.2842  0.0817  -0.0012 13 GLU D N   
664 C CA  . GLU D 13 ? 0.7014 0.4688 0.3611 0.2776  0.0921  0.0114  13 GLU D CA  
665 C C   . GLU D 13 ? 0.7324 0.4862 0.3608 0.2775  0.0886  0.0269  13 GLU D C   
666 O O   . GLU D 13 ? 0.7864 0.5319 0.4031 0.2761  0.0919  0.0350  13 GLU D O   
667 C CB  . GLU D 13 ? 0.7496 0.5254 0.4292 0.2714  0.1022  0.0111  13 GLU D CB  
668 C CG  . GLU D 13 ? 0.8246 0.6047 0.5265 0.2670  0.1152  0.0068  13 GLU D CG  
669 C CD  . GLU D 13 ? 0.7451 0.5125 0.4280 0.2654  0.1218  0.0225  13 GLU D CD  
670 O OE1 . GLU D 13 ? 0.7938 0.5514 0.4510 0.2659  0.1173  0.0359  13 GLU D OE1 
671 O OE2 . GLU D 13 ? 0.7540 0.5213 0.4480 0.2643  0.1319  0.0208  13 GLU D OE2 
672 N N   . ALA D 14 ? 0.7500 0.5014 0.3652 0.2795  0.0826  0.0303  14 ALA D N   
673 C CA  . ALA D 14 ? 0.6882 0.4272 0.2766 0.2788  0.0811  0.0430  14 ALA D CA  
674 C C   . ALA D 14 ? 0.8915 0.6208 0.4648 0.2827  0.0748  0.0407  14 ALA D C   
675 O O   . ALA D 14 ? 1.0429 0.7637 0.6032 0.2802  0.0767  0.0475  14 ALA D O   
676 C CB  . ALA D 14 ? 0.9614 0.6995 0.5390 0.2808  0.0778  0.0463  14 ALA D CB  
677 N N   . LEU D 15 ? 0.8385 0.5693 0.4151 0.2892  0.0671  0.0298  15 LEU D N   
678 C CA  . LEU D 15 ? 0.8423 0.5627 0.4057 0.2933  0.0611  0.0267  15 LEU D CA  
679 C C   . LEU D 15 ? 0.8659 0.5849 0.4345 0.2914  0.0647  0.0260  15 LEU D C   
680 O O   . LEU D 15 ? 0.9619 0.6703 0.5165 0.2918  0.0627  0.0280  15 LEU D O   
681 C CB  . LEU D 15 ? 0.8899 0.6128 0.4573 0.3016  0.0523  0.0152  15 LEU D CB  
682 C CG  . LEU D 15 ? 0.9401 0.6537 0.4868 0.3077  0.0455  0.0164  15 LEU D CG  
683 C CD1 . LEU D 15 ? 0.9721 0.6688 0.4980 0.3063  0.0461  0.0218  15 LEU D CD1 
684 C CD2 . LEU D 15 ? 0.9554 0.6733 0.4981 0.3068  0.0477  0.0220  15 LEU D CD2 
685 N N   . TYR D 16 ? 0.9057 0.6348 0.4948 0.2896  0.0708  0.0221  16 TYR D N   
686 C CA  . TYR D 16 ? 0.8724 0.5995 0.4642 0.2891  0.0757  0.0224  16 TYR D CA  
687 C C   . TYR D 16 ? 0.8991 0.6187 0.4756 0.2855  0.0798  0.0345  16 TYR D C   
688 O O   . TYR D 16 ? 0.9283 0.6405 0.4943 0.2876  0.0783  0.0351  16 TYR D O   
689 C CB  . TYR D 16 ? 0.8351 0.5738 0.4525 0.2874  0.0846  0.0164  16 TYR D CB  
690 C CG  . TYR D 16 ? 0.8366 0.5722 0.4544 0.2870  0.0929  0.0196  16 TYR D CG  
691 C CD1 . TYR D 16 ? 0.8203 0.5524 0.4368 0.2921  0.0910  0.0131  16 TYR D CD1 
