data_9LVD
# 
_entry.id   9LVD 
# 
_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   9LVD         pdb_00009lvd 10.2210/pdb9lvd/pdb 
WWPDB D_1300056548 ?            ?                   
# 
_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                        9LVD 
_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 (200K)' 
_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 ? ? ? ? 
7 water       nat water             18.015   1 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Small chain' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no GIVEQCCTSICSLYQLENYCN         GIVEQCCTSICSLYQLENYCN         A,C ? 
2 'polypeptide(L)' no no FVNQHLCGSHLVEALYLVCGERGFFYTPK FVNQHLCGSHLVEALYLVCGERGFFYTPK B,D ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 PHENOL          IPH 
4 'ZINC ION'      ZN  
5 'CHLORIDE ION'  CL  
6 'MYRISTIC ACID' MYR 
7 water           HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  GLY n 
1 2  ILE n 
1 3  VAL n 
1 4  GLU n 
1 5  GLN n 
1 6  CYS n 
1 7  CYS n 
1 8  THR n 
1 9  SER n 
1 10 ILE n 
1 11 CYS n 
1 12 SER n 
1 13 LEU n 
1 14 TYR n 
1 15 GLN n 
1 16 LEU n 
1 17 GLU n 
1 18 ASN n 
1 19 TYR n 
1 20 CYS n 
1 21 ASN n 
2 1  PHE n 
2 2  VAL n 
2 3  ASN n 
2 4  GLN n 
2 5  HIS n 
2 6  LEU n 
2 7  CYS n 
2 8  GLY n 
2 9  SER n 
2 10 HIS n 
2 11 LEU n 
2 12 VAL n 
2 13 GLU n 
2 14 ALA n 
2 15 LEU n 
2 16 TYR n 
2 17 LEU n 
2 18 VAL n 
2 19 CYS n 
2 20 GLY n 
2 21 GLU n 
2 22 ARG n 
2 23 GLY n 
2 24 PHE n 
2 25 PHE n 
2 26 TYR n 
2 27 THR n 
2 28 PRO n 
2 29 LYS n 
# 
loop_
_entity_src_gen.entity_id 
_entity_src_gen.pdbx_src_id 
_entity_src_gen.pdbx_alt_source_flag 
_entity_src_gen.pdbx_seq_type 
_entity_src_gen.pdbx_beg_seq_num 
_entity_src_gen.pdbx_end_seq_num 
_entity_src_gen.gene_src_common_name 
_entity_src_gen.gene_src_genus 
_entity_src_gen.pdbx_gene_src_gene 
_entity_src_gen.gene_src_species 
_entity_src_gen.gene_src_strain 
_entity_src_gen.gene_src_tissue 
_entity_src_gen.gene_src_tissue_fraction 
_entity_src_gen.gene_src_details 
_entity_src_gen.pdbx_gene_src_fragment 
_entity_src_gen.pdbx_gene_src_scientific_name 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 
_entity_src_gen.pdbx_gene_src_variant 
_entity_src_gen.pdbx_gene_src_cell_line 
_entity_src_gen.pdbx_gene_src_atcc 
_entity_src_gen.pdbx_gene_src_organ 
_entity_src_gen.pdbx_gene_src_organelle 
_entity_src_gen.pdbx_gene_src_cell 
_entity_src_gen.pdbx_gene_src_cellular_location 
_entity_src_gen.host_org_common_name 
_entity_src_gen.pdbx_host_org_scientific_name 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 
_entity_src_gen.host_org_genus 
_entity_src_gen.pdbx_host_org_gene 
_entity_src_gen.pdbx_host_org_organ 
_entity_src_gen.host_org_species 
_entity_src_gen.pdbx_host_org_tissue 
_entity_src_gen.pdbx_host_org_tissue_fraction 
_entity_src_gen.pdbx_host_org_strain 
_entity_src_gen.pdbx_host_org_variant 
_entity_src_gen.pdbx_host_org_cell_line 
_entity_src_gen.pdbx_host_org_atcc 
_entity_src_gen.pdbx_host_org_culture_collection 
_entity_src_gen.pdbx_host_org_cell 
_entity_src_gen.pdbx_host_org_organelle 
_entity_src_gen.pdbx_host_org_cellular_location 
_entity_src_gen.pdbx_host_org_vector_type 
_entity_src_gen.pdbx_host_org_vector 
_entity_src_gen.host_org_details 
_entity_src_gen.expression_system_id 
_entity_src_gen.plasmid_name 
_entity_src_gen.plasmid_details 
_entity_src_gen.pdbx_description 
1 1 sample 'Biological sequence' 1 21 human ? INS ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? 
