data_9LVE
# 
_entry.id   9LVE 
# 
_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   9LVE         pdb_00009lve 10.2210/pdb9lve/pdb 
WWPDB D_1300056549 ?            ?                   
# 
_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                        9LVE 
_pdbx_database_status.recvd_initial_deposition_date   2025-02-12 
_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 ? 
'Kepceoglu, A.' 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                     'Temperature induces a shift from the dihexamer to the hexamer form of insulin (300K)' 
_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 'Kepceoglu, A.' 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 ? ? ? ? 
# 
_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 
# 
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 
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 . 
# 
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 ? CG  ? A TYR 14 CG  
2  1 Y 0 A TYR 14 ? CD1 ? A TYR 14 CD1 
3  1 Y 0 A TYR 14 ? CD2 ? A TYR 14 CD2 
4  1 Y 0 A TYR 14 ? CE1 ? A TYR 14 CE1 
5  1 Y 0 A TYR 14 ? CE2 ? A TYR 14 CE2 
6  1 Y 0 A TYR 14 ? CZ  ? A TYR 14 CZ  
7  1 Y 0 A TYR 14 ? OH  ? A TYR 14 OH  
8  1 Y 0 B VAL 12 ? CG1 B B VAL 12 CG1 
9  1 Y 0 B VAL 12 ? CG2 B B VAL 12 CG2 
10 1 Y 0 B GLU 13 ? CD  ? B GLU 13 CD  
11 1 Y 0 B GLU 13 ? OE2 ? B GLU 13 OE2 
12 1 Y 0 B GLU 21 ? CA  ? B GLU 21 CA  
13 1 Y 0 B LYS 29 ? N   ? B LYS 29 N   
14 1 Y 0 B LYS 29 ? CA  ? B LYS 29 CA  
15 1 Y 0 B LYS 29 ? C   ? B LYS 29 C   
16 1 Y 0 B LYS 29 ? O   ? B LYS 29 O   
17 1 Y 0 B LYS 29 ? CB  ? B LYS 29 CB  
18 1 Y 0 B LYS 29 ? CG  ? B LYS 29 CG  
19 1 Y 0 B LYS 29 ? CD  ? B LYS 29 CD  
20 1 Y 0 B LYS 29 ? CE  ? B LYS 29 CE  
21 1 Y 0 B LYS 29 ? NZ  ? B LYS 29 NZ  
22 1 Y 0 C GLU 4  ? CG  ? C GLU 4  CG  
23 1 Y 0 C GLU 4  ? CD  ? C GLU 4  CD  
24 1 Y 0 C GLU 4  ? OE1 ? C GLU 4  OE1 
25 1 Y 0 C GLU 4  ? OE2 ? C GLU 4  OE2 
26 1 Y 0 D ASN 3  ? CG  ? D ASN 3  CG  
27 1 Y 0 D ASN 3  ? OD1 ? D ASN 3  OD1 
28 1 Y 0 D ASN 3  ? ND2 ? D ASN 3  ND2 
29 1 Y 0 D GLU 21 ? CB  ? D GLU 21 CB  
30 1 Y 0 D GLU 21 ? CG  ? D GLU 21 CG  
31 1 Y 0 D GLU 21 ? CD  ? D GLU 21 CD  
32 1 Y 0 D GLU 21 ? OE1 ? D GLU 21 OE1 
33 1 Y 0 D GLU 21 ? OE2 ? D GLU 21 OE2 
34 1 Y 0 D LYS 29 ? CB  ? D LYS 29 CB  
35 1 Y 0 D LYS 29 ? CG  ? D LYS 29 CG  
36 1 Y 0 D LYS 29 ? CD  ? D LYS 29 CD  
37 1 Y 0 D LYS 29 ? CE  ? D LYS 29 CE  
38 1 Y 0 D LYS 29 ? NZ  ? D LYS 29 NZ  
# 
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                     9LVE 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     78.316 
_cell.length_a_esd                 ? 
_cell.length_b                     78.316 
_cell.length_b_esd                 ? 
_cell.length_c                     39.637 
_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                         9LVE 
_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                   9LVE 
_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             2.05 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          39.89 
_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            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     300 
_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 150' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-09-17 
_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                                       9LVE 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.88 
_reflns.d_resolution_low                               17.11 
_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                                     1729 
_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                           83.79 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.4 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          3.6 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.947 
_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                                    2.881 
_reflns_shell.d_res_low                                     2.983 
_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                             171 
_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                                  0.99 
_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                                 9LVE 
_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                            2.88 
_refine.ls_d_res_low                             17.11 
_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                     1727 
_refine.ls_number_reflns_R_free                  173 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    84.16 
_refine.ls_percent_reflns_R_free                 10.02 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.3912 
_refine.ls_R_factor_R_free                       0.3881 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.3189 
_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                          0.04 
_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                 36.82 
_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                            0.36 
_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             0 
_refine_hist.number_atoms_total               844 
_refine_hist.d_res_high                       2.88 
_refine_hist.d_res_low                        17.11 
# 
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' ? 0.380  ? ?   ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 15.515 ? 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' 2.88 2.98  . . 15 156 86.00  . . . . 0.4383 . . . . . . . . . . . 0.6088 
'X-RAY DIFFRACTION' 2.98 3.10  . . 18 171 85.00  . . . . 0.3886 . . . . . . . . . . . 0.4387 
'X-RAY DIFFRACTION' 3.10 3.24  . . 18 152 84.00  . . . . 0.3944 . . . . . . . . . . . 0.4379 
'X-RAY DIFFRACTION' 3.24 3.41  . . 18 138 76.00  . . . . 0.4333 . . . . . . . . . . . 0.5429 
'X-RAY DIFFRACTION' 3.42 3.62  . . 11 121 63.00  . . . . 0.3368 . . . . . . . . . . . 0.3800 
'X-RAY DIFFRACTION' 3.63 3.90  . . 15 118 68.00  . . . . 0.3905 . . . . . . . . . . . 0.4559 
'X-RAY DIFFRACTION' 3.91 4.29  . . 18 156 83.00  . . . . 0.2966 . . . . . . . . . . . 0.3571 
'X-RAY DIFFRACTION' 4.29 4.90  . . 20 177 98.00  . . . . 0.2624 . . . . . . . . . . . 0.4223 
'X-RAY DIFFRACTION' 4.93 6.14  . . 17 183 99.00  . . . . 0.2779 . . . . . . . . . . . 0.3072 
'X-RAY DIFFRACTION' 6.17 17.11 . . 23 182 100.00 . . . . 0.2244 . . . . . . . . . . . 0.3154 
# 
_struct.entry_id                     9LVE 
_struct.title                        'Temperature induces a shift from the dihexamer to the hexamer form of insulin (300K)' 
_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        9LVE 
_struct_keywords.text            'insulin dihexamer, insulin hexamer, temperature jump scXRD, 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 ? 
# 
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 9LVE A 1 ? 21 ? P01308 90 ? 110 ? 1 21 
2 2 9LVE B 1 ? 29 ? P01308 25 ? 53  ? 1 29 
3 1 9LVE C 1 ? 21 ? P01308 90 ? 110 ? 1 21 
4 2 9LVE 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)' 26220 ? 
1 MORE         -942  ? 
1 'SSA (A^2)'  9700  ? 
# 
_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 
# 
_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 ? ? ? ? ? ? ? 2.034 ? ? 
disulf3 disulf ?    ? A CYS 20 SG  ? ? ? 1_555 B CYS 19 SG  ? ? A CYS 20  B CYS 19  1_555 ? ? ? ? ? ? ? 2.035 ? ? 
disulf4 disulf ?    ? C CYS 6  SG  ? ? ? 1_555 C CYS 11 SG  ? ? C CYS 6   C CYS 11  1_555 ? ? ? ? ? ? ? 2.032 ? ? 
disulf5 disulf ?    ? C CYS 7  SG  ? ? ? 1_555 D CYS 7  SG  ? ? C CYS 7   D CYS 7   1_555 ? ? ? ? ? ? ? 2.034 ? ? 
disulf6 disulf ?    ? C CYS 20 SG  ? ? ? 1_555 D CYS 19 SG  ? ? C CYS 20  D CYS 19  1_555 ? ? ? ? ? ? ? 2.028 ? ? 
covale1 covale one  ? B LYS 29 NZ  ? ? ? 1_555 H MYR .  C1  ? ? B LYS 29  B MYR 104 1_555 ? ? ? ? ? ? ? 1.429 ? ? 
covale2 covale none ? H MYR .  C14 ? ? ? 1_555 L MYR .  C13 ? ? B MYR 104 D MYR 104 1_554 ? ? ? ? ? ? ? 1.492 ? ? 
covale3 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 ? ? ? ? ? ? ? 2.299 ? ? 
metalc2 metalc ?    ? B HIS 10 NE2 ? ? ? 1_555 F ZN  .  ZN  ? ? B HIS 10  B ZN  102 2_555 ? ? ? ? ? ? ? 2.084 ? ? 
metalc3 metalc ?    ? D HIS 10 NE2 ? ? ? 1_555 J ZN  .  ZN  ? ? D HIS 10  D ZN  102 1_555 ? ? ? ? ? ? ? 2.296 ? ? 
metalc4 metalc ?    ? D HIS 10 NE2 ? ? ? 1_555 J ZN  .  ZN  ? ? D HIS 10  D ZN  102 3_555 ? ? ? ? ? ? ? 2.173 ? ? 
# 
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 CYS A 6  ? CYS A 11 ? CYS A 6   ? 1_555 CYS A 11 ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
4 CYS A 7  ? CYS B 7  ? CYS A 7   ? 1_555 CYS B 7  ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
5 CYS A 20 ? CYS B 19 ? CYS A 20  ? 1_555 CYS B 19 ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
6 CYS C 6  ? CYS C 11 ? CYS C 6   ? 1_555 CYS C 11 ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
7 CYS C 7  ? CYS D 7  ? CYS C 7   ? 1_555 CYS D 7  ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
8 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                   9LVE 
_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    C6 
_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_554 
_pdbx_validate_symm_contact.dist              1.49 
# 
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 . 
# 
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 15.8557 -1.3433 -24.5749 0.1387  ? -0.3849 ? -0.3802 ? 0.8033 ? -0.2937 ? 0.6948  ? 0.0955 ? 
0.1660  ? -0.0069 ? 0.2901 ? -0.0041 ? 0.0328 ? -0.0383 ? 0.1634  ? 0.0222  ? 0.0510  ? 0.0143  ? -0.2223 ? -0.0528 ? 0.2459  ? 
-0.0688 ? 
2  'X-RAY DIFFRACTION' ? refined 11.0035 -7.0997 -24.2890 0.8069  ? 0.4586  ? 0.1053  ? 0.6712 ? -0.5316 ? 0.5078  ? 0.5201 ? 
-0.2492 ? -0.0172 ? 0.7501 ? 0.2814  ? 0.5743 ? -0.0119 ? 0.0308  ? 0.0391  ? -0.1015 ? -0.0563 ? 0.0282  ? 0.0125  ? 0.0598  ? 
-0.0231 ? 
3  'X-RAY DIFFRACTION' ? refined 18.5957 -7.0564 -15.5617 0.4498  ? 0.5127  ? -0.1741 ? 0.8920 ? -0.3397 ? 0.7271  ? 0.5224 ? 
0.1487  ? 0.0314  ? 0.1041 ? 0.0164  ? 0.0706 ? 0.0033  ? 0.0196  ? -0.0598 ? 0.0044  ? -0.0324 ? 0.0035  ? 0.0147  ? -0.0116 ? 
0.0352  ? 
4  'X-RAY DIFFRACTION' ? refined 7.9085  0.7705  -17.5173 0.3534  ? -0.0126 ? -0.1689 ? 0.6398 ? 0.0507  ? 0.3334  ? 0.8292 ? 
-0.4101 ? -0.4816 ? 1.1900 ? 0.7248  ? 0.5219 ? -0.3242 ? 0.0711  ? 0.3748  ? -0.1094 ? -0.4736 ? 0.7248  ? 0.2044  ? -0.3087 ? 
-0.5152 ? 
5  'X-RAY DIFFRACTION' ? refined 17.6963 1.8144  -13.1062 -0.3309 ? -0.3402 ? -0.4667 ? 0.7934 ? -0.1857 ? 0.2440  ? 0.0538 ? 
0.0477  ? 0.1090  ? 0.0459 ? 0.0918  ? 0.1865 ? -0.0145 ? -0.2147 ? 0.1648  ? 0.3210  ? 0.0745  ? -0.1176 ? 0.1643  ? 0.0180  ? 
-0.0283 ? 
6  'X-RAY DIFFRACTION' ? refined 12.4843 9.3006  1.8756   0.2179  ? 0.1915  ? -0.2361 ? 0.6927 ? -0.1038 ? 0.7848  ? 0.9368 ? 
0.0004  ? 1.1290  ? 0.0453 ? -0.0693 ? 1.4673 ? 0.1983  ? 0.1139  ? 0.0705  ? -0.0141 ? 0.1078  ? -0.0222 ? 0.2057  ? -0.0645 ? 
0.2370  ? 
7  'X-RAY DIFFRACTION' ? refined 5.9361  11.9395 1.8543   0.7022  ? 0.3206  ? 0.0224  ? 0.9591 ? 0.1110  ? -0.1262 ? 0.5426 ? 
0.0357  ? -0.2954 ? 0.4766 ? 0.3816  ? 1.0770 ? 0.1233  ? -0.1850 ? -0.0819 ? -0.0377 ? 0.1366  ? -0.0320 ? -0.1460 ? 0.2120  ? 
0.2449  ? 
8  'X-RAY DIFFRACTION' ? refined 11.4984 16.2210 -7.3341  1.1151  ? -0.4172 ? 0.6726  ? 0.4844 ? -0.0150 ? 0.2171  ? 1.2565 ? 
0.1705  ? -0.8478 ? 0.4046 ? -0.4558 ? 1.3347 ? -0.0082 ? 0.1079  ? 0.2129  ? -0.1352 ? -0.0249 ? 0.0468  ? -0.0112 ? -0.1092 ? 
-0.1129 ? 
9  'X-RAY DIFFRACTION' ? refined 6.9751  3.5934  -5.3800  0.3378  ? -0.0421 ? 0.0364  ? 0.4353 ? 0.1390  ? 0.3248  ? 0.2887 ? 
0.3077  ? -0.4150 ? 0.4342 ? -0.3295 ? 0.7871 ? -0.3584 ? 0.2875  ? 0.0628  ? 0.2036  ? 0.0485  ? -0.3459 ? -0.1361 ? 0.2544  ? 
-0.0527 ? 
10 'X-RAY DIFFRACTION' ? refined 15.6002 7.4994  -9.3649  0.3658  ? -0.2737 ? -0.1416 ? 0.7109 ? 0.9138  ? -0.1044 ? 1.0347 ? 
-0.4907 ? 0.7805  ? 0.7583 ? -0.1054 ? 1.1535 ? 0.2000  ? -0.0068 ? -0.0206 ? -0.0499 ? 0.1448  ? 0.0706  ? -0.2627 ? 0.0050  ? 
0.1717  ? 
# 
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_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 N 0 B IPH 101 ? E IPH ? 
2 1 N 0 B ZN  102 ? F ZN  ? 
3 1 N 0 B CL  103 ? G CL  ? 
4 1 N 0 B MYR 104 ? H MYR ? 
5 1 N 0 D IPH 101 ? I IPH ? 
6 1 N 0 D ZN  102 ? J ZN  ? 
7 1 N 0 D CL  103 ? K CL  ? 
8 1 N 0 D MYR 104 ? L MYR ? 
# 
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 
ILE N    N  N N 143 
ILE CA   C  N S 144 
ILE C    C  N N 145 
ILE O    O  N N 146 
ILE CB   C  N S 147 
ILE CG1  C  N N 148 
ILE CG2  C  N N 149 
ILE CD1  C  N N 150 
ILE OXT  O  N N 151 
ILE H    H  N N 152 
ILE H2   H  N N 153 
ILE HA   H  N N 154 
ILE HB   H  N N 155 
ILE HG12 H  N N 156 
ILE HG13 H  N N 157 
ILE HG21 H  N N 158 
ILE HG22 H  N N 159 
ILE HG23 H  N N 160 
ILE HD11 H  N N 161 
ILE HD12 H  N N 162 
ILE HD13 H  N N 163 
ILE HXT  H  N N 164 
IPH C1   C  Y N 165 
IPH C2   C  Y N 166 
IPH C3   C  Y N 167 
IPH C4   C  Y N 168 
IPH C5   C  Y N 169 
IPH C6   C  Y N 170 
IPH O1   O  N N 171 
IPH H2   H  N N 172 
IPH H3   H  N N 173 
IPH H4   H  N N 174 
IPH H5   H  N N 175 
IPH H6   H  N N 176 
IPH HO1  H  N N 177 
LEU N    N  N N 178 
LEU CA   C  N S 179 
LEU C    C  N N 180 
LEU O    O  N N 181 
LEU CB   C  N N 182 
LEU CG   C  N N 183 
LEU CD1  C  N N 184 
LEU CD2  C  N N 185 
LEU OXT  O  N N 186 
LEU H    H  N N 187 
LEU H2   H  N N 188 
LEU HA   H  N N 189 
LEU HB2  H  N N 190 
LEU HB3  H  N N 191 
LEU HG   H  N N 192 
LEU HD11 H  N N 193 
LEU HD12 H  N N 194 
LEU HD13 H  N N 195 
LEU HD21 H  N N 196 
LEU HD22 H  N N 197 
LEU HD23 H  N N 198 
LEU HXT  H  N N 199 
LYS N    N  N N 200 
LYS CA   C  N S 201 
LYS C    C  N N 202 
LYS O    O  N N 203 
LYS CB   C  N N 204 
LYS CG   C  N N 205 
LYS CD   C  N N 206 
LYS CE   C  N N 207 
LYS NZ   N  N N 208 
LYS OXT  O  N N 209 
LYS H    H  N N 210 
LYS H2   H  N N 211 
LYS HA   H  N N 212 
LYS HB2  H  N N 213 
LYS HB3  H  N N 214 
LYS HG2  H  N N 215 
LYS HG3  H  N N 216 
LYS HD2  H  N N 217 
LYS HD3  H  N N 218 
LYS HE2  H  N N 219 
LYS HE3  H  N N 220 
LYS HZ1  H  N N 221 
LYS HZ2  H  N N 222 
LYS HZ3  H  N N 223 
LYS HXT  H  N N 224 
MYR C1   C  N N 225 
MYR O1   O  N N 226 
MYR O2   O  N N 227 
MYR C2   C  N N 228 
MYR C3   C  N N 229 
MYR C4   C  N N 230 
MYR C5   C  N N 231 
MYR C6   C  N N 232 
MYR C7   C  N N 233 
MYR C8   C  N N 234 
MYR C9   C  N N 235 
MYR C10  C  N N 236 
MYR C11  C  N N 237 
MYR C12  C  N N 238 
MYR C13  C  N N 239 
MYR C14  C  N N 240 
MYR HO2  H  N N 241 
MYR H21  H  N N 242 
MYR H22  H  N N 243 
MYR H31  H  N N 244 
MYR H32  H  N N 245 
MYR H41  H  N N 246 
MYR H42  H  N N 247 
MYR H51  H  N N 248 
MYR H52  H  N N 249 
MYR H61  H  N N 250 
MYR H62  H  N N 251 
MYR H71  H  N N 252 
MYR H72  H  N N 253 
MYR H81  H  N N 254 
MYR H82  H  N N 255 
MYR H91  H  N N 256 
MYR H92  H  N N 257 
MYR H101 H  N N 258 
MYR H102 H  N N 259 
MYR H111 H  N N 260 
MYR H112 H  N N 261 
MYR H121 H  N N 262 
MYR H122 H  N N 263 
MYR H131 H  N N 264 
MYR H132 H  N N 265 
MYR H141 H  N N 266 
MYR H142 H  N N 267 
MYR H143 H  N N 268 
PHE N    N  N N 269 
PHE CA   C  N S 270 
PHE C    C  N N 271 
PHE O    O  N N 272 
PHE CB   C  N N 273 
PHE CG   C  Y N 274 
PHE CD1  C  Y N 275 
PHE CD2  C  Y N 276 
PHE CE1  C  Y N 277 
PHE CE2  C  Y N 278 
PHE CZ   C  Y N 279 
PHE OXT  O  N N 280 
PHE H    H  N N 281 
PHE H2   H  N N 282 
PHE HA   H  N N 283 
PHE HB2  H  N N 284 
PHE HB3  H  N N 285 
PHE HD1  H  N N 286 
PHE HD2  H  N N 287 
PHE HE1  H  N N 288 
PHE HE2  H  N N 289 
PHE HZ   H  N N 290 
PHE HXT  H  N N 291 
PRO N    N  N N 292 
PRO CA   C  N S 293 
PRO C    C  N N 294 
PRO O    O  N N 295 
PRO CB   C  N N 296 
PRO CG   C  N N 297 
PRO CD   C  N N 298 
PRO OXT  O  N N 299 
PRO H    H  N N 300 
PRO HA   H  N N 301 
PRO HB2  H  N N 302 
PRO HB3  H  N N 303 
PRO HG2  H  N N 304 
PRO HG3  H  N N 305 
PRO HD2  H  N N 306 
PRO HD3  H  N N 307 
PRO HXT  H  N N 308 
SER N    N  N N 309 
SER CA   C  N S 310 
SER C    C  N N 311 
SER O    O  N N 312 
SER CB   C  N N 313 
SER OG   O  N N 314 
SER OXT  O  N N 315 
SER H    H  N N 316 
SER H2   H  N N 317 
SER HA   H  N N 318 
SER HB2  H  N N 319 
SER HB3  H  N N 320 
SER HG   H  N N 321 
SER HXT  H  N N 322 
THR N    N  N N 323 
THR CA   C  N S 324 
THR C    C  N N 325 
THR O    O  N N 326 
THR CB   C  N R 327 
THR OG1  O  N N 328 
THR CG2  C  N N 329 
THR OXT  O  N N 330 
THR H    H  N N 331 
THR H2   H  N N 332 
THR HA   H  N N 333 
THR HB   H  N N 334 
THR HG1  H  N N 335 
THR HG21 H  N N 336 
THR HG22 H  N N 337 
THR HG23 H  N N 338 
THR HXT  H  N N 339 
TYR N    N  N N 340 
TYR CA   C  N S 341 
TYR C    C  N N 342 
TYR O    O  N N 343 
TYR CB   C  N N 344 
TYR CG   C  Y N 345 
TYR CD1  C  Y N 346 
TYR CD2  C  Y N 347 
TYR CE1  C  Y N 348 
TYR CE2  C  Y N 349 
TYR CZ   C  Y N 350 
TYR OH   O  N N 351 
TYR OXT  O  N N 352 
TYR H    H  N N 353 
TYR H2   H  N N 354 
TYR HA   H  N N 355 
TYR HB2  H  N N 356 
TYR HB3  H  N N 357 
TYR HD1  H  N N 358 
TYR HD2  H  N N 359 
TYR HE1  H  N N 360 
TYR HE2  H  N N 361 
TYR HH   H  N N 362 
TYR HXT  H  N N 363 
VAL N    N  N N 364 
VAL CA   C  N S 365 
VAL C    C  N N 366 
VAL O    O  N N 367 
VAL CB   C  N N 368 
VAL CG1  C  N N 369 
VAL CG2  C  N N 370 
VAL OXT  O  N N 371 
VAL H    H  N N 372 
VAL H2   H  N N 373 
VAL HA   H  N N 374 
VAL HB   H  N N 375 
VAL HG11 H  N N 376 
VAL HG12 H  N N 377 
VAL HG13 H  N N 378 
VAL HG21 H  N N 379 
VAL HG22 H  N N 380 
VAL HG23 H  N N 381 
VAL HXT  H  N N 382 
ZN  ZN   ZN N N 383 
# 
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 
ILE N   CA   sing N N 135 
ILE N   H    sing N N 136 
ILE N   H2   sing N N 137 
ILE CA  C    sing N N 138 
ILE CA  CB   sing N N 139 
ILE CA  HA   sing N N 140 
ILE C   O    doub N N 141 
ILE C   OXT  sing N N 142 
ILE CB  CG1  sing N N 143 
ILE CB  CG2  sing N N 144 
ILE CB  HB   sing N N 145 
ILE CG1 CD1  sing N N 146 
ILE CG1 HG12 sing N N 147 
ILE CG1 HG13 sing N N 148 
ILE CG2 HG21 sing N N 149 
ILE CG2 HG22 sing N N 150 
ILE CG2 HG23 sing N N 151 
ILE CD1 HD11 sing N N 152 
ILE CD1 HD12 sing N N 153 
ILE CD1 HD13 sing N N 154 
ILE OXT HXT  sing N N 155 
IPH C1  C2   doub Y N 156 
IPH C1  C6   sing Y N 157 
IPH C1  O1   sing N N 158 
IPH C2  C3   sing Y N 159 
IPH C2  H2   sing N N 160 
IPH C3  C4   doub Y N 161 
IPH C3  H3   sing N N 162 
IPH C4  C5   sing Y N 163 
IPH C4  H4   sing N N 164 
IPH C5  C6   doub Y N 165 
IPH C5  H5   sing N N 166 
IPH C6  H6   sing N N 167 
IPH O1  HO1  sing N N 168 
LEU N   CA   sing N N 169 
LEU N   H    sing N N 170 
LEU N   H2   sing N N 171 
LEU CA  C    sing N N 172 
LEU CA  CB   sing N N 173 
LEU CA  HA   sing N N 174 
LEU C   O    doub N N 175 
LEU C   OXT  sing N N 176 
LEU CB  CG   sing N N 177 
LEU CB  HB2  sing N N 178 
LEU CB  HB3  sing N N 179 
LEU CG  CD1  sing N N 180 
LEU CG  CD2  sing N N 181 
LEU CG  HG   sing N N 182 
LEU CD1 HD11 sing N N 183 
LEU CD1 HD12 sing N N 184 
LEU CD1 HD13 sing N N 185 
LEU CD2 HD21 sing N N 186 
LEU CD2 HD22 sing N N 187 
LEU CD2 HD23 sing N N 188 
LEU OXT HXT  sing N N 189 
LYS N   CA   sing N N 190 
LYS N   H    sing N N 191 
LYS N   H2   sing N N 192 
LYS CA  C    sing N N 193 
LYS CA  CB   sing N N 194 
LYS CA  HA   sing N N 195 
LYS C   O    doub N N 196 
LYS C   OXT  sing N N 197 
LYS CB  CG   sing N N 198 
LYS CB  HB2  sing N N 199 
LYS CB  HB3  sing N N 200 
LYS CG  CD   sing N N 201 
LYS CG  HG2  sing N N 202 
LYS CG  HG3  sing N N 203 
LYS CD  CE   sing N N 204 
LYS CD  HD2  sing N N 205 
LYS CD  HD3  sing N N 206 
LYS CE  NZ   sing N N 207 
LYS CE  HE2  sing N N 208 
LYS CE  HE3  sing N N 209 
LYS NZ  HZ1  sing N N 210 
LYS NZ  HZ2  sing N N 211 
LYS NZ  HZ3  sing N N 212 
LYS OXT HXT  sing N N 213 
MYR C1  O1   doub N N 214 
MYR C1  O2   sing N N 215 
MYR C1  C2   sing N N 216 
MYR O2  HO2  sing N N 217 
MYR C2  C3   sing N N 218 
MYR C2  H21  sing N N 219 
MYR C2  H22  sing N N 220 
MYR C3  C4   sing N N 221 
MYR C3  H31  sing N N 222 
MYR C3  H32  sing N N 223 
MYR C4  C5   sing N N 224 
MYR C4  H41  sing N N 225 
MYR C4  H42  sing N N 226 
MYR C5  C6   sing N N 227 
MYR C5  H51  sing N N 228 
MYR C5  H52  sing N N 229 
MYR C6  C7   sing N N 230 
MYR C6  H61  sing N N 231 
MYR C6  H62  sing N N 232 
MYR C7  C8   sing N N 233 
MYR C7  H71  sing N N 234 
MYR C7  H72  sing N N 235 
MYR C8  C9   sing N N 236 
MYR C8  H81  sing N N 237 
MYR C8  H82  sing N N 238 
MYR C9  C10  sing N N 239 
MYR C9  H91  sing N N 240 
MYR C9  H92  sing N N 241 
MYR C10 C11  sing N N 242 
MYR C10 H101 sing N N 243 
MYR C10 H102 sing N N 244 
MYR C11 C12  sing N N 245 
MYR C11 H111 sing N N 246 
MYR C11 H112 sing N N 247 
MYR C12 C13  sing N N 248 
MYR C12 H121 sing N N 249 
MYR C12 H122 sing N N 250 
MYR C13 C14  sing N N 251 
MYR C13 H131 sing N N 252 
MYR C13 H132 sing N N 253 
MYR C14 H141 sing N N 254 
MYR C14 H142 sing N N 255 
MYR C14 H143 sing N N 256 
PHE N   CA   sing N N 257 
PHE N   H    sing N N 258 
PHE N   H2   sing N N 259 
PHE CA  C    sing N N 260 
PHE CA  CB   sing N N 261 
PHE CA  HA   sing N N 262 
PHE C   O    doub N N 263 
PHE C   OXT  sing N N 264 
PHE CB  CG   sing N N 265 
PHE CB  HB2  sing N N 266 
PHE CB  HB3  sing N N 267 
PHE CG  CD1  doub Y N 268 
PHE CG  CD2  sing Y N 269 
PHE CD1 CE1  sing Y N 270 
PHE CD1 HD1  sing N N 271 
PHE CD2 CE2  doub Y N 272 
PHE CD2 HD2  sing N N 273 
PHE CE1 CZ   doub Y N 274 
PHE CE1 HE1  sing N N 275 
PHE CE2 CZ   sing Y N 276 
PHE CE2 HE2  sing N N 277 
PHE CZ  HZ   sing N N 278 
PHE OXT HXT  sing N N 279 
PRO N   CA   sing N N 280 
PRO N   CD   sing N N 281 
PRO N   H    sing N N 282 
PRO CA  C    sing N N 283 
PRO CA  CB   sing N N 284 
PRO CA  HA   sing N N 285 
PRO C   O    doub N N 286 
PRO C   OXT  sing N N 287 
PRO CB  CG   sing N N 288 
PRO CB  HB2  sing N N 289 
PRO CB  HB3  sing N N 290 
PRO CG  CD   sing N N 291 
PRO CG  HG2  sing N N 292 
PRO CG  HG3  sing N N 293 
PRO CD  HD2  sing N N 294 
PRO CD  HD3  sing N N 295 
PRO OXT HXT  sing N N 296 
SER N   CA   sing N N 297 
SER N   H    sing N N 298 
SER N   H2   sing N N 299 
SER CA  C    sing N N 300 
SER CA  CB   sing N N 301 
SER CA  HA   sing N N 302 
SER C   O    doub N N 303 
SER C   OXT  sing N N 304 
SER CB  OG   sing N N 305 
SER CB  HB2  sing N N 306 
SER CB  HB3  sing N N 307 
SER OG  HG   sing N N 308 
SER OXT HXT  sing N N 309 
THR N   CA   sing N N 310 
THR N   H    sing N N 311 
THR N   H2   sing N N 312 
THR CA  C    sing N N 313 
THR CA  CB   sing N N 314 
THR CA  HA   sing N N 315 
THR C   O    doub N N 316 
THR C   OXT  sing N N 317 
THR CB  OG1  sing N N 318 
THR CB  CG2  sing N N 319 
THR CB  HB   sing N N 320 
THR OG1 HG1  sing N N 321 
THR CG2 HG21 sing N N 322 
THR CG2 HG22 sing N N 323 
THR CG2 HG23 sing N N 324 
THR OXT HXT  sing N N 325 
TYR N   CA   sing N N 326 
TYR N   H    sing N N 327 
TYR N   H2   sing N N 328 
TYR CA  C    sing N N 329 
TYR CA  CB   sing N N 330 
TYR CA  HA   sing N N 331 
TYR C   O    doub N N 332 
TYR C   OXT  sing N N 333 
TYR CB  CG   sing N N 334 
TYR CB  HB2  sing N N 335 
TYR CB  HB3  sing N N 336 
TYR CG  CD1  doub Y N 337 
TYR CG  CD2  sing Y N 338 
TYR CD1 CE1  sing Y N 339 
TYR CD1 HD1  sing N N 340 
TYR CD2 CE2  doub Y N 341 
TYR CD2 HD2  sing N N 342 
TYR CE1 CZ   doub Y N 343 
TYR CE1 HE1  sing N N 344 
TYR CE2 CZ   sing Y N 345 
TYR CE2 HE2  sing N N 346 
TYR CZ  OH   sing N N 347 
TYR OH  HH   sing N N 348 
TYR OXT HXT  sing N N 349 
VAL N   CA   sing N N 350 
VAL N   H    sing N N 351 
VAL N   H2   sing N N 352 
VAL CA  C    sing N N 353 
VAL CA  CB   sing N N 354 
VAL CA  HA   sing N N 355 
VAL C   O    doub N N 356 
VAL C   OXT  sing N N 357 
VAL CB  CG1  sing N N 358 
VAL CB  CG2  sing N N 359 
VAL CB  HB   sing N N 360 
VAL CG1 HG11 sing N N 361 
VAL CG1 HG12 sing N N 362 
VAL CG1 HG13 sing N N 363 
VAL CG2 HG21 sing N N 364 
VAL CG2 HG22 sing N N 365 
VAL CG2 HG23 sing N N 366 
VAL OXT HXT  sing N N 367 
# 
_pdbx_audit_support.funding_organization   'Other government' 
_pdbx_audit_support.country                ? 