692 C CD2 . TYR D 16 ? 0.8337 0.5688 0.4517 0.2826  0.1031  0.0297  16 TYR D CD2 
693 C CE1 . TYR D 16 ? 0.8463 0.5747 0.4602 0.2934  0.0989  0.0165  16 TYR D CE1 
694 C CE2 . TYR D 16 ? 0.6869 0.4176 0.3019 0.2843  0.1109  0.0338  16 TYR D CE2 
695 C CZ  . TYR D 16 ? 0.7874 0.5148 0.3997 0.2899  0.1088  0.0271  16 TYR D CZ  
696 O OH  . TYR D 16 ? 0.8263 0.5485 0.4328 0.2931  0.1168  0.0315  16 TYR D OH  
697 N N   . LEU D 17 ? 0.8559 0.5778 0.4317 0.2806  0.0847  0.0434  17 LEU D N   
698 C CA  . LEU D 17 ? 0.9006 0.6172 0.4645 0.2774  0.0884  0.0542  17 LEU D CA  
699 C C   . LEU D 17 ? 0.9572 0.6704 0.5177 0.2737  0.0812  0.0503  17 LEU D C   
700 O O   . LEU D 17 ? 0.9695 0.6798 0.5278 0.2725  0.0802  0.0498  17 LEU D O   
701 C CB  . LEU D 17 ? 0.9041 0.6306 0.4853 0.2683  0.0947  0.0591  17 LEU D CB  
702 C CG  A LEU D 17 ? 0.8561 0.5834 0.4421 0.2704  0.1052  0.0647  17 LEU D CG  
703 C CG  B LEU D 17 ? 0.8885 0.6213 0.4832 0.2591  0.0992  0.0633  17 LEU D CG  
704 C CD1 A LEU D 17 ? 0.8202 0.5556 0.4221 0.2617  0.1100  0.0687  17 LEU D CD1 
705 C CD1 B LEU D 17 ? 0.7908 0.5199 0.3824 0.2640  0.1060  0.0670  17 LEU D CD1 
706 C CD2 A LEU D 17 ? 0.8552 0.5792 0.4400 0.2715  0.1105  0.0680  17 LEU D CD2 
707 C CD2 B LEU D 17 ? 0.9053 0.6471 0.5160 0.2505  0.1034  0.0670  17 LEU D CD2 
708 N N   . VAL D 18 ? 1.1168 0.8285 0.6745 0.2734  0.0767  0.0475  18 VAL D N   
709 C CA  . VAL D 18 ? 1.1394 0.8451 0.6931 0.2701  0.0731  0.0452  18 VAL D CA  
710 C C   . VAL D 18 ? 1.1469 0.8386 0.6823 0.2784  0.0671  0.0404  18 VAL D C   
711 O O   . VAL D 18 ? 1.1800 0.8653 0.7113 0.2770  0.0659  0.0393  18 VAL D O   
712 C CB  . VAL D 18 ? 1.0864 0.7916 0.6390 0.2696  0.0715  0.0443  18 VAL D CB  
713 C CG1 . VAL D 18 ? 1.1428 0.8360 0.6853 0.2695  0.0696  0.0422  18 VAL D CG1 
714 C CG2 . VAL D 18 ? 0.9811 0.6993 0.5513 0.2609  0.0769  0.0488  18 VAL D CG2 
715 N N   . CYS D 19 ? 1.2391 0.9261 0.7653 0.2876  0.0626  0.0362  19 CYS D N   
716 C CA  . CYS D 19 ? 1.3487 1.0264 0.8710 0.2921  0.0561  0.0279  19 CYS D CA  
717 C C   . CYS D 19 ? 1.4096 1.0877 0.9333 0.2930  0.0574  0.0273  19 CYS D C   
718 O O   . CYS D 19 ? 1.3781 1.0479 0.8947 0.2934  0.0544  0.0254  19 CYS D O   
719 C CB  . CYS D 19 ? 1.3292 1.0086 0.8574 0.2980  0.0510  0.0197  19 CYS D CB  
720 S SG  . CYS D 19 ? 1.2318 0.9108 0.7555 0.3005  0.0479  0.0196  19 CYS D SG  