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
2 1 sample 'Biological sequence' 1 29 human ? INS ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? 
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
CL  non-polymer         . 'CHLORIDE ION'  ? 'Cl -1'          35.453  
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
IPH non-polymer         . PHENOL          ? 'C6 H6 O'        94.111  
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MYR non-polymer         . 'MYRISTIC ACID' ? 'C14 H28 O2'     228.371 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
ZN  non-polymer         . 'ZINC ION'      ? 'Zn 2'           65.409  
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1  GLY 1  1  1  GLY GLY A . n 
A 1 2  ILE 2  2  2  ILE ILE A . n 
A 1 3  VAL 3  3  3  VAL VAL A . n 
A 1 4  GLU 4  4  4  GLU GLU A . n 
A 1 5  GLN 5  5  5  GLN GLN A . n 
A 1 6  CYS 6  6  6  CYS CYS A . n 
A 1 7  CYS 7  7  7  CYS CYS A . n 
A 1 8  THR 8  8  8  THR THR A . n 
A 1 9  SER 9  9  9  SER SER A . n 
A 1 10 ILE 10 10 10 ILE ILE A . n 
A 1 11 CYS 11 11 11 CYS CYS A . n 
A 1 12 SER 12 12 12 SER SER A . n 
A 1 13 LEU 13 13 13 LEU LEU A . n 
A 1 14 TYR 14 14 14 TYR TYR A . n 
A 1 15 GLN 15 15 15 GLN GLN A . n 
A 1 16 LEU 16 16 16 LEU LEU A . n 
A 1 17 GLU 17 17 17 GLU GLU A . n 
A 1 18 ASN 18 18 18 ASN ASN A . n 
A 1 19 TYR 19 19 19 TYR TYR A . n 
A 1 20 CYS 20 20 20 CYS CYS A . n 
A 1 21 ASN 21 21 21 ASN ASN A . n 
B 2 1  PHE 1  1  1  PHE PHE B . n 
B 2 2  VAL 2  2  2  VAL VAL B . n 
B 2 3  ASN 3  3  3  ASN ASN B . n 
B 2 4  GLN 4  4  4  GLN GLN B . n 
B 2 5  HIS 5  5  5  HIS HIS B . n 
B 2 6  LEU 6  6  6  LEU LEU B . n 
B 2 7  CYS 7  7  7  CYS CYS B . n 
B 2 8  GLY 8  8  8  GLY GLY B . n 
B 2 9  SER 9  9  9  SER SER B . n 
B 2 10 HIS 10 10 10 HIS HIS B . n 
B 2 11 LEU 11 11 11 LEU LEU B . n 
B 2 12 VAL 12 12 12 VAL VAL B . n 
B 2 13 GLU 13 13 13 GLU GLU B . n 
B 2 14 ALA 14 14 14 ALA ALA B . n 
B 2 15 LEU 15 15 15 LEU LEU B . n 
B 2 16 TYR 16 16 16 TYR TYR B . n 
B 2 17 LEU 17 17 17 LEU LEU B . n 
B 2 18 VAL 18 18 18 VAL VAL B . n 
B 2 19 CYS 19 19 19 CYS CYS B . n 
B 2 20 GLY 20 20 20 GLY GLY B . n 
B 2 21 GLU 21 21 21 GLU GLU B . n 
B 2 22 ARG 22 22 22 ARG ARG B . n 
B 2 23 GLY 23 23 23 GLY GLY B . n 
B 2 24 PHE 24 24 24 PHE PHE B . n 
B 2 25 PHE 25 25 25 PHE PHE B . n 