_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                    9LVE 
_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]   0.012769 
_atom_sites.fract_transf_matrix[1][2]   0.007372 
_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]   0.014744 
_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]   0.025229 
_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  ? 20.075 0.429   -25.599 1.00 78.00  ? 1   GLY A N   1 
ATOM   2   C  CA  . GLY A 1 1  ? 19.568 0.797   -24.290 1.00 81.44  ? 1   GLY A CA  1 
ATOM   3   C  C   . GLY A 1 1  ? 18.414 -0.073  -23.836 1.00 86.51  ? 1   GLY A C   1 
ATOM   4   O  O   . GLY A 1 1  ? 17.982 -0.974  -24.555 1.00 83.49  ? 1   GLY A O   1 
ATOM   5   N  N   . ILE A 1 2  ? 17.912 0.198   -22.629 1.00 71.82  ? 2   ILE A N   1 
ATOM   6   C  CA  . ILE A 1 2  ? 16.814 -0.598  -22.091 1.00 68.58  ? 2   ILE A CA  1 
ATOM   7   C  C   . ILE A 1 2  ? 15.530 -0.358  -22.878 1.00 70.26  ? 2   ILE A C   1 
ATOM   8   O  O   . ILE A 1 2  ? 14.724 -1.280  -23.057 1.00 66.48  ? 2   ILE A O   1 
ATOM   9   C  CB  . ILE A 1 2  ? 16.637 -0.310  -20.586 1.00 66.74  ? 2   ILE A CB  1 
ATOM   10  C  CG1 . ILE A 1 2  ? 15.658 -1.304  -19.959 1.00 62.89  ? 2   ILE A CG1 1 
ATOM   11  C  CG2 . ILE A 1 2  ? 16.198 1.132   -20.342 1.00 59.74  ? 2   ILE A CG2 1 
ATOM   12  C  CD1 . ILE A 1 2  ? 15.526 -1.160  -18.463 1.00 59.29  ? 2   ILE A CD1 1 
ATOM   13  N  N   . VAL A 1 3  ? 15.316 0.867   -23.364 1.00 63.39  ? 3   VAL A N   1 
ATOM   14  C  CA  . VAL A 1 3  ? 14.096 1.171   -24.107 1.00 65.28  ? 3   VAL A CA  1 
ATOM   15  C  C   . VAL A 1 3  ? 14.091 0.454   -25.453 1.00 63.00  ? 3   VAL A C   1 
ATOM   16  O  O   . VAL A 1 3  ? 13.045 -0.012  -25.919 1.00 60.35  ? 3   VAL A O   1 
ATOM   17  C  CB  . VAL A 1 3  ? 13.932 2.695   -24.263 1.00 66.76  ? 3   VAL A CB  1 
ATOM   18  C  CG1 . VAL A 1 3  ? 15.186 3.319   -24.862 1.00 64.53  ? 3   VAL A CG1 1 
ATOM   19  C  CG2 . VAL A 1 3  ? 12.708 3.021   -25.108 1.00 64.43  ? 3   VAL A CG2 1 
ATOM   20  N  N   . GLU A 1 4  ? 15.254 0.343   -26.095 1.00 69.44  ? 4   GLU A N   1 
ATOM   21  C  CA  . GLU A 1 4  ? 15.328 -0.237  -27.429 1.00 67.13  ? 4   GLU A CA  1 
ATOM   22  C  C   . GLU A 1 4  ? 15.385 -1.759  -27.424 1.00 66.13  ? 4   GLU A C   1 
ATOM   23  O  O   . GLU A 1 4  ? 15.321 -2.365  -28.499 1.00 68.84  ? 4   GLU A O   1 
ATOM   24  C  CB  . GLU A 1 4  ? 16.545 0.316   -28.174 1.00 67.07  ? 4   GLU A CB  1 
ATOM   25  C  CG  . GLU A 1 4  ? 16.604 1.834   -28.217 1.00 67.05  ? 4   GLU A CG  1 
ATOM   26  C  CD  . GLU A 1 4  ? 17.779 2.391   -27.439 1.00 67.66  ? 4   GLU A CD  1 
ATOM   27  O  OE1 . GLU A 1 4  ? 18.775 1.657   -27.265 1.00 70.48  ? 4   GLU A OE1 1 
ATOM   28  O  OE2 . GLU A 1 4  ? 17.708 3.558   -27.000 1.00 61.35  ? 4   GLU A OE2 1 
ATOM   29  N  N   . GLN A 1 5  ? 15.496 -2.391  -26.258 1.00 63.22  ? 5   GLN A N   1 
ATOM   30  C  CA  . GLN A 1 5  ? 15.621 -3.839  -26.166 1.00 63.37  ? 5   GLN A CA  1 
ATOM   31  C  C   . GLN A 1 5  ? 14.436 -4.498  -25.474 1.00 65.54  ? 5   GLN A C   1 
ATOM   32  O  O   . GLN A 1 5  ? 13.902 -5.491  -25.977 1.00 63.76  ? 5   GLN A O   1 
ATOM   33  C  CB  . GLN A 1 5  ? 16.918 -4.208  -25.432 1.00 62.08  ? 5   GLN A CB  1 
ATOM   34  C  CG  . GLN A 1 5  ? 18.188 -3.774  -26.151 1.00 67.28  ? 5   GLN A CG  1 
ATOM   35  C  CD  . GLN A 1 5  ? 19.449 -4.126  -25.383 1.00 69.31  ? 5   GLN A CD  1 
ATOM   36  O  OE1 . GLN A 1 5  ? 19.396 -4.801  -24.354 1.00 69.93  ? 5   GLN A OE1 1 
ATOM   37  N  NE2 . GLN A 1 5  ? 20.592 -3.665  -25.879 1.00 70.98  ? 5   GLN A NE2 1 
ATOM   38  N  N   . CYS A 1 6  ? 14.010 -3.971  -24.327 1.00 62.88  ? 6   CYS A N   1 
ATOM   39  C  CA  . CYS A 1 6  ? 12.947 -4.589  -23.547 1.00 65.62  ? 6   CYS A CA  1 
ATOM   40  C  C   . CYS A 1 6  ? 11.567 -4.008  -23.821 1.00 61.97  ? 6   CYS A C   1 
ATOM   41  O  O   . CYS A 1 6  ? 10.581 -4.526  -23.286 1.00 61.34  ? 6   CYS A O   1 
ATOM   42  C  CB  . CYS A 1 6  ? 13.259 -4.478  -22.052 1.00 66.44  ? 6   CYS A CB  1 
ATOM   43  S  SG  . CYS A 1 6  ? 14.587 -5.573  -21.533 1.00 66.00  ? 6   CYS A SG  1 
ATOM   44  N  N   . CYS A 1 7  ? 11.464 -2.957  -24.633 1.00 65.27  ? 7   CYS A N   1 
ATOM   45  C  CA  . CYS A 1 7  ? 10.171 -2.404  -25.002 1.00 63.58  ? 7   CYS A CA  1 
ATOM   46  C  C   . CYS A 1 7  ? 9.763  -2.722  -26.432 1.00 64.69  ? 7   CYS A C   1 
ATOM   47  O  O   . CYS A 1 7  ? 8.594  -2.524  -26.781 1.00 61.77  ? 7   CYS A O   1 
ATOM   48  C  CB  . CYS A 1 7  ? 10.159 -0.883  -24.796 1.00 55.57  ? 7   CYS A CB  1 
ATOM   49  S  SG  . CYS A 1 7  ? 9.728  -0.382  -23.123 1.00 55.28  ? 7   CYS A SG  1 
ATOM   50  N  N   . THR A 1 8  ? 10.687 -3.195  -27.267 1.00 66.27  ? 8   THR A N   1 
ATOM   51  C  CA  . THR A 1 8  ? 10.351 -3.688  -28.595 1.00 67.63  ? 8   THR A CA  1 
ATOM   52  C  C   . THR A 1 8  ? 10.332 -5.210  -28.668 1.00 67.98  ? 8   THR A C   1 
ATOM   53  O  O   . THR A 1 8  ? 9.800  -5.763  -29.637 1.00 71.92  ? 8   THR A O   1 
ATOM   54  C  CB  . THR A 1 8  ? 11.331 -3.131  -29.636 1.00 68.67  ? 8   THR A CB  1 
ATOM   55  O  OG1 . THR A 1 8  ? 12.658 -3.586  -29.344 1.00 68.62  ? 8   THR A OG1 1 
ATOM   56  C  CG2 . THR A 1 8  ? 11.304 -1.606  -29.623 1.00 63.54  ? 8   THR A CG2 1 
ATOM   57  N  N   . SER A 1 9  ? 10.894 -5.889  -27.670 1.00 72.05  ? 9   SER A N   1 
ATOM   58  C  CA  . SER A 1 9  ? 10.759 -7.328  -27.503 1.00 68.12  ? 9   SER A CA  1 
ATOM   59  C  C   . SER A 1 9  ? 10.539 -7.620  -26.025 1.00 67.28  ? 9   SER A C   1 
ATOM   60  O  O   . SER A 1 9  ? 11.095 -6.942  -25.157 1.00 67.94  ? 9   SER A O   1 
ATOM   61  C  CB  . SER A 1 9  ? 11.990 -8.083  -28.021 1.00 68.34  ? 9   SER A CB  1 
ATOM   62  O  OG  . SER A 1 9  ? 13.174 -7.612  -27.401 1.00 69.23  ? 9   SER A OG  1 
ATOM   63  N  N   . ILE A 1 10 ? 9.718  -8.632  -25.744 1.00 68.73  ? 10  ILE A N   1 
ATOM   64  C  CA  . ILE A 1 10 ? 9.396  -8.965  -24.361 1.00 70.42  ? 10  ILE A CA  1 
ATOM   65  C  C   . ILE A 1 10 ? 10.645 -9.485  -23.663 1.00 71.74  ? 10  ILE A C   1 
ATOM   66  O  O   . ILE A 1 10 ? 11.328 -10.389 -24.162 1.00 71.99  ? 10  ILE A O   1 
ATOM   67  C  CB  . ILE A 1 10 ? 8.252  -9.987  -24.301 1.00 65.78  ? 10  ILE A CB  1 
ATOM   68  C  CG1 . ILE A 1 10 ? 6.969  -9.384  -24.878 1.00 65.83  ? 10  ILE A CG1 1 
ATOM   69  C  CG2 . ILE A 1 10 ? 8.022  -10.451 -22.867 1.00 65.69  ? 10  ILE A CG2 1 
ATOM   70  C  CD1 . ILE A 1 10 ? 5.781  -10.319 -24.837 1.00 65.99  ? 10  ILE A CD1 1 
ATOM   71  N  N   . CYS A 1 11 ? 10.950 -8.913  -22.504 1.00 66.49  ? 11  CYS A N   1 
ATOM   72  C  CA  . CYS A 1 11 ? 12.136 -9.268  -21.737 1.00 64.99  ? 11  CYS A CA  1 
ATOM   73  C  C   . CYS A 1 11 ? 11.750 -10.147 -20.556 1.00 64.08  ? 11  CYS A C   1 
ATOM   74  O  O   . CYS A 1 11 ? 10.847 -9.801  -19.786 1.00 64.96  ? 11  CYS A O   1 
ATOM   75  C  CB  . CYS A 1 11 ? 12.857 -8.016  -21.239 1.00 64.67  ? 11  CYS A CB  1 
ATOM   76  S  SG  . CYS A 1 11 ? 14.070 -7.342  -22.384 1.00 62.20  ? 11  CYS A SG  1 
ATOM   77  N  N   . SER A 1 12 ? 12.433 -11.282 -20.421 1.00 63.15  ? 12  SER A N   1 
ATOM   78  C  CA  . SER A 1 12 ? 12.298 -12.102 -19.229 1.00 59.70  ? 12  SER A CA  1 
ATOM   79  C  C   . SER A 1 12 ? 12.923 -11.384 -18.036 1.00 57.85  ? 12  SER A C   1 
ATOM   80  O  O   . SER A 1 12 ? 13.616 -10.373 -18.178 1.00 57.76  ? 12  SER A O   1 
ATOM   81  C  CB  . SER A 1 12 ? 12.949 -13.470 -19.437 1.00 58.34  ? 12  SER A CB  1 
ATOM   82  O  OG  . SER A 1 12 ? 12.780 -14.302 -18.300 1.00 55.73  ? 12  SER A OG  1 
ATOM   83  N  N   . LEU A 1 13 ? 12.674 -11.927 -16.843 1.00 58.52  ? 13  LEU A N   1 
ATOM   84  C  CA  . LEU A 1 13 ? 13.085 -11.248 -15.617 1.00 54.89  ? 13  LEU A CA  1 
ATOM   85  C  C   . LEU A 1 13 ? 14.594 -11.059 -15.563 1.00 56.04  ? 13  LEU A C   1 
ATOM   86  O  O   . LEU A 1 13 ? 15.080 -10.033 -15.071 1.00 57.85  ? 13  LEU A O   1 
ATOM   87  C  CB  . LEU A 1 13 ? 12.605 -12.023 -14.391 1.00 54.97  ? 13  LEU A CB  1 
ATOM   88  C  CG  . LEU A 1 13 ? 11.129 -11.886 -14.023 1.00 54.99  ? 13  LEU A CG  1 
ATOM   89  C  CD1 . LEU A 1 13 ? 10.754 -10.418 -13.856 1.00 54.87  ? 13  LEU A CD1 1 
ATOM   90  C  CD2 . LEU A 1 13 ? 10.256 -12.569 -15.063 1.00 55.07  ? 13  LEU A CD2 1 
ATOM   91  N  N   . TYR A 1 14 ? 15.354 -12.039 -16.054 1.00 56.42  ? 14  TYR A N   1 
ATOM   92  C  CA  . TYR A 1 14 ? 16.803 -11.890 -16.064 1.00 56.60  ? 14  TYR A CA  1 
ATOM   93  C  C   . TYR A 1 14 ? 17.234 -10.747 -16.975 1.00 59.04  ? 14  TYR A C   1 
ATOM   94  O  O   . TYR A 1 14 ? 18.209 -10.046 -16.681 1.00 65.12  ? 14  TYR A O   1 
ATOM   95  C  CB  . TYR A 1 14 ? 17.482 -13.189 -16.490 1.00 56.55  ? 14  TYR A CB  1 
ATOM   96  C  CG  . TYR A 1 14 ? 18.964 -12.992 -16.681 0.00 61.78  ? 14  TYR A CG  1 
ATOM   97  C  CD1 . TYR A 1 14 ? 19.816 -12.912 -15.588 0.00 63.73  ? 14  TYR A CD1 1 
ATOM   98  C  CD2 . TYR A 1 14 ? 19.508 -12.844 -17.950 0.00 61.96  ? 14  TYR A CD2 1 
ATOM   99  C  CE1 . TYR A 1 14 ? 21.170 -12.711 -15.754 0.00 66.59  ? 14  TYR A CE1 1 
ATOM   100 C  CE2 . TYR A 1 14 ? 20.859 -12.641 -18.126 0.00 63.45  ? 14  TYR A CE2 1 
ATOM   101 C  CZ  . TYR A 1 14 ? 21.686 -12.576 -17.025 0.00 66.71  ? 14  TYR A CZ  1 
ATOM   102 O  OH  . TYR A 1 14 ? 23.035 -12.378 -17.199 0.00 69.73  ? 14  TYR A OH  1 
ATOM   103 N  N   . GLN A 1 15 ? 16.535 -10.555 -18.097 1.00 57.00  ? 15  GLN A N   1 
ATOM   104 C  CA  . GLN A 1 15 ? 16.881 -9.453  -18.988 1.00 58.73  ? 15  GLN A CA  1 
ATOM   105 C  C   . GLN A 1 15 ? 16.763 -8.109  -18.282 1.00 58.51  ? 15  GLN A C   1 
ATOM   106 O  O   . GLN A 1 15 ? 17.524 -7.181  -18.583 1.00 59.29  ? 15  GLN A O   1 
ATOM   107 C  CB  . GLN A 1 15 ? 16.000 -9.479  -20.238 1.00 63.36  ? 15  GLN A CB  1 
ATOM   108 C  CG  . GLN A 1 15 ? 16.197 -10.697 -21.125 1.00 61.93  ? 15  GLN A CG  1 
ATOM   109 C  CD  . GLN A 1 15 ? 16.150 -10.352 -22.603 1.00 61.93  ? 15  GLN A CD  1 
ATOM   110 O  OE1 . GLN A 1 15 ? 15.140 -10.571 -23.275 1.00 61.05  ? 15  GLN A OE1 1 
ATOM   111 N  NE2 . GLN A 1 15 ? 17.249 -9.810  -23.117 1.00 63.35  ? 15  GLN A NE2 1 
ATOM   112 N  N   . LEU A 1 16 ? 15.822 -7.983  -17.344 1.00 58.96  ? 16  LEU A N   1 
ATOM   113 C  CA  . LEU A 1 16 ? 15.747 -6.770  -16.538 1.00 58.86  ? 16  LEU A CA  1 
ATOM   114 C  C   . LEU A 1 16 ? 16.890 -6.689  -15.533 1.00 58.82  ? 16  LEU A C   1 
ATOM   115 O  O   . LEU A 1 16 ? 17.266 -5.588  -15.114 1.00 58.74  ? 16  LEU A O   1 
ATOM   116 C  CB  . LEU A 1 16 ? 14.403 -6.693  -15.811 1.00 58.88  ? 16  LEU A CB  1 
ATOM   117 C  CG  . LEU A 1 16 ? 13.161 -6.298  -16.617 1.00 58.91  ? 16  LEU A CG  1 
ATOM   118 C  CD1 . LEU A 1 16 ? 13.463 -5.126  -17.544 1.00 58.87  ? 16  LEU A CD1 1 
ATOM   119 C  CD2 . LEU A 1 16 ? 12.594 -7.476  -17.393 1.00 59.01  ? 16  LEU A CD2 1 
ATOM   120 N  N   . GLU A 1 17 ? 17.446 -7.836  -15.128 1.00 60.03  ? 17  GLU A N   1 
ATOM   121 C  CA  . GLU A 1 17 ? 18.531 -7.837  -14.151 1.00 62.19  ? 17  GLU A CA  1 
ATOM   122 C  C   . GLU A 1 17 ? 19.803 -7.198  -14.690 1.00 63.17  ? 17  GLU A C   1 
ATOM   123 O  O   . GLU A 1 17 ? 20.658 -6.791  -13.897 1.00 67.01  ? 17  GLU A O   1 
ATOM   124 C  CB  . GLU A 1 17 ? 18.840 -9.262  -13.687 1.00 63.73  ? 17  GLU A CB  1 
ATOM   125 C  CG  . GLU A 1 17 ? 17.706 -9.950  -12.951 1.00 63.76  ? 17  GLU A CG  1 
ATOM   126 C  CD  . GLU A 1 17 ? 18.203 -10.838 -11.826 1.00 63.90  ? 17  GLU A CD  1 
ATOM   127 O  OE1 . GLU A 1 17 ? 19.279 -10.542 -11.265 1.00 63.88  ? 17  GLU A OE1 1 
ATOM   128 O  OE2 . GLU A 1 17 ? 17.519 -11.833 -11.505 1.00 61.05  ? 17  GLU A OE2 1 
ATOM   129 N  N   . ASN A 1 18 ? 19.950 -7.106  -16.014 1.00 62.26  ? 18  ASN A N   1 
ATOM   130 C  CA  . ASN A 1 18 ? 21.163 -6.529  -16.584 1.00 62.22  ? 18  ASN A CA  1 
ATOM   131 C  C   . ASN A 1 18 ? 21.308 -5.053  -16.235 1.00 62.12  ? 18  ASN A C   1 
ATOM   132 O  O   . ASN A 1 18 ? 22.431 -4.538  -16.183 1.00 62.08  ? 18  ASN A O   1 
ATOM   133 C  CB  . ASN A 1 18 ? 21.167 -6.712  -18.102 1.00 62.28  ? 18  ASN A CB  1 
ATOM   134 C  CG  . ASN A 1 18 ? 21.012 -8.160  -18.516 1.00 62.41  ? 18  ASN A CG  1 
ATOM   135 O  OD1 . ASN A 1 18 ? 21.392 -9.073  -17.782 1.00 62.46  ? 18  ASN A OD1 1 
ATOM   136 N  ND2 . ASN A 1 18 ? 20.450 -8.379  -19.700 1.00 62.49  ? 18  ASN A ND2 1 
ATOM   137 N  N   . TYR A 1 19 ? 20.196 -4.361  -15.988 1.00 65.50  ? 19  TYR A N   1 
ATOM   138 C  CA  . TYR A 1 19 ? 20.196 -2.917  -15.791 1.00 71.17  ? 19  TYR A CA  1 
ATOM   139 C  C   . TYR A 1 19 ? 20.196 -2.514  -14.320 1.00 69.50  ? 19  TYR A C   1 
ATOM   140 O  O   . TYR A 1 19 ? 19.982 -1.337  -14.013 1.00 66.81  ? 19  TYR A O   1 
ATOM   141 C  CB  . TYR A 1 19 ? 18.998 -2.291  -16.510 1.00 71.66  ? 19  TYR A CB  1 
ATOM   142 C  CG  . TYR A 1 19 ? 18.965 -2.581  -17.994 1.00 71.27  ? 19  TYR A CG  1 
ATOM   143 C  CD1 . TYR A 1 19 ? 19.684 -1.801  -18.890 1.00 71.22  ? 19  TYR A CD1 1 
ATOM   144 C  CD2 . TYR A 1 19 ? 18.217 -3.637  -18.498 1.00 68.20  ? 19  TYR A CD2 1 
ATOM   145 C  CE1 . TYR A 1 19 ? 19.660 -2.064  -20.245 1.00 72.54  ? 19  TYR A CE1 1 
ATOM   146 C  CE2 . TYR A 1 19 ? 18.185 -3.907  -19.852 1.00 70.84  ? 19  TYR A CE2 1 
ATOM   147 C  CZ  . TYR A 1 19 ? 18.908 -3.117  -20.721 1.00 71.99  ? 19  TYR A CZ  1 
ATOM   148 O  OH  . TYR A 1 19 ? 18.882 -3.381  -22.071 1.00 70.41  ? 19  TYR A OH  1 
ATOM   149 N  N   . CYS A 1 20 ? 20.426 -3.455  -13.409 1.00 72.59  ? 20  CYS A N   1 
ATOM   150 C  CA  . CYS A 1 20 ? 20.526 -3.143  -11.991 1.00 69.42  ? 20  CYS A CA  1 
ATOM   151 C  C   . CYS A 1 20 ? 21.951 -2.744  -11.628 1.00 66.30  ? 20  CYS A C   1 
ATOM   152 O  O   . CYS A 1 20 ? 22.923 -3.205  -12.233 1.00 66.92  ? 20  CYS A O   1 
ATOM   153 C  CB  . CYS A 1 20 ? 20.085 -4.332  -11.137 1.00 70.53  ? 20  CYS A CB  1 
ATOM   154 S  SG  . CYS A 1 20 ? 18.370 -4.838  -11.393 1.00 66.56  ? 20  CYS A SG  1 
ATOM   155 N  N   . ASN A 1 21 ? 22.063 -1.884  -10.622 1.00 63.37  ? 21  ASN A N   1 
ATOM   156 C  CA  . ASN A 1 21 ? 23.352 -1.359  -10.194 1.00 61.55  ? 21  ASN A CA  1 
ATOM   157 C  C   . ASN A 1 21 ? 24.203 -2.435  -9.526  1.00 61.44  ? 21  ASN A C   1 
ATOM   158 O  O   . ASN A 1 21 ? 25.408 -2.519  -9.766  1.00 61.37  ? 21  ASN A O   1 
ATOM   159 C  CB  . ASN A 1 21 ? 23.145 -0.178  -9.247  1.00 64.66  ? 21  ASN A CB  1 
ATOM   160 C  CG  . ASN A 1 21 ? 22.232 0.879   -9.835  1.00 64.76  ? 21  ASN A CG  1 
ATOM   161 O  OD1 . ASN A 1 21 ? 21.655 0.688   -10.906 1.00 64.06  ? 21  ASN A OD1 1 
ATOM   162 N  ND2 . ASN A 1 21 ? 22.090 1.998   -9.135  1.00 65.68  ? 21  ASN A ND2 1 
ATOM   163 O  OXT . ASN A 1 21 ? 23.710 -3.247  -8.743  1.00 61.84  ? 21  ASN A OXT 1 
ATOM   164 N  N   . PHE B 2 1  ? 5.742  9.601   -28.952 1.00 51.31  ? 1   PHE B N   1 
ATOM   165 C  CA  . PHE B 2 1  ? 4.901  8.412   -29.007 1.00 51.02  ? 1   PHE B CA  1 
ATOM   166 C  C   . PHE B 2 1  ? 4.466  8.013   -27.600 1.00 51.74  ? 1   PHE B C   1 
ATOM   167 O  O   . PHE B 2 1  ? 5.292  7.667   -26.755 1.00 52.09  ? 1   PHE B O   1 
ATOM   168 C  CB  . PHE B 2 1  ? 5.644  7.261   -29.689 1.00 49.00  ? 1   PHE B CB  1 
ATOM   169 C  CG  . PHE B 2 1  ? 4.746  6.286   -30.401 1.00 49.42  ? 1   PHE B CG  1 
ATOM   170 C  CD1 . PHE B 2 1  ? 3.411  6.156   -30.052 1.00 48.70  ? 1   PHE B CD1 1 
ATOM   171 C  CD2 . PHE B 2 1  ? 5.243  5.499   -31.426 1.00 50.08  ? 1   PHE B CD2 1 
ATOM   172 C  CE1 . PHE B 2 1  ? 2.592  5.257   -30.713 1.00 48.74  ? 1   PHE B CE1 1 
ATOM   173 C  CE2 . PHE B 2 1  ? 4.431  4.599   -32.088 1.00 46.81  ? 1   PHE B CE2 1 
ATOM   174 C  CZ  . PHE B 2 1  ? 3.104  4.477   -31.731 1.00 47.60  ? 1   PHE B CZ  1 
ATOM   175 N  N   . VAL B 2 2  ? 3.155  8.074   -27.355 1.00 52.49  ? 2   VAL B N   1 
ATOM   176 C  CA  . VAL B 2 2  ? 2.626  7.737   -26.036 1.00 51.46  ? 2   VAL B CA  1 
ATOM   177 C  C   . VAL B 2 2  ? 2.786  6.252   -25.749 1.00 51.58  ? 2   VAL B C   1 
ATOM   178 O  O   . VAL B 2 2  ? 3.002  5.858   -24.596 1.00 54.85  ? 2   VAL B O   1 
ATOM   179 C  CB  . VAL B 2 2  ? 1.156  8.176   -25.918 1.00 53.88  ? 2   VAL B CB  1 
ATOM   180 C  CG1 . VAL B 2 2  ? 0.716  8.184   -24.462 1.00 53.14  ? 2   VAL B CG1 1 
ATOM   181 C  CG2 . VAL B 2 2  ? 0.974  9.539   -26.533 1.00 61.72  ? 2   VAL B CG2 1 
ATOM   182 N  N   . ASN B 2 3  ? 2.665  5.405   -26.776 1.00 53.16  ? 3   ASN B N   1 
ATOM   183 C  CA  . ASN B 2 3  ? 2.915  3.979   -26.591 1.00 52.82  ? 3   ASN B CA  1 
ATOM   184 C  C   . ASN B 2 3  ? 4.303  3.737   -26.013 1.00 52.32  ? 3   ASN B C   1 
ATOM   185 O  O   . ASN B 2 3  ? 4.493  2.810   -25.219 1.00 54.16  ? 3   ASN B O   1 
ATOM   186 C  CB  . ASN B 2 3  ? 2.747  3.241   -27.921 1.00 50.83  ? 3   ASN B CB  1 
ATOM   187 C  CG  . ASN B 2 3  ? 2.447  1.765   -27.739 1.00 50.19  ? 3   ASN B CG  1 
ATOM   188 O  OD1 . ASN B 2 3  ? 2.737  1.184   -26.695 1.00 53.26  ? 3   ASN B OD1 1 
ATOM   189 N  ND2 . ASN B 2 3  ? 1.860  1.150   -28.759 1.00 48.90  ? 3   ASN B ND2 1 
ATOM   190 N  N   . GLN B 2 4  ? 5.280  4.565   -26.392 1.00 53.97  ? 4   GLN B N   1 
ATOM   191 C  CA  . GLN B 2 4  ? 6.591  4.508   -25.756 1.00 55.23  ? 4   GLN B CA  1 
ATOM   192 C  C   . GLN B 2 4  ? 6.504  4.867   -24.279 1.00 57.91  ? 4   GLN B C   1 
ATOM   193 O  O   . GLN B 2 4  ? 7.140  4.223   -23.436 1.00 60.63  ? 4   GLN B O   1 
ATOM   194 C  CB  . GLN B 2 4  ? 7.564  5.445   -26.470 1.00 51.08  ? 4   GLN B CB  1 
ATOM   195 C  CG  . GLN B 2 4  ? 8.902  5.589   -25.764 1.00 50.27  ? 4   GLN B CG  1 
ATOM   196 C  CD  . GLN B 2 4  ? 9.561  6.928   -26.031 1.00 47.21  ? 4   GLN B CD  1 
ATOM   197 O  OE1 . GLN B 2 4  ? 9.063  7.730   -26.821 1.00 45.95  ? 4   GLN B OE1 1 
ATOM   198 N  NE2 . GLN B 2 4  ? 10.682 7.179   -25.366 1.00 46.13  ? 4   GLN B NE2 1 
ATOM   199 N  N   . HIS B 2 5  ? 5.728  5.901   -23.949 1.00 55.50  ? 5   HIS B N   1 
ATOM   200 C  CA  . HIS B 2 5  ? 5.622  6.333   -22.560 1.00 52.28  ? 5   HIS B CA  1 
ATOM   201 C  C   . HIS B 2 5  ? 4.997  5.251   -21.689 1.00 53.11  ? 5   HIS B C   1 
ATOM   202 O  O   . HIS B 2 5  ? 5.417  5.047   -20.543 1.00 56.51  ? 5   HIS B O   1 
ATOM   203 C  CB  . HIS B 2 5  ? 4.809  7.624   -22.477 1.00 51.17  ? 5   HIS B CB  1 
ATOM   204 C  CG  . HIS B 2 5  ? 4.847  8.276   -21.131 1.00 52.80  ? 5   HIS B CG  1 
ATOM   205 N  ND1 . HIS B 2 5  ? 4.138  7.796   -20.051 1.00 49.40  ? 5   HIS B ND1 1 
ATOM   206 C  CD2 . HIS B 2 5  ? 5.509  9.372   -20.690 1.00 50.76  ? 5   HIS B CD2 1 
ATOM   207 C  CE1 . HIS B 2 5  ? 4.362  8.568   -19.003 1.00 54.54  ? 5   HIS B CE1 1 
ATOM   208 N  NE2 . HIS B 2 5  ? 5.189  9.532   -19.364 1.00 52.58  ? 5   HIS B NE2 1 
ATOM   209 N  N   . LEU B 2 6  ? 3.986  4.553   -22.212 1.00 56.21  ? 6   LEU B N   1 
ATOM   210 C  CA  . LEU B 2 6  ? 3.321  3.515   -21.431 1.00 60.38  ? 6   LEU B CA  1 
ATOM   211 C  C   . LEU B 2 6  ? 4.272  2.369   -21.106 1.00 61.83  ? 6   LEU B C   1 
ATOM   212 O  O   . LEU B 2 6  ? 4.225  1.809   -20.004 1.00 71.53  ? 6   LEU B O   1 
ATOM   213 C  CB  . LEU B 2 6  ? 2.093  2.999   -22.179 1.00 57.75  ? 6   LEU B CB  1 
ATOM   214 C  CG  . LEU B 2 6  ? 1.008  4.036   -22.476 1.00 57.74  ? 6   LEU B CG  1 
ATOM   215 C  CD1 . LEU B 2 6  ? -0.226 3.369   -23.067 1.00 59.89  ? 6   LEU B CD1 1 
ATOM   216 C  CD2 . LEU B 2 6  ? 0.650  4.831   -21.227 1.00 60.53  ? 6   LEU B CD2 1 
ATOM   217 N  N   . CYS B 2 7  ? 5.136  1.998   -22.055 1.00 59.99  ? 7   CYS B N   1 
ATOM   218 C  CA  . CYS B 2 7  ? 6.084  0.920   -21.794 1.00 69.53  ? 7   CYS B CA  1 
ATOM   219 C  C   . CYS B 2 7  ? 7.101  1.315   -20.730 1.00 69.52  ? 7   CYS B C   1 
ATOM   220 O  O   . CYS B 2 7  ? 7.568  0.456   -19.974 1.00 68.16  ? 7   CYS B O   1 
ATOM   221 C  CB  . CYS B 2 7  ? 6.793  0.506   -23.086 1.00 66.32  ? 7   CYS B CB  1 
ATOM   222 S  SG  . CYS B 2 7  ? 7.800  -0.994  -22.912 1.00 50.53  ? 7   CYS B SG  1 
ATOM   223 N  N   . GLY B 2 8  ? 7.452  2.600   -20.651 1.00 64.81  ? 8   GLY B N   1 
ATOM   224 C  CA  . GLY B 2 8  ? 8.345  3.046   -19.595 1.00 64.40  ? 8   GLY B CA  1 
ATOM   225 C  C   . GLY B 2 8  ? 7.738  2.888   -18.213 1.00 58.01  ? 8   GLY B C   1 
ATOM   226 O  O   . GLY B 2 8  ? 8.423  2.491   -17.267 1.00 55.13  ? 8   GLY B O   1 
ATOM   227 N  N   . SER B 2 9  ? 6.446  3.194   -18.080 1.00 69.63  ? 9   SER B N   1 