721 N N   . GLY D 20 ? 1.8672 1.4182 1.6809 0.3810  0.0568  -0.2941 20 GLY D N   
722 C CA  . GLY D 20 ? 1.9056 1.4534 1.6897 0.3965  0.0434  -0.2988 20 GLY D CA  
723 C C   . GLY D 20 ? 1.9541 1.4979 1.7221 0.4002  0.0489  -0.3000 20 GLY D C   
724 O O   . GLY D 20 ? 1.9472 1.4894 1.7105 0.3983  0.0585  -0.2886 20 GLY D O   
725 N N   . GLU D 21 ? 1.6548 1.1987 1.4159 0.4064  0.0416  -0.3159 21 GLU D N   
726 C CA  . GLU D 21 ? 1.4222 0.9642 1.1669 0.4122  0.0452  -0.3208 21 GLU D CA  
727 C C   . GLU D 21 ? 1.3148 0.8557 1.0850 0.3996  0.0591  -0.3204 21 GLU D C   
728 O O   . GLU D 21 ? 1.2700 0.8110 1.0302 0.4038  0.0643  -0.3211 21 GLU D O   
729 C CB  . GLU D 21 ? 1.3628 0.9053 1.0953 0.4226  0.0314  -0.3402 21 GLU D CB  
730 C CG  . GLU D 21 ? 1.3297 0.8691 1.0303 0.4393  0.0130  -0.3426 21 GLU D CG  
731 C CD  . GLU D 21 ? 1.3191 0.8604 1.0101 0.4503  -0.0041 -0.3642 21 GLU D CD  
732 O OE1 . GLU D 21 ? 1.3181 0.8638 1.0317 0.4431  -0.0007 -0.3775 21 GLU D OE1 
733 O OE2 . GLU D 21 ? 1.3491 0.8848 1.0084 0.4675  -0.0230 -0.3684 21 GLU D OE2 
734 N N   . ARG D 22 ? 1.2672 0.8050 1.0673 0.3859  0.0648  -0.3206 22 ARG D N   
735 C CA  . ARG D 22 ? 1.2694 0.7982 1.0878 0.3763  0.0752  -0.3203 22 ARG D CA  
736 C C   . ARG D 22 ? 1.2471 0.7775 1.0636 0.3751  0.0823  -0.3045 22 ARG D C   
737 O O   . ARG D 22 ? 1.1813 0.7070 1.0008 0.3756  0.0862  -0.3057 22 ARG D O   
738 C CB  . ARG D 22 ? 1.2008 0.7207 1.0435 0.3639  0.0805  -0.3246 22 ARG D CB  
739 C CG  . ARG D 22 ? 1.2606 0.7704 1.1119 0.3624  0.0778  -0.3440 22 ARG D CG  
740 C CD  . ARG D 22 ? 1.2097 0.7061 1.0812 0.3503  0.0867  -0.3494 22 ARG D CD  
741 N NE  . ARG D 22 ? 1.4358 0.9454 1.3139 0.3496  0.0848  -0.3533 22 ARG D NE  
742 C CZ  . ARG D 22 ? 1.3876 0.8903 1.2808 0.3413  0.0927  -0.3625 22 ARG D CZ  
743 N NH1 . ARG D 22 ? 1.3406 0.8177 1.2404 0.3324  0.1035  -0.3678 22 ARG D NH1 
744 N NH2 . ARG D 22 ? 1.2125 0.7324 1.1127 0.3432  0.0889  -0.3679 22 ARG D NH2 
745 N N   . GLY D 23 ? 1.2353 0.7717 1.0479 0.3747  0.0825  -0.2912 23 GLY D N   
746 C CA  . GLY D 23 ? 1.1429 0.6809 0.9570 0.3731  0.0881  -0.2774 23 GLY D CA  
747 C C   . GLY D 23 ? 1.1278 0.6582 0.9631 0.3619  0.0927  -0.2726 23 GLY D C   
748 O O   . GLY D 23 ? 1.1315 0.6533 0.9789 0.3551  0.0941  -0.2801 23 GLY D O   
749 N N   . PHE D 24 ? 1.1158 0.6473 0.9531 0.3613  0.0952  -0.2610 24 PHE D N   