B 2 26 TYR 26 26 26 TYR TYR B . n 
B 2 27 THR 27 27 27 THR THR B . n 
B 2 28 PRO 28 28 28 PRO PRO B . n 
B 2 29 LYS 29 29 29 LYS LYS B . n 
C 1 1  GLY 1  1  1  GLY GLY C . n 
C 1 2  ILE 2  2  2  ILE ILE C . n 
C 1 3  VAL 3  3  3  VAL VAL C . n 
C 1 4  GLU 4  4  4  GLU GLU C . n 
C 1 5  GLN 5  5  5  GLN GLN C . n 
C 1 6  CYS 6  6  6  CYS CYS C . n 
C 1 7  CYS 7  7  7  CYS CYS C . n 
C 1 8  THR 8  8  8  THR THR C . n 
C 1 9  SER 9  9  9  SER SER C . n 
C 1 10 ILE 10 10 10 ILE ILE C . n 
C 1 11 CYS 11 11 11 CYS CYS C . n 
C 1 12 SER 12 12 12 SER SER C . n 
C 1 13 LEU 13 13 13 LEU LEU C . n 
C 1 14 TYR 14 14 14 TYR TYR C . n 
C 1 15 GLN 15 15 15 GLN GLN C . n 
C 1 16 LEU 16 16 16 LEU LEU C . n 
C 1 17 GLU 17 17 17 GLU GLU C . n 
C 1 18 ASN 18 18 18 ASN ASN C . n 
C 1 19 TYR 19 19 19 TYR TYR C . n 
C 1 20 CYS 20 20 20 CYS CYS C . n 
C 1 21 ASN 21 21 21 ASN ASN C . n 
D 2 1  PHE 1  1  1  PHE PHE D . n 
D 2 2  VAL 2  2  2  VAL VAL D . n 
D 2 3  ASN 3  3  3  ASN ASN D . n 
D 2 4  GLN 4  4  4  GLN GLN D . n 
D 2 5  HIS 5  5  5  HIS HIS D . n 
D 2 6  LEU 6  6  6  LEU LEU D . n 
D 2 7  CYS 7  7  7  CYS CYS D . n 
D 2 8  GLY 8  8  8  GLY GLY D . n 
D 2 9  SER 9  9  9  SER SER D . n 
D 2 10 HIS 10 10 10 HIS HIS D . n 
D 2 11 LEU 11 11 11 LEU LEU D . n 
D 2 12 VAL 12 12 12 VAL VAL D . n 
D 2 13 GLU 13 13 13 GLU GLU D . n 
D 2 14 ALA 14 14 14 ALA ALA D . n 
D 2 15 LEU 15 15 15 LEU LEU D . n 
D 2 16 TYR 16 16 16 TYR TYR D . n 
D 2 17 LEU 17 17 17 LEU LEU D . n 
D 2 18 VAL 18 18 18 VAL VAL D . n 
D 2 19 CYS 19 19 19 CYS CYS D . n 
D 2 20 GLY 20 20 20 GLY GLY D . n 
D 2 21 GLU 21 21 21 GLU GLU D . n 
D 2 22 ARG 22 22 22 ARG ARG D . n 
D 2 23 GLY 23 23 23 GLY GLY D . n 
D 2 24 PHE 24 24 24 PHE PHE D . n 
D 2 25 PHE 25 25 25 PHE PHE D . n 
D 2 26 TYR 26 26 26 TYR TYR D . n 
D 2 27 THR 27 27 27 THR THR D . n 
D 2 28 PRO 28 28 28 PRO PRO D . n 
D 2 29 LYS 29 29 29 LYS LYS D . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 CL  ? ? CL  ? ? 'SUBJECT OF INVESTIGATION' ? 
2 IPH ? ? IPH ? ? 'SUBJECT OF INVESTIGATION' ? 
3 MYR ? ? MYR ? ? 'SUBJECT OF INVESTIGATION' ? 
4 ZN  ? ? ZN  ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
E 3 IPH 1 101 22 IPH IPH B . 
F 4 ZN  1 102 30 ZN  ZN  B . 
G 5 CL  1 103 31 CL  CL  B . 
H 6 MYR 1 104 39 MYR MYR B . 
I 3 IPH 1 101 22 IPH IPH D . 
J 4 ZN  1 102 30 ZN  ZN  D . 