ATOM   228 C  CA  . SER B 2 9  ? 5.765  3.044   -16.798 1.00 67.81  ? 9   SER B CA  1 
ATOM   229 C  C   . SER B 2 9  ? 5.711  1.593   -16.339 1.00 66.34  ? 9   SER B C   1 
ATOM   230 O  O   . SER B 2 9  ? 5.617  1.340   -15.132 1.00 67.46  ? 9   SER B O   1 
ATOM   231 C  CB  . SER B 2 9  ? 4.352  3.623   -16.888 1.00 68.13  ? 9   SER B CB  1 
ATOM   232 O  OG  . SER B 2 9  ? 3.679  3.146   -18.039 1.00 67.76  ? 9   SER B OG  1 
ATOM   233 N  N   . HIS B 2 10 ? 5.759  0.638   -17.266 1.00 61.03  ? 10  HIS B N   1 
ATOM   234 C  CA  . HIS B 2 10 ? 5.883  -0.766  -16.903 1.00 62.48  ? 10  HIS B CA  1 
ATOM   235 C  C   . HIS B 2 10 ? 7.330  -1.212  -16.783 1.00 60.38  ? 10  HIS B C   1 
ATOM   236 O  O   . HIS B 2 10 ? 7.608  -2.193  -16.084 1.00 55.45  ? 10  HIS B O   1 
ATOM   237 C  CB  . HIS B 2 10 ? 5.163  -1.645  -17.929 1.00 74.07  ? 10  HIS B CB  1 
ATOM   238 C  CG  . HIS B 2 10 ? 3.677  -1.463  -17.942 1.00 70.32  ? 10  HIS B CG  1 
ATOM   239 N  ND1 . HIS B 2 10 ? 2.829  -2.208  -17.152 1.00 70.78  ? 10  HIS B ND1 1 
ATOM   240 C  CD2 . HIS B 2 10 ? 2.887  -0.618  -18.646 1.00 65.87  ? 10  HIS B CD2 1 
ATOM   241 C  CE1 . HIS B 2 10 ? 1.582  -1.832  -17.369 1.00 70.76  ? 10  HIS B CE1 1 
ATOM   242 N  NE2 . HIS B 2 10 ? 1.589  -0.868  -18.272 1.00 64.76  ? 10  HIS B NE2 1 
ATOM   243 N  N   . LEU B 2 11 ? 8.253  -0.525  -17.455 1.00 60.39  ? 11  LEU B N   1 
ATOM   244 C  CA  . LEU B 2 11 ? 9.666  -0.849  -17.311 1.00 62.92  ? 11  LEU B CA  1 
ATOM   245 C  C   . LEU B 2 11 ? 10.177 -0.470  -15.926 1.00 60.25  ? 11  LEU B C   1 
ATOM   246 O  O   . LEU B 2 11 ? 10.948 -1.221  -15.317 1.00 57.03  ? 11  LEU B O   1 
ATOM   247 C  CB  . LEU B 2 11 ? 10.476 -0.148  -18.403 1.00 64.42  ? 11  LEU B CB  1 
ATOM   248 C  CG  . LEU B 2 11 ? 10.717 -0.910  -19.711 1.00 57.52  ? 11  LEU B CG  1 
ATOM   249 C  CD1 . LEU B 2 11 ? 12.114 -1.494  -19.731 1.00 52.25  ? 11  LEU B CD1 1 
ATOM   250 C  CD2 . LEU B 2 11 ? 9.690  -2.014  -19.928 1.00 61.94  ? 11  LEU B CD2 1 
ATOM   251 N  N   . VAL B 2 12 ? 9.752  0.687   -15.410 1.00 58.08  ? 12  VAL B N   1 
ATOM   252 C  CA  . VAL B 2 12 ? 10.204 1.129   -14.093 1.00 54.07  ? 12  VAL B CA  1 
ATOM   253 C  C   . VAL B 2 12 ? 9.693  0.193   -13.003 1.00 50.79  ? 12  VAL B C   1 
ATOM   254 O  O   . VAL B 2 12 ? 10.432 -0.156  -12.073 1.00 50.99  ? 12  VAL B O   1 
ATOM   255 C  CB  . VAL B 2 12 ? 9.784  2.590   -13.841 1.00 54.90  ? 12  VAL B CB  1 
ATOM   256 C  CG1 A VAL B 2 12 ? 10.563 3.526   -14.751 1.00 56.68  ? 12  VAL B CG1 1 
ATOM   257 C  CG1 B VAL B 2 12 ? 10.169 3.022   -12.440 0.00 50.89  ? 12  VAL B CG1 1 
ATOM   258 C  CG2 A VAL B 2 12 ? 8.288  2.774   -14.047 1.00 55.72  ? 12  VAL B CG2 1 
ATOM   259 C  CG2 B VAL B 2 12 ? 10.415 3.506   -14.877 0.00 57.01  ? 12  VAL B CG2 1 
ATOM   260 N  N   . GLU B 2 13 ? 8.427  -0.226  -13.090 1.00 41.02  ? 13  GLU B N   1 
ATOM   261 C  CA  . GLU B 2 13 ? 7.901  -1.146  -12.088 1.00 45.45  ? 13  GLU B CA  1 
ATOM   262 C  C   . GLU B 2 13 ? 8.547  -2.520  -12.206 1.00 55.46  ? 13  GLU B C   1 
ATOM   263 O  O   . GLU B 2 13 ? 8.636  -3.250  -11.213 1.00 48.46  ? 13  GLU B O   1 
ATOM   264 C  CB  . GLU B 2 13 ? 6.379  -1.252  -12.204 1.00 44.48  ? 13  GLU B CB  1 
ATOM   265 C  CG  . GLU B 2 13 ? 5.884  -2.086  -13.372 1.00 50.83  ? 13  GLU B CG  1 
ATOM   266 C  CD  . GLU B 2 13 ? 4.380  -2.273  -13.353 0.00 51.05  ? 13  GLU B CD  1 
ATOM   267 O  OE1 . GLU B 2 13 ? 3.707  -1.599  -12.546 1.00 49.18  ? 13  GLU B OE1 1 
ATOM   268 O  OE2 . GLU B 2 13 ? 3.871  -3.097  -14.142 0.00 50.79  ? 13  GLU B OE2 1 
ATOM   269 N  N   . ALA B 2 14 ? 9.001  -2.887  -13.407 1.00 51.99  ? 14  ALA B N   1 
ATOM   270 C  CA  . ALA B 2 14 ? 9.769  -4.116  -13.558 1.00 51.41  ? 14  ALA B CA  1 
ATOM   271 C  C   . ALA B 2 14 ? 11.151 -3.979  -12.934 1.00 53.58  ? 14  ALA B C   1 
ATOM   272 O  O   . ALA B 2 14 ? 11.614 -4.888  -12.235 1.00 49.87  ? 14  ALA B O   1 
ATOM   273 C  CB  . ALA B 2 14 ? 9.882  -4.490  -15.035 1.00 56.91  ? 14  ALA B CB  1 
ATOM   274 N  N   . LEU B 2 15 ? 11.818 -2.845  -13.164 1.00 50.85  ? 15  LEU B N   1 
ATOM   275 C  CA  . LEU B 2 15 ? 13.145 -2.639  -12.594 1.00 54.65  ? 15  LEU B CA  1 
ATOM   276 C  C   . LEU B 2 15 ? 13.088 -2.577  -11.074 1.00 48.34  ? 15  LEU B C   1 
ATOM   277 O  O   . LEU B 2 15 ? 13.997 -3.067  -10.393 1.00 54.89  ? 15  LEU B O   1 
ATOM   278 C  CB  . LEU B 2 15 ? 13.773 -1.365  -13.162 1.00 55.78  ? 15  LEU B CB  1 
ATOM   279 C  CG  . LEU B 2 15 ? 14.068 -1.341  -14.664 1.00 54.74  ? 15  LEU B CG  1 
ATOM   280 C  CD1 . LEU B 2 15 ? 14.842 -0.086  -15.040 1.00 53.38  ? 15  LEU B CD1 1 
ATOM   281 C  CD2 . LEU B 2 15 ? 14.818 -2.593  -15.099 1.00 55.85  ? 15  LEU B CD2 1 
ATOM   282 N  N   . TYR B 2 16 ? 12.032 -1.974  -10.521 1.00 50.36  ? 16  TYR B N   1 
ATOM   283 C  CA  . TYR B 2 16 ? 11.898 -1.916  -9.069  1.00 49.74  ? 16  TYR B CA  1 
ATOM   284 C  C   . TYR B 2 16 ? 11.786 -3.312  -8.468  1.00 48.70  ? 16  TYR B C   1 
ATOM   285 O  O   . TYR B 2 16 ? 12.434 -3.616  -7.460  1.00 51.53  ? 16  TYR B O   1 
ATOM   286 C  CB  . TYR B 2 16 ? 10.686 -1.068  -8.680  1.00 47.22  ? 16  TYR B CB  1 
ATOM   287 C  CG  . TYR B 2 16 ? 10.399 -1.072  -7.194  1.00 47.57  ? 16  TYR B CG  1 
ATOM   288 C  CD1 . TYR B 2 16 ? 11.062 -0.205  -6.337  1.00 46.88  ? 16  TYR B CD1 1 
ATOM   289 C  CD2 . TYR B 2 16 ? 9.468  -1.948  -6.648  1.00 46.15  ? 16  TYR B CD2 1 
ATOM   290 C  CE1 . TYR B 2 16 ? 10.805 -0.209  -4.978  1.00 47.22  ? 16  TYR B CE1 1 
ATOM   291 C  CE2 . TYR B 2 16 ? 9.209  -1.960  -5.292  1.00 46.04  ? 16  TYR B CE2 1 
ATOM   292 C  CZ  . TYR B 2 16 ? 9.878  -1.088  -4.461  1.00 46.72  ? 16  TYR B CZ  1 
ATOM   293 O  OH  . TYR B 2 16 ? 9.619  -1.095  -3.109  1.00 41.92  ? 16  TYR B OH  1 
ATOM   294 N  N   . LEU B 2 17 ? 10.972 -4.177  -9.077  1.00 51.41  ? 17  LEU B N   1 
ATOM   295 C  CA  . LEU B 2 17 ? 10.805 -5.527  -8.548  1.00 46.42  ? 17  LEU B CA  1 
ATOM   296 C  C   . LEU B 2 17 ? 12.046 -6.378  -8.780  1.00 51.20  ? 17  LEU B C   1 
ATOM   297 O  O   . LEU B 2 17 ? 12.329 -7.288  -7.992  1.00 51.45  ? 17  LEU B O   1 
ATOM   298 C  CB  . LEU B 2 17 ? 9.582  -6.194  -9.180  1.00 44.27  ? 17  LEU B CB  1 
ATOM   299 C  CG  . LEU B 2 17 ? 9.119  -7.513  -8.554  1.00 44.49  ? 17  LEU B CG  1 
ATOM   300 C  CD1 . LEU B 2 17 ? 8.424  -7.260  -7.222  1.00 43.54  ? 17  LEU B CD1 1 
ATOM   301 C  CD2 . LEU B 2 17 ? 8.212  -8.281  -9.501  1.00 45.70  ? 17  LEU B CD2 1 
ATOM   302 N  N   . VAL B 2 18 ? 12.799 -6.098  -9.841  1.00 56.29  ? 18  VAL B N   1 
ATOM   303 C  CA  . VAL B 2 18 ? 13.934 -6.944  -10.192 1.00 60.07  ? 18  VAL B CA  1 
ATOM   304 C  C   . VAL B 2 18 ? 15.154 -6.604  -9.344  1.00 59.94  ? 18  VAL B C   1 
ATOM   305 O  O   . VAL B 2 18 ? 15.782 -7.490  -8.753  1.00 62.77  ? 18  VAL B O   1 
ATOM   306 C  CB  . VAL B 2 18 ? 14.236 -6.825  -11.697 1.00 59.13  ? 18  VAL B CB  1 
ATOM   307 C  CG1 . VAL B 2 18 ? 15.647 -7.278  -11.986 1.00 60.69  ? 18  VAL B CG1 1 
ATOM   308 C  CG2 . VAL B 2 18 ? 13.238 -7.647  -12.503 1.00 57.79  ? 18  VAL B CG2 1 
ATOM   309 N  N   . CYS B 2 19 ? 15.510 -5.319  -9.268  1.00 63.52  ? 19  CYS B N   1 
ATOM   310 C  CA  . CYS B 2 19 ? 16.722 -4.928  -8.555  1.00 60.90  ? 19  CYS B CA  1 
ATOM   311 C  C   . CYS B 2 19 ? 16.547 -5.032  -7.043  1.00 63.43  ? 19  CYS B C   1 
ATOM   312 O  O   . CYS B 2 19 ? 17.423 -5.554  -6.345  1.00 66.43  ? 19  CYS B O   1 
ATOM   313 C  CB  . CYS B 2 19 ? 17.130 -3.511  -8.954  1.00 64.27  ? 19  CYS B CB  1 
ATOM   314 S  SG  . CYS B 2 19 ? 17.258 -3.264  -10.740 1.00 61.67  ? 19  CYS B SG  1 
ATOM   315 N  N   . GLY B 2 20 ? 15.425 -4.544  -6.521  1.00 70.84  ? 20  GLY B N   1 
ATOM   316 C  CA  . GLY B 2 20 ? 15.180 -4.592  -5.093  1.00 67.61  ? 20  GLY B CA  1 
ATOM   317 C  C   . GLY B 2 20 ? 16.048 -3.631  -4.308  1.00 65.71  ? 20  GLY B C   1 
ATOM   318 O  O   . GLY B 2 20 ? 15.947 -2.413  -4.483  1.00 65.00  ? 20  GLY B O   1 
ATOM   319 N  N   . GLU B 2 21 ? 16.911 -4.166  -3.440  1.00 71.47  ? 21  GLU B N   1 
ATOM   320 C  CA  . GLU B 2 21 ? 17.795 -3.319  -2.647  0.00 73.82  ? 21  GLU B CA  1 
ATOM   321 C  C   . GLU B 2 21 ? 18.887 -2.671  -3.489  1.00 82.01  ? 21  GLU B C   1 
ATOM   322 O  O   . GLU B 2 21 ? 19.449 -1.653  -3.072  1.00 82.38  ? 21  GLU B O   1 
ATOM   323 C  CB  . GLU B 2 21 ? 18.433 -4.127  -1.514  1.00 67.61  ? 21  GLU B CB  1 
ATOM   324 C  CG  . GLU B 2 21 ? 17.441 -4.721  -0.524  1.00 62.18  ? 21  GLU B CG  1 
ATOM   325 C  CD  . GLU B 2 21 ? 18.120 -5.438  0.632   1.00 51.27  ? 21  GLU B CD  1 
ATOM   326 O  OE1 . GLU B 2 21 ? 19.334 -5.222  0.843   1.00 44.95  ? 21  GLU B OE1 1 
ATOM   327 O  OE2 . GLU B 2 21 ? 17.439 -6.219  1.329   1.00 46.59  ? 21  GLU B OE2 1 
ATOM   328 N  N   . ARG B 2 22 ? 19.205 -3.243  -4.652  1.00 78.88  ? 22  ARG B N   1 
ATOM   329 C  CA  . ARG B 2 22 ? 20.248 -2.678  -5.504  1.00 86.83  ? 22  ARG B CA  1 
ATOM   330 C  C   . ARG B 2 22 ? 19.831 -1.327  -6.073  1.00 91.46  ? 22  ARG B C   1 
ATOM   331 O  O   . ARG B 2 22 ? 20.617 -0.374  -6.077  1.00 94.86  ? 22  ARG B O   1 
ATOM   332 C  CB  . ARG B 2 22 ? 20.585 -3.653  -6.632  1.00 78.89  ? 22  ARG B CB  1 
ATOM   333 C  CG  . ARG B 2 22 ? 21.333 -4.892  -6.176  1.00 76.88  ? 22  ARG B CG  1 
ATOM   334 C  CD  A ARG B 2 22 ? 21.497 -5.882  -7.317  0.59 69.43  ? 22  ARG B CD  1 
ATOM   335 C  CD  B ARG B 2 22 ? 21.489 -5.897  -7.304  0.41 74.95  ? 22  ARG B CD  1 
ATOM   336 N  NE  A ARG B 2 22 ? 20.232 -6.513  -7.673  0.59 71.55  ? 22  ARG B NE  1 
ATOM   337 N  NE  B ARG B 2 22 ? 22.243 -5.349  -8.426  0.41 69.96  ? 22  ARG B NE  1 
ATOM   338 C  CZ  A ARG B 2 22 ? 20.087 -7.413  -8.636  0.59 70.65  ? 22  ARG B CZ  1 
ATOM   339 C  CZ  B ARG B 2 22 ? 22.596 -6.042  -9.499  0.41 68.94  ? 22  ARG B CZ  1 
ATOM   340 N  NH1 A ARG B 2 22 ? 21.111 -7.801  -9.379  0.59 69.81  ? 22  ARG B NH1 1 
ATOM   341 N  NH1 B ARG B 2 22 ? 22.285 -7.321  -9.630  0.41 69.39  ? 22  ARG B NH1 1 
ATOM   342 N  NH2 A ARG B 2 22 ? 18.885 -7.937  -8.858  0.59 69.14  ? 22  ARG B NH2 1 
ATOM   343 N  NH2 B ARG B 2 22 ? 23.279 -5.436  -10.466 0.41 68.86  ? 22  ARG B NH2 1 
ATOM   344 N  N   . GLY B 2 23 ? 18.596 -1.225  -6.553  1.00 99.03  ? 23  GLY B N   1 
ATOM   345 C  CA  . GLY B 2 23 ? 18.140 -0.038  -7.240  1.00 97.37  ? 23  GLY B CA  1 
ATOM   346 C  C   . GLY B 2 23 ? 18.398 -0.103  -8.735  1.00 104.36 ? 23  GLY B C   1 
ATOM   347 O  O   . GLY B 2 23 ? 19.086 -0.987  -9.252  1.00 100.14 ? 23  GLY B O   1 
ATOM   348 N  N   . PHE B 2 24 ? 17.834 0.871   -9.445  1.00 76.19  ? 24  PHE B N   1 
ATOM   349 C  CA  . PHE B 2 24 ? 17.887 0.883   -10.899 1.00 65.94  ? 24  PHE B CA  1 
ATOM   350 C  C   . PHE B 2 24 ? 18.050 2.310   -11.397 1.00 61.25  ? 24  PHE B C   1 
ATOM   351 O  O   . PHE B 2 24 ? 17.774 3.278   -10.683 1.00 61.35  ? 24  PHE B O   1 
ATOM   352 C  CB  . PHE B 2 24 ? 16.627 0.259   -11.512 1.00 61.75  ? 24  PHE B CB  1 
ATOM   353 C  CG  . PHE B 2 24 ? 15.360 0.979   -11.148 1.00 58.18  ? 24  PHE B CG  1 
ATOM   354 C  CD1 . PHE B 2 24 ? 14.849 1.973   -11.968 1.00 53.55  ? 24  PHE B CD1 1 
ATOM   355 C  CD2 . PHE B 2 24 ? 14.682 0.665   -9.982  1.00 57.54  ? 24  PHE B CD2 1 
ATOM   356 C  CE1 . PHE B 2 24 ? 13.687 2.637   -11.632 1.00 51.29  ? 24  PHE B CE1 1 
ATOM   357 C  CE2 . PHE B 2 24 ? 13.519 1.325   -9.642  1.00 52.76  ? 24  PHE B CE2 1 
ATOM   358 C  CZ  . PHE B 2 24 ? 13.021 2.313   -10.468 1.00 51.35  ? 24  PHE B CZ  1 
ATOM   359 N  N   . PHE B 2 25 ? 18.503 2.427   -12.642 1.00 58.19  ? 25  PHE B N   1 
ATOM   360 C  CA  . PHE B 2 25 ? 18.604 3.705   -13.331 1.00 55.97  ? 25  PHE B CA  1 
ATOM   361 C  C   . PHE B 2 25 ? 17.761 3.649   -14.597 1.00 49.92  ? 25  PHE B C   1 
ATOM   362 O  O   . PHE B 2 25 ? 17.873 2.701   -15.382 1.00 51.38  ? 25  PHE B O   1 
ATOM   363 C  CB  . PHE B 2 25 ? 20.063 4.047   -13.662 1.00 54.98  ? 25  PHE B CB  1 
ATOM   364 C  CG  . PHE B 2 25 ? 20.743 3.044   -14.555 1.00 56.80  ? 25  PHE B CG  1 
ATOM   365 C  CD1 . PHE B 2 25 ? 21.297 1.889   -14.029 1.00 57.54  ? 25  PHE B CD1 1 
ATOM   366 C  CD2 . PHE B 2 25 ? 20.842 3.265   -15.920 1.00 56.32  ? 25  PHE B CD2 1 
ATOM   367 C  CE1 . PHE B 2 25 ? 21.926 0.968   -14.847 1.00 56.42  ? 25  PHE B CE1 1 
ATOM   368 C  CE2 . PHE B 2 25 ? 21.469 2.347   -16.743 1.00 58.40  ? 25  PHE B CE2 1 
ATOM   369 C  CZ  . PHE B 2 25 ? 22.012 1.198   -16.205 1.00 57.62  ? 25  PHE B CZ  1 
ATOM   370 N  N   . TYR B 2 26 ? 16.907 4.652   -14.782 1.00 47.45  ? 26  TYR B N   1 
ATOM   371 C  CA  . TYR B 2 26 ? 16.050 4.760   -15.957 1.00 48.05  ? 26  TYR B CA  1 
ATOM   372 C  C   . TYR B 2 26 ? 16.560 5.919   -16.803 1.00 47.78  ? 26  TYR B C   1 
ATOM   373 O  O   . TYR B 2 26 ? 16.491 7.079   -16.383 1.00 51.20  ? 26  TYR B O   1 
ATOM   374 C  CB  . TYR B 2 26 ? 14.590 4.964   -15.559 1.00 48.18  ? 26  TYR B CB  1 
ATOM   375 C  CG  . TYR B 2 26 ? 13.635 4.967   -16.732 1.00 46.76  ? 26  TYR B CG  1 
ATOM   376 C  CD1 . TYR B 2 26 ? 13.263 3.780   -17.349 1.00 48.66  ? 26  TYR B CD1 1 
ATOM   377 C  CD2 . TYR B 2 26 ? 13.105 6.154   -17.222 1.00 47.18  ? 26  TYR B CD2 1 
ATOM   378 C  CE1 . TYR B 2 26 ? 12.392 3.773   -18.424 1.00 51.19  ? 26  TYR B CE1 1 
ATOM   379 C  CE2 . TYR B 2 26 ? 12.232 6.158   -18.297 1.00 48.60  ? 26  TYR B CE2 1 
ATOM   380 C  CZ  . TYR B 2 26 ? 11.879 4.964   -18.894 1.00 50.55  ? 26  TYR B CZ  1 
ATOM   381 O  OH  . TYR B 2 26 ? 11.011 4.959   -19.963 1.00 49.11  ? 26  TYR B OH  1 
ATOM   382 N  N   . THR B 2 27 ? 17.076 5.603   -17.990 1.00 45.20  ? 27  THR B N   1 
ATOM   383 C  CA  . THR B 2 27 ? 17.672 6.603   -18.873 1.00 42.61  ? 27  THR B CA  1 
ATOM   384 C  C   . THR B 2 27 ? 17.231 6.336   -20.306 1.00 41.99  ? 27  THR B C   1 
ATOM   385 O  O   . THR B 2 27 ? 17.900 5.614   -21.054 1.00 37.50  ? 27  THR B O   1 
ATOM   386 C  CB  . THR B 2 27 ? 19.198 6.600   -18.762 1.00 45.56  ? 27  THR B CB  1 
ATOM   387 O  OG1 . THR B 2 27 ? 19.579 6.759   -17.390 1.00 47.07  ? 27  THR B OG1 1 
ATOM   388 C  CG2 . THR B 2 27 ? 19.795 7.736   -19.576 1.00 44.72  ? 27  THR B CG2 1 
ATOM   389 N  N   . PRO B 2 28 ? 16.086 6.892   -20.716 1.00 39.27  ? 28  PRO B N   1 
ATOM   390 C  CA  . PRO B 2 28 ? 15.710 6.780   -22.135 1.00 38.27  ? 28  PRO B CA  1 
ATOM   391 C  C   . PRO B 2 28 ? 16.580 7.632   -23.040 1.00 37.62  ? 28  PRO B C   1 
ATOM   392 O  O   . PRO B 2 28 ? 16.929 7.197   -24.145 1.00 38.48  ? 28  PRO B O   1 
ATOM   393 C  CB  . PRO B 2 28 ? 14.245 7.238   -22.144 1.00 41.19  ? 28  PRO B CB  1 
ATOM   394 C  CG  . PRO B 2 28 ? 14.129 8.144   -20.966 1.00 41.91  ? 28  PRO B CG  1 
ATOM   395 C  CD  . PRO B 2 28 ? 15.070 7.603   -19.922 1.00 43.79  ? 28  PRO B CD  1 
ATOM   396 N  N   . LYS B 2 29 ? 16.944 8.833   -22.601 0.00 38.74  ? 29  LYS B N   1 
ATOM   397 C  CA  . LYS B 2 29 ? 17.813 9.714   -23.374 0.00 36.45  ? 29  LYS B CA  1 
ATOM   398 C  C   . LYS B 2 29 ? 19.045 10.106  -22.565 0.00 35.27  ? 29  LYS B C   1 
ATOM   399 O  O   . LYS B 2 29 ? 20.147 10.224  -23.100 0.00 35.37  ? 29  LYS B O   1 
ATOM   400 C  CB  . LYS B 2 29 ? 17.056 10.970  -23.816 0.00 35.87  ? 29  LYS B CB  1 
ATOM   401 C  CG  . LYS B 2 29 ? 16.762 11.033  -25.307 0.00 35.33  ? 29  LYS B CG  1 
ATOM   402 C  CD  . LYS B 2 29 ? 15.931 9.845   -25.758 0.00 36.92  ? 29  LYS B CD  1 
ATOM   403 C  CE  . LYS B 2 29 ? 14.584 9.807   -25.050 0.00 37.79  ? 29  LYS B CE  1 
ATOM   404 N  NZ  . LYS B 2 29 ? 13.830 8.562   -25.363 0.00 38.89  ? 29  LYS B NZ  1 
ATOM   405 O  OXT . LYS B 2 29 ? 18.963 10.311  -21.355 1.00 35.60  ? 29  LYS B OXT 1 
ATOM   406 N  N   . GLY C 1 1  ? 17.388 9.252   2.686   1.00 63.39  ? 1   GLY C N   1 
ATOM   407 C  CA  . GLY C 1 1  ? 17.106 8.934   1.299   1.00 67.63  ? 1   GLY C CA  1 
ATOM   408 C  C   . GLY C 1 1  ? 15.669 9.199   0.895   1.00 74.94  ? 1   GLY C C   1 
ATOM   409 O  O   . GLY C 1 1  ? 14.892 9.769   1.662   1.00 73.18  ? 1   GLY C O   1 
ATOM   410 N  N   . ILE C 1 2  ? 15.321 8.782   -0.325  1.00 85.51  ? 2   ILE C N   1 
ATOM   411 C  CA  . ILE C 1 2  ? 13.964 8.982   -0.828  1.00 84.72  ? 2   ILE C CA  1 
ATOM   412 C  C   . ILE C 1 2  ? 12.959 8.206   0.016   1.00 84.67  ? 2   ILE C C   1 
ATOM   413 O  O   . ILE C 1 2  ? 11.882 8.715   0.350   1.00 84.55  ? 2   ILE C O   1 
ATOM   414 C  CB  . ILE C 1 2  ? 13.886 8.590   -2.316  1.00 85.07  ? 2   ILE C CB  1 
ATOM   415 C  CG1 . ILE C 1 2  ? 12.434 8.583   -2.796  1.00 85.08  ? 2   ILE C CG1 1 
ATOM   416 C  CG2 . ILE C 1 2  ? 14.547 7.237   -2.556  1.00 85.42  ? 2   ILE C CG2 1 
ATOM   417 C  CD1 . ILE C 1 2  ? 12.261 8.047   -4.198  1.00 85.45  ? 2   ILE C CD1 1 
ATOM   418 N  N   . VAL C 1 3  ? 13.296 6.965   0.375   1.00 80.93  ? 3   VAL C N   1 
ATOM   419 C  CA  . VAL C 1 3  ? 12.398 6.147   1.185   1.00 79.81  ? 3   VAL C CA  1 
ATOM   420 C  C   . VAL C 1 3  ? 12.208 6.769   2.563   1.00 78.09  ? 3   VAL C C   1 
ATOM   421 O  O   . VAL C 1 3  ? 11.108 6.742   3.128   1.00 72.70  ? 3   VAL C O   1 
ATOM   422 C  CB  . VAL C 1 3  ? 12.935 4.707   1.284   1.00 79.06  ? 3   VAL C CB  1 
ATOM   423 C  CG1 . VAL C 1 3  ? 11.941 3.822   2.023   1.00 72.43  ? 3   VAL C CG1 1 
ATOM   424 C  CG2 . VAL C 1 3  ? 13.232 4.151   -0.100  1.00 73.51  ? 3   VAL C CG2 1 
ATOM   425 N  N   . GLU C 1 4  ? 13.278 7.333   3.126   1.00 76.99  ? 4   GLU C N   1 
ATOM   426 C  CA  . GLU C 1 4  ? 13.207 7.892   4.472   1.00 73.32  ? 4   GLU C CA  1 
ATOM   427 C  C   . GLU C 1 4  ? 12.311 9.124   4.537   1.00 65.73  ? 4   GLU C C   1 
ATOM   428 O  O   . GLU C 1 4  ? 11.763 9.431   5.604   1.00 67.40  ? 4   GLU C O   1 
ATOM   429 C  CB  . GLU C 1 4  ? 14.615 8.227   4.971   1.00 73.97  ? 4   GLU C CB  1 
ATOM   430 C  CG  . GLU C 1 4  ? 14.685 8.593   6.445   0.00 68.17  ? 4   GLU C CG  1 
ATOM   431 C  CD  . GLU C 1 4  ? 16.109 8.805   6.917   0.00 59.85  ? 4   GLU C CD  1 
ATOM   432 O  OE1 . GLU C 1 4  ? 17.040 8.570   6.115   0.00 58.72  ? 4   GLU C OE1 1 
ATOM   433 O  OE2 . GLU C 1 4  ? 16.299 9.205   8.085   0.00 53.22  ? 4   GLU C OE2 1 
ATOM   434 N  N   . GLN C 1 5  ? 12.140 9.833   3.421   1.00 60.73  ? 5   GLN C N   1 
ATOM   435 C  CA  . GLN C 1 5  ? 11.388 11.084  3.420   1.00 57.23  ? 5   GLN C CA  1 
ATOM   436 C  C   . GLN C 1 5  ? 9.961  10.930  2.906   1.00 56.67  ? 5   GLN C C   1 
ATOM   437 O  O   . GLN C 1 5  ? 9.017  11.384  3.561   1.00 56.75  ? 5   GLN C O   1 
ATOM   438 C  CB  . GLN C 1 5  ? 12.118 12.139  2.583   1.00 59.79  ? 5   GLN C CB  1 
ATOM   439 C  CG  . GLN C 1 5  ? 11.415 13.486  2.561   1.00 56.52  ? 5   GLN C CG  1 
ATOM   440 C  CD  . GLN C 1 5  ? 12.017 14.448  1.555   1.00 58.76  ? 5   GLN C CD  1 
ATOM   441 O  OE1 . GLN C 1 5  ? 13.086 14.197  1.000   1.00 61.53  ? 5   GLN C OE1 1 
ATOM   442 N  NE2 . GLN C 1 5  ? 11.326 15.556  1.311   1.00 58.70  ? 5   GLN C NE2 1 
ATOM   443 N  N   . CYS C 1 6  ? 9.780  10.299  1.745   1.00 56.63  ? 6   CYS C N   1 
ATOM   444 C  CA  . CYS C 1 6  ? 8.472  10.249  1.104   1.00 56.82  ? 6   CYS C CA  1 
ATOM   445 C  C   . CYS C 1 6  ? 7.596  9.101   1.586   1.00 57.04  ? 6   CYS C C   1 
ATOM   446 O  O   . CYS C 1 6  ? 6.377  9.148   1.384   1.00 57.24  ? 6   CYS C O   1 
ATOM   447 C  CB  . CYS C 1 6  ? 8.628  10.160  -0.417  1.00 56.91  ? 6   CYS C CB  1 
ATOM   448 S  SG  . CYS C 1 6  ? 9.384  11.624  -1.152  1.00 59.61  ? 6   CYS C SG  1 
ATOM   449 N  N   . CYS C 1 7  ? 8.174  8.074   2.206   1.00 53.84  ? 7   CYS C N   1 
ATOM   450 C  CA  . CYS C 1 7  ? 7.394  6.987   2.784   1.00 54.94  ? 7   CYS C CA  1 
ATOM   451 C  C   . CYS C 1 7  ? 7.111  7.203   4.266   1.00 56.86  ? 7   CYS C C   1 
ATOM   452 O  O   . CYS C 1 7  ? 6.551  6.317   4.919   1.00 55.01  ? 7   CYS C O   1 
ATOM   453 C  CB  . CYS C 1 7  ? 8.097  5.647   2.566   1.00 54.22  ? 7   CYS C CB  1 
ATOM   454 S  SG  . CYS C 1 7  ? 8.152  5.124   0.828   1.00 43.95  ? 7   CYS C SG  1 
ATOM   455 N  N   . THR C 1 8  ? 7.492  8.357   4.810   1.00 57.15  ? 8   THR C N   1 
ATOM   456 C  CA  . THR C 1 8  ? 7.097  8.770   6.150   1.00 53.89  ? 8   THR C CA  1 
ATOM   457 C  C   . THR C 1 8  ? 6.205  10.001  6.153   1.00 53.93  ? 8   THR C C   1 
ATOM   458 O  O   . THR C 1 8  ? 5.400  10.163  7.073   1.00 54.95  ? 8   THR C O   1 