750 C CA  . PHE D 24 ? 1.1146 0.6366 0.9643 0.3535  0.0972  -0.2552 24 PHE D CA  
751 C C   . PHE D 24 ? 1.1029 0.6246 0.9535 0.3563  0.0977  -0.2466 24 PHE D C   
752 O O   . PHE D 24 ? 1.1017 0.6344 0.9464 0.3630  0.0986  -0.2444 24 PHE D O   
753 C CB  . PHE D 24 ? 1.1147 0.6410 0.9674 0.3487  0.0969  -0.2499 24 PHE D CB  
754 C CG  . PHE D 24 ? 1.0794 0.6175 0.9248 0.3531  0.0939  -0.2398 24 PHE D CG  
755 C CD1 . PHE D 24 ? 1.0855 0.6295 0.9187 0.3597  0.0897  -0.2421 24 PHE D CD1 
756 C CD2 . PHE D 24 ? 1.1283 0.6672 0.9762 0.3522  0.0940  -0.2287 24 PHE D CD2 
757 C CE1 . PHE D 24 ? 1.0825 0.6293 0.9047 0.3652  0.0862  -0.2326 24 PHE D CE1 
758 C CE2 . PHE D 24 ? 1.0604 0.6058 0.9024 0.3564  0.0914  -0.2205 24 PHE D CE2 
759 C CZ  . PHE D 24 ? 1.0693 0.6168 0.8976 0.3629  0.0878  -0.2220 24 PHE D CZ  
760 N N   . PHE D 25 ? 1.2976 0.8044 1.1535 0.3525  0.0972  -0.2432 25 PHE D N   
761 C CA  . PHE D 25 ? 1.2954 0.7997 1.1533 0.3555  0.0954  -0.2351 25 PHE D CA  
762 C C   . PHE D 25 ? 1.2830 0.7858 1.1390 0.3514  0.0942  -0.2248 25 PHE D C   
763 O O   . PHE D 25 ? 1.2903 0.7792 1.1419 0.3466  0.0948  -0.2251 25 PHE D O   
764 C CB  . PHE D 25 ? 1.3214 0.8034 1.1805 0.3575  0.0925  -0.2390 25 PHE D CB  
765 C CG  . PHE D 25 ? 1.4236 0.9109 1.2875 0.3650  0.0926  -0.2482 25 PHE D CG  
766 C CD1 . PHE D 25 ? 1.3706 0.8610 1.2330 0.3662  0.0945  -0.2599 25 PHE D CD1 
767 C CD2 . PHE D 25 ? 1.3822 0.8718 1.2524 0.3720  0.0906  -0.2473 25 PHE D CD2 
768 C CE1 . PHE D 25 ? 1.3547 0.8505 1.2191 0.3746  0.0951  -0.2702 25 PHE D CE1 
769 C CE2 . PHE D 25 ? 1.3500 0.8464 1.2256 0.3802  0.0919  -0.2585 25 PHE D CE2 
770 C CZ  . PHE D 25 ? 1.3585 0.8581 1.2298 0.3816  0.0944  -0.2699 25 PHE D CZ  
771 N N   . TYR D 26 ? 1.2255 0.7415 1.0840 0.3541  0.0933  -0.2173 26 TYR D N   
772 C CA  . TYR D 26 ? 1.1535 0.6692 1.0111 0.3516  0.0911  -0.2086 26 TYR D CA  
773 C C   . TYR D 26 ? 1.0738 0.5801 0.9325 0.3554  0.0871  -0.2037 26 TYR D C   
774 O O   . TYR D 26 ? 1.0716 0.5869 0.9394 0.3607  0.0867  -0.2043 26 TYR D O   
775 C CB  . TYR D 26 ? 1.0499 0.5823 0.9099 0.3525  0.0910  -0.2043 26 TYR D CB  
776 C CG  . TYR D 26 ? 1.0403 0.5730 0.9019 0.3508  0.0878  -0.1971 26 TYR D CG  
777 C CD1 . TYR D 26 ? 1.0385 0.5687 0.8965 0.3466  0.0877  -0.1981 26 TYR D CD1 
778 C CD2 . TYR D 26 ? 1.0355 0.5720 0.9037 0.3543  0.0852  -0.1917 26 TYR D CD2 