K 5 CL  1 103 31 CL  CL  D . 
L 6 MYR 1 104 39 MYR MYR D . 
M 7 HOH 1 201 1  HOH HOH B . 
# 
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 GLU 13 ? CD  ? B GLU 13 CD  
9  1 Y 0 B GLU 13 ? OE2 ? B GLU 13 OE2 
10 1 Y 0 B GLU 21 ? CA  ? B GLU 21 CA  
11 1 Y 0 B LYS 29 ? N   ? B LYS 29 N   
12 1 Y 0 B LYS 29 ? CA  ? B LYS 29 CA  
13 1 Y 0 B LYS 29 ? C   ? B LYS 29 C   
14 1 Y 0 B LYS 29 ? O   ? B LYS 29 O   
15 1 Y 0 B LYS 29 ? CB  ? B LYS 29 CB  
16 1 Y 0 B LYS 29 ? CG  ? B LYS 29 CG  
17 1 Y 0 B LYS 29 ? CD  ? B LYS 29 CD  
18 1 Y 0 B LYS 29 ? CE  ? B LYS 29 CE  
19 1 Y 0 B LYS 29 ? NZ  ? B LYS 29 NZ  
20 1 Y 0 C GLU 4  ? CG  ? C GLU 4  CG  
21 1 Y 0 C GLU 4  ? CD  ? C GLU 4  CD  
22 1 Y 0 C GLU 4  ? OE1 ? C GLU 4  OE1 
23 1 Y 0 C GLU 4  ? OE2 ? C GLU 4  OE2 
24 1 Y 0 D ASN 3  ? CG  ? D ASN 3  CG  
25 1 Y 0 D ASN 3  ? OD1 ? D ASN 3  OD1 
26 1 Y 0 D ASN 3  ? ND2 ? D ASN 3  ND2 
27 1 Y 0 D LEU 17 ? CG  A D LEU 17 CG  
28 1 Y 0 D LEU 17 ? CD1 A D LEU 17 CD1 
29 1 Y 0 D LEU 17 ? CD2 A D LEU 17 CD2 
30 1 Y 0 D GLU 21 ? CB  ? D GLU 21 CB  
31 1 Y 0 D GLU 21 ? CG  ? D GLU 21 CG  
32 1 Y 0 D GLU 21 ? CD  ? D GLU 21 CD  
33 1 Y 0 D GLU 21 ? OE1 ? D GLU 21 OE1 
34 1 Y 0 D GLU 21 ? OE2 ? D GLU 21 OE2 
35 1 Y 0 D LYS 29 ? CB  ? D LYS 29 CB  
36 1 Y 0 D LYS 29 ? CG  ? D LYS 29 CG  
37 1 Y 0 D LYS 29 ? CD  ? D LYS 29 CD  
38 1 Y 0 D LYS 29 ? CE  ? D LYS 29 CE  
39 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      ? ? ? '(1.19.2_4158: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000    ? ? ? .                    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                     9LVD 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     80.711 
_cell.length_a_esd                 ? 
_cell.length_b                     80.711 
_cell.length_b_esd                 ? 
_cell.length_c                     39.640 
_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                         9LVD 
_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                   9LVD 
_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             2.17 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          43.40 
_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                     200 
_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                                       9LVD 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.85 
_reflns.d_resolution_low                               17.56 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     2306 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.53 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                20 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          6.46 
_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                                   0.934 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.85 
_reflns_shell.d_res_low                                     2.951 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             202 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.33 
_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                                 9LVD 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.85 
_refine.ls_d_res_low                             17.55 
_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                     2264 
_refine.ls_number_reflns_R_free                  220 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.91 
_refine.ls_percent_reflns_R_free                 9.72 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.3 
_refine.ls_R_factor_R_free                       0.33 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.28 
_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                          0.16 
_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             1.11 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 34.79 
_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                            0.47 
_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             1 
_refine_hist.number_atoms_total               845 
_refine_hist.d_res_high                       2.85 
_refine_hist.d_res_low                        17.55 
# 
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  ? 864  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.432  ? 1153 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 16.547 ? 315  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.033  ? 122  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.002  ? 145  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.85 2.951 . . 17 189 93.00  . . . . 0.3620 . . . . . . . . . . . 0.3702 
'X-RAY DIFFRACTION' 2.93 3.05  . . 22 209 99.00  . . . . 0.3665 . . . . . . . . . . . 0.3739 
'X-RAY DIFFRACTION' 3.05 3.19  . . 22 205 99.00  . . . . 0.3901 . . . . . . . . . . . 0.4130 
'X-RAY DIFFRACTION' 3.19 3.35  . . 22 219 100.00 . . . . 0.3693 . . . . . . . . . . . 0.4167 
'X-RAY DIFFRACTION' 3.36 3.56  . . 23 186 99.00  . . . . 0.3336 . . . . . . . . . . . 0.4140 
'X-RAY DIFFRACTION' 3.56 3.83  . . 23 210 99.00  . . . . 0.3408 . . . . . . . . . . . 0.4338 
'X-RAY DIFFRACTION' 3.84 4.22  . . 23 198 100.00 . . . . 0.2875 . . . . . . . . . . . 0.3405 
'X-RAY DIFFRACTION' 4.22 4.82  . . 24 220 100.00 . . . . 0.2786 . . . . . . . . . . . 0.3964 
'X-RAY DIFFRACTION' 4.84 5.99  . . 20 203 100.00 . . . . 0.3254 . . . . . . . . . . . 0.4105 
'X-RAY DIFFRACTION' 6.05 10    . . 24 205 100.00 . . . . 0.2703 . . . . . . . . . . . 0.2876 
# 
_struct.entry_id                     9LVD 
_struct.title                        'Temperature induces a shift from the dihexamer to the hexamer form of insulin (200K)' 
_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        9LVD 
_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 ? 
M N N 7 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP INS_HUMAN P01308 ? 1 GIVEQCCTSICSLYQLENYCN         90 
2 UNP INS_HUMAN P01308 ? 2 FVNQHLCGSHLVEALYLVCGERGFFYTPK 25 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9LVD A 1 ? 21 ? P01308 90 ? 110 ? 1 21 
2 2 9LVD B 1 ? 29 ? P01308 25 ? 53  ? 1 29 
3 1 9LVD C 1 ? 21 ? P01308 90 ? 110 ? 1 21 
4 2 9LVD 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)' 26580 ? 
1 MORE         -934  ? 
1 'SSA (A^2)'  9810  ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2,3 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L,M 
# 
_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 ILE A 2  ? CYS A 7  ? ILE A 2  CYS A 7  1 ? 6  
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 
# 
_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 ? ? ? ? ? ? ? 2.027 ? ? 
disulf2 disulf ?    ? A CYS 7  SG  ? ? ? 1_555 B CYS 7  SG  ? ? A CYS 7   B CYS 7   1_555 ? ? ? ? ? ? ? 2.032 ? ? 
disulf3 disulf ?    ? A CYS 20 SG  ? ? ? 1_555 B CYS 19 SG  ? ? A CYS 20  B CYS 19  1_555 ? ? ? ? ? ? ? 2.029 ? ? 
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 ? ? ? ? ? ? ? 2.029 ? ? 
covale1 covale one  ? B LYS 29 NZ  ? ? ? 1_555 H MYR .  C1  ? ? B LYS 29  B MYR 104 1_555 ? ? ? ? ? ? ? 1.430 ? ? 
covale2 covale none ? H MYR .  C14 ? ? ? 1_555 L MYR .  C13 ? ? B MYR 104 D MYR 104 1_556 ? ? ? ? ? ? ? 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 ? ? ? ? ? ? ? 2.301 ? ? 
metalc2 metalc ?    ? B HIS 10 NE2 ? ? ? 1_555 F ZN  .  ZN  ? ? B HIS 10  B ZN  102 3_555 ? ? ? ? ? ? ? 2.374 ? ? 
metalc3 metalc ?    ? D HIS 10 NE2 ? ? ? 1_555 J ZN  .  ZN  ? ? D HIS 10  D ZN  102 1_555 ? ? ? ? ? ? ? 2.297 ? ? 
metalc4 metalc ?    ? D HIS 10 NE2 ? ? ? 1_555 J ZN  .  ZN  ? ? D HIS 10  D ZN  102 2_555 ? ? ? ? ? ? ? 2.115 ? ? 
# 
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                   9LVD 
_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 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 NZ  B LYS 29 ? ? C2 B MYR 104 ? ? 1.97 
2 1 OXT A ASN 21 ? ? NE B ARG 22  ? B 2.17 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 CG2 A THR 8   ? ? 1_555 C6  D MYR 104 ? ? 1_556 1.49 
2 1 CG2 A THR 8   ? ? 1_555 C5  D MYR 104 ? ? 1_556 2.00 
3 1 CG2 A THR 8   ? ? 1_555 C7  D MYR 104 ? ? 1_556 2.08 
4 1 C14 B MYR 104 ? ? 1_555 C12 D MYR 104 ? ? 1_556 2.10 
# 
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 B CL 103 ? G CL . 
3 1 D ZN 102 ? J ZN . 
4 1 D CL 103 ? K CL . 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -8.5401  13.5788 33.9559 0.7351 ? 0.4215  ? -0.3058 ? 0.5938 ? -0.0659 ? 0.6302  ? 1.5275 ? 0.8183 
? 0.9093  ? 1.6150 ? 0.6460  ? 0.9459 ? -0.2067 ? -0.4359 ? -0.0091 ? 0.6323  ? 0.1919  ? -0.1987 ? 0.0079  ? 0.0404  ? 0.0768  ? 
2 'X-RAY DIFFRACTION' ? refined -11.3795 6.5080  33.8920 1.1899 ? 0.0432  ? 0.7235  ? 0.7410 ? 0.0498  ? 0.8374  ? 0.5747 ? 0.9480 
? -0.6465 ? 2.7205 ? 1.0627  ? 4.6645 ? 0.2524  ? -0.5890 ? 0.0126  ? 0.4514  ? -0.0800 ? 0.0145  ? 0.1394  ? 0.2922  ? 0.2686  ? 
3 'X-RAY DIFFRACTION' ? refined -15.0388 12.9478 24.9889 0.8040 ? -0.1692 ? 0.2903  ? 0.8851 ? -0.2502 ? 0.2994  ? 0.0145 ? 0.0790 
? -0.0090 ? 0.3965 ? -0.0373 ? 0.0024 ? 0.1961  ? -0.1852 ? 0.0821  ? 0.2225  ? -0.2323 ? 0.2000  ? -0.3412 ? -0.1845 ? 0.0205  ? 
4 'X-RAY DIFFRACTION' ? refined -5.2557  8.6402  24.7517 0.3848 ? -0.1440 ? -0.3029 ? 0.4156 ? 0.1234  ? -0.0779 ? 3.2028 ? 0.1254 
? -1.8886 ? 4.7316 ? 0.4202  ? 2.2193 ? 0.0464  ? -0.0380 ? 0.2121  ? -0.1117 ? 0.2364  ? -0.2532 ? 0.0131  ? 0.3237  ? 0.4181  ? 
5 'X-RAY DIFFRACTION' ? refined -4.4907  17.3603 26.1833 0.5055 ? 0.2924  ? 0.0953  ? 1.0311 ? -0.2361 ? 0.7649  ? 0.4805 ? 0.0165 
? -0.4918 ? 4.3435 ? 4.4569  ? 5.1072 ? -0.4367 ? -0.5753 ? 0.8436  ? -0.0122 ? 0.0113  ? 0.2909  ? -0.8332 ? -1.0736 ? 0.4019  ? 
6 'X-RAY DIFFRACTION' ? refined 4.2876   13.6878 7.7564  0.4697 ? -0.0570 ? -0.0820 ? 0.3141 ? 0.1037  ? 0.4275  ? 0.9596 ? 1.4680 
? -0.5162 ? 2.4545 ? 0.2227  ? 5.2481 ? 0.0217  ? 0.0834  ? 0.4274  ? -0.0273 ? 0.1716  ? -0.4588 ? -0.5698 ? -0.5315 ? 0.0045  ? 
7 'X-RAY DIFFRACTION' ? refined 7.7911   18.9330 16.8040 1.0381 ? 0.1134  ? -