ATOM   459 C  CB  . THR C 1 8  ? 8.331  9.052   7.015   1.00 53.14  ? 8   THR C CB  1 
ATOM   460 O  OG1 . THR C 1 8  ? 9.026  10.194  6.499   1.00 51.76  ? 8   THR C OG1 1 
ATOM   461 C  CG2 . THR C 1 8  ? 9.266  7.849   7.014   1.00 52.77  ? 8   THR C CG2 1 
ATOM   462 N  N   . SER C 1 9  ? 6.330  10.863  5.145   1.00 54.22  ? 9   SER C N   1 
ATOM   463 C  CA  . SER C 1 9  ? 5.440  11.996  4.948   1.00 53.66  ? 9   SER C CA  1 
ATOM   464 C  C   . SER C 1 9  ? 5.104  12.102  3.468   1.00 49.58  ? 9   SER C C   1 
ATOM   465 O  O   . SER C 1 9  ? 5.871  11.655  2.611   1.00 49.19  ? 9   SER C O   1 
ATOM   466 C  CB  . SER C 1 9  ? 6.067  13.302  5.447   1.00 53.79  ? 9   SER C CB  1 
ATOM   467 O  OG  . SER C 1 9  ? 6.358  13.222  6.831   1.00 50.41  ? 9   SER C OG  1 
ATOM   468 N  N   . ILE C 1 10 ? 3.948  12.697  3.171   1.00 51.40  ? 10  ILE C N   1 
ATOM   469 C  CA  . ILE C 1 10 ? 3.543  12.881  1.782   1.00 50.42  ? 10  ILE C CA  1 
ATOM   470 C  C   . ILE C 1 10 ? 4.511  13.847  1.101   1.00 48.63  ? 10  ILE C C   1 
ATOM   471 O  O   . ILE C 1 10 ? 4.882  14.880  1.667   1.00 45.53  ? 10  ILE C O   1 
ATOM   472 C  CB  . ILE C 1 10 ? 2.091  13.377  1.695   1.00 45.53  ? 10  ILE C CB  1 
ATOM   473 C  CG1 . ILE C 1 10 ? 1.152  12.202  1.409   1.00 45.70  ? 10  ILE C CG1 1 
ATOM   474 C  CG2 . ILE C 1 10 ? 1.931  14.451  0.624   1.00 43.90  ? 10  ILE C CG2 1 
ATOM   475 C  CD1 . ILE C 1 10 ? -0.261 12.616  1.060   1.00 43.90  ? 10  ILE C CD1 1 
ATOM   476 N  N   . CYS C 1 11 ? 4.940  13.488  -0.105  1.00 50.68  ? 11  CYS C N   1 
ATOM   477 C  CA  . CYS C 1 11 ? 5.853  14.311  -0.889  1.00 53.79  ? 11  CYS C CA  1 
ATOM   478 C  C   . CYS C 1 11 ? 5.091  15.005  -2.008  1.00 52.97  ? 11  CYS C C   1 
ATOM   479 O  O   . CYS C 1 11 ? 4.347  14.363  -2.755  1.00 53.00  ? 11  CYS C O   1 
ATOM   480 C  CB  . CYS C 1 11 ? 6.989  13.466  -1.469  1.00 57.16  ? 11  CYS C CB  1 
ATOM   481 S  SG  . CYS C 1 11 ? 8.357  13.169  -0.323  1.00 44.34  ? 11  CYS C SG  1 
ATOM   482 N  N   . SER C 1 12 ? 5.278  16.315  -2.120  1.00 56.05  ? 12  SER C N   1 
ATOM   483 C  CA  . SER C 1 12 ? 4.662  17.083  -3.189  1.00 55.90  ? 12  SER C CA  1 
ATOM   484 C  C   . SER C 1 12 ? 5.490  16.975  -4.467  1.00 58.84  ? 12  SER C C   1 
ATOM   485 O  O   . SER C 1 12 ? 6.665  16.598  -4.447  1.00 58.18  ? 12  SER C O   1 
ATOM   486 C  CB  . SER C 1 12 ? 4.509  18.551  -2.786  1.00 56.04  ? 12  SER C CB  1 
ATOM   487 O  OG  . SER C 1 12 ? 5.759  19.114  -2.435  1.00 58.63  ? 12  SER C OG  1 
ATOM   488 N  N   . LEU C 1 13 ? 4.857  17.332  -5.589  1.00 62.95  ? 13  LEU C N   1 
ATOM   489 C  CA  . LEU C 1 13 ? 5.485  17.157  -6.897  1.00 66.98  ? 13  LEU C CA  1 
ATOM   490 C  C   . LEU C 1 13 ? 6.843  17.843  -6.975  1.00 65.61  ? 13  LEU C C   1 
ATOM   491 O  O   . LEU C 1 13 ? 7.745  17.352  -7.664  1.00 68.87  ? 13  LEU C O   1 
ATOM   492 C  CB  . LEU C 1 13 ? 4.560  17.685  -7.996  1.00 65.43  ? 13  LEU C CB  1 
ATOM   493 C  CG  . LEU C 1 13 ? 3.205  16.985  -8.135  1.00 59.32  ? 13  LEU C CG  1 
ATOM   494 C  CD1 . LEU C 1 13 ? 2.300  17.743  -9.092  1.00 55.27  ? 13  LEU C CD1 1 
ATOM   495 C  CD2 . LEU C 1 13 ? 3.386  15.547  -8.596  1.00 54.56  ? 13  LEU C CD2 1 
ATOM   496 N  N   . TYR C 1 14 ? 7.011  18.972  -6.284  1.00 73.43  ? 14  TYR C N   1 
ATOM   497 C  CA  . TYR C 1 14 ? 8.319  19.617  -6.238  1.00 73.36  ? 14  TYR C CA  1 
ATOM   498 C  C   . TYR C 1 14 ? 9.338  18.750  -5.509  1.00 72.95  ? 14  TYR C C   1 
ATOM   499 O  O   . TYR C 1 14 ? 10.496 18.655  -5.932  1.00 72.93  ? 14  TYR C O   1 
ATOM   500 C  CB  . TYR C 1 14 ? 8.207  20.985  -5.569  1.00 73.55  ? 14  TYR C CB  1 
ATOM   501 C  CG  . TYR C 1 14 ? 7.078  21.826  -6.107  1.00 75.13  ? 14  TYR C CG  1 
ATOM   502 C  CD1 . TYR C 1 14 ? 7.213  22.522  -7.300  1.00 77.92  ? 14  TYR C CD1 1 
ATOM   503 C  CD2 . TYR C 1 14 ? 5.874  21.922  -5.423  1.00 74.14  ? 14  TYR C CD2 1 
ATOM   504 C  CE1 . TYR C 1 14 ? 6.181  23.292  -7.797  1.00 81.61  ? 14  TYR C CE1 1 
ATOM   505 C  CE2 . TYR C 1 14 ? 4.836  22.689  -5.910  1.00 78.32  ? 14  TYR C CE2 1 
ATOM   506 C  CZ  . TYR C 1 14 ? 4.995  23.372  -7.098  1.00 82.38  ? 14  TYR C CZ  1 
ATOM   507 O  OH  . TYR C 1 14 ? 3.962  24.138  -7.587  1.00 88.34  ? 14  TYR C OH  1 
ATOM   508 N  N   . GLN C 1 15 ? 8.927  18.120  -4.405  1.00 66.30  ? 15  GLN C N   1 
ATOM   509 C  CA  . GLN C 1 15 ? 9.848  17.275  -3.651  1.00 68.88  ? 15  GLN C CA  1 
ATOM   510 C  C   . GLN C 1 15 ? 10.277 16.061  -4.465  1.00 67.54  ? 15  GLN C C   1 
ATOM   511 O  O   . GLN C 1 15 ? 11.445 15.657  -4.420  1.00 65.27  ? 15  GLN C O   1 
ATOM   512 C  CB  . GLN C 1 15 ? 9.210  16.852  -2.327  1.00 67.35  ? 15  GLN C CB  1 
ATOM   513 C  CG  . GLN C 1 15 ? 9.105  17.984  -1.312  1.00 65.08  ? 15  GLN C CG  1 
ATOM   514 C  CD  . GLN C 1 15 ? 8.463  17.553  -0.007  1.00 61.06  ? 15  GLN C CD  1 
ATOM   515 O  OE1 . GLN C 1 15 ? 7.449  16.858  -0.000  1.00 59.22  ? 15  GLN C OE1 1 
ATOM   516 N  NE2 . GLN C 1 15 ? 9.054  17.967  1.107   1.00 63.87  ? 15  GLN C NE2 1 
ATOM   517 N  N   . LEU C 1 16 ? 9.347  15.463  -5.215  1.00 68.38  ? 16  LEU C N   1 
ATOM   518 C  CA  . LEU C 1 16 ? 9.721  14.367  -6.102  1.00 67.75  ? 16  LEU C CA  1 
ATOM   519 C  C   . LEU C 1 16 ? 10.662 14.841  -7.202  1.00 67.59  ? 16  LEU C C   1 
ATOM   520 O  O   . LEU C 1 16 ? 11.531 14.081  -7.647  1.00 64.80  ? 16  LEU C O   1 
ATOM   521 C  CB  . LEU C 1 16 ? 8.474  13.721  -6.709  1.00 66.17  ? 16  LEU C CB  1 
ATOM   522 C  CG  . LEU C 1 16 ? 7.619  12.822  -5.809  1.00 64.47  ? 16  LEU C CG  1 
ATOM   523 C  CD1 . LEU C 1 16 ? 6.493  13.595  -5.148  1.00 64.20  ? 16  LEU C CD1 1 
ATOM   524 C  CD2 . LEU C 1 16 ? 7.063  11.648  -6.596  1.00 60.71  ? 16  LEU C CD2 1 
ATOM   525 N  N   . GLU C 1 17 ? 10.508 16.091  -7.649  1.00 68.47  ? 17  GLU C N   1 
ATOM   526 C  CA  . GLU C 1 17 ? 11.388 16.632  -8.677  1.00 65.34  ? 17  GLU C CA  1 
ATOM   527 C  C   . GLU C 1 17 ? 12.829 16.749  -8.198  1.00 61.66  ? 17  GLU C C   1 
ATOM   528 O  O   . GLU C 1 17 ? 13.746 16.737  -9.024  1.00 60.46  ? 17  GLU C O   1 
ATOM   529 C  CB  . GLU C 1 17 ? 10.874 17.998  -9.139  1.00 67.67  ? 17  GLU C CB  1 
ATOM   530 C  CG  . GLU C 1 17 ? 11.536 18.537  -10.394 1.00 72.74  ? 17  GLU C CG  1 
ATOM   531 C  CD  . GLU C 1 17 ? 10.895 19.820  -10.890 1.00 70.72  ? 17  GLU C CD  1 
ATOM   532 O  OE1 . GLU C 1 17 ? 10.153 20.457  -10.114 1.00 60.91  ? 17  GLU C OE1 1 
ATOM   533 O  OE2 . GLU C 1 17 ? 11.128 20.183  -12.063 1.00 75.37  ? 17  GLU C OE2 1 
ATOM   534 N  N   . ASN C 1 18 ? 13.050 16.855  -6.885  1.00 67.56  ? 18  ASN C N   1 
ATOM   535 C  CA  . ASN C 1 18 ? 14.410 16.887  -6.360  1.00 63.32  ? 18  ASN C CA  1 
ATOM   536 C  C   . ASN C 1 18 ? 15.155 15.578  -6.601  1.00 59.58  ? 18  ASN C C   1 
ATOM   537 O  O   . ASN C 1 18 ? 16.389 15.569  -6.577  1.00 56.36  ? 18  ASN C O   1 
ATOM   538 C  CB  . ASN C 1 18 ? 14.391 17.206  -4.864  1.00 60.33  ? 18  ASN C CB  1 
ATOM   539 C  CG  . ASN C 1 18 ? 13.886 18.605  -4.568  1.00 59.22  ? 18  ASN C CG  1 
ATOM   540 O  OD1 . ASN C 1 18 ? 13.245 19.238  -5.405  1.00 57.89  ? 18  ASN C OD1 1 
ATOM   541 N  ND2 . ASN C 1 18 ? 14.174 19.093  -3.367  1.00 63.60  ? 18  ASN C ND2 1 
ATOM   542 N  N   . TYR C 1 19 ? 14.440 14.479  -6.835  1.00 60.01  ? 19  TYR C N   1 
ATOM   543 C  CA  . TYR C 1 19 ? 15.066 13.182  -7.056  1.00 60.12  ? 19  TYR C CA  1 
ATOM   544 C  C   . TYR C 1 19 ? 15.360 12.897  -8.523  1.00 60.43  ? 19  TYR C C   1 
ATOM   545 O  O   . TYR C 1 19 ? 15.963 11.862  -8.828  1.00 60.62  ? 19  TYR C O   1 
ATOM   546 C  CB  . TYR C 1 19 ? 14.179 12.065  -6.493  1.00 60.99  ? 19  TYR C CB  1 
ATOM   547 C  CG  . TYR C 1 19 ? 13.822 12.240  -5.034  1.00 65.26  ? 19  TYR C CG  1 
ATOM   548 C  CD1 . TYR C 1 19 ? 14.741 11.955  -4.035  1.00 65.08  ? 19  TYR C CD1 1 
ATOM   549 C  CD2 . TYR C 1 19 ? 12.563 12.687  -4.656  1.00 64.84  ? 19  TYR C CD2 1 
ATOM   550 C  CE1 . TYR C 1 19 ? 14.421 12.112  -2.702  1.00 67.85  ? 19  TYR C CE1 1 
ATOM   551 C  CE2 . TYR C 1 19 ? 12.232 12.846  -3.325  1.00 67.28  ? 19  TYR C CE2 1 
ATOM   552 C  CZ  . TYR C 1 19 ? 13.165 12.557  -2.351  1.00 67.45  ? 19  TYR C CZ  1 
ATOM   553 O  OH  . TYR C 1 19 ? 12.843 12.714  -1.022  1.00 64.39  ? 19  TYR C OH  1 
ATOM   554 N  N   . CYS C 1 20 ? 14.951 13.778  -9.432  1.00 61.42  ? 20  CYS C N   1 
ATOM   555 C  CA  . CYS C 1 20 ? 15.155 13.555  -10.853 1.00 59.41  ? 20  CYS C CA  1 
ATOM   556 C  C   . CYS C 1 20 ? 16.601 13.854  -11.245 1.00 60.95  ? 20  CYS C C   1 
ATOM   557 O  O   . CYS C 1 20 ? 17.365 14.475  -10.502 1.00 57.91  ? 20  CYS C O   1 
ATOM   558 C  CB  . CYS C 1 20 ? 14.197 14.417  -11.673 1.00 60.18  ? 20  CYS C CB  1 
ATOM   559 S  SG  . CYS C 1 20 ? 12.458 14.187  -11.255 1.00 53.95  ? 20  CYS C SG  1 
ATOM   560 N  N   . ASN C 1 21 ? 16.970 13.397  -12.437 1.00 60.75  ? 21  ASN C N   1 
ATOM   561 C  CA  . ASN C 1 21 ? 18.290 13.671  -12.993 1.00 65.75  ? 21  ASN C CA  1 
ATOM   562 C  C   . ASN C 1 21 ? 18.320 15.032  -13.681 1.00 66.87  ? 21  ASN C C   1 
ATOM   563 O  O   . ASN C 1 21 ? 19.088 15.249  -14.619 1.00 69.38  ? 21  ASN C O   1 
ATOM   564 C  CB  . ASN C 1 21 ? 18.696 12.573  -13.979 1.00 68.94  ? 21  ASN C CB  1 
ATOM   565 C  CG  . ASN C 1 21 ? 19.242 11.343  -13.286 1.00 63.36  ? 21  ASN C CG  1 
ATOM   566 O  OD1 . ASN C 1 21 ? 20.052 11.445  -12.365 1.00 61.47  ? 21  ASN C OD1 1 
ATOM   567 N  ND2 . ASN C 1 21 ? 18.798 10.171  -13.722 1.00 63.09  ? 21  ASN C ND2 1 
ATOM   568 O  OXT . ASN C 1 21 ? 17.574 15.943  -13.321 1.00 66.64  ? 21  ASN C OXT 1 
ATOM   569 N  N   . PHE D 2 1  ? 11.091 -5.765  5.092   1.00 43.78  ? 1   PHE D N   1 
ATOM   570 C  CA  . PHE D 2 1  ? 9.777  -5.323  5.540   1.00 51.01  ? 1   PHE D CA  1 
ATOM   571 C  C   . PHE D 2 1  ? 8.862  -5.053  4.345   1.00 44.26  ? 1   PHE D C   1 
ATOM   572 O  O   . PHE D 2 1  ? 9.311  -4.583  3.300   1.00 44.48  ? 1   PHE D O   1 
ATOM   573 C  CB  . PHE D 2 1  ? 9.904  -4.080  6.421   1.00 51.50  ? 1   PHE D CB  1 
ATOM   574 C  CG  . PHE D 2 1  ? 8.590  -3.491  6.820   1.00 49.51  ? 1   PHE D CG  1 
ATOM   575 C  CD1 . PHE D 2 1  ? 7.710  -4.204  7.616   1.00 51.59  ? 1   PHE D CD1 1 
ATOM   576 C  CD2 . PHE D 2 1  ? 8.230  -2.227  6.394   1.00 48.90  ? 1   PHE D CD2 1 
ATOM   577 C  CE1 . PHE D 2 1  ? 6.494  -3.664  7.979   1.00 51.21  ? 1   PHE D CE1 1 
ATOM   578 C  CE2 . PHE D 2 1  ? 7.019  -1.683  6.751   1.00 46.04  ? 1   PHE D CE2 1 
ATOM   579 C  CZ  . PHE D 2 1  ? 6.149  -2.400  7.548   1.00 48.53  ? 1   PHE D CZ  1 
ATOM   580 N  N   . VAL D 2 2  ? 7.574  -5.348  4.510   1.00 44.85  ? 2   VAL D N   1 
ATOM   581 C  CA  . VAL D 2 2  ? 6.663  -5.393  3.369   1.00 52.32  ? 2   VAL D CA  1 
ATOM   582 C  C   . VAL D 2 2  ? 6.128  -4.006  3.037   1.00 47.07  ? 2   VAL D C   1 
ATOM   583 O  O   . VAL D 2 2  ? 6.285  -3.518  1.912   1.00 48.36  ? 2   VAL D O   1 
ATOM   584 C  CB  . VAL D 2 2  ? 5.513  -6.380  3.637   1.00 66.92  ? 2   VAL D CB  1 
ATOM   585 C  CG1 . VAL D 2 2  ? 4.859  -6.796  2.331   1.00 64.90  ? 2   VAL D CG1 1 
ATOM   586 C  CG2 . VAL D 2 2  ? 6.017  -7.587  4.394   1.00 60.49  ? 2   VAL D CG2 1 
ATOM   587 N  N   . ASN D 2 3  ? 5.474  -3.356  4.004   1.00 50.72  ? 3   ASN D N   1 
ATOM   588 C  CA  . ASN D 2 3  ? 4.793  -2.095  3.721   1.00 48.23  ? 3   ASN D CA  1 
ATOM   589 C  C   . ASN D 2 3  ? 5.755  -1.007  3.256   1.00 46.30  ? 3   ASN D C   1 
ATOM   590 O  O   . ASN D 2 3  ? 5.325  -0.054  2.599   1.00 45.32  ? 3   ASN D O   1 
ATOM   591 C  CB  . ASN D 2 3  ? 4.017  -1.632  4.956   1.00 49.14  ? 3   ASN D CB  1 
ATOM   592 C  CG  . ASN D 2 3  ? 3.034  -0.522  4.648   0.00 48.51  ? 3   ASN D CG  1 
ATOM   593 O  OD1 . ASN D 2 3  ? 3.367  0.659   4.738   0.00 48.74  ? 3   ASN D OD1 1 
ATOM   594 N  ND2 . ASN D 2 3  ? 1.812  -0.897  4.287   0.00 46.66  ? 3   ASN D ND2 1 
ATOM   595 N  N   . GLN D 2 4  ? 7.044  -1.128  3.581   1.00 46.23  ? 4   GLN D N   1 
ATOM   596 C  CA  . GLN D 2 4  ? 8.049  -0.263  2.973   1.00 49.13  ? 4   GLN D CA  1 
ATOM   597 C  C   . GLN D 2 4  ? 8.239  -0.598  1.498   1.00 45.08  ? 4   GLN D C   1 
ATOM   598 O  O   . GLN D 2 4  ? 8.388  0.302   0.664   1.00 44.03  ? 4   GLN D O   1 
ATOM   599 C  CB  . GLN D 2 4  ? 9.370  -0.391  3.732   1.00 47.68  ? 4   GLN D CB  1 
ATOM   600 C  CG  . GLN D 2 4  ? 10.578 0.166   3.003   1.00 52.61  ? 4   GLN D CG  1 
ATOM   601 C  CD  . GLN D 2 4  ? 11.884 -0.296  3.617   1.00 51.77  ? 4   GLN D CD  1 
ATOM   602 O  OE1 . GLN D 2 4  ? 12.356 0.271   4.601   1.00 53.78  ? 4   GLN D OE1 1 
ATOM   603 N  NE2 . GLN D 2 4  ? 12.475 -1.337  3.039   1.00 51.76  ? 4   GLN D NE2 1 
ATOM   604 N  N   . HIS D 2 5  ? 8.231  -1.891  1.161   1.00 47.77  ? 5   HIS D N   1 
ATOM   605 C  CA  . HIS D 2 5  ? 8.386  -2.306  -0.230  1.00 48.65  ? 5   HIS D CA  1 
ATOM   606 C  C   . HIS D 2 5  ? 7.231  -1.806  -1.088  1.00 47.50  ? 5   HIS D C   1 
ATOM   607 O  O   . HIS D 2 5  ? 7.435  -1.382  -2.232  1.00 45.51  ? 5   HIS D O   1 
ATOM   608 C  CB  . HIS D 2 5  ? 8.496  -3.829  -0.307  1.00 51.48  ? 5   HIS D CB  1 
ATOM   609 C  CG  . HIS D 2 5  ? 8.646  -4.359  -1.698  1.00 49.36  ? 5   HIS D CG  1 
ATOM   610 N  ND1 . HIS D 2 5  ? 7.588  -4.455  -2.577  1.00 45.29  ? 5   HIS D ND1 1 
ATOM   611 C  CD2 . HIS D 2 5  ? 9.728  -4.831  -2.360  1.00 47.01  ? 5   HIS D CD2 1 
ATOM   612 C  CE1 . HIS D 2 5  ? 8.015  -4.956  -3.722  1.00 47.79  ? 5   HIS D CE1 1 
ATOM   613 N  NE2 . HIS D 2 5  ? 9.309  -5.195  -3.616  1.00 47.56  ? 5   HIS D NE2 1 
ATOM   614 N  N   . LEU D 2 6  ? 6.008  -1.859  -0.556  1.00 41.95  ? 6   LEU D N   1 
ATOM   615 C  CA  . LEU D 2 6  ? 4.845  -1.390  -1.304  1.00 40.84  ? 6   LEU D CA  1 
ATOM   616 C  C   . LEU D 2 6  ? 4.941  0.100   -1.600  1.00 38.26  ? 6   LEU D C   1 
ATOM   617 O  O   . LEU D 2 6  ? 4.564  0.550   -2.689  1.00 37.19  ? 6   LEU D O   1 
ATOM   618 C  CB  . LEU D 2 6  ? 3.567  -1.696  -0.528  1.00 44.44  ? 6   LEU D CB  1 
ATOM   619 C  CG  . LEU D 2 6  ? 3.292  -3.172  -0.248  1.00 48.47  ? 6   LEU D CG  1 
ATOM   620 C  CD1 . LEU D 2 6  ? 2.058  -3.327  0.623   1.00 51.45  ? 6   LEU D CD1 1 
ATOM   621 C  CD2 . LEU D 2 6  ? 3.133  -3.940  -1.549  1.00 46.58  ? 6   LEU D CD2 1 
ATOM   622 N  N   . CYS D 2 7  ? 5.419  0.884   -0.631  1.00 50.09  ? 7   CYS D N   1 
ATOM   623 C  CA  . CYS D 2 7  ? 5.580  2.317   -0.849  1.00 43.84  ? 7   CYS D CA  1 
ATOM   624 C  C   . CYS D 2 7  ? 6.595  2.600   -1.950  1.00 36.61  ? 7   CYS D C   1 
ATOM   625 O  O   . CYS D 2 7  ? 6.442  3.569   -2.702  1.00 45.04  ? 7   CYS D O   1 
ATOM   626 C  CB  . CYS D 2 7  ? 5.985  3.000   0.459   1.00 38.41  ? 7   CYS D CB  1 
ATOM   627 S  SG  . CYS D 2 7  ? 6.207  4.793   0.335   1.00 35.82  ? 7   CYS D SG  1 
ATOM   628 N  N   . GLY D 2 8  ? 7.629  1.764   -2.067  1.00 38.83  ? 8   GLY D N   1 
ATOM   629 C  CA  . GLY D 2 8  ? 8.592  1.939   -3.141  1.00 38.37  ? 8   GLY D CA  1 
ATOM   630 C  C   . GLY D 2 8  ? 8.000  1.671   -4.512  1.00 40.03  ? 8   GLY D C   1 
ATOM   631 O  O   . GLY D 2 8  ? 8.362  2.329   -5.493  1.00 39.62  ? 8   GLY D O   1 
ATOM   632 N  N   . SER D 2 9  ? 7.087  0.699   -4.602  1.00 39.81  ? 9   SER D N   1 
ATOM   633 C  CA  . SER D 2 9  ? 6.451  0.393   -5.880  1.00 36.48  ? 9   SER D CA  1 
ATOM   634 C  C   . SER D 2 9  ? 5.701  1.602   -6.424  1.00 38.56  ? 9   SER D C   1 
ATOM   635 O  O   . SER D 2 9  ? 5.779  1.905   -7.620  1.00 47.69  ? 9   SER D O   1 
ATOM   636 C  CB  . SER D 2 9  ? 5.503  -0.798  -5.724  1.00 33.06  ? 9   SER D CB  1 
ATOM   637 O  OG  . SER D 2 9  ? 6.155  -1.906  -5.124  1.00 31.96  ? 9   SER D OG  1 
ATOM   638 N  N   . HIS D 2 10 ? 4.963  2.302   -5.561  1.00 38.31  ? 10  HIS D N   1 
ATOM   639 C  CA  . HIS D 2 10 ? 4.322  3.549   -5.967  1.00 38.95  ? 10  HIS D CA  1 
ATOM   640 C  C   . HIS D 2 10 ? 5.347  4.651   -6.189  1.00 46.42  ? 10  HIS D C   1 
ATOM   641 O  O   . HIS D 2 10 ? 5.178  5.496   -7.075  1.00 47.52  ? 10  HIS D O   1 
ATOM   642 C  CB  . HIS D 2 10 ? 3.311  3.992   -4.913  1.00 43.59  ? 10  HIS D CB  1 
ATOM   643 C  CG  . HIS D 2 10 ? 2.169  3.048   -4.735  1.00 41.94  ? 10  HIS D CG  1 
ATOM   644 N  ND1 . HIS D 2 10 ? 1.064  3.057   -5.558  1.00 43.05  ? 10  HIS D ND1 1 
ATOM   645 C  CD2 . HIS D 2 10 ? 1.955  2.068   -3.826  1.00 40.42  ? 10  HIS D CD2 1 
ATOM   646 C  CE1 . HIS D 2 10 ? 0.219  2.121   -5.165  1.00 41.04  ? 10  HIS D CE1 1 
ATOM   647 N  NE2 . HIS D 2 10 ? 0.735  1.509   -4.115  1.00 41.45  ? 10  HIS D NE2 1 
ATOM   648 N  N   . LEU D 2 11 ? 6.409  4.664   -5.381  1.00 43.88  ? 11  LEU D N   1 
ATOM   649 C  CA  . LEU D 2 11 ? 7.364  5.765   -5.430  1.00 49.22  ? 11  LEU D CA  1 
ATOM   650 C  C   . LEU D 2 11 ? 8.056  5.837   -6.786  1.00 51.30  ? 11  LEU D C   1 
ATOM   651 O  O   . LEU D 2 11 ? 8.141  6.908   -7.396  1.00 50.80  ? 11  LEU D O   1 
ATOM   652 C  CB  . LEU D 2 11 ? 8.385  5.613   -4.305  1.00 52.15  ? 11  LEU D CB  1 
ATOM   653 C  CG  . LEU D 2 11 ? 8.731  6.889   -3.537  1.00 55.10  ? 11  LEU D CG  1 
ATOM   654 C  CD1 . LEU D 2 11 ? 7.469  7.658   -3.184  1.00 54.08  ? 11  LEU D CD1 1 
ATOM   655 C  CD2 . LEU D 2 11 ? 9.506  6.538   -2.282  1.00 60.97  ? 11  LEU D CD2 1 
ATOM   656 N  N   . VAL D 2 12 ? 8.540  4.697   -7.284  1.00 46.66  ? 12  VAL D N   1 
ATOM   657 C  CA  . VAL D 2 12 ? 9.201  4.687   -8.585  1.00 47.02  ? 12  VAL D CA  1 
ATOM   658 C  C   . VAL D 2 12 ? 8.208  5.012   -9.694  1.00 48.59  ? 12  VAL D C   1 
ATOM   659 O  O   . VAL D 2 12 ? 8.555  5.674   -10.679 1.00 51.08  ? 12  VAL D O   1 
ATOM   660 C  CB  . VAL D 2 12 ? 9.909  3.339   -8.817  1.00 45.50  ? 12  VAL D CB  1 
ATOM   661 C  CG1 . VAL D 2 12 ? 10.973 3.120   -7.756  1.00 48.23  ? 12  VAL D CG1 1 
ATOM   662 C  CG2 . VAL D 2 12 ? 8.913  2.185   -8.817  1.00 43.61  ? 12  VAL D CG2 1 
ATOM   663 N  N   . GLU D 2 13 ? 6.960  4.554   -9.556  1.00 48.90  ? 13  GLU D N   1 
ATOM   664 C  CA  . GLU D 2 13 ? 5.925  4.939   -10.509 1.00 49.38  ? 13  GLU D CA  1 
ATOM   665 C  C   . GLU D 2 13 ? 5.671  6.440   -10.460 1.00 51.10  ? 13  GLU D C   1 
ATOM   666 O  O   . GLU D 2 13 ? 5.557  7.094   -11.503 1.00 56.24  ? 13  GLU D O   1 
ATOM   667 C  CB  . GLU D 2 13 ? 4.636  4.168   -10.226 1.00 47.79  ? 13  GLU D CB  1 
ATOM   668 C  CG  . GLU D 2 13 ? 4.160  3.306   -11.383 1.00 50.03  ? 13  GLU D CG  1 
ATOM   669 C  CD  . GLU D 2 13 ? 3.808  4.123   -12.610 0.10 52.06  ? 13  GLU D CD  1 
ATOM   670 O  OE1 . GLU D 2 13 ? 3.342  5.271   -12.453 1.00 51.96  ? 13  GLU D OE1 1 
ATOM   671 O  OE2 . GLU D 2 13 ? 4.002  3.618   -13.734 1.00 54.30  ? 13  GLU D OE2 1 
ATOM   672 N  N   . ALA D 2 14 ? 5.580  7.001   -9.253  1.00 42.94  ? 14  ALA D N   1 
ATOM   673 C  CA  . ALA D 2 14 ? 5.443  8.446   -9.117  1.00 50.63  ? 14  ALA D CA  1 
ATOM   674 C  C   . ALA D 2 14 ? 6.700  9.167   -9.590  1.00 52.96  ? 14  ALA D C   1 
ATOM   675 O  O   . ALA D 2 14 ? 6.613  10.200  -10.263 1.00 50.27  ? 14  ALA D O   1 
ATOM   676 C  CB  . ALA D 2 14 ? 5.125  8.807   -7.666  1.00 58.45  ? 14  ALA D CB  1 
ATOM   677 N  N   . LEU D 2 15 ? 7.879  8.636   -9.249  1.00 53.28  ? 15  LEU D N   1 
ATOM   678 C  CA  . LEU D 2 15 ? 9.124  9.270   -9.674  1.00 53.33  ? 15  LEU D CA  1 
ATOM   679 C  C   . LEU D 2 15 ? 9.296  9.202   -11.185 1.00 55.13  ? 15  LEU D C   1 
ATOM   680 O  O   . LEU D 2 15 ? 9.796  10.152  -11.798 1.00 52.90  ? 15  LEU D O   1 
ATOM   681 C  CB  . LEU D 2 15 ? 10.318 8.626   -8.970  1.00 55.17  ? 15  LEU D CB  1 
ATOM   682 C  CG  . LEU D 2 15 ? 10.905 9.419   -7.800  1.00 60.27  ? 15  LEU D CG  1 
ATOM   683 C  CD1 . LEU D 2 15 ? 11.233 10.836  -8.236  1.00 63.10  ? 15  LEU D CD1 1 
ATOM   684 C  CD2 . LEU D 2 15 ? 9.953  9.433   -6.621  1.00 63.72  ? 15  LEU D CD2 1 
ATOM   685 N  N   . TYR D 2 16 ? 8.900  8.086   -11.805 1.00 56.08  ? 16  TYR D N   1 
ATOM   686 C  CA  . TYR D 2 16 ? 8.966  7.997   -13.260 1.00 56.09  ? 16  TYR D CA  1 
ATOM   687 C  C   . TYR D 2 16 ? 8.090  9.055   -13.912 1.00 51.58  ? 16  TYR D C   1 
ATOM   688 O  O   . TYR D 2 16 ? 8.500  9.700   -14.884 1.00 57.02  ? 16  TYR D O   1 
ATOM   689 C  CB  . TYR D 2 16 ? 8.551  6.602   -13.734 1.00 56.33  ? 16  TYR D CB  1 
ATOM   690 C  CG  . TYR D 2 16 ? 8.116  6.571   -15.185 1.00 57.75  ? 16  TYR D CG  1 
ATOM   691 C  CD1 . TYR D 2 16 ? 9.051  6.550   -16.211 1.00 55.19  ? 16  TYR D CD1 1 
ATOM   692 C  CD2 . TYR D 2 16 ? 6.769  6.570   -15.528 1.00 58.47  ? 16  TYR D CD2 1 
ATOM   693 C  CE1 . TYR D 2 16 ? 8.658  6.528   -17.537 1.00 55.96  ? 16  TYR D CE1 1 
ATOM   694 C  CE2 . TYR D 2 16 ? 6.367  6.550   -16.850 1.00 58.10  ? 16  TYR D CE2 1 
ATOM   695 C  CZ  . TYR D 2 16 ? 7.315  6.527   -17.852 1.00 57.21  ? 16  TYR D CZ  1 
ATOM   696 O  OH  . TYR D 2 16 ? 6.919  6.504   -19.172 1.00 54.27  ? 16  TYR D OH  1 
ATOM   697 N  N   . LEU D 2 17 ? 6.876  9.244   -13.393 1.00 57.46  ? 17  LEU D N   1 
ATOM   698 C  CA  . LEU D 2 17 ? 5.968  10.229  -13.965 1.00 55.80  ? 17  LEU D CA  1 
ATOM   699 C  C   . LEU D 2 17 ? 6.538  11.637  -13.841 1.00 56.91  ? 17  LEU D C   1 
ATOM   700 O  O   . LEU D 2 17 ? 6.731  12.333  -14.843 1.00 53.52  ? 17  LEU D O   1 
ATOM   701 C  CB  . LEU D 2 17 ? 4.601  10.135  -13.283 1.00 60.44  ? 17  LEU D CB  1 
ATOM   702 C  CG  A LEU D 2 17 ? 3.774  8.880   -13.566 0.79 63.82  ? 17  LEU D CG  1 
ATOM   703 C  CG  B LEU D 2 17 ? 3.450  10.874  -13.962 0.21 65.61  ? 17  LEU D CG  1 
ATOM   704 C  CD1 A LEU D 2 17 ? 2.415  8.971   -12.889 0.79 63.49  ? 17  LEU D CD1 1 
ATOM   705 C  CD1 B LEU D 2 17 ? 3.121  10.229  -15.296 0.21 70.44  ? 17  LEU D CD1 1 
ATOM   706 C  CD2 A LEU D 2 17 ? 3.618  8.664   -15.063 0.79 66.70  ? 17  LEU D CD2 1 
ATOM   707 C  CD2 B LEU D 2 17 ? 2.232  10.903  -13.060 0.21 64.16  ? 17  LEU D CD2 1 
ATOM   708 N  N   . VAL D 2 18 ? 6.852  12.056  -12.611 1.00 51.90  ? 18  VAL D N   1 
ATOM   709 C  CA  . VAL D 2 18 ? 7.246  13.442  -12.362 1.00 54.33  ? 18  VAL D CA  1 
ATOM   710 C  C   . VAL D 2 18 ? 8.533  13.787  -13.103 1.00 57.72  ? 18  VAL D C   1 
ATOM   711 O  O   . VAL D 2 18 ? 8.687  14.901  -13.620 1.00 57.71  ? 18  VAL D O   1 
ATOM   712 C  CB  . VAL D 2 18 ? 7.373  13.697  -10.848 1.00 55.82  ? 18  VAL D CB  1 
ATOM   713 C  CG1 . VAL D 2 18 ? 7.790  15.135  -10.581 1.00 57.21  ? 18  VAL D CG1 1 
ATOM   714 C  CG2 . VAL D 2 18 ? 6.058  13.387  -10.151 1.00 54.39  ? 18  VAL D CG2 1 
ATOM   715 N  N   . CYS D 2 19 ? 9.474  12.844  -13.176 1.00 57.26  ? 19  CYS D N   1 
ATOM   716 C  CA  . CYS D 2 19 ? 10.747 13.127  -13.834 1.00 61.76  ? 19  CYS D CA  1 
ATOM   717 C  C   . CYS D 2 19 ? 10.613 13.084  -15.353 1.00 63.72  ? 19  CYS D C   1 
ATOM   718 O  O   . CYS D 2 19 ? 11.034 14.016  -16.048 1.00 66.37  ? 19  CYS D O   1 
ATOM   719 C  CB  . CYS D 2 19 ? 11.818 12.141  -13.364 1.00 63.64  ? 19  CYS D CB  1 
ATOM   720 S  SG  . CYS D 2 19 ? 12.140 12.213  -11.592 1.00 52.38  ? 19  CYS D SG  1 
ATOM   721 N  N   . GLY D 2 20 ? 10.029 12.015  -15.888 1.00 58.69  ? 20  GLY D N   1 
ATOM   722 C  CA  . GLY D 2 20 ? 9.840  11.917  -17.323 1.00 58.49  ? 20  GLY D CA  1 
ATOM   723 C  C   . GLY D 2 20 ? 11.136 11.765  -18.093 1.00 65.52  ? 20  GLY D C   1 
ATOM   724 O  O   . GLY D 2 20 ? 11.911 10.838  -17.834 1.00 62.51  ? 20  GLY D O   1 
ATOM   725 N  N   . GLU D 2 21 ? 11.380 12.677  -19.041 1.00 73.11  ? 21  GLU D N   1 
ATOM   726 C  CA  . GLU D 2 21 ? 12.563 12.597  -19.893 1.00 73.16  ? 21  GLU D CA  1 
ATOM   727 C  C   . GLU D 2 21 ? 13.865 12.691  -19.104 1.00 72.87  ? 21  GLU D C   1 
ATOM   728 O  O   . GLU D 2 21 ? 14.899 12.208  -19.579 1.00 72.73  ? 21  GLU D O   1 
ATOM   729 C  CB  . GLU D 2 21 ? 12.523 13.704  -20.951 0.00 73.93  ? 21  GLU D CB  1 
ATOM   730 C  CG  . GLU D 2 21 ? 11.381 13.581  -21.957 0.00 74.27  ? 21  GLU D CG  1 
ATOM   731 C  CD  . GLU D 2 21 ? 11.429 14.655  -23.032 0.00 76.27  ? 21  GLU D CD  1 
ATOM   732 O  OE1 . GLU D 2 21 ? 12.303 15.544  -22.943 0.00 76.75  ? 21  GLU D OE1 1 
ATOM   733 O  OE2 . GLU D 2 21 ? 10.598 14.611  -23.964 0.00 77.05  ? 21  GLU D OE2 1 
ATOM   734 N  N   . ARG D 2 22 ? 13.843 13.304  -17.919 1.00 69.20  ? 22  ARG D N   1 
ATOM   735 C  CA  . ARG D 2 22 ? 15.071 13.444  -17.142 1.00 68.03  ? 22  ARG D CA  1 
ATOM   736 C  C   . ARG D 2 22 ? 15.529 12.108  -16.570 1.00 67.30  ? 22  ARG D C   1 
ATOM   737 O  O   . ARG D 2 22 ? 16.726 11.796  -16.588 1.00 67.09  ? 22  ARG D O   1 
ATOM   738 C  CB  . ARG D 2 22 ? 14.871 14.464  -16.022 1.00 68.24  ? 22  ARG D CB  1 
ATOM   739 C  CG  . ARG D 2 22 ? 15.193 15.893  -16.424 1.00 68.98  ? 22  ARG D CG  1 
ATOM   740 C  CD  . ARG D 2 22 ? 15.060 16.842  -15.242 1.00 69.29  ? 22  ARG D CD  1 
ATOM   741 N  NE  . ARG D 2 22 ? 13.668 17.073  -14.873 1.00 70.53  ? 22  ARG D NE  1 
ATOM   742 C  CZ  . ARG D 2 22 ? 13.276 17.869  -13.887 1.00 69.59  ? 22  ARG D CZ  1 
ATOM   743 N  NH1 . ARG D 2 22 ? 14.149 18.517  -13.133 1.00 69.71  ? 22  ARG D NH1 1 
ATOM   744 N  NH2 . ARG D 2 22 ? 11.975 18.019  -13.653 1.00 69.78  ? 22  ARG D NH2 1 
ATOM   745 N  N   . GLY D 2 23 ? 14.598 11.305  -16.064 1.00 67.69  ? 23  GLY D N   1 
ATOM   746 C  CA  . GLY D 2 23 ? 14.954 10.077  -15.387 1.00 69.57  ? 23  GLY D CA  1 
ATOM   747 C  C   . GLY D 2 23 ? 15.314 10.322  -13.936 1.00 62.11  ? 23  GLY D C   1 
ATOM   748 O  O   . GLY D 2 23 ? 15.264 11.441  -13.421 1.00 59.16  ? 23  GLY D O   1 
ATOM   749 N  N   . PHE D 2 24 ? 15.688 9.238   -13.262 1.00 67.29  ? 24  PHE D N   1 
ATOM   750 C  CA  . PHE D 2 24 ? 15.977 9.299   -11.836 1.00 59.58  ? 24  PHE D CA  1 
ATOM   751 C  C   . PHE D 2 24 ? 16.824 8.097   -11.447 1.00 57.01  ? 24  PHE D C   1 
ATOM   752 O  O   . PHE D 2 24 ? 16.945 7.124   -12.195 1.00 55.09  ? 24  PHE D O   1 
ATOM   753 C  CB  . PHE D 2 24 ? 14.687 9.343   -11.011 1.00 57.17  ? 24  PHE D CB  1 
ATOM   754 C  CG  . PHE D 2 24 ? 13.818 8.130   -11.187 1.00 55.73  ? 24  PHE D CG  1 
ATOM   755 C  CD1 . PHE D 2 24 ? 12.924 8.048   -12.243 1.00 51.24  ? 24  PHE D CD1 1 
ATOM   756 C  CD2 . PHE D 2 24 ? 13.895 7.070   -10.299 1.00 51.52  ? 24  PHE D CD2 1 
ATOM   757 C  CE1 . PHE D 2 24 ? 12.129 6.932   -12.408 1.00 48.23  ? 24  PHE D CE1 1 
ATOM   758 C  CE2 . PHE D 2 24 ? 13.100 5.953   -10.460 1.00 49.65  ? 24  PHE D CE2 1 
ATOM   759 C  CZ  . PHE D 2 24 ? 12.215 5.885   -11.515 1.00 48.16  ? 24  PHE D CZ  1 
ATOM   760 N  N   . PHE D 2 25 ? 17.412 8.185   -10.257 1.00 61.49  ? 25  PHE D N   1 
ATOM   761 C  CA  . PHE D 2 25 ? 18.103 7.071   -9.619  1.00 61.02  ? 25  PHE D CA  1 
ATOM   762 C  C   . PHE D 2 25 ? 17.352 6.717   -8.345  1.00 62.31  ? 25  PHE D C   1 
ATOM   763 O  O   . PHE D 2 25 ? 17.170 7.572   -7.471  1.00 62.84  ? 25  PHE D O   1 
ATOM   764 C  CB  . PHE D 2 25 ? 19.557 7.425   -9.302  1.00 60.87  ? 25  PHE D CB  1 
ATOM   765 C  CG  . PHE D 2 25 ? 20.488 7.273   -10.470 1.00 61.53  ? 25  PHE D CG  1 
ATOM   766 C  CD1 . PHE D 2 25 ? 20.531 8.228   -11.471 1.00 61.24  ? 25  PHE D CD1 1 
ATOM   767 C  CD2 . PHE D 2 25 ? 21.332 6.178   -10.559 1.00 62.60  ? 25  PHE D CD2 1 
ATOM   768 C  CE1 . PHE D 2 25 ? 21.392 8.090   -12.544 1.00 61.31  ? 25  PHE D CE1 1 
ATOM   769 C  CE2 . PHE D 2 25 ? 22.196 6.035   -11.629 1.00 63.86  ? 25  PHE D CE2 1 
ATOM   770 C  CZ  . PHE D 2 25 ? 22.226 6.992   -12.622 1.00 60.92  ? 25  PHE D CZ  1 
ATOM   771 N  N   . TYR D 2 26 ? 16.921 5.465   -8.237  1.00 59.15  ? 26  TYR D N   1 
ATOM   772 C  CA  . TYR D 2 26 ? 16.196 4.988   -7.065  1.00 59.01  ? 26  TYR D CA  1 
ATOM   773 C  C   . TYR D 2 26 ? 17.129 4.099   -6.252  1.00 62.20  ? 26  TYR D C   1 
ATOM   774 O  O   . TYR D 2 26 ? 17.553 3.039   -6.723  1.00 66.41  ? 26  TYR D O   1 
ATOM   775 C  CB  . TYR D 2 26 ? 14.926 4.239   -7.465  1.00 57.94  ? 26  TYR D CB  1 
ATOM   776 C  CG  . TYR D 2 26 ? 14.166 3.693   -6.280  1.00 56.77  ? 26  TYR D CG  1 
ATOM   777 C  CD1 . TYR D 2 26 ? 13.418 4.533   -5.464  1.00 58.92  ? 26  TYR D CD1 1 
ATOM   778 C  CD2 . TYR D 2 26 ? 14.202 2.340   -5.970  1.00 57.18  ? 26  TYR D CD2 1 
ATOM   779 C  CE1 . TYR D 2 26 ? 12.724 4.038   -4.373  1.00 56.43  ? 26  TYR D CE1 1 
ATOM   780 C  CE2 . TYR D 2 26 ? 13.512 1.837   -4.882  1.00 55.31  ? 26  TYR D CE2 1 
ATOM   781 C  CZ  . TYR D 2 26 ? 12.774 2.690   -4.088  1.00 52.60  ? 26  TYR D CZ  1 
ATOM   782 O  OH  . TYR D 2 26 ? 12.086 2.192   -3.004  1.00 46.66  ? 26  TYR D OH  1 
ATOM   783 N  N   . THR D 2 27 ? 17.453 4.540   -5.039  1.00 60.15  ? 27  THR D N   1 
ATOM   784 C  CA  . THR D 2 27 ? 18.271 3.778   -4.103  1.00 55.82  ? 27  THR D CA  1 
ATOM   785 C  C   . THR D 2 27 ? 17.494 3.598   -2.807  1.00 54.46  ? 27  THR D C   1 
ATOM   786 O  O   . THR D 2 27 ? 17.151 4.600   -2.155  1.00 56.90  ? 27  THR D O   1 
ATOM   787 C  CB  . THR D 2 27 ? 19.601 4.482   -3.832  1.00 54.37  ? 27  THR D CB  1 
ATOM   788 O  OG1 . THR D 2 27 ? 19.352 5.787   -3.297  1.00 55.41  ? 27  THR D OG1 1 
ATOM   789 C  CG2 . THR D 2 27 ? 20.407 4.613   -5.115  1.00 56.02  ? 27  THR D CG2 1 
ATOM   790 N  N   . PRO D 2 28 ? 17.192 2.375   -2.388  1.00 56.87  ? 28  PRO D N   1 
ATOM   791 C  CA  . PRO D 2 28 ? 16.410 2.165   -1.166  1.00 58.24  ? 28  PRO D CA  1 
ATOM   792 C  C   . PRO D 2 28 ? 17.267 2.384   0.076   1.00 57.31  ? 28  PRO D C   1 
ATOM   793 O  O   . PRO D 2 28 ? 18.441 2.728   -0.002  1.00 57.13  ? 28  PRO D O   1 
ATOM   794 C  CB  . PRO D 2 28 ? 15.941 0.706   -1.281  1.00 60.91  ? 28  PRO D CB  1 
ATOM   795 C  CG  . PRO D 2 28 ? 16.528 0.172   -2.575  1.00 65.47  ? 28  PRO D CG  1 
ATOM   796 C  CD  . PRO D 2 28 ? 17.615 1.103   -2.988  1.00 65.99  ? 28  PRO D CD  1 
ATOM   797 N  N   . LYS D 2 29 ? 16.651 2.171   1.235   1.00 57.64  ? 29  LYS D N   1 
ATOM   798 C  CA  . LYS D 2 29 ? 17.350 2.327   2.502   1.00 54.55  ? 29  LYS D CA  1 
ATOM   799 C  C   . LYS D 2 29 ? 18.257 1.127   2.766   1.00 51.07  ? 29  LYS D C   1 
ATOM   800 O  O   . LYS D 2 29 ? 19.252 1.230   3.484   1.00 49.31  ? 29  LYS D O   1 
ATOM   801 C  CB  . LYS D 2 29 ? 16.352 2.514   3.652   0.00 56.07  ? 29  LYS D CB  1 
ATOM   802 C  CG  . LYS D 2 29 ? 15.431 1.328   3.890   0.00 57.34  ? 29  LYS D CG  1 
ATOM   803 C  CD  . LYS D 2 29 ? 15.934 0.463   5.034   0.00 58.29  ? 29  LYS D CD  1 
ATOM   804 C  CE  . LYS D 2 29 ? 15.312 -0.922  4.993   0.00 60.17  ? 29  LYS D CE  1 
ATOM   805 N  NZ  . LYS D 2 29 ? 15.752 -1.759  6.144   0.00 63.61  ? 29  LYS D NZ  1 
ATOM   806 O  OXT . LYS D 2 29 ? 18.019 0.028   2.262   1.00 48.47  ? 29  LYS D OXT 1 
HETATM 807 C  C1  . IPH E 3 .  ? 0.825  11.022  -20.740 0.00 62.45  ? 101 IPH B C1  1 
HETATM 808 C  C2  . IPH E 3 .  ? 1.145  11.800  -19.634 0.00 62.88  ? 101 IPH B C2  1 
HETATM 809 C  C3  . IPH E 3 .  ? 1.373  11.199  -18.401 0.00 62.43  ? 101 IPH B C3  1 
HETATM 810 C  C4  . IPH E 3 .  ? 1.280  9.818   -18.273 0.00 61.25  ? 101 IPH B C4  1 
HETATM 811 C  C5  . IPH E 3 .  ? 0.960  9.038   -19.377 0.00 60.31  ? 101 IPH B C5  1 
HETATM 812 C  C6  . IPH E 3 .  ? 0.732  9.640   -20.610 0.00 59.49  ? 101 IPH B C6  1 
HETATM 813 O  O1  . IPH E 3 .  ? 0.601  11.620  -21.953 0.00 65.89  ? 101 IPH B O1  1 
HETATM 814 ZN ZN  . ZN  F 4 .  ? -0.152 0.082   -19.434 0.00 52.21  ? 102 ZN  B ZN  1 
HETATM 815 CL CL  . CL  G 5 .  ? -0.282 0.162   -21.626 0.00 60.85  ? 103 CL  B CL  1 
HETATM 816 C  C1  . MYR H 6 .  ? 13.493 8.640   -26.750 0.00 40.04  ? 104 MYR B C1  1 
HETATM 817 O  O1  . MYR H 6 .  ? 12.731 9.210   -27.561 0.00 41.35  ? 104 MYR B O1  1 
HETATM 818 C  C2  . MYR H 6 .  ? 13.804 7.169   -26.895 0.00 41.77  ? 104 MYR B C2  1 
HETATM 819 C  C3  . MYR H 6 .  ? 14.520 6.936   -28.220 0.00 42.57  ? 104 MYR B C3  1 
HETATM 820 C  C4  . MYR H 6 .  ? 13.983 5.687   -28.906 0.00 44.98  ? 104 MYR B C4  1 
HETATM 821 C  C5  . MYR H 6 .  ? 12.469 5.777   -29.050 0.00 45.09  ? 104 MYR B C5  1 
HETATM 822 C  C6  . MYR H 6 .  ? 11.926 4.646   -29.915 0.00 48.48  ? 104 MYR B C6  1 
HETATM 823 C  C7  . MYR H 6 .  ? 10.410 4.738   -30.029 0.00 50.25  ? 104 MYR B C7  1 
HETATM 824 C  C8  . MYR H 6 .  ? 9.898  3.886   -31.184 0.00 52.39  ? 104 MYR B C8  1 
HETATM 825 C  C9  . MYR H 6 .  ? 8.392  4.047   -31.354 0.00 51.69  ? 104 MYR B C9  1 
HETATM 826 C  C10 . MYR H 6 .  ? 7.619  3.029   -30.526 0.00 52.26  ? 104 MYR B C10 1 
HETATM 827 C  C11 . MYR H 6 .  ? 7.461  1.726   -31.298 0.00 52.88  ? 104 MYR B C11 1 
HETATM 828 C  C12 . MYR H 6 .  ? 6.992  0.610   -30.375 0.00 53.99  ? 104 MYR B C12 1 
HETATM 829 C  C13 . MYR H 6 .  ? 5.594  0.864   -29.822 0.00 52.61  ? 104 MYR B C13 1 
HETATM 830 C  C14 . MYR H 6 .  ? 5.240  -0.174  -28.760 0.00 53.69  ? 104 MYR B C14 1 
HETATM 831 C  C1  . IPH I 3 .  ? 6.569  -9.339  -1.134  0.00 52.61  ? 101 IPH D C1  1 
HETATM 832 C  C2  . IPH I 3 .  ? 5.534  -8.410  -1.085  0.00 51.84  ? 101 IPH D C2  1 
HETATM 833 C  C3  . IPH I 3 .  ? 5.305  -7.556  -2.160  0.00 49.71  ? 101 IPH D C3  1 
HETATM 834 C  C4  . IPH I 3 .  ? 6.110  -7.627  -3.291  0.00 48.96  ? 101 IPH D C4  1 
HETATM 835 C  C5  . IPH I 3 .  ? 7.144  -8.553  -3.338  0.00 51.31  ? 101 IPH D C5  1 
HETATM 836 C  C6  . IPH I 3 .  ? 7.372  -9.406  -2.264  0.00 52.75  ? 101 IPH D C6  1 
HETATM 837 O  O1  . IPH I 3 .  ? 6.808  -10.189 -0.084  0.00 52.08  ? 101 IPH D O1  1 
HETATM 838 ZN ZN  . ZN  J 4 .  ? -0.052 -0.093  -2.670  0.00 54.22  ? 102 ZN  D ZN  1 
HETATM 839 CL CL  . CL  K 5 .  ? 0.038  -0.637  -0.266  0.00 43.08  ? 103 CL  D CL  1 
HETATM 840 C  C1  . MYR L 6 .  ? 14.610 -2.144  6.914   0.00 69.40  ? 104 MYR D C1  1 
HETATM 841 O  O1  . MYR L 6 .  ? 15.150 -2.868  7.778   0.00 68.67  ? 104 MYR D O1  1 
HETATM 842 C  C2  . MYR L 6 .  ? 13.595 -1.100  7.314   0.00 68.01  ? 104 MYR D C2  1 
HETATM 843 C  C3  . MYR L 6 .  ? 14.216 -0.127  8.309   0.00 64.87  ? 104 MYR D C3  1 
HETATM 844 C  C4  . MYR L 6 .  ? 13.223 0.966   8.690   0.00 59.58  ? 104 MYR D C4  1 
HETATM 845 C  C5  . MYR L 6 .  ? 12.573 0.692   10.043  0.00 61.04  ? 104 MYR D C5  1 
HETATM 846 C  C6  . MYR L 6 .  ? 11.282 -0.116  9.947   0.00 61.30  ? 104 MYR D C6  1 
HETATM 847 C  C7  . MYR L 6 .  ? 10.444 0.100   11.205  0.00 54.59  ? 104 MYR D C7  1 
HETATM 848 C  C8  . MYR L 6 .  ? 10.381 1.576   11.592  0.00 57.99  ? 104 MYR D C8  1 
HETATM 849 C  C9  . MYR L 6 .  ? 9.504  1.817   12.815  0.00 56.65  ? 104 MYR D C9  1 
HETATM 850 C  C10 . MYR L 6 .  ? 8.024  1.731   12.463  0.00 54.76  ? 104 MYR D C10 1 
HETATM 851 C  C11 . MYR L 6 .  ? 7.365  0.455   12.974  0.00 56.36  ? 104 MYR D C11 1 
HETATM 852 C  C12 . MYR L 6 .  ? 5.870  0.476   12.671  0.00 54.78  ? 104 MYR D C12 1 
HETATM 853 C  C13 . MYR L 6 .  ? 5.351  -0.874  12.190  0.00 54.44  ? 104 MYR D C13 1 
HETATM 854 C  C14 . MYR L 6 .  ? 5.043  -1.783  13.375  0.00 51.16  ? 104 MYR D C14 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  ? 0.7787 1.0977 1.0874 -0.2142 -0.2303 -0.1100 1  GLY A N   
2   C CA  . GLY A 1  ? 0.8282 1.1369 1.1292 -0.2137 -0.2319 -0.1077 1  GLY A CA  
3   C C   . GLY A 1  ? 0.8970 1.2002 1.1897 -0.2115 -0.2301 -0.1086 1  GLY A C   
4   O O   . GLY A 1  ? 0.8574 1.1645 1.1504 -0.2102 -0.2277 -0.1111 1  GLY A O   
5   N N   . ILE A 2  ? 0.7165 1.0105 1.0017 -0.2113 -0.2312 -0.1067 2  ILE A N   
6   C CA  . ILE A 2  ? 0.6801 0.9685 0.9571 -0.2093 -0.2295 -0.1076 2  ILE A CA  
7   C C   . ILE A 2  ? 0.7037 0.9883 0.9775 -0.2079 -0.2271 -0.1084 2  ILE A C   
8   O O   . ILE A 2  ? 0.6572 0.9413 0.9273 -0.2060 -0.2249 -0.1103 2  ILE A O   
9   C CB  . ILE A 2  ? 0.6621 0.9420 0.9317 -0.2099 -0.2312 -0.1054 2  ILE A CB  
10  C CG1 . ILE A 2  ? 0.6175 0.8929 0.8792 -0.2080 -0.2293 -0.1068 2  ILE A CG1 
11  C CG2 . ILE A 2  ? 0.5770 0.8490 0.8439 -0.2109 -0.2323 -0.1027 2  ILE A CG2 
12  C CD1 . ILE A 2  ? 0.5767 0.8449 0.8310 -0.2089 -0.2306 -0.1051 2  ILE A CD1 
13  N N   . VAL A 3  ? 0.6171 0.8991 0.8924 -0.2087 -0.2275 -0.1070 3  VAL A N   
14  C CA  . VAL A 3  ? 0.6433 0.9216 0.9156 -0.2075 -0.2253 -0.1075 3  VAL A CA  
15  C C   . VAL A 3  ? 0.6101 0.8968 0.8869 -0.2070 -0.2230 -0.1102 3  VAL A C   
16  O O   . VAL A 3  ? 0.5784 0.8633 0.8514 -0.2055 -0.2208 -0.1114 3  VAL A O   
17  C CB  . VAL A 3  ? 0.6631 0.9369 0.9368 -0.2085 -0.2265 -0.1056 3  VAL A CB  
18  C CG1 . VAL A 3  ? 0.6292 0.9104 0.9120 -0.2103 -0.2280 -0.1056 3  VAL A CG1 
19  C CG2 . VAL A 3  ? 0.6353 0.9060 0.9067 -0.2074 -0.2243 -0.1061 3  VAL A CG2 
20  N N   . GLU A 4  ? 0.6858 0.9819 0.9707 -0.2084 -0.2236 -0.1111 4  GLU A N   
21  C CA  . GLU A 4  ? 0.6523 0.9568 0.9415 -0.2081 -0.2210 -0.1137 4  GLU A CA  
22  C C   . GLU A 4  ? 0.6388 0.9474 0.9264 -0.2056 -0.2181 -0.1163 4  GLU A C   
23  O O   . GLU A 4  ? 0.6706 0.9853 0.9599 -0.2044 -0.2144 -0.1188 4  GLU A O   
24  C CB  . GLU A 4  ? 0.6458 0.9588 0.9438 -0.2103 -0.2216 -0.1138 4  GLU A CB  
25  C CG  . GLU A 4  ? 0.6460 0.9555 0.9461 -0.2121 -0.2237 -0.1118 4  GLU A CG  
26  C CD  . GLU A 4  ? 0.6522 0.9624 0.9563 -0.2136 -0.2267 -0.1101 4  GLU A CD  
27  O OE1 . GLU A 4  ? 0.6843 1.0010 0.9925 -0.2142 -0.2274 -0.1107 4  GLU A OE1 
28  O OE2 . GLU A 4  ? 0.5744 0.8787 0.8778 -0.2141 -0.2283 -0.1082 4  GLU A OE2 
29  N N   . GLN A 5  ? 0.6039 0.9096 0.8884 -0.2049 -0.2195 -0.1161 5  GLN A N   
30  C CA  . GLN A 5  ? 0.6047 0.9143 0.8886 -0.2023 -0.2170 -0.1189 5  GLN A CA  
31  C C   . GLN A 5  ? 0.6377 0.9397 0.9130 -0.1999 -0.2157 -0.1195 5  GLN A C   
32  O O   . GLN A 5  ? 0.6151 0.9189 0.8885 -0.1970 -0.2120 -0.1223 5  GLN A O   
33  C CB  . GLN A 5  ? 0.5854 0.8996 0.8739 -0.2034 -0.2195 -0.1186 5  GLN A CB  
34  C CG  . GLN A 5  ? 0.6452 0.9683 0.9429 -0.2056 -0.2203 -0.1185 5  GLN A CG  
35  C CD  . GLN A 5  ? 0.6679 0.9954 0.9703 -0.2067 -0.2230 -0.1180 5  GLN A CD  
36  O OE1 . GLN A 5  ? 0.6779 1.0024 0.9767 -0.2058 -0.2240 -0.1181 5  GLN A OE1 
37  N NE2 . GLN A 5  ? 0.6839 1.0187 0.9945 -0.2089 -0.2242 -0.1175 5  GLN A NE2 
38  N N   . CYS A 6  ? 0.6084 0.9021 0.8785 -0.2009 -0.2184 -0.1171 6  CYS A N   
39  C CA  . CYS A 6  ? 0.6482 0.9347 0.9103 -0.1988 -0.2172 -0.1177 6  CYS A CA  
40  C C   . CYS A 6  ? 0.6063 0.8855 0.8628 -0.1984 -0.2160 -0.1168 6  CYS A C   
41  O O   . CYS A 6  ? 0.6026 0.8759 0.8523 -0.1964 -0.2145 -0.1175 6  CYS A O   
42  C CB  . CYS A 6  ? 0.6613 0.9430 0.9202 -0.2004 -0.2205 -0.1159 6  CYS A CB  
43  S SG  . CYS A 6  ? 0.6517 0.9409 0.9152 -0.1998 -0.2213 -0.1177 6  CYS A SG  
44  N N   . CYS A 7  ? 0.9112 0.8231 0.7457 0.2494  0.0677  -0.2969 7  CYS A N   
45  C CA  . CYS A 7  ? 0.8905 0.8005 0.7249 0.2500  0.0650  -0.2980 7  CYS A CA  
46  C C   . CYS A 7  ? 0.9069 0.8140 0.7372 0.2514  0.0644  -0.2981 7  CYS A C   
47  O O   . CYS A 7  ? 0.8703 0.7764 0.7005 0.2524  0.0616  -0.2992 7  CYS A O   
48  C CB  . CYS A 7  ? 0.7893 0.6974 0.6247 0.2497  0.0646  -0.2987 7  CYS A CB  
49  S SG  . CYS A 7  ? 0.7829 0.6941 0.6233 0.2487  0.0631  -0.2996 7  CYS A SG  
50  N N   . THR A 8  ? 0.9283 0.8344 0.7552 0.2519  0.0668  -0.2972 8  THR A N   
51  C CA  . THR A 8  ? 0.9478 0.8515 0.7703 0.2536  0.0661  -0.2974 8  THR A CA  
52  C C   . THR A 8  ? 0.9517 0.8572 0.7739 0.2538  0.0662  -0.2973 8  THR A C   
53  O O   . THR A 8  ? 1.0032 0.9072 0.8223 0.2552  0.0648  -0.2980 8  THR A O   
54  C CB  . THR A 8  ? 0.9635 0.8640 0.7816 0.2542  0.0692  -0.2968 8  THR A CB  
55  O OG1 . THR A 8  ? 0.9619 0.8644 0.7808 0.2533  0.0728  -0.2958 8  THR A OG1 
56  C CG2 . THR A 8  ? 0.8995 0.7970 0.7177 0.2540  0.0696  -0.2971 8  THR A CG2 
57  N N   . SER A 9  ? 1.0014 0.9098 0.8264 0.2527  0.0676  -0.2966 9  SER A N   
58  C CA  . SER A 9  ? 0.9512 0.8607 0.7763 0.2527  0.0677  -0.2967 9  SER A CA  
59  C C   . SER A 9  ? 0.9385 0.8503 0.7677 0.2514  0.0677  -0.2967 9  SER A C   
60  O O   . SER A 9  ? 0.9456 0.8591 0.7769 0.2507  0.0684  -0.2961 9  SER A O   
61  C CB  . SER A 9  ? 0.9547 0.8644 0.7773 0.2535  0.0704  -0.2958 9  SER A CB  
62  O OG  . SER A 9  ? 0.9648 0.8764 0.7890 0.2528  0.0726  -0.2948 9  SER A OG  
63  N N   . ILE A 10 ? 0.9566 0.8682 0.7867 0.2511  0.0671  -0.2975 10 ILE A N   
64  C CA  . ILE A 10 ? 0.9765 0.8895 0.8097 0.2500  0.0677  -0.2976 10 ILE A CA  
65  C C   . ILE A 10 ? 0.9929 0.9073 0.8257 0.2501  0.0698  -0.2962 10 ILE A C   
66  O O   . ILE A 10 ? 0.9970 0.9107 0.8275 0.2509  0.0711  -0.2957 10 ILE A O   
67  C CB  . ILE A 10 ? 0.9180 0.8294 0.7520 0.2495  0.0676  -0.2990 10 ILE A CB  
68  C CG1 . ILE A 10 ? 0.9184 0.8292 0.7536 0.2497  0.0650  -0.3009 10 ILE A CG1 
69  C CG2 . ILE A 10 ? 0.9160 0.8278 0.7521 0.2483  0.0694  -0.2990 10 ILE A CG2 
70  C CD1 . ILE A 10 ? 0.9203 0.8299 0.7573 0.2491  0.0651  -0.3030 10 ILE A CD1 
71  N N   . CYS A 11 ? 0.9251 0.8414 0.7599 0.2495  0.0700  -0.2959 11 CYS A N   
72  C CA  . CYS A 11 ? 0.9055 0.8237 0.7401 0.2500  0.0714  -0.2949 11 CYS A CA  
73  C C   . CYS A 11 ? 0.8940 0.8119 0.7290 0.2498  0.0722  -0.2950 11 CYS A C   
74  O O   . CYS A 11 ? 0.9046 0.8223 0.7412 0.2489  0.0719  -0.2957 11 CYS A O   
75  C CB  . CYS A 11 ? 0.9001 0.8207 0.7364 0.2499  0.0709  -0.2948 11 CYS A CB  
76  S SG  . CYS A 11 ? 0.8690 0.7899 0.7044 0.2504  0.0721  -0.2944 11 CYS A SG  
77  N N   . SER A 12 ? 0.8830 0.8003 0.7161 0.2508  0.0737  -0.2943 12 SER A N   
78  C CA  . SER A 12 ? 0.8397 0.7561 0.6723 0.2510  0.0751  -0.2943 12 SER A CA  
79  C C   . SER A 12 ? 0.8150 0.7344 0.6485 0.2515  0.0743  -0.2941 12 SER A C   
80  O O   . SER A 12 ? 0.8125 0.7349 0.6474 0.2517  0.0730  -0.2940 12 SER A O   
81  C CB  . SER A 12 ? 0.8239 0.7386 0.6540 0.2524  0.0766  -0.2937 12 SER A CB  
82  O OG  . SER A 12 ? 0.7921 0.7047 0.6208 0.2527  0.0784  -0.2937 12 SER A OG  
83  N N   . LEU A 13 ? 0.5856 0.8970 0.7409 0.3495  -0.1427 -0.2676 13 LEU A N   
84  C CA  . LEU A 13 ? 0.5402 0.8509 0.6943 0.3495  -0.1427 -0.2658 13 LEU A CA  
85  C C   . LEU A 13 ? 0.5553 0.8651 0.7089 0.3497  -0.1425 -0.2643 13 LEU A C   
86  O O   . LEU A 13 ? 0.5791 0.8886 0.7305 0.3496  -0.1427 -0.2633 13 LEU A O   
87  C CB  . LEU A 13 ? 0.5404 0.8512 0.6969 0.3496  -0.1424 -0.2654 13 LEU A CB  
88  C CG  . LEU A 13 ? 0.5403 0.8522 0.6967 0.3494  -0.1425 -0.2666 13 LEU A CG  
89  C CD1 . LEU A 13 ? 0.5396 0.8521 0.6930 0.3492  -0.1429 -0.2667 13 LEU A CD1 
90  C CD2 . LEU A 13 ? 0.5408 0.8532 0.6986 0.3493  -0.1426 -0.2684 13 LEU A CD2 
91  N N   . TYR A 14 ? 0.5595 0.8688 0.7153 0.3499  -0.1422 -0.2644 14 TYR A N   
92  C CA  . TYR A 14 ? 0.5621 0.8707 0.7177 0.3501  -0.1420 -0.2631 14 TYR A CA  
93  C C   . TYR A 14 ? 0.5939 0.9030 0.7463 0.3500  -0.1424 -0.2633 14 TYR A C   
94  O O   . TYR A 14 ? 0.6717 0.9802 0.8226 0.3500  -0.1424 -0.2619 14 TYR A O   
95  C CB  . TYR A 14 ? 0.5603 0.8684 0.7197 0.3503  -0.1415 -0.2634 14 TYR A CB  
96  C CG  . TYR A 14 ? 0.6270 0.9345 0.7861 0.3505  -0.1413 -0.2623 14 TYR A CG  
97  C CD1 . TYR A 14 ? 0.6518 0.9584 0.8114 0.3507  -0.1412 -0.2601 14 TYR A CD1 
98  C CD2 . TYR A 14 ? 0.6292 0.9376 0.7876 0.3505  -0.1414 -0.2635 14 TYR A CD2 
99  C CE1 . TYR A 14 ? 0.6882 0.9943 0.8476 0.3509  -0.1411 -0.2591 14 TYR A CE1 
100 C CE2 . TYR A 14 ? 0.6481 0.9562 0.8064 0.3507  -0.1412 -0.2625 14 TYR A CE2 
101 C CZ  . TYR A 14 ? 0.6897 0.9965 0.8485 0.3509  -0.1410 -0.2603 14 TYR A CZ  
102 O OH  . TYR A 14 ? 0.7281 1.0346 0.8868 0.3511  -0.1409 -0.2594 14 TYR A OH  
103 N N   . GLN A 15 ? 0.5679 0.8784 0.7194 0.3499  -0.1427 -0.2650 15 GLN A N   
104 C CA  . GLN A 15 ? 0.5904 0.9018 0.7391 0.3500  -0.1432 -0.2651 15 GLN A CA  
105 C C   . GLN A 15 ? 0.5886 0.8995 0.7350 0.3499  -0.1436 -0.2637 15 GLN A C   
106 O O   . GLN A 15 ? 0.5990 0.9100 0.7437 0.3500  -0.1438 -0.2629 15 GLN A O   
107 C CB  . GLN A 15 ? 0.6484 0.9620 0.7969 0.3501  -0.1437 -0.2671 15 GLN A CB  
108 C CG  . GLN A 15 ? 0.6291 0.9439 0.7800 0.3504  -0.1434 -0.2689 15 GLN A CG  
109 C CD  . GLN A 15 ? 0.6285 0.9464 0.7782 0.3508  -0.1440 -0.2707 15 GLN A CD  
110 O OE1 . GLN A 15 ? 0.6166 0.9364 0.7666 0.3509  -0.1443 -0.2725 15 GLN A OE1 
111 N NE2 . GLN A 15 ? 0.6467 0.9654 0.7950 0.3511  -0.1441 -0.2701 15 GLN A NE2 
112 N N   . LEU A 16 ? 0.5944 0.9049 0.7410 0.3496  -0.1436 -0.2637 16 LEU A N   
113 C CA  . LEU A 16 ? 0.5938 0.9039 0.7388 0.3495  -0.1438 -0.2628 16 LEU A CA  
114 C C   . LEU A 16 ? 0.5936 0.9027 0.7385 0.3495  -0.1435 -0.2612 16 LEU A C   
115 O O   . LEU A 16 ? 0.5932 0.9020 0.7367 0.3495  -0.1437 -0.2605 16 LEU A O   
116 C CB  . LEU A 16 ? 0.5937 0.9042 0.7392 0.3492  -0.1439 -0.2636 16 LEU A CB  
117 C CG  . LEU A 16 ? 0.5938 0.9054 0.7390 0.3492  -0.1443 -0.2649 16 LEU A CG  
118 C CD1 . LEU A 16 ? 0.5937 0.9057 0.7374 0.3494  -0.1449 -0.2646 16 LEU A CD1 
119 C CD2 . LEU A 16 ? 0.5943 0.9067 0.7410 0.3492  -0.1443 -0.2663 16 LEU A CD2 
120 N N   . GLU A 17 ? 0.6085 0.9171 0.7554 0.3497  -0.1431 -0.2607 17 GLU A N   
121 C CA  . GLU A 17 ? 0.6360 0.9439 0.7831 0.3499  -0.1429 -0.2592 17 GLU A CA  
122 C C   . GLU A 17 ? 0.6489 0.9564 0.7947 0.3500  -0.1429 -0.2583 17 GLU A C   
123 O O   . GLU A 17 ? 0.6979 1.0050 0.8432 0.3501  -0.1429 -0.2570 17 GLU A O   
124 C CB  . GLU A 17 ? 0.6545 0.9621 0.8047 0.3502  -0.1424 -0.2587 17 GLU A CB  
125 C CG  . GLU A 17 ? 0.6541 0.9623 0.8061 0.3502  -0.1423 -0.2592 17 GLU A CG  
126 C CD  . GLU A 17 ? 0.6550 0.9633 0.8097 0.3507  -0.1421 -0.2579 17 GLU A CD  
127 O OE1 . GLU A 17 ? 0.6548 0.9630 0.8091 0.3510  -0.1421 -0.2564 17 GLU A OE1 
128 O OE2 . GLU A 17 ? 0.6179 0.9266 0.7753 0.3509  -0.1419 -0.2582 17 GLU A OE2 
129 N N   . ASN A 18 ? 0.6375 0.9454 0.7827 0.3500  -0.1430 -0.2590 18 ASN A N   
130 C CA  . ASN A 18 ? 0.6374 0.9452 0.7814 0.3502  -0.1431 -0.2582 18 ASN A CA  
131 C C   . ASN A 18 ? 0.6369 0.9446 0.7787 0.3501  -0.1435 -0.2574 18 ASN A C   
132 O O   . ASN A 18 ? 0.6367 0.9441 0.7779 0.3502  -0.1435 -0.2563 18 ASN A O   
133 C CB  . ASN A 18 ? 0.6378 0.9470 0.7817 0.3504  -0.1432 -0.2594 18 ASN A CB  
134 C CG  . ASN A 18 ? 0.6385 0.9480 0.7850 0.3505  -0.1428 -0.2607 18 ASN A CG  
135 O OD1 . ASN A 18 ? 0.6387 0.9471 0.7875 0.3505  -0.1423 -0.2600 18 ASN A OD1 
136 N ND2 . ASN A 18 ? 0.6389 0.9501 0.7854 0.3506  -0.1430 -0.2625 18 ASN A ND2 
137 N N   . TYR A 19 ? 0.6799 0.9879 0.8211 0.3499  -0.1439 -0.2580 19 TYR A N   
138 C CA  . TYR A 19 ? 0.7521 1.0601 0.8921 0.3498  -0.1443 -0.2575 19 TYR A CA  
139 C C   . TYR A 19 ? 0.7310 1.0387 0.8711 0.3496  -0.1442 -0.2572 19 TYR A C   
140 O O   . TYR A 19 ? 0.6970 1.0047 0.8366 0.3495  -0.1445 -0.2573 19 TYR A O   
141 C CB  . TYR A 19 ? 0.7581 1.0669 0.8979 0.3498  -0.1447 -0.2585 19 TYR A CB  
142 C CG  . TYR A 19 ? 0.7528 1.0628 0.8924 0.3501  -0.1450 -0.2591 19 TYR A CG  
143 C CD1 . TYR A 19 ? 0.7522 1.0629 0.8910 0.3505  -0.1453 -0.2585 19 TYR A CD1 
144 C CD2 . TYR A 19 ? 0.7134 1.0241 0.8538 0.3501  -0.1449 -0.2604 19 TYR A CD2 
145 C CE1 . TYR A 19 ? 0.7683 1.0810 0.9069 0.3510  -0.1456 -0.2592 19 TYR A CE1 
146 C CE2 . TYR A 19 ? 0.7463 1.0588 0.8865 0.3505  -0.1451 -0.2613 19 TYR A CE2 
147 C CZ  . TYR A 19 ? 0.7608 1.0745 0.9001 0.3510  -0.1455 -0.2608 19 TYR A CZ  
148 O OH  . TYR A 19 ? 0.7400 1.0562 0.8792 0.3515  -0.1458 -0.2619 19 TYR A OH  
149 N N   . CYS A 20 ? 0.7698 1.0775 0.9108 0.3497  -0.1439 -0.2569 20 CYS A N   
150 C CA  . CYS A 20 ? 0.7294 1.0376 0.8705 0.3497  -0.1439 -0.2567 20 CYS A CA  
151 C C   . CYS A 20 ? 0.6903 0.9981 0.8308 0.3499  -0.1439 -0.2554 20 CYS A C   
152 O O   . CYS A 20 ? 0.6983 1.0055 0.8390 0.3501  -0.1437 -0.2545 20 CYS A O   
153 C CB  . CYS A 20 ? 0.7427 1.0516 0.8854 0.3499  -0.1436 -0.2569 20 CYS A CB  
154 S SG  . CYS A 20 ? 0.6921 1.0015 0.8356 0.3497  -0.1436 -0.2585 20 CYS A SG  
155 N N   . ASN A 21 ? 0.6530 0.9616 0.7932 0.3499  -0.1441 -0.2556 21 ASN A N   
156 C CA  . ASN A 21 ? 0.6301 0.9388 0.7698 0.3501  -0.1442 -0.2545 21 ASN A CA  
157 C C   . ASN A 21 ? 0.6283 0.9373 0.7689 0.3505  -0.1439 -0.2534 21 ASN A C   
158 O O   . ASN A 21 ? 0.6276 0.9360 0.7681 0.3507  -0.1438 -0.2522 21 ASN A O   
159 C CB  . ASN A 21 ? 0.6692 0.9790 0.8086 0.3500  -0.1445 -0.2555 21 ASN A CB  
160 C CG  . ASN A 21 ? 0.6705 0.9800 0.8099 0.3497  -0.1448 -0.2565 21 ASN A CG  
161 O OD1 . ASN A 21 ? 0.6620 0.9705 0.8013 0.3496  -0.1448 -0.2566 21 ASN A OD1 
162 N ND2 . ASN A 21 ? 0.6818 0.9922 0.8216 0.3496  -0.1451 -0.2575 21 ASN A ND2 
163 O OXT . ASN A 21 ? 0.6327 0.9428 0.7744 0.3507  -0.1438 -0.2537 21 ASN A OXT 
164 N N   . PHE B 1  ? 0.5452 0.8151 0.5892 0.0770  -0.2776 0.0723  1  PHE B N   
165 C CA  . PHE B 1  ? 0.5334 0.8239 0.5814 0.0679  -0.2757 0.0621  1  PHE B CA  
166 C C   . PHE B 1  ? 0.5320 0.8352 0.5986 0.0562  -0.2712 0.0498  1  PHE B C   
167 O O   . PHE B 1  ? 0.5438 0.8367 0.5987 0.0577  -0.2588 0.0502  1  PHE B O   
168 C CB  . PHE B 1  ? 0.5231 0.7991 0.5395 0.0724  -0.2646 0.0668  1  PHE B CB  
169 C CG  . PHE B 1  ? 0.5225 0.8141 0.5413 0.0642  -0.2697 0.0610  1  PHE B CG  
170 C CD1 . PHE B 1  ? 0.4974 0.8076 0.5455 0.0509  -0.2852 0.0480  1  PHE B CD1 
171 C CD2 . PHE B 1  ? 0.5433 0.8241 0.5354 0.0702  -0.2636 0.0666  1  PHE B CD2 
172 C CE1 . PHE B 1  ? 0.4948 0.8117 0.5456 0.0433  -0.2956 0.0399  1  PHE B CE1 
173 C CE2 . PHE B 1  ? 0.4970 0.7899 0.4917 0.0609  -0.2724 0.0620  1  PHE B CE2 
174 C CZ  . PHE B 1  ? 0.4918 0.8010 0.5156 0.0468  -0.2895 0.0485  1  PHE B CZ  
175 N N   . VAL B 2  ? 0.5278 0.8431 0.6234 0.0458  -0.2843 0.0362  2  VAL B N   
176 C CA  . VAL B 2  ? 0.5057 0.8268 0.6227 0.0343  -0.2833 0.0217  2  VAL B CA  
177 C C   . VAL B 2  ? 0.5103 0.8338 0.6158 0.0256  -0.2771 0.0183  2  VAL B C   
178 O O   . VAL B 2  ? 0.5498 0.8749 0.6593 0.0189  -0.2700 0.0140  2  VAL B O   
179 C CB  . VAL B 2  ? 0.5240 0.8487 0.6744 0.0303  -0.2965 0.0010  2  VAL B CB  
180 C CG1 . VAL B 2  ? 0.5054 0.8338 0.6798 0.0224  -0.2926 -0.0149 2  VAL B CG1 
181 C CG2 . VAL B 2  ? 0.6226 0.9436 0.7791 0.0401  -0.3048 0.0061  2  VAL B CG2 
182 N N   . ASN B 3  ? 0.5354 0.8582 0.6263 0.0252  -0.2803 0.0198  3  ASN B N   
183 C CA  . ASN B 3  ? 0.5374 0.8567 0.6128 0.0172  -0.2734 0.0177  3  ASN B CA  
184 C C   . ASN B 3  ? 0.5450 0.8512 0.5916 0.0284  -0.2541 0.0258  3  ASN B C   
185 O O   . ASN B 3  ? 0.5725 0.8733 0.6122 0.0262  -0.2482 0.0160  3  ASN B O   
186 C CB  . ASN B 3  ? 0.5187 0.8351 0.5777 0.0180  -0.2782 0.0200  3  ASN B CB  
187 C CG  . ASN B 3  ? 0.5138 0.8251 0.5680 0.0058  -0.2794 0.0088  3  ASN B CG  
188 O OD1 . ASN B 3  ? 0.5561 0.8590 0.6085 -0.0007 -0.2732 0.0048  3  ASN B OD1 
189 N ND2 . ASN B 3  ? 0.4982 0.8100 0.5496 0.0053  -0.2884 0.0002  3  ASN B ND2 
190 N N   . GLN B 4  ? 0.5783 0.8652 0.6070 0.0467  -0.2492 0.0354  4  GLN B N   
191 C CA  . GLN B 4  ? 0.6148 0.8642 0.6193 0.0566  -0.2412 0.0409  4  GLN B CA  
192 C C   . GLN B 4  ? 0.6393 0.8976 0.6634 0.0503  -0.2396 0.0347  4  GLN B C   
193 O O   . GLN B 4  ? 0.6856 0.9217 0.6963 0.0462  -0.2363 0.0385  4  GLN B O   
194 C CB  . GLN B 4  ? 0.5746 0.8038 0.5624 0.0687  -0.2363 0.0554  4  GLN B CB  
195 C CG  . GLN B 4  ? 0.5813 0.7781 0.5505 0.0711  -0.2267 0.0656  4  GLN B CG  
196 C CD  . GLN B 4  ? 0.5434 0.7352 0.5153 0.0763  -0.2293 0.0782  4  GLN B CD  
197 O OE1 . GLN B 4  ? 0.5187 0.7248 0.5022 0.0799  -0.2382 0.0801  4  GLN B OE1 
198 N NE2 . GLN B 4  ? 0.5398 0.7100 0.5030 0.0732  -0.2219 0.0887  4  GLN B NE2 
199 N N   . HIS B 5  ? 0.5880 0.8772 0.6434 0.0439  -0.2430 0.0319  5  HIS B N   
200 C CA  . HIS B 5  ? 0.5375 0.8361 0.6127 0.0371  -0.2407 0.0266  5  HIS B CA  
201 C C   . HIS B 5  ? 0.5400 0.8514 0.6268 0.0214  -0.2395 0.0154  5  HIS B C   
202 O O   . HIS B 5  ? 0.5859 0.8894 0.6717 0.0229  -0.2345 0.0087  5  HIS B O   
203 C CB  . HIS B 5  ? 0.5077 0.8229 0.6138 0.0318  -0.2503 0.0260  5  HIS B CB  
204 C CG  . HIS B 5  ? 0.5207 0.8408 0.6446 0.0277  -0.2477 0.0220  5  HIS B CG  
205 N ND1 . HIS B 5  ? 0.4674 0.7967 0.6130 0.0138  -0.2490 0.0097  5  HIS B ND1 
206 C CD2 . HIS B 5  ? 0.4968 0.8111 0.6208 0.0355  -0.2444 0.0275  5  HIS B CD2 
207 C CE1 . HIS B 5  ? 0.5283 0.8586 0.6853 0.0138  -0.2455 0.0087  5  HIS B CE1 
208 N NE2 . HIS B 5  ? 0.5098 0.8336 0.6542 0.0264  -0.2432 0.0197  5  HIS B NE2 
209 N N   . LEU B 6  ? 0.5724 0.8913 0.6719 0.0064  -0.2491 0.0110  6  LEU B N   
210 C CA  . LEU B 6  ? 0.6205 0.9378 0.7358 -0.0069 -0.2539 -0.0072 6  LEU B CA  
211 C C   . LEU B 6  ? 0.6560 0.9540 0.7391 -0.0031 -0.2458 -0.0040 6  LEU B C   
212 O O   . LEU B 6  ? 0.7700 1.0936 0.8543 -0.0100 -0.2284 -0.0157 6  LEU B O   
213 C CB  . LEU B 6  ? 0.5786 0.9049 0.7108 -0.0080 -0.2594 -0.0321 6  LEU B CB  
214 C CG  . LEU B 6  ? 0.5660 0.8995 0.7283 -0.0050 -0.2680 -0.0448 6  LEU B CG  
215 C CD1 . LEU B 6  ? 0.5845 0.9265 0.7646 -0.0067 -0.2715 -0.0724 6  LEU B CD1 
216 C CD2 . LEU B 6  ? 0.5910 0.9292 0.7797 -0.0064 -0.2641 -0.0565 6  LEU B CD2 
217 N N   . CYS B 7  ? 0.6526 0.9281 0.6987 0.0077  -0.2432 0.0112  7  CYS B N   
218 C CA  . CYS B 7  ? 0.7873 1.0610 0.7936 0.0005  -0.2204 0.0308  7  CYS B CA  
219 C C   . CYS B 7  ? 0.7951 1.0570 0.7894 0.0021  -0.2081 0.0458  7  CYS B C   
220 O O   . CYS B 7  ? 0.7824 1.0531 0.7541 -0.0067 -0.1888 0.0550  7  CYS B O   
221 C CB  . CYS B 7  ? 0.7672 1.0130 0.7396 0.0078  -0.2179 0.0474  7  CYS B CB  
222 S SG  . CYS B 7  ? 0.5856 0.8236 0.5106 -0.0021 -0.1890 0.0689  7  CYS B SG  
223 N N   . GLY B 8  ? 0.7371 0.9816 0.7439 0.0146  -0.2173 0.0461  8  GLY B N   
224 C CA  . GLY B 8  ? 0.7369 0.9726 0.7373 0.0156  -0.2070 0.0563  8  GLY B CA  
225 C C   . GLY B 8  ? 0.6388 0.9053 0.6600 0.0045  -0.2035 0.0450  8  GLY B C   
226 O O   . GLY B 8  ? 0.6077 0.8769 0.6103 0.0001  -0.1875 0.0557  8  GLY B O   
227 N N   . SER B 9  ? 0.7648 1.0556 0.8253 0.0005  -0.2162 0.0204  9  SER B N   
228 C CA  . SER B 9  ? 0.7224 1.0475 0.8066 -0.0095 -0.2078 0.0007  9  SER B CA  
229 C C   . SER B 9  ? 0.7150 1.0327 0.7730 -0.0193 -0.1737 -0.0055 9  SER B C   
230 O O   . SER B 9  ? 0.7290 1.0465 0.7877 -0.0244 -0.1526 -0.0157 9  SER B O   
231 C CB  . SER B 9  ? 0.7069 1.0434 0.8381 -0.0113 -0.2205 -0.0283 9  SER B CB  
232 O OG  . SER B 9  ? 0.7012 1.0385 0.8347 -0.0125 -0.2270 -0.0358 9  SER B OG  
233 N N   . HIS B 10 ? 0.6584 0.9679 0.6928 -0.0218 -0.1669 0.0002  10 HIS B N   
234 C CA  . HIS B 10 ? 0.6907 0.9882 0.6951 -0.0303 -0.1333 -0.0012 10 HIS B CA  
235 C C   . HIS B 10 ? 0.6862 0.9643 0.6435 -0.0272 -0.1207 0.0308  10 HIS B C   
236 O O   . HIS B 10 ? 0.6362 0.9030 0.5678 -0.0327 -0.0911 0.0319  10 HIS B O   
237 C CB  . HIS B 10 ? 0.8370 1.1362 0.8413 -0.0353 -0.1302 -0.0136 10 HIS B CB  
238 C CG  . HIS B 10 ? 0.7678 1.0863 0.8177 -0.0398 -0.1365 -0.0490 10 HIS B CG  
239 N ND1 . HIS B 10 ? 0.7681 1.0901 0.8312 -0.0504 -0.1101 -0.0755 10 HIS B ND1 
240 C CD2 . HIS B 10 ? 0.6939 1.0290 0.7799 -0.0350 -0.1660 -0.0628 10 HIS B CD2 
241 C CE1 . HIS B 10 ? 0.7467 1.0878 0.8539 -0.0523 -0.1231 -0.1050 10 HIS B CE1 
242 N NE2 . HIS B 10 ? 0.6631 1.0127 0.7846 -0.0427 -0.1576 -0.0979 10 HIS B NE2 
243 N N   . LEU B 11 ? 0.6919 0.9652 0.6373 -0.0184 -0.1419 0.0563  11 LEU B N   
244 C CA  . LEU B 11 ? 0.7435 0.9997 0.6476 -0.0150 -0.1315 0.0861  11 LEU B CA  
245 C C   . LEU B 11 ? 0.7101 0.9658 0.6132 -0.0135 -0.1216 0.0884  11 LEU B C   
246 O O   . LEU B 11 ? 0.6848 0.9275 0.5546 -0.0145 -0.0989 0.1004  11 LEU B O   
247 C CB  . LEU B 11 ? 0.7742 0.9960 0.6776 -0.0039 -0.1427 0.0986  11 LEU B CB  
248 C CG  . LEU B 11 ? 0.7002 0.9024 0.5829 -0.0030 -0.1379 0.1052  11 LEU B CG  
249 C CD1 . LEU B 11 ? 0.6548 0.8213 0.5092 -0.0002 -0.1156 0.1186  11 LEU B CD1 
250 C CD2 . LEU B 11 ? 0.7486 0.9803 0.6246 -0.0141 -0.1348 0.0963  11 LEU B CD2 
251 N N   . VAL B 12 ? 0.6659 0.9358 0.6052 -0.0105 -0.1385 0.0765  12 VAL B N   
252 C CA  . VAL B 12 ? 0.6141 0.8853 0.5548 -0.0085 -0.1310 0.0771  12 VAL B CA  
253 C C   . VAL B 12 ? 0.5761 0.8446 0.5089 -0.0162 -0.0998 0.0591  12 VAL B C   
254 O O   . VAL B 12 ? 0.5903 0.8496 0.4974 -0.0149 -0.0818 0.0684  12 VAL B O   
255 C CB  . VAL B 12 ? 0.6048 0.8924 0.5887 -0.0040 -0.1565 0.0667  12 VAL B CB  
256 C CG1 A VAL B 12 ? 0.6402 0.8885 0.6249 0.0072  -0.1669 0.0766  12 VAL B CG1 
257 C CG1 B VAL B 12 ? 0.5520 0.8425 0.5390 -0.0024 -0.1481 0.0642  12 VAL B CG1 
258 C CG2 A VAL B 12 ? 0.5969 0.8997 0.6204 -0.0088 -0.1640 0.0368  12 VAL B CG2 
259 C CG2 B VAL B 12 ? 0.6431 0.8930 0.6301 0.0068  -0.1685 0.0750  12 VAL B CG2 
260 N N   . GLU B 13 ? 0.4426 0.7187 0.3973 -0.0240 -0.0926 0.0328  13 GLU B N   
261 C CA  . GLU B 13 ? 0.5026 0.7743 0.4499 -0.0319 -0.0608 0.0152  13 GLU B CA  
262 C C   . GLU B 13 ? 0.6518 0.9035 0.5521 -0.0347 -0.0340 0.0302  13 GLU B C   
263 O O   . GLU B 13 ? 0.5733 0.8149 0.4530 -0.0379 -0.0058 0.0267  13 GLU B O   
264 C CB  . GLU B 13 ? 0.4733 0.7583 0.4584 -0.0400 -0.0594 -0.0178 13 GLU B CB  
265 C CG  . GLU B 13 ? 0.5556 0.8387 0.5371 -0.0449 -0.0574 -0.0226 13 GLU B CG  
266 C CD  . GLU B 13 ? 0.5410 0.8380 0.5608 -0.0534 -0.0527 -0.0579 13 GLU B CD  
267 O OE1 . GLU B 13 ? 0.5022 0.8115 0.5549 -0.0547 -0.0555 -0.0778 13 GLU B OE1 
268 O OE2 . GLU B 13 ? 0.5385 0.8345 0.5566 -0.0588 -0.0459 -0.0667 13 GLU B OE2 
269 N N   . ALA B 14 ? 0.6161 0.8611 0.4982 -0.0332 -0.0418 0.0470  14 ALA B N   
270 C CA  . ALA B 14 ? 0.6305 0.8559 0.4667 -0.0347 -0.0183 0.0645  14 ALA B CA  
271 C C   . ALA B 14 ? 0.6725 0.8867 0.4768 -0.0270 -0.0144 0.0903  14 ALA B C   
272 O O   . ALA B 14 ? 0.6412 0.8375 0.4163 -0.0276 0.0123  0.0949  14 ALA B O   
273 C CB  . ALA B 14 ? 0.7046 0.9267 0.5312 -0.0349 -0.0291 0.0750  14 ALA B CB  
274 N N   . LEU B 15 ? 0.6325 0.8531 0.4465 -0.0188 -0.0409 0.1050  15 LEU B N   
275 C CA  . LEU B 15 ? 0.6924 0.8823 0.5016 -0.0099 -0.0353 0.1148  15 LEU B CA  
276 C C   . LEU B 15 ? 0.6118 0.8107 0.4141 -0.0097 -0.0219 0.1092  15 LEU B C   
277 O O   . LEU B 15 ? 0.7099 0.8762 0.4993 -0.0053 -0.0062 0.1104  15 LEU B O   
278 C CB  . LEU B 15 ? 0.7008 0.8844 0.5341 -0.0024 -0.0601 0.1204  15 LEU B CB  
279 C CG  . LEU B 15 ? 0.6929 0.8568 0.5302 -0.0002 -0.0696 0.1240  15 LEU B CG  
280 C CD1 . LEU B 15 ? 0.6751 0.8233 0.5297 0.0075  -0.0852 0.1252  15 LEU B CD1 
281 C CD2 . LEU B 15 ? 0.7260 0.8564 0.5397 -0.0004 -0.0499 0.1258  15 LEU B CD2 
282 N N   . TYR B 16 ? 0.6202 0.8481 0.4450 -0.0138 -0.0282 0.0921  16 TYR B N   
283 C CA  . TYR B 16 ? 0.6120 0.8410 0.4369 -0.0135 -0.0125 0.0802  16 TYR B CA  
284 C C   . TYR B 16 ? 0.6157 0.8280 0.4067 -0.0184 0.0238  0.0764  16 TYR B C   
285 O O   . TYR B 16 ? 0.6641 0.8597 0.4341 -0.0135 0.0392  0.0811  16 TYR B O   
286 C CB  . TYR B 16 ? 0.5580 0.8053 0.4307 -0.0173 -0.0233 0.0523  16 TYR B CB  
287 C CG  . TYR B 16 ? 0.5619 0.8100 0.4354 -0.0180 -0.0049 0.0370  16 TYR B CG  
288 C CD1 . TYR B 16 ? 0.5505 0.8042 0.4265 -0.0103 -0.0143 0.0429  16 TYR B CD1 
289 C CD2 . TYR B 16 ? 0.5463 0.7892 0.4180 -0.0265 0.0225  0.0162  16 TYR B CD2 
290 C CE1 . TYR B 16 ? 0.5551 0.8092 0.4299 -0.0103 0.0023  0.0288  16 TYR B CE1 
291 C CE2 . TYR B 16 ? 0.5458 0.7877 0.4159 -0.0269 0.0405  0.0028  16 TYR B CE2 
292 C CZ  . TYR B 16 ? 0.5522 0.7998 0.4230 -0.0185 0.0298  0.0093  16 TYR B CZ  
293 O OH  . TYR B 16 ? 0.4930 0.7394 0.3605 -0.0183 0.0474  -0.0044 16 TYR B OH  
294 N N   . LEU B 17 ? 0.6509 0.8592 0.4432 -0.0272 0.0367  0.0648  17 LEU B N   
295 C CA  . LEU B 17 ? 0.6037 0.7943 0.3659 -0.0325 0.0727  0.0602  17 LEU B CA  
296 C C   . LEU B 17 ? 0.6895 0.8219 0.4338 -0.0232 0.0759  0.0749  17 LEU B C   
297 O O   . LEU B 17 ? 0.7123 0.8031 0.4395 -0.0215 0.0967  0.0703  17 LEU B O   
298 C CB  . LEU B 17 ? 0.5694 0.7628 0.3499 -0.0437 0.0829  0.0386  17 LEU B CB  
299 C CG  . LEU B 17 ? 0.5853 0.7575 0.3476 -0.0499 0.1204  0.0268  17 LEU B CG  
300 C CD1 . LEU B 17 ? 0.5665 0.7470 0.3406 -0.0537 0.1366  0.0056  17 LEU B CD1 
301 C CD2 . LEU B 17 ? 0.5956 0.7735 0.3672 -0.0615 0.1300  0.0122  17 LEU B CD2 
302 N N   . VAL B 18 ? 0.7551 0.8810 0.5029 -0.0190 0.0555  0.0884  18 VAL B N   
303 C CA  . VAL B 18 ? 0.8253 0.8995 0.5577 -0.0153 0.0595  0.0933  18 VAL B CA  
304 C C   . VAL B 18 ? 0.8327 0.8842 0.5606 -0.0105 0.0544  0.0962  18 VAL B C   
305 O O   . VAL B 18 ? 0.8824 0.9074 0.5953 -0.0134 0.0666  0.0939  18 VAL B O   
306 C CB  . VAL B 18 ? 0.8105 0.8859 0.5502 -0.0141 0.0429  0.1013  18 VAL B CB  
307 C CG1 . VAL B 18 ? 0.8462 0.8828 0.5770 -0.0109 0.0409  0.1049  18 VAL B CG1 
308 C CG2 . VAL B 18 ? 0.7917 0.8759 0.5280 -0.0208 0.0530  0.0964  18 VAL B CG2 
309 N N   . CYS B 19 ? 0.8636 0.9404 0.6094 -0.0044 0.0349  0.1031  19 CYS B N   
310 C CA  . CYS B 19 ? 0.8365 0.8960 0.5815 0.0000  0.0294  0.1049  19 CYS B CA  
311 C C   . CYS B 19 ? 0.8717 0.9311 0.6071 -0.0004 0.0423  0.0989  19 CYS B C   
312 O O   . CYS B 19 ? 0.9167 0.9635 0.6439 0.0005  0.0486  0.1000  19 CYS B O   
313 C CB  . CYS B 19 ? 0.8635 0.9465 0.6321 0.0063  0.0066  0.1123  19 CYS B CB  
314 S SG  . CYS B 19 ? 0.8273 0.9081 0.6077 0.0064  -0.0084 0.1175  19 CYS B SG  
315 N N   . GLY B 20 ? 0.7254 1.1323 0.8338 -0.1259 -0.1308 -0.0569 20 GLY B N   
316 C CA  . GLY B 20 ? 0.6848 1.0944 0.7897 -0.1271 -0.1331 -0.0589 20 GLY B CA  
317 C C   . GLY B 20 ? 0.6584 1.0688 0.7696 -0.1248 -0.1381 -0.0636 20 GLY B C   
318 O O   . GLY B 20 ? 0.6470 1.0594 0.7632 -0.1240 -0.1367 -0.0658 20 GLY B O   
319 N N   . GLU B 21 ? 0.7321 1.1406 0.8429 -0.1238 -0.1441 -0.0652 21 GLU B N   
320 C CA  . GLU B 21 ? 0.7598 1.1688 0.8761 -0.1216 -0.1492 -0.0695 21 GLU B CA  
321 C C   . GLU B 21 ? 0.8616 1.2681 0.9864 -0.1188 -0.1513 -0.0708 21 GLU B C   
322 O O   . GLU B 21 ? 0.8640 1.2716 0.9943 -0.1173 -0.1539 -0.0742 21 GLU B O   
323 C CB  . GLU B 21 ? 0.6829 1.0900 0.7959 -0.1213 -0.1553 -0.0706 21 GLU B CB  
324 C CG  . GLU B 21 ? 0.6161 1.0257 0.7207 -0.1241 -0.1540 -0.0697 21 GLU B CG  
325 C CD  . GLU B 21 ? 0.4798 0.8872 0.5812 -0.1236 -0.1606 -0.0712 21 GLU B CD  
326 O OE1 . GLU B 21 ? 0.3990 0.8037 0.5052 -0.1209 -0.1663 -0.0737 21 GLU B OE1 
327 O OE2 . GLU B 21 ? 0.4228 0.8309 0.5166 -0.1259 -0.1602 -0.0698 21 GLU B OE2 
328 N N   . ARG B 22 ? 0.8226 1.2259 0.9485 -0.1182 -0.1502 -0.0682 22 ARG B N   
329 C CA  . ARG B 22 ? 0.9215 1.3224 1.0553 -0.1157 -0.1520 -0.0693 22 ARG B CA  
330 C C   . ARG B 22 ? 0.9777 1.3810 1.1163 -0.1156 -0.1482 -0.0704 22 ARG B C   
331 O O   . ARG B 22 ? 1.0184 1.4218 1.1639 -0.1138 -0.1507 -0.0731 22 ARG B O   
332 C CB  . ARG B 22 ? 0.8223 1.2194 0.9556 -0.1153 -0.1513 -0.0660 22 ARG B CB  
333 C CG  . ARG B 22 ? 0.7989 1.1928 0.9293 -0.1146 -0.1564 -0.0655 22 ARG B CG  
334 C CD  A ARG B 22 ? 0.7061 1.0966 0.8354 -0.1144 -0.1550 -0.0622 22 ARG B CD  
335 C CD  B ARG B 22 ? 0.7761 1.1666 0.9053 -0.1144 -0.1550 -0.0621 22 ARG B CD  
336 N NE  A ARG B 22 ? 0.7349 1.1264 0.8572 -0.1171 -0.1493 -0.0584 22 ARG B NE  
337 N NE  B ARG B 22 ? 0.7110 1.0998 0.8474 -0.1125 -0.1549 -0.0624 22 ARG B NE  
338 C CZ  A ARG B 22 ? 0.7251 1.1142 0.8449 -0.1176 -0.1469 -0.0549 22 ARG B CZ  
339 C CZ  B ARG B 22 ? 0.6989 1.0846 0.8360 -0.1119 -0.1542 -0.0601 22 ARG B CZ  
340 N NH1 A ARG B 22 ? 0.7143 1.0998 0.8381 -0.1155 -0.1496 -0.0547 22 ARG B NH1 
341 N NH1 B ARG B 22 ? 0.7072 1.0910 0.8382 -0.1129 -0.1535 -0.0571 22 ARG B NH1 
342 N NH2 A ARG B 22 ? 0.7079 1.0982 0.8208 -0.1203 -0.1416 -0.0514 22 ARG B NH2 
343 N NH2 B ARG B 22 ? 0.6961 1.0806 0.8399 -0.1102 -0.1541 -0.0606 22 ARG B NH2 
344 N N   . GLY B 23 ? 1.0742 1.4794 1.2092 -0.1176 -0.1421 -0.0682 23 GLY B N   
345 C CA  . GLY B 23 ? 1.0512 1.4580 1.1903 -0.1174 -0.1383 -0.0689 23 GLY B CA  
346 C C   . GLY B 23 ? 1.1398 1.5435 1.2820 -0.1166 -0.1361 -0.0666 23 GLY B C   
347 O O   . GLY B 23 ? 1.0874 1.4877 1.2296 -0.1158 -0.1379 -0.0648 23 GLY B O   
348 N N   . PHE B 24 ? 0.7818 1.1866 0.9266 -0.1168 -0.1321 -0.0666 24 PHE B N   
349 C CA  . PHE B 24 ? 0.6522 1.0541 0.7991 -0.1162 -0.1294 -0.0643 24 PHE B CA  
350 C C   . PHE B 24 ? 0.5903 0.9926 0.7443 -0.1151 -0.1288 -0.0665 24 PHE B C   
351 O O   . PHE B 24 ? 0.5900 0.9953 0.7458 -0.1152 -0.1290 -0.0693 24 PHE B O   
352 C CB  . PHE B 24 ? 0.6014 1.0035 0.7412 -0.1184 -0.1235 -0.0604 24 PHE B CB  
353 C CG  . PHE B 24 ? 0.5559 0.9617 0.6928 -0.1201 -0.1194 -0.0610 24 PHE B CG  
354 C CD1 . PHE B 24 ? 0.4963 0.9023 0.6361 -0.1200 -0.1160 -0.0611 24 PHE B CD1 
355 C CD2 . PHE B 24 ? 0.5486 0.9578 0.6799 -0.1219 -0.1192 -0.0615 24 PHE B CD2 
356 C CE1 . PHE B 24 ? 0.4673 0.8768 0.6045 -0.1214 -0.1124 -0.0618 24 PHE B CE1 
357 C CE2 . PHE B 24 ? 0.4876 0.9005 0.6163 -0.1235 -0.1154 -0.0621 24 PHE B CE2 
358 C CZ  . PHE B 24 ? 0.4687 0.8818 0.6004 -0.1232 -0.1120 -0.0624 24 PHE B CZ  
359 N N   . PHE B 25 ? 0.5514 0.9506 0.7091 -0.1140 -0.1280 -0.0651 25 PHE B N   
360 C CA  . PHE B 25 ? 0.5212 0.9202 0.6852 -0.1131 -0.1270 -0.0665 25 PHE B CA  
361 C C   . PHE B 25 ? 0.4459 0.8432 0.6075 -0.1140 -0.1217 -0.0634 25 PHE B C   
362 O O   . PHE B 25 ? 0.4661 0.8608 0.6253 -0.1141 -0.1206 -0.0603 25 PHE B O   
363 C CB  . PHE B 25 ? 0.5069 0.9037 0.6785 -0.1110 -0.1314 -0.0681 25 PHE B CB  
364 C CG  . PHE B 25 ? 0.5312 0.9243 0.7027 -0.1103 -0.1322 -0.0656 25 PHE B CG  
365 C CD1 . PHE B 25 ? 0.5418 0.9340 0.7105 -0.1100 -0.1354 -0.0650 25 PHE B CD1 
366 C CD2 . PHE B 25 ? 0.5251 0.9156 0.6994 -0.1098 -0.1300 -0.0639 25 PHE B CD2 
367 C CE1 . PHE B 25 ? 0.5287 0.9175 0.6974 -0.1093 -0.1362 -0.0629 25 PHE B CE1 
368 C CE2 . PHE B 25 ? 0.5524 0.9397 0.7267 -0.1091 -0.1306 -0.0617 25 PHE B CE2 
369 C CZ  . PHE B 25 ? 0.5437 0.9303 0.7153 -0.1088 -0.1337 -0.0612 25 PHE B CZ  
370 N N   . TYR B 26 ? 0.4139 0.8129 0.5763 -0.1146 -0.1185 -0.0641 26 TYR B N   
371 C CA  . TYR B 26 ? 0.4227 0.8202 0.5830 -0.1153 -0.1135 -0.0614 26 TYR B CA  
372 C C   . TYR B 26 ? 0.4173 0.8129 0.5852 -0.1139 -0.1141 -0.0628 26 TYR B C   
373 O O   . TYR B 26 ? 0.4586 0.8562 0.6306 -0.1135 -0.1149 -0.0657 26 TYR B O   
374 C CB  . TYR B 26 ? 0.4252 0.8257 0.5797 -0.1173 -0.1093 -0.0610 26 TYR B CB  
375 C CG  . TYR B 26 ? 0.4088 0.8077 0.5601 -0.1182 -0.1042 -0.0579 26 TYR B CG  
376 C CD1 . TYR B 26 ? 0.4356 0.8326 0.5806 -0.1192 -0.1016 -0.0539 26 TYR B CD1 
377 C CD2 . TYR B 26 ? 0.4130 0.8122 0.5674 -0.1179 -0.1021 -0.0591 26 TYR B CD2 
378 C CE1 . TYR B 26 ? 0.4694 0.8647 0.6110 -0.1201 -0.0971 -0.0510 26 TYR B CE1 
379 C CE2 . TYR B 26 ? 0.4326 0.8300 0.5840 -0.1187 -0.0977 -0.0563 26 TYR B CE2 
380 C CZ  . TYR B 26 ? 0.4601 0.8556 0.6049 -0.1198 -0.0952 -0.0523 26 TYR B CZ  
381 O OH  . TYR B 26 ? 0.4437 0.8373 0.5850 -0.1205 -0.0909 -0.0494 26 TYR B OH  
382 N N   . THR B 27 ? 0.3851 0.7771 0.5550 -0.1131 -0.1138 -0.0607 27 THR B N   
383 C CA  . THR B 27 ? 0.3506 0.7405 0.5278 -0.1118 -0.1146 -0.0616 27 THR B CA  
384 C C   . THR B 27 ? 0.3444 0.7311 0.5199 -0.1121 -0.1109 -0.0583 27 THR B C   
385 O O   . THR B 27 ? 0.2884 0.6722 0.4643 -0.1114 -0.1117 -0.0564 27 THR B O   
386 C CB  . THR B 27 ? 0.3863 0.7751 0.5698 -0.1101 -0.1197 -0.0633 27 THR B CB  
387 O OG1 . THR B 27 ? 0.4042 0.7958 0.5884 -0.1099 -0.1233 -0.0662 27 THR B OG1 
388 C CG2 . THR B 27 ? 0.3737 0.7608 0.5647 -0.1090 -0.1206 -0.0645 27 THR B CG2 
389 N N   . PRO B 28 ? 0.3107 0.6977 0.4838 -0.1130 -0.1069 -0.0575 28 PRO B N   
390 C CA  . PRO B 28 ? 0.2994 0.6831 0.4714 -0.1132 -0.1036 -0.0545 28 PRO B CA  
391 C C   . PRO B 28 ? 0.2894 0.6705 0.4694 -0.1117 -0.1054 -0.0554 28 PRO B C   
392 O O   . PRO B 28 ? 0.3013 0.6791 0.4817 -0.1112 -0.1047 -0.0531 28 PRO B O   
393 C CB  . PRO B 28 ? 0.3374 0.7226 0.5049 -0.1145 -0.0992 -0.0539 28 PRO B CB  
394 C CG  . PRO B 28 ? 0.3444 0.7334 0.5146 -0.1145 -0.1009 -0.0576 28 PRO B CG  
395 C CD  . PRO B 28 ? 0.3674 0.7579 0.5386 -0.1140 -0.1051 -0.0592 28 PRO B CD  
396 N N   . LYS B 29 ? 0.3010 0.6835 0.4873 -0.1110 -0.1077 -0.0587 29 LYS B N   
397 C CA  . LYS B 29 ? 0.2701 0.6505 0.4643 -0.1098 -0.1096 -0.0596 29 LYS B CA  
398 C C   . LYS B 29 ? 0.2527 0.6345 0.4528 -0.1087 -0.1146 -0.0627 29 LYS B C   
399 O O   . LYS B 29 ? 0.2529 0.6329 0.4582 -0.1077 -0.1172 -0.0629 29 LYS B O   
400 C CB  . LYS B 29 ? 0.2620 0.6423 0.4587 -0.1100 -0.1074 -0.0604 29 LYS B CB  
401 C CG  . LYS B 29 ? 0.2565 0.6329 0.4532 -0.1100 -0.1047 -0.0577 29 LYS B CG  
402 C CD  . LYS B 29 ? 0.2797 0.6549 0.4681 -0.1110 -0.1010 -0.0542 29 LYS B CD  
403 C CE  . LYS B 29 ? 0.2919 0.6699 0.4740 -0.1124 -0.0980 -0.0541 29 LYS B CE  
404 N NZ  . LYS B 29 ? 0.3091 0.6863 0.4824 -0.1135 -0.0946 -0.0505 29 LYS B NZ  
405 O OXT . LYS B 29 ? 0.2561 0.6411 0.4556 -0.1089 -0.1162 -0.0650 29 LYS B OXT 
406 N N   . GLY C 1  ? 0.5492 0.8941 0.9651 0.1502  -0.1696 -0.0955 1  GLY C N   
407 C CA  . GLY C 1  ? 0.6015 0.9523 1.0157 0.1516  -0.1715 -0.0931 1  GLY C CA  
408 C C   . GLY C 1  ? 0.6910 1.0474 1.1089 0.1487  -0.1703 -0.0826 1  GLY C C   
409 O O   . GLY C 1  ? 0.6668 1.0244 1.0894 0.1460  -0.1671 -0.0770 1  GLY C O   
410 N N   . ILE C 2  ? 0.8243 1.1850 1.2399 0.1498  -0.1731 -0.0804 2  ILE C N   
411 C CA  . ILE C 2  ? 0.8111 1.1780 1.2299 0.1471  -0.1723 -0.0704 2  ILE C CA  
412 C C   . ILE C 2  ? 0.8139 1.1748 1.2283 0.1437  -0.1790 -0.0680 2  ILE C C   
413 O O   . ILE C 2  ? 0.8087 1.1757 1.2281 0.1407  -0.1760 -0.0597 2  ILE C O   
414 C CB  . ILE C 2  ? 0.8146 1.1867 1.2309 0.1490  -0.1748 -0.0694 2  ILE C CB  
415 C CG1 . ILE C 2  ? 0.8126 1.1896 1.2307 0.1460  -0.1757 -0.0595 2  ILE C CG1 
416 C CG2 . ILE C 2  ? 0.8259 1.1889 1.2309 0.1525  -0.1846 -0.0794 2  ILE C CG2 
417 C CD1 . ILE C 2  ? 0.8171 1.1978 1.2316 0.1478  -0.1796 -0.0588 2  ILE C CD1 
418 N N   . VAL C 3  ? 0.7733 1.1232 1.1783 0.1442  -0.1889 -0.0749 3  VAL C N   
419 C CA  . VAL C 3  ? 0.7623 1.1071 1.1628 0.1398  -0.1970 -0.0718 3  VAL C CA  
420 C C   . VAL C 3  ? 0.7381 1.0851 1.1440 0.1371  -0.1923 -0.0697 3  VAL C C   
421 O O   . VAL C 3  ? 0.6673 1.0199 1.0749 0.1327  -0.1937 -0.0622 3  VAL C O   
422 C CB  . VAL C 3  ? 0.7618 1.0919 1.1503 0.1411  -0.2098 -0.0803 3  VAL C CB  
423 C CG1 . VAL C 3  ? 0.6811 1.0064 1.0644 0.1350  -0.2198 -0.0751 3  VAL C CG1 
424 C CG2 . VAL C 3  ? 0.6941 1.0222 1.0766 0.1453  -0.2141 -0.0841 3  VAL C CG2 
425 N N   . GLU C 4  ? 0.7243 1.0682 1.1327 0.1397  -0.1870 -0.0762 4  GLU C N   
426 C CA  . GLU C 4  ? 0.6761 1.0208 1.0888 0.1379  -0.1830 -0.0756 4  GLU C CA  
427 C C   . GLU C 4  ? 0.5729 0.9296 0.9947 0.1369  -0.1742 -0.0669 4  GLU C C   
428 O O   . GLU C 4  ? 0.5920 0.9524 1.0166 0.1350  -0.1726 -0.0641 4  GLU C O   
429 C CB  . GLU C 4  ? 0.6865 1.0246 1.0993 0.1410  -0.1797 -0.0847 4  GLU C CB  
430 C CG  . GLU C 4  ? 0.6128 0.9492 1.0282 0.1394  -0.1774 -0.0860 4  GLU C CG  
431 C CD  . GLU C 4  ? 0.5101 0.8391 0.9247 0.1422  -0.1752 -0.0952 4  GLU C CD  
432 O OE1 . GLU C 4  ? 0.4977 0.8240 0.9093 0.1453  -0.1761 -0.1008 4  GLU C OE1 
433 O OE2 . GLU C 4  ? 0.4260 0.7532 0.8429 0.1414  -0.1728 -0.0970 4  GLU C OE2 
434 N N   . GLN C 5  ? 0.5059 0.8692 0.9322 0.1386  -0.1687 -0.0627 5  GLN C N   
435 C CA  . GLN C 5  ? 0.4556 0.8285 0.8902 0.1388  -0.1608 -0.0554 5  GLN C CA  
436 C C   . GLN C 5  ? 0.4451 0.8273 0.8808 0.1365  -0.1623 -0.0462 5  GLN C C   
437 O O   . GLN C 5  ? 0.4423 0.8322 0.8818 0.1353  -0.1601 -0.0408 5  GLN C O   
438 C CB  . GLN C 5  ? 0.4857 0.8605 0.9256 0.1417  -0.1539 -0.0559 5  GLN C CB  
439 C CG  . GLN C 5  ? 0.4391 0.8214 0.8872 0.1426  -0.1470 -0.0492 5  GLN C CG  
440 C CD  . GLN C 5  ? 0.4645 0.8500 0.9182 0.1445  -0.1423 -0.0479 5  GLN C CD  
441 O OE1 . GLN C 5  ? 0.5005 0.8844 0.9528 0.1450  -0.1431 -0.0523 5  GLN C OE1 
442 N NE2 . GLN C 5  ? 0.4594 0.8510 0.9199 0.1455  -0.1380 -0.0418 5  GLN C NE2 
443 N N   . CYS C 6  ? 0.4455 0.8282 0.8778 0.1361  -0.1663 -0.0443 6  CYS C N   
444 C CA  . CYS C 6  ? 0.4443 0.8365 0.8781 0.1340  -0.1673 -0.0351 6  CYS C CA  
445 C C   . CYS C 6  ? 0.4486 0.8421 0.8767 0.1293  -0.1765 -0.0318 6  CYS C C   
446 O O   . CYS C 6  ? 0.4469 0.8510 0.8771 0.1266  -0.1770 -0.0231 6  CYS C O   
447 C CB  . CYS C 6  ? 0.4454 0.8386 0.8785 0.1355  -0.1674 -0.0340 6  CYS C CB  
448 S SG  . CYS C 6  ? 0.4755 0.8726 0.9169 0.1393  -0.1573 -0.0340 6  CYS C SG  
449 N N   . CYS C 7  ? 0.7400 0.9372 0.3685 0.2213  0.0066  0.0545  7  CYS C N   
450 C CA  . CYS C 7  ? 0.7521 0.9503 0.3851 0.2259  0.0046  0.0590  7  CYS C CA  
451 C C   . CYS C 7  ? 0.7747 0.9780 0.4079 0.2261  0.0050  0.0612  7  CYS C C   
452 O O   . CYS C 7  ? 0.7499 0.9544 0.3857 0.2292  0.0035  0.0650  7  CYS C O   
453 C CB  . CYS C 7  ? 0.7405 0.9434 0.3764 0.2299  0.0014  0.0583  7  CYS C CB  
454 S SG  . CYS C 7  ? 0.6127 0.8085 0.2485 0.2303  0.0006  0.0567  7  CYS C SG  
455 N N   . THR C 8  ? 0.7785 0.9844 0.4084 0.2223  0.0071  0.0589  8  THR C N   
456 C CA  . THR C 8  ? 0.7363 0.9457 0.3654 0.2216  0.0080  0.0609  8  THR C CA  
457 C C   . THR C 8  ? 0.7407 0.9423 0.3661 0.2182  0.0114  0.0618  8  THR C C   
458 O O   . THR C 8  ? 0.7534 0.9553 0.3791 0.2187  0.0121  0.0648  8  THR C O   
459 C CB  . THR C 8  ? 0.7236 0.9441 0.3513 0.2201  0.0074  0.0574  8  THR C CB  
460 O OG1 . THR C 8  ? 0.7083 0.9273 0.3310 0.2147  0.0098  0.0526  8  THR C OG1 
461 C CG2 . THR C 8  ? 0.7150 0.9440 0.3461 0.2244  0.0039  0.0563  8  THR C CG2 
462 N N   . SER C 9  ? 0.7481 0.9425 0.3694 0.2150  0.0135  0.0592  9  SER C N   
463 C CA  . SER C 9  ? 0.7457 0.9308 0.3626 0.2126  0.0168  0.0602  9  SER C CA  
464 C C   . SER C 9  ? 0.6976 0.8731 0.3130 0.2127  0.0174  0.0600  9  SER C C   
465 O O   . SER C 9  ? 0.6924 0.8685 0.3081 0.2125  0.0161  0.0576  9  SER C O   
466 C CB  . SER C 9  ? 0.7497 0.9347 0.3594 0.2069  0.0197  0.0567  9  SER C CB  
467 O OG  . SER C 9  ? 0.7034 0.8978 0.3141 0.2067  0.0191  0.0568  9  SER C OG  
468 N N   . ILE C 10 ? 0.7241 0.8911 0.3376 0.2134  0.0193  0.0625  10 ILE C N   
469 C CA  . ILE C 10 ? 0.7154 0.8733 0.3268 0.2139  0.0200  0.0624  10 ILE C CA  
470 C C   . ILE C 10 ? 0.6973 0.8499 0.3005 0.2087  0.0224  0.0582  10 ILE C C   
471 O O   . ILE C 10 ? 0.6605 0.8118 0.2575 0.2044  0.0251  0.0562  10 ILE C O   
472 C CB  . ILE C 10 ? 0.6561 0.8071 0.2669 0.2162  0.0216  0.0659  10 ILE C CB  
473 C CG1 . ILE C 10 ? 0.6552 0.8080 0.2731 0.2208  0.0191  0.0692  10 ILE C CG1 
474 C CG2 . ILE C 10 ? 0.6416 0.7814 0.2448 0.2146  0.0243  0.0647  10 ILE C CG2 
475 C CD1 . ILE C 10 ? 0.6345 0.7815 0.2521 0.2234  0.0204  0.0721  10 ILE C CD1 
476 N N   . CYS C 11 ? 0.7245 0.8740 0.3269 0.2084  0.0215  0.0565  11 CYS C N   
477 C CA  . CYS C 11 ? 0.7687 0.9126 0.3626 0.2029  0.0240  0.0524  11 CYS C CA  
478 C C   . CYS C 11 ? 0.7645 0.8955 0.3525 0.2030  0.0261  0.0536  11 CYS C C   
479 O O   . CYS C 11 ? 0.7643 0.8931 0.3562 0.2073  0.0242  0.0561  11 CYS C O   
480 C CB  . CYS C 11 ? 0.8085 0.9584 0.4048 0.2022  0.0217  0.0492  11 CYS C CB  
481 S SG  . CYS C 11 ? 0.6408 0.8048 0.2393 0.2000  0.0205  0.0455  11 CYS C SG  
482 N N   . SER C 12 ? 0.8099 0.9323 0.3876 0.1981  0.0302  0.0518  12 SER C N   
483 C CA  . SER C 12 ? 0.8148 0.9241 0.3849 0.1981  0.0327  0.0528  12 SER C CA  
484 C C   . SER C 12 ? 0.8551 0.9604 0.4203 0.1947  0.0330  0.0497  12 SER C C   
485 O O   . SER C 12 ? 0.8444 0.9561 0.4101 0.1908  0.0325  0.0459  12 SER C O   
486 C CB  . SER C 12 ? 0.8230 0.9234 0.3827 0.1942  0.0375  0.0522  12 SER C CB  
487 O OG  . SER C 12 ? 0.8578 0.9593 0.4105 0.1861  0.0403  0.0473  12 SER C OG  
488 N N   . LEU C 13 ? 1.1262 0.6399 0.6256 -0.2508 0.3461  -0.0874 13 LEU C N   
489 C CA  . LEU C 13 ? 1.1788 0.6926 0.6737 -0.2511 0.3451  -0.0849 13 LEU C CA  
490 C C   . LEU C 13 ? 1.1648 0.6690 0.6593 -0.2491 0.3468  -0.0858 13 LEU C C   
491 O O   . LEU C 13 ? 1.2088 0.7088 0.6992 -0.2503 0.3457  -0.0867 13 LEU C O   
492 C CB  . LEU C 13 ? 1.1542 0.6822 0.6495 -0.2488 0.3456  -0.0765 13 LEU C CB  
493 C CG  . LEU C 13 ? 1.0725 0.6137 0.5678 -0.2515 0.3436  -0.0744 13 LEU C CG  
494 C CD1 . LEU C 13 ? 1.0147 0.5735 0.5119 -0.2481 0.3448  -0.0641 13 LEU C CD1 
495 C CD2 . LEU C 13 ? 1.0152 0.5536 0.5041 -0.2579 0.3406  -0.0791 13 LEU C CD2 
496 N N   . TYR C 14 ? 1.2637 0.7643 0.7619 -0.2464 0.3500  -0.0859 14 TYR C N   
497 C CA  . TYR C 14 ? 1.2660 0.7578 0.7636 -0.2456 0.3518  -0.0876 14 TYR C CA  
498 C C   . TYR C 14 ? 1.2636 0.7484 0.7598 -0.2490 0.3498  -0.0938 14 TYR C C   
499 O O   . TYR C 14 ? 1.2654 0.7462 0.7593 -0.2492 0.3496  -0.0942 14 TYR C O   
500 C CB  . TYR C 14 ? 1.2684 0.7567 0.7696 -0.2431 0.3565  -0.0872 14 TYR C CB  
501 C CG  . TYR C 14 ? 1.2847 0.7810 0.7887 -0.2387 0.3595  -0.0799 14 TYR C CG  
502 C CD1 . TYR C 14 ? 1.3190 0.8190 0.8225 -0.2351 0.3615  -0.0728 14 TYR C CD1 
503 C CD2 . TYR C 14 ? 1.2693 0.7708 0.7767 -0.2376 0.3607  -0.0790 14 TYR C CD2 
504 C CE1 . TYR C 14 ? 1.3614 0.8710 0.8682 -0.2304 0.3647  -0.0643 14 TYR C CE1 
505 C CE2 . TYR C 14 ? 1.3181 0.8291 0.8288 -0.2328 0.3640  -0.0708 14 TYR C CE2 
506 C CZ  . TYR C 14 ? 1.3681 0.8835 0.8786 -0.2291 0.3660  -0.0631 14 TYR C CZ  
507 O OH  . TYR C 14 ? 1.4383 0.9653 0.9529 -0.2237 0.3697  -0.0532 14 TYR C OH  
508 N N   . GLN C 15 ? 1.1789 0.6635 0.6767 -0.2512 0.3486  -0.0978 15 GLN C N   
509 C CA  . GLN C 15 ? 1.2133 0.6936 0.7104 -0.2538 0.3472  -0.1022 15 GLN C CA  
510 C C   . GLN C 15 ? 1.1979 0.6772 0.6910 -0.2548 0.3451  -0.1018 15 GLN C C   
511 O O   . GLN C 15 ? 1.1707 0.6465 0.6626 -0.2550 0.3451  -0.1028 15 GLN C O   
512 C CB  . GLN C 15 ? 1.1924 0.6742 0.6924 -0.2556 0.3467  -0.1055 15 GLN C CB  
513 C CG  . GLN C 15 ? 1.1629 0.6436 0.6663 -0.2555 0.3494  -0.1072 15 GLN C CG  
514 C CD  . GLN C 15 ? 1.1102 0.5933 0.6164 -0.2574 0.3489  -0.1101 15 GLN C CD  
515 O OE1 . GLN C 15 ? 1.0854 0.5725 0.5920 -0.2574 0.3476  -0.1093 15 GLN C OE1 
516 N NE2 . GLN C 15 ? 1.1459 0.6274 0.6536 -0.2594 0.3502  -0.1133 15 GLN C NE2 
517 N N   . LEU C 16 ? 1.2082 0.6910 0.6990 -0.2556 0.3439  -0.1002 16 LEU C N   
518 C CA  . LEU C 16 ? 1.2028 0.6830 0.6885 -0.2572 0.3429  -0.1003 16 LEU C CA  
519 C C   . LEU C 16 ? 1.2021 0.6807 0.6852 -0.2553 0.3437  -0.0973 16 LEU C C   
520 O O   . LEU C 16 ? 1.1696 0.6434 0.6492 -0.2558 0.3439  -0.0980 16 LEU C O   
521 C CB  . LEU C 16 ? 1.1819 0.6674 0.6649 -0.2598 0.3417  -0.0995 16 LEU C CB  
522 C CG  . LEU C 16 ? 1.1598 0.6460 0.6438 -0.2627 0.3409  -0.1028 16 LEU C CG  
523 C CD1 . LEU C 16 ? 1.1520 0.6462 0.6410 -0.2616 0.3409  -0.1013 16 LEU C CD1 
524 C CD2 . LEU C 16 ? 1.1140 0.6004 0.5923 -0.2671 0.3403  -0.1038 16 LEU C CD2 
525 N N   . GLU C 17 ? 1.2114 0.6938 0.6963 -0.2528 0.3448  -0.0936 17 GLU C N   
526 C CA  . GLU C 17 ? 1.1727 0.6543 0.6556 -0.2508 0.3458  -0.0902 17 GLU C CA  
527 C C   . GLU C 17 ? 1.1278 0.6035 0.6115 -0.2502 0.3468  -0.0923 17 GLU C C   
528 O O   . GLU C 17 ? 1.1140 0.5881 0.5952 -0.2491 0.3474  -0.0902 17 GLU C O   
529 C CB  . GLU C 17 ? 1.1996 0.6867 0.6849 -0.2476 0.3477  -0.0851 17 GLU C CB  
530 C CG  . GLU C 17 ? 1.2641 0.7526 0.7472 -0.2454 0.3488  -0.0801 17 GLU C CG  
531 C CD  . GLU C 17 ? 1.2354 0.7305 0.7212 -0.2417 0.3513  -0.0735 17 GLU C CD  
532 O OE1 . GLU C 17 ? 1.1094 0.6056 0.5992 -0.2404 0.3530  -0.0735 17 GLU C OE1 
533 O OE2 . GLU C 17 ? 1.2935 0.7929 0.7775 -0.2397 0.3520  -0.0677 17 GLU C OE2 
534 N N   . ASN C 18 ? 1.2021 0.6759 0.6892 -0.2510 0.3471  -0.0958 18 ASN C N   
535 C CA  . ASN C 18 ? 1.1488 0.6204 0.6368 -0.2511 0.3478  -0.0971 18 ASN C CA  
536 C C   . ASN C 18 ? 1.1028 0.5727 0.5883 -0.2512 0.3472  -0.0971 18 ASN C C   
537 O O   . ASN C 18 ? 1.0618 0.5320 0.5476 -0.2503 0.3481  -0.0960 18 ASN C O   
538 C CB  . ASN C 18 ? 1.1093 0.5817 0.6013 -0.2529 0.3482  -0.1006 18 ASN C CB  
539 C CG  . ASN C 18 ? 1.0947 0.5665 0.5888 -0.2527 0.3503  -0.1009 18 ASN C CG  
540 O OD1 . ASN C 18 ? 1.0779 0.5500 0.5715 -0.2506 0.3515  -0.0978 18 ASN C OD1 
541 N ND2 . ASN C 18 ? 1.1494 0.6211 0.6460 -0.2550 0.3514  -0.1042 18 ASN C ND2 
542 N N   . TYR C 19 ? 1.1097 0.5780 0.5924 -0.2523 0.3463  -0.0981 19 TYR C N   
543 C CA  . TYR C 19 ? 1.1134 0.5778 0.5930 -0.2522 0.3470  -0.0983 19 TYR C CA  
544 C C   . TYR C 19 ? 1.1201 0.5816 0.5943 -0.2517 0.3478  -0.0961 19 TYR C C   
545 O O   . TYR C 19 ? 1.1252 0.5820 0.5961 -0.2513 0.3495  -0.0961 19 TYR C O   
546 C CB  . TYR C 19 ? 1.1254 0.5877 0.6041 -0.2543 0.3466  -0.1012 19 TYR C CB  
547 C CG  . TYR C 19 ? 1.1767 0.6425 0.6605 -0.2549 0.3459  -0.1032 19 TYR C CG  
548 C CD1 . TYR C 19 ? 1.1728 0.6405 0.6595 -0.2536 0.3467  -0.1030 19 TYR C CD1 
549 C CD2 . TYR C 19 ? 1.1697 0.6384 0.6554 -0.2565 0.3446  -0.1046 19 TYR C CD2 
550 C CE1 . TYR C 19 ? 1.2049 0.6771 0.6960 -0.2546 0.3460  -0.1046 19 TYR C CE1 
551 C CE2 . TYR C 19 ? 1.1981 0.6699 0.6882 -0.2571 0.3442  -0.1065 19 TYR C CE2 
552 C CZ  . TYR C 19 ? 1.1990 0.6723 0.6916 -0.2564 0.3448  -0.1067 19 TYR C CZ  
553 O OH  . TYR C 19 ? 1.1575 0.6351 0.6541 -0.2575 0.3445  -0.1083 19 TYR C OH  
554 N N   . CYS C 20 ? 1.1319 0.5965 0.6051 -0.2515 0.3473  -0.0937 20 CYS C N   
555 C CA  . CYS C 20 ? 1.1086 0.5722 0.5765 -0.2514 0.3479  -0.0911 20 CYS C CA  
556 C C   . CYS C 20 ? 1.1285 0.5909 0.5964 -0.2485 0.3496  -0.0884 20 CYS C C   
557 O O   . CYS C 20 ? 1.0879 0.5521 0.5603 -0.2469 0.3501  -0.0881 20 CYS C O   
558 C CB  . CYS C 20 ? 1.1163 0.5866 0.5836 -0.2517 0.3468  -0.0879 20 CYS C CB  
559 S SG  . CYS C 20 ? 1.0354 0.5110 0.5035 -0.2547 0.3449  -0.0895 20 CYS C SG  
560 N N   . ASN C 21 ? 1.1285 0.5887 0.5911 -0.2484 0.3508  -0.0864 21 ASN C N   
561 C CA  . ASN C 21 ? 1.1920 0.6521 0.6543 -0.2454 0.3527  -0.0831 21 ASN C CA  
562 C C   . ASN C 21 ? 1.2036 0.6695 0.6675 -0.2439 0.3524  -0.0789 21 ASN C C   
563 O O   . ASN C 21 ? 1.2359 0.7026 0.6977 -0.2422 0.3538  -0.0753 21 ASN C O   
564 C CB  . ASN C 21 ? 1.2364 0.6909 0.6920 -0.2457 0.3549  -0.0827 21 ASN C CB  
565 C CG  . ASN C 21 ? 1.1682 0.6161 0.6231 -0.2450 0.3572  -0.0849 21 ASN C CG  
566 O OD1 . ASN C 21 ? 1.1417 0.5921 0.6017 -0.2424 0.3578  -0.0840 21 ASN C OD1 
567 N ND2 . ASN C 21 ? 1.1694 0.6096 0.6180 -0.2475 0.3590  -0.0875 21 ASN C ND2 
568 O OXT . ASN C 21 ? 1.1984 0.6681 0.6656 -0.2441 0.3513  -0.0787 21 ASN C OXT 
569 N N   . PHE D 1  ? 0.5560 0.5638 0.5435 0.0711  0.0678  0.1186  1  PHE D N   
570 C CA  . PHE D 1  ? 0.6641 0.6465 0.6275 0.0725  0.0639  0.1105  1  PHE D CA  
571 C C   . PHE D 1  ? 0.5778 0.5667 0.5371 0.0647  0.0726  0.1051  1  PHE D C   
572 O O   . PHE D 1  ? 0.5692 0.5788 0.5420 0.0548  0.0721  0.1102  1  PHE D O   
573 C CB  . PHE D 1  ? 0.6787 0.6450 0.6330 0.0692  0.0409  0.1158  1  PHE D CB  
574 C CG  . PHE D 1  ? 0.6700 0.6107 0.6004 0.0699  0.0365  0.1086  1  PHE D CG  
575 C CD1 . PHE D 1  ? 0.7093 0.6284 0.6226 0.0805  0.0438  0.0996  1  PHE D CD1 
576 C CD2 . PHE D 1  ? 0.6648 0.6029 0.5900 0.0603  0.0254  0.1111  1  PHE D CD2 
577 C CE1 . PHE D 1  ? 0.7192 0.6152 0.6112 0.0815  0.0402  0.0933  1  PHE D CE1 
578 C CE2 . PHE D 1  ? 0.6435 0.5583 0.5475 0.0617  0.0220  0.1051  1  PHE D CE2 
579 C CZ  . PHE D 1  ? 0.6874 0.5814 0.5750 0.0723  0.0294  0.0962  1  PHE D CZ  
580 N N   . VAL D 2  ? 0.5973 0.5689 0.5378 0.0691  0.0804  0.0951  2  VAL D N   
581 C CA  . VAL D 2  ? 0.6904 0.6702 0.6273 0.0631  0.0925  0.0892  2  VAL D CA  
582 C C   . VAL D 2  ? 0.6275 0.6036 0.5575 0.0541  0.0789  0.0920  2  VAL D C   
583 O O   . VAL D 2  ? 0.6342 0.6291 0.5741 0.0438  0.0795  0.0957  2  VAL D O   
584 C CB  . VAL D 2  ? 0.8857 0.8508 0.8062 0.0713  0.1079  0.0774  2  VAL D CB  
585 C CG1 . VAL D 2  ? 0.8546 0.8350 0.7761 0.0648  0.1247  0.0719  2  VAL D CG1 
586 C CG2 . VAL D 2  ? 0.8051 0.7652 0.7281 0.0825  0.1170  0.0753  2  VAL D CG2 
587 N N   . ASN D 3  ? 0.6879 0.6388 0.6003 0.0579  0.0670  0.0903  3  ASN D N   
588 C CA  . ASN D 3  ? 0.6616 0.6059 0.5650 0.0508  0.0562  0.0921  3  ASN D CA  
589 C C   . ASN D 3  ? 0.6282 0.5860 0.5449 0.0403  0.0421  0.1028  3  ASN D C   
590 O O   . ASN D 3  ? 0.6157 0.5763 0.5300 0.0323  0.0367  0.1053  3  ASN D O   
591 C CB  . ASN D 3  ? 0.6908 0.6036 0.5728 0.0577  0.0464  0.0888  3  ASN D CB  
592 C CG  . ASN D 3  ? 0.6898 0.5935 0.5599 0.0527  0.0398  0.0888  3  ASN D CG  
593 O OD1 . ASN D 3  ? 0.6943 0.5935 0.5641 0.0467  0.0245  0.0959  3  ASN D OD1 
594 N ND2 . ASN D 3  ? 0.6707 0.5715 0.5306 0.0550  0.0515  0.0812  3  ASN D ND2 
595 N N   . GLN D 4  ? 0.6197 0.5864 0.5504 0.0402  0.0360  0.1096  4  GLN D N   
596 C CA  . GLN D 4  ? 0.6453 0.6298 0.5917 0.0294  0.0252  0.1197  4  GLN D CA  
597 C C   . GLN D 4  ? 0.5793 0.5921 0.5414 0.0220  0.0382  0.1204  4  GLN D C   
598 O O   . GLN D 4  ? 0.5601 0.5846 0.5282 0.0115  0.0321  0.1257  4  GLN D O   
599 C CB  . GLN D 4  ? 0.6219 0.6101 0.5797 0.0315  0.0160  0.1270  4  GLN D CB  
600 C CG  . GLN D 4  ? 0.6693 0.6820 0.6477 0.0211  0.0090  0.1373  4  GLN D CG  
601 C CD  . GLN D 4  ? 0.6506 0.6727 0.6437 0.0244  0.0047  0.1441  4  GLN D CD  
602 O OE1 . GLN D 4  ? 0.6816 0.6917 0.6701 0.0245  -0.0112 0.1491  4  GLN D OE1 
603 N NE2 . GLN D 4  ? 0.6375 0.6813 0.6480 0.0270  0.0193  0.1446  4  GLN D NE2 
604 N N   . HIS D 5  ? 0.6080 0.6311 0.5761 0.0271  0.0565  0.1150  5  HIS D N   
605 C CA  . HIS D 5  ? 0.6060 0.6547 0.5876 0.0200  0.0705  0.1148  5  HIS D CA  
606 C C   . HIS D 5  ? 0.5948 0.6438 0.5662 0.0132  0.0741  0.1107  5  HIS D C   
607 O O   . HIS D 5  ? 0.5597 0.6282 0.5412 0.0027  0.0755  0.1145  5  HIS D O   
608 C CB  . HIS D 5  ? 0.6382 0.6932 0.6247 0.0276  0.0905  0.1088  5  HIS D CB  
609 C CG  . HIS D 5  ? 0.5992 0.6785 0.5979 0.0204  0.1068  0.1078  5  HIS D CG  
610 N ND1 . HIS D 5  ? 0.5496 0.6319 0.5393 0.0152  0.1175  0.1011  5  HIS D ND1 
611 C CD2 . HIS D 5  ? 0.5552 0.6570 0.5739 0.0173  0.1145  0.1127  5  HIS D CD2 
612 C CE1 . HIS D 5  ? 0.5694 0.6743 0.5722 0.0087  0.1310  0.1017  5  HIS D CE1 
613 N NE2 . HIS D 5  ? 0.5566 0.6731 0.5772 0.0101  0.1298  0.1085  5  HIS D NE2 
614 N N   . LEU D 6  ? 0.5380 0.5662 0.4897 0.0190  0.0757  0.1032  6  LEU D N   
615 C CA  . LEU D 6  ? 0.5272 0.5558 0.4689 0.0134  0.0788  0.0999  6  LEU D CA  
616 C C   . LEU D 6  ? 0.4940 0.5233 0.4366 0.0045  0.0622  0.1080  6  LEU D C   
617 O O   . LEU D 6  ? 0.4748 0.5181 0.4200 -0.0045 0.0648  0.1095  6  LEU D O   
618 C CB  . LEU D 6  ? 0.5874 0.5926 0.5083 0.0223  0.0824  0.0912  6  LEU D CB  
619 C CG  . LEU D 6  ? 0.6408 0.6431 0.5579 0.0310  0.1000  0.0821  6  LEU D CG  
620 C CD1 . LEU D 6  ? 0.6940 0.6714 0.5897 0.0397  0.1010  0.0743  6  LEU D CD1 
621 C CD2 . LEU D 6  ? 0.6069 0.6317 0.5313 0.0245  0.1183  0.0784  6  LEU D CD2 
622 N N   . CYS D 7  ? 0.6501 0.6637 0.5894 0.0066  0.0451  0.1132  7  CYS D N   
623 C CA  . CYS D 7  ? 0.5714 0.5836 0.5107 -0.0019 0.0292  0.1212  7  CYS D CA  
624 C C   . CYS D 7  ? 0.4639 0.5036 0.4234 -0.0130 0.0286  0.1287  7  CYS D C   
625 O O   . CYS D 7  ? 0.5681 0.6144 0.5287 -0.0222 0.0226  0.1334  7  CYS D O   
626 C CB  . CYS D 7  ? 0.5129 0.5022 0.4441 0.0021  0.0120  0.1249  7  CYS D CB  
627 S SG  . CYS D 7  ? 0.4833 0.4662 0.4117 -0.0083 -0.0079 0.1344  7  CYS D SG  
628 N N   . GLY D 8  ? 0.4813 0.5371 0.4568 -0.0122 0.0351  0.1301  8  GLY D N   
629 C CA  . GLY D 8  ? 0.4600 0.5427 0.4553 -0.0224 0.0362  0.1369  8  GLY D CA  
630 C C   . GLY D 8  ? 0.4740 0.5747 0.4723 -0.0293 0.0503  0.1337  8  GLY D C   
631 O O   . GLY D 8  ? 0.4599 0.5777 0.4680 -0.0401 0.0473  0.1395  8  GLY D O   
632 N N   . SER D 9  ? 0.4753 0.5727 0.4647 -0.0237 0.0659  0.1244  9  SER D N   
633 C CA  . SER D 9  ? 0.4273 0.5412 0.4175 -0.0308 0.0799  0.1208  9  SER D CA  
634 C C   . SER D 9  ? 0.4565 0.5694 0.4392 -0.0387 0.0707  0.1241  9  SER D C   
635 O O   . SER D 9  ? 0.5629 0.6955 0.5536 -0.0493 0.0740  0.1273  9  SER D O   
636 C CB  . SER D 9  ? 0.3901 0.4971 0.3689 -0.0233 0.0968  0.1099  9  SER D CB  
637 O OG  . SER D 9  ? 0.3750 0.4801 0.3593 -0.0148 0.1052  0.1070  9  SER D OG  
638 N N   . HIS D 10 ? 0.4664 0.5558 0.4334 -0.0335 0.0596  0.1236  10 HIS D N   
639 C CA  . HIS D 10 ? 0.4779 0.5642 0.4380 -0.0400 0.0497  0.1281  10 HIS D CA  
640 C C   . HIS D 10 ? 0.5668 0.6595 0.5377 -0.0483 0.0348  0.1384  10 HIS D C   
641 O O   . HIS D 10 ? 0.5766 0.6793 0.5498 -0.0576 0.0309  0.1435  10 HIS D O   
642 C CB  . HIS D 10 ? 0.5526 0.6104 0.4930 -0.0313 0.0424  0.1251  10 HIS D CB  
643 C CG  . HIS D 10 ? 0.5380 0.5891 0.4663 -0.0240 0.0561  0.1153  10 HIS D CG  
644 N ND1 . HIS D 10 ? 0.5514 0.6106 0.4736 -0.0278 0.0643  0.1127  10 HIS D ND1 
645 C CD2 . HIS D 10 ? 0.5259 0.5633 0.4468 -0.0133 0.0630  0.1078  10 HIS D CD2 
646 C CE1 . HIS D 10 ? 0.5323 0.5833 0.4439 -0.0202 0.0757  0.1038  10 HIS D CE1 
647 N NE2 . HIS D 10 ? 0.5425 0.5795 0.4528 -0.0111 0.0753  0.1004  10 HIS D NE2 
648 N N   . LEU D 11 ? 0.5342 0.6214 0.5116 -0.0453 0.0261  0.1419  11 LEU D N   
649 C CA  . LEU D 11 ? 0.5980 0.6884 0.5836 -0.0532 0.0105  0.1516  11 LEU D CA  
650 C C   . LEU D 11 ? 0.6086 0.7283 0.6121 -0.0648 0.0152  0.1567  11 LEU D C   
651 O O   . LEU D 11 ? 0.6000 0.7249 0.6054 -0.0741 0.0064  0.1632  11 LEU D O   
652 C CB  . LEU D 11 ? 0.6368 0.7182 0.6265 -0.0480 0.0016  0.1542  11 LEU D CB  
653 C CG  . LEU D 11 ? 0.6825 0.7459 0.6651 -0.0506 -0.0185 0.1609  11 LEU D CG  
654 C CD1 . LEU D 11 ? 0.6846 0.7239 0.6462 -0.0479 -0.0234 0.1583  11 LEU D CD1 
655 C CD2 . LEU D 11 ? 0.7605 0.8125 0.7435 -0.0438 -0.0255 0.1616  11 LEU D CD2 
656 N N   . VAL D 12 ? 0.5393 0.6779 0.5557 -0.0644 0.0296  0.1537  12 VAL D N   
657 C CA  . VAL D 12 ? 0.5290 0.6953 0.5622 -0.0754 0.0356  0.1580  12 VAL D CA  
658 C C   . VAL D 12 ? 0.5481 0.7227 0.5753 -0.0828 0.0417  0.1564  12 VAL D C   
659 O O   . VAL D 12 ? 0.5713 0.7622 0.6072 -0.0939 0.0388  0.1625  12 VAL D O   
660 C CB  . VAL D 12 ? 0.4998 0.6823 0.5468 -0.0723 0.0512  0.1548  12 VAL D CB  
661 C CG1 . VAL D 12 ? 0.5336 0.7105 0.5884 -0.0656 0.0436  0.1583  12 VAL D CG1 
662 C CG2 . VAL D 12 ? 0.4809 0.6585 0.5175 -0.0652 0.0686  0.1442  12 VAL D CG2 
663 N N   . GLU D 13 ? 0.5605 0.7247 0.5728 -0.0771 0.0502  0.1487  13 GLU D N   
664 C CA  . GLU D 13 ? 0.5666 0.7377 0.5719 -0.0838 0.0544  0.1480  13 GLU D CA  
665 C C   . GLU D 13 ? 0.5936 0.7550 0.5929 -0.0880 0.0377  0.1554  13 GLU D C   
666 O O   . GLU D 13 ? 0.6527 0.8283 0.6558 -0.0982 0.0365  0.1603  13 GLU D O   
667 C CB  . GLU D 13 ? 0.5550 0.7157 0.5451 -0.0761 0.0657  0.1385  13 GLU D CB  
668 C CG  . GLU D 13 ? 0.5760 0.7569 0.5681 -0.0822 0.0839  0.1334  13 GLU D CG  
669 C CD  . GLU D 13 ? 0.5980 0.7879 0.5922 -0.0912 0.0793  0.1338  13 GLU D CD  
670 O OE1 . GLU D 13 ? 0.6005 0.7858 0.5880 -0.0942 0.0680  0.1423  13 GLU D OE1 
671 O OE2 . GLU D 13 ? 0.6211 0.8191 0.6229 -0.0941 0.0865  0.1252  13 GLU D OE2 
672 N N   . ALA D 14 ? 0.5021 0.6384 0.4910 -0.0805 0.0250  0.1564  14 ALA D N   
673 C CA  . ALA D 14 ? 0.6056 0.7299 0.5882 -0.0843 0.0091  0.1638  14 ALA D CA  
674 C C   . ALA D 14 ? 0.6259 0.7634 0.6231 -0.0945 -0.0005 0.1727  14 ALA D C   
675 O O   . ALA D 14 ? 0.5902 0.7322 0.5877 -0.1030 -0.0074 0.1792  14 ALA D O   
676 C CB  . ALA D 14 ? 0.7201 0.8132 0.6875 -0.0742 -0.0013 0.1622  14 ALA D CB  
677 N N   . LEU D 15 ? 0.6235 0.7678 0.6333 -0.0938 -0.0009 0.1736  15 LEU D N   
678 C CA  . LEU D 15 ? 0.6145 0.7728 0.6392 -0.1035 -0.0097 0.1822  15 LEU D CA  
679 C C   . LEU D 15 ? 0.6236 0.8099 0.6610 -0.1145 -0.0008 0.1846  15 LEU D C   
680 O O   . LEU D 15 ? 0.5903 0.7854 0.6342 -0.1246 -0.0094 0.1923  15 LEU D O   
681 C CB  . LEU D 15 ? 0.6328 0.7943 0.6692 -0.0996 -0.0111 0.1829  15 LEU D CB  
682 C CG  . LEU D 15 ? 0.7055 0.8475 0.7369 -0.0978 -0.0290 0.1878  15 LEU D CG  
683 C CD1 . LEU D 15 ? 0.7411 0.8834 0.7730 -0.1089 -0.0428 0.1965  15 LEU D CD1 
684 C CD2 . LEU D 15 ? 0.7661 0.8780 0.7769 -0.0869 -0.0324 0.1822  15 LEU D CD2 
685 N N   . TYR D 16 ? 0.6300 0.8302 0.6705 -0.1133 0.0165  0.1780  16 TYR D N   
686 C CA  . TYR D 16 ? 0.6183 0.8442 0.6687 -0.1243 0.0259  0.1797  16 TYR D CA  
687 C C   . TYR D 16 ? 0.5646 0.7892 0.6059 -0.1310 0.0203  0.1834  16 TYR D C   
688 O O   . TYR D 16 ? 0.6264 0.8643 0.6757 -0.1402 0.0165  0.1873  16 TYR D O   
689 C CB  . TYR D 16 ? 0.6174 0.8542 0.6688 -0.1213 0.0460  0.1706  16 TYR D CB  
690 C CG  . TYR D 16 ? 0.6333 0.8768 0.6841 -0.1241 0.0517  0.1606  16 TYR D CG  
691 C CD1 . TYR D 16 ? 0.5922 0.8489 0.6558 -0.1292 0.0529  0.1592  16 TYR D CD1 
692 C CD2 . TYR D 16 ? 0.6497 0.8850 0.6867 -0.1214 0.0553  0.1532  16 TYR D CD2 
693 C CE1 . TYR D 16 ? 0.6017 0.8615 0.6630 -0.1316 0.0576  0.1510  16 TYR D CE1 
694 C CE2 . TYR D 16 ? 0.6436 0.8838 0.6800 -0.1242 0.0595  0.1454  16 TYR D CE2 
695 C CZ  . TYR D 16 ? 0.6247 0.8764 0.6727 -0.1293 0.0606  0.1444  16 TYR D CZ  
696 O OH  . TYR D 16 ? 0.5870 0.8416 0.6333 -0.1318 0.0645  0.1374  16 TYR D OH  
697 N N   . LEU D 17 ? 0.6511 0.8570 0.6752 -0.1241 0.0190  0.1798  17 LEU D N   
698 C CA  . LEU D 17 ? 0.6336 0.8378 0.6488 -0.1291 0.0142  0.1839  17 LEU D CA  
699 C C   . LEU D 17 ? 0.6499 0.8463 0.6662 -0.1345 -0.0031 0.1934  17 LEU D C   
700 O O   . LEU D 17 ? 0.6002 0.8109 0.6226 -0.1449 -0.0058 0.1996  17 LEU D O   
701 C CB  . LEU D 17 ? 0.7051 0.8893 0.7021 -0.1191 0.0159  0.1785  17 LEU D CB  
702 C CG  A LEU D 17 ? 0.7467 0.9385 0.7398 -0.1150 0.0330  0.1687  17 LEU D CG  
703 C CG  B LEU D 17 ? 0.7732 0.9586 0.7613 -0.1224 0.0150  0.1810  17 LEU D CG  
704 C CD1 A LEU D 17 ? 0.7548 0.9273 0.7300 -0.1062 0.0330  0.1653  17 LEU D CD1 
705 C CD1 B LEU D 17 ? 0.8258 1.0294 0.8213 -0.1239 0.0261  0.1696  17 LEU D CD1 
706 C CD2 A LEU D 17 ? 0.7750 0.9832 0.7761 -0.1191 0.0396  0.1599  17 LEU D CD2 
707 C CD2 B LEU D 17 ? 0.7682 0.9310 0.7386 -0.1116 0.0145  0.1774  17 LEU D CD2 
708 N N   . VAL D 18 ? 0.5963 0.7695 0.6062 -0.1277 -0.0149 0.1944  18 VAL D N   
709 C CA  . VAL D 18 ? 0.6322 0.7929 0.6390 -0.1323 -0.0315 0.2029  18 VAL D CA  
710 C C   . VAL D 18 ? 0.6627 0.8438 0.6867 -0.1441 -0.0357 0.2098  18 VAL D C   
711 O O   . VAL D 18 ? 0.6620 0.8444 0.6863 -0.1527 -0.0445 0.2173  18 VAL D O   
712 C CB  . VAL D 18 ? 0.6646 0.7962 0.6603 -0.1233 -0.0423 0.2017  18 VAL D CB  
713 C CG1 . VAL D 18 ? 0.6887 0.8057 0.6795 -0.1290 -0.0589 0.2101  18 VAL D CG1 
714 C CG2 . VAL D 18 ? 0.6590 0.7703 0.6374 -0.1118 -0.0377 0.1949  18 VAL D CG2 
715 N N   . CYS D 19 ? 0.6465 0.8437 0.6853 -0.1446 -0.0290 0.2076  19 CYS D N   
716 C CA  . CYS D 19 ? 0.6911 0.9083 0.7473 -0.1553 -0.0326 0.2143  19 CYS D CA  
717 C C   . CYS D 19 ? 0.7047 0.9469 0.7694 -0.1652 -0.0233 0.2155  19 CYS D C   
718 O O   . CYS D 19 ? 0.7351 0.9829 0.8039 -0.1725 -0.0313 0.2195  19 CYS D O   
719 C CB  . CYS D 19 ? 0.7075 0.9334 0.7773 -0.1516 -0.0285 0.2122  19 CYS D CB  
720 S SG  . CYS D 19 ? 0.5770 0.7754 0.6379 -0.1410 -0.0409 0.2114  19 CYS D SG  
721 N N   . GLY D 20 ? 0.5635 0.9906 0.6758 -0.1611 -0.1036 0.3688  20 GLY D N   
722 C CA  . GLY D 20 ? 0.5635 0.9868 0.6719 -0.1600 -0.1034 0.3700  20 GLY D CA  
723 C C   . GLY D 20 ? 0.6559 1.0759 0.7576 -0.1632 -0.1043 0.3666  20 GLY D C   
724 O O   . GLY D 20 ? 0.6116 1.0414 0.7223 -0.1682 -0.1078 0.3638  20 GLY D O   
725 N N   . GLU D 21 ? 0.7619 1.1683 0.8475 -0.1603 -0.1010 0.3673  21 GLU D N   
726 C CA  . GLU D 21 ? 0.7657 1.1698 0.8441 -0.1627 -0.1012 0.3653  21 GLU D CA  
727 C C   . GLU D 21 ? 0.7619 1.1676 0.8391 -0.1671 -0.1024 0.3617  21 GLU D C   
728 O O   . GLU D 21 ? 0.7585 1.1689 0.8360 -0.1703 -0.1038 0.3597  21 GLU D O   
729 C CB  . GLU D 21 ? 0.7868 1.1753 0.8469 -0.1588 -0.0970 0.3677  21 GLU D CB  
730 C CG  . GLU D 21 ? 0.7923 1.1783 0.8514 -0.1543 -0.0959 0.3711  21 GLU D CG  
731 C CD  . GLU D 21 ? 0.8295 1.1993 0.8693 -0.1506 -0.0917 0.3737  21 GLU D CD  
732 O OE1 . GLU D 21 ? 0.8427 1.2031 0.8703 -0.1518 -0.0895 0.3734  21 GLU D OE1 
733 O OE2 . GLU D 21 ? 0.8416 1.2078 0.8782 -0.1467 -0.0907 0.3765  21 GLU D OE2 
734 N N   . ARG D 22 ? 0.7175 1.1191 0.7928 -0.1671 -0.1016 0.3611  22 ARG D N   
735 C CA  . ARG D 22 ? 0.7032 1.1051 0.7763 -0.1713 -0.1028 0.3578  22 ARG D CA  
736 C C   . ARG D 22 ? 0.6830 1.1014 0.7725 -0.1760 -0.1074 0.3549  22 ARG D C   
737 O O   . ARG D 22 ? 0.6790 1.1014 0.7686 -0.1800 -0.1092 0.3521  22 ARG D O   
738 C CB  . ARG D 22 ? 0.7123 1.1034 0.7770 -0.1696 -0.1004 0.3581  22 ARG D CB  
739 C CG  . ARG D 22 ? 0.7349 1.1067 0.7795 -0.1681 -0.0963 0.3596  22 ARG D CG  
740 C CD  . ARG D 22 ? 0.7459 1.1056 0.7812 -0.1667 -0.0940 0.3596  22 ARG D CD  
741 N NE  . ARG D 22 ? 0.7623 1.1191 0.7984 -0.1609 -0.0915 0.3622  22 ARG D NE  
742 C CZ  . ARG D 22 ? 0.7569 1.1029 0.7844 -0.1578 -0.0887 0.3630  22 ARG D CZ  
743 N NH1 . ARG D 22 ? 0.7652 1.1010 0.7823 -0.1604 -0.0880 0.3611  22 ARG D NH1 
744 N NH2 . ARG D 22 ? 0.7591 1.1044 0.7879 -0.1520 -0.0862 0.3659  22 ARG D NH2 
745 N N   . GLY D 23 ? 0.6802 1.1083 0.7836 -0.1756 -0.1094 0.3559  23 GLY D N   
746 C CA  . GLY D 23 ? 0.6943 1.1365 0.8127 -0.1804 -0.1137 0.3538  23 GLY D CA  
747 C C   . GLY D 23 ? 0.5995 1.0421 0.7185 -0.1819 -0.1142 0.3520  23 GLY D C   
748 O O   . GLY D 23 ? 0.5696 1.0011 0.6772 -0.1791 -0.1112 0.3524  23 GLY D O   
749 N N   . PHE D 24 ? 0.6568 1.1112 0.7885 -0.1864 -0.1181 0.3502  24 PHE D N   
750 C CA  . PHE D 24 ? 0.5580 1.0143 0.6916 -0.1878 -0.1189 0.3488  24 PHE D CA  
751 C C   . PHE D 24 ? 0.5181 0.9853 0.6625 -0.1939 -0.1232 0.3460  24 PHE D C   
752 O O   . PHE D 24 ? 0.4909 0.9617 0.6407 -0.1957 -0.1248 0.3449  24 PHE D O   
753 C CB  . PHE D 24 ? 0.5242 0.9840 0.6640 -0.1844 -0.1177 0.3525  24 PHE D CB  
754 C CG  . PHE D 24 ? 0.4956 0.9692 0.6526 -0.1863 -0.1207 0.3554  24 PHE D CG  
755 C CD1 . PHE D 24 ? 0.4380 0.9117 0.5971 -0.1842 -0.1200 0.3585  24 PHE D CD1 
756 C CD2 . PHE D 24 ? 0.4374 0.9168 0.6032 -0.1889 -0.1230 0.3539  24 PHE D CD2 
757 C CE1 . PHE D 24 ? 0.3908 0.8762 0.5653 -0.1868 -0.1230 0.3616  24 PHE D CE1 
758 C CE2 . PHE D 24 ? 0.4129 0.8901 0.5835 -0.1875 -0.1231 0.3535  24 PHE D CE2 
759 C CZ  . PHE D 24 ? 0.3916 0.8716 0.5666 -0.1866 -0.1233 0.3574  24 PHE D CZ  
760 N N   . PHE D 25 ? 0.5750 1.0426 0.7187 -0.1957 -0.1240 0.3439  25 PHE D N   
761 C CA  . PHE D 25 ? 0.5702 1.0342 0.7143 -0.1969 -0.1248 0.3382  25 PHE D CA  
762 C C   . PHE D 25 ? 0.5849 1.0493 0.7331 -0.1948 -0.1242 0.3390  25 PHE D C   
763 O O   . PHE D 25 ? 0.5899 1.0591 0.7385 -0.1950 -0.1241 0.3423  25 PHE D O   
764 C CB  . PHE D 25 ? 0.5717 1.0327 0.7084 -0.2001 -0.1255 0.3344  25 PHE D CB  
765 C CG  . PHE D 25 ? 0.5816 1.0419 0.7144 -0.2019 -0.1257 0.3323  25 PHE D CG  
766 C CD1 . PHE D 25 ? 0.5773 1.0418 0.7079 -0.2031 -0.1258 0.3365  25 PHE D CD1 
767 C CD2 . PHE D 25 ? 0.5980 1.0526 0.7281 -0.2018 -0.1253 0.3263  25 PHE D CD2 
768 C CE1 . PHE D 25 ? 0.5789 1.0446 0.7060 -0.2046 -0.1258 0.3354  25 PHE D CE1 
769 C CE2 . PHE D 25 ? 0.6144 1.0706 0.7413 -0.2032 -0.1251 0.3252  25 PHE D CE2 
770 C CZ  . PHE D 25 ? 0.5748 1.0385 0.7014 -0.2049 -0.1256 0.3302  25 PHE D CZ  
771 N N   . TYR D 26 ? 0.5452 1.0057 0.6966 -0.1933 -0.1241 0.3367  26 TYR D N   
772 C CA  . TYR D 26 ? 0.5414 1.0034 0.6974 -0.1916 -0.1237 0.3382  26 TYR D CA  
773 C C   . TYR D 26 ? 0.5854 1.0402 0.7375 -0.1930 -0.1243 0.3324  26 TYR D C   
774 O O   . TYR D 26 ? 0.6416 1.0894 0.7923 -0.1938 -0.1250 0.3282  26 TYR D O   
775 C CB  . TYR D 26 ? 0.5248 0.9885 0.6880 -0.1897 -0.1238 0.3412  26 TYR D CB  
776 C CG  . TYR D 26 ? 0.5072 0.9741 0.6758 -0.1884 -0.1236 0.3437  26 TYR D CG  
777 C CD1 . TYR D 26 ? 0.5295 1.0067 0.7023 -0.1863 -0.1222 0.3496  26 TYR D CD1 
778 C CD2 . TYR D 26 ? 0.5141 0.9749 0.6837 -0.1894 -0.1249 0.3409  26 TYR D CD2 
779 C CE1 . TYR D 26 ? 0.4945 0.9769 0.6726 -0.1849 -0.1218 0.3529  26 TYR D CE1 
780 C CE2 . TYR D 26 ? 0.4871 0.9522 0.6620 -0.1887 -0.1251 0.3441  26 TYR D CE2 
781 C CZ  . TYR D 26 ? 0.4476 0.9241 0.6269 -0.1863 -0.1233 0.3502  26 TYR D CZ  
782 O OH  . TYR D 26 ? 0.3684 0.8513 0.5534 -0.1855 -0.1232 0.3544  26 TYR D OH  
783 N N   . THR D 27 ? 0.5593 1.0164 0.7098 -0.1934 -0.1240 0.3327  27 THR D N   
784 C CA  . THR D 27 ? 0.5074 0.9589 0.6546 -0.1947 -0.1245 0.3282  27 THR D CA  
785 C C   . THR D 27 ? 0.4866 0.9440 0.6388 -0.1934 -0.1241 0.3322  27 THR D C   
786 O O   . THR D 27 ? 0.5143 0.9800 0.6677 -0.1927 -0.1233 0.3369  27 THR D O   
787 C CB  . THR D 27 ? 0.4925 0.9413 0.6321 -0.1972 -0.1247 0.3247  27 THR D CB  
788 O OG1 . THR D 27 ? 0.5033 0.9594 0.6428 -0.1975 -0.1245 0.3295  27 THR D OG1 
789 C CG2 . THR D 27 ? 0.5161 0.9610 0.6513 -0.1985 -0.1250 0.3216  27 THR D CG2 
790 N N   . PRO D 28 ? 0.5168 0.9717 0.6723 -0.1934 -0.1249 0.3316  28 PRO D N   
791 C CA  . PRO D 28 ? 0.5298 0.9924 0.6907 -0.1923 -0.1246 0.3367  28 PRO D CA  
792 C C   . PRO D 28 ? 0.5192 0.9824 0.6759 -0.1937 -0.1245 0.3354  28 PRO D C   
793 O O   . PRO D 28 ? 0.5214 0.9785 0.6709 -0.1956 -0.1248 0.3304  28 PRO D O   
794 C CB  . PRO D 28 ? 0.5635 1.0219 0.7287 -0.1931 -0.1262 0.3364  28 PRO D CB  
795 C CG  . PRO D 28 ? 0.6262 1.0740 0.7875 -0.1944 -0.1273 0.3309  28 PRO D CG  
796 C CD  . PRO D 28 ? 0.6360 1.0812 0.7901 -0.1948 -0.1263 0.3269  28 PRO D CD  
797 N N   . LYS D 29 ? 0.5190 0.9905 0.6805 -0.1929 -0.1242 0.3405  29 LYS D N   
798 C CA  . LYS D 29 ? 0.4803 0.9540 0.6384 -0.1943 -0.1242 0.3404  29 LYS D CA  
799 C C   . LYS D 29 ? 0.4408 0.9042 0.5953 -0.1970 -0.1260 0.3348  29 LYS D C   
800 O O   . LYS D 29 ? 0.4212 0.8819 0.5703 -0.1989 -0.1263 0.3320  29 LYS D O   
801 C CB  . LYS D 29 ? 0.4923 0.9809 0.6574 -0.1923 -0.1229 0.3490  29 LYS D CB  
802 C CG  . LYS D 29 ? 0.5046 0.9967 0.6773 -0.1918 -0.1237 0.3529  29 LYS D CG  
803 C CD  . LYS D 29 ? 0.5170 1.0088 0.6890 -0.1942 -0.1251 0.3529  29 LYS D CD  
804 C CE  . LYS D 29 ? 0.5393 1.0295 0.7172 -0.1956 -0.1273 0.3550  29 LYS D CE  
805 N NZ  . LYS D 29 ? 0.5827 1.0738 0.7605 -0.1983 -0.1290 0.3563  29 LYS D NZ  
806 O OXT . LYS D 29 ? 0.4090 0.8668 0.5660 -0.1976 -0.1273 0.3334  29 LYS D OXT 
# 