779 C CE1 . TYR D 26 ? 1.0750 0.6060 0.9332 0.3464  0.0847  -0.1935 26 TYR D CE1 
780 C CE2 . TYR D 26 ? 1.0290 0.5653 0.8990 0.3535  0.0811  -0.1865 26 TYR D CE2 
781 C CZ  . TYR D 26 ? 1.0281 0.5615 0.8916 0.3498  0.0806  -0.1872 26 TYR D CZ  
782 O OH  . TYR D 26 ? 1.0247 0.5584 0.8886 0.3503  0.0766  -0.1841 26 TYR D OH  
783 N N   . THR D 27 ? 1.0876 0.5739 0.9347 0.3541  0.0844  -0.2001 27 THR D N   
784 C CA  . THR D 27 ? 1.1020 0.5737 0.9439 0.3596  0.0779  -0.1950 27 THR D CA  
785 C C   . THR D 27 ? 1.1790 0.6453 1.0088 0.3588  0.0759  -0.1883 27 THR D C   
786 O O   . THR D 27 ? 1.1574 0.6076 0.9691 0.3560  0.0791  -0.1884 27 THR D O   
787 C CB  . THR D 27 ? 1.1359 0.5764 0.9643 0.3627  0.0745  -0.1971 27 THR D CB  
788 O OG1 . THR D 27 ? 1.2015 0.6203 1.0109 0.3578  0.0786  -0.1976 27 THR D OG1 
789 C CG2 . THR D 27 ? 1.1377 0.5850 0.9803 0.3649  0.0757  -0.2060 27 THR D CG2 
790 N N   . PRO D 28 ? 1.1119 0.5901 0.9506 0.3620  0.0715  -0.1843 28 PRO D N   
791 C CA  . PRO D 28 ? 1.2129 0.6856 1.0393 0.3628  0.0683  -0.1796 28 PRO D CA  
792 C C   . PRO D 28 ? 1.4438 0.8861 1.2455 0.3702  0.0610  -0.1757 28 PRO D C   
793 O O   . PRO D 28 ? 1.4235 0.8494 1.2214 0.3749  0.0565  -0.1761 28 PRO D O   
794 C CB  . PRO D 28 ? 1.1889 0.6850 1.0376 0.3638  0.0658  -0.1783 28 PRO D CB  
795 C CG  . PRO D 28 ? 1.0631 0.5702 0.9309 0.3663  0.0673  -0.1818 28 PRO D CG  
796 C CD  . PRO D 28 ? 1.2238 0.7187 1.0838 0.3663  0.0698  -0.1858 28 PRO D CD  
797 N N   . LYS D 29 ? 1.8159 1.2482 1.5979 0.3728  0.0586  -0.1725 29 LYS D N   
798 C CA  . LYS D 29 ? 1.8896 1.2863 1.6367 0.3820  0.0508  -0.1678 29 LYS D CA  
799 C C   . LYS D 29 ? 1.8727 1.2718 1.6326 0.3902  0.0380  -0.1669 29 LYS D C   
800 O O   . LYS D 29 ? 1.9167 1.2839 1.6509 0.3995  0.0279  -0.1639 29 LYS D O   
801 C CB  . LYS D 29 ? 1.8776 1.2653 1.5983 0.3847  0.0521  -0.1667 29 LYS D CB  
802 C CG  . LYS D 29 ? 1.8512 1.2695 1.5966 0.3852  0.0468  -0.1685 29 LYS D CG  
803 C CD  . LYS D 29 ? 1.8883 1.2915 1.6177 0.3968  0.0328  -0.1660 29 LYS D CD  
804 C CE  . LYS D 29 ? 1.8843 1.3173 1.6445 0.3967  0.0270  -0.1690 29 LYS D CE  
805 N NZ  . LYS D 29 ? 1.9284 1.3483 1.6752 0.4089  0.0115  -0.1689 29 LYS D NZ  
806 O OXT . LYS D 29 ? 1.8358 1.2662 1.6308 0.3886  0.0373  -0.1699 29 LYS D OXT 
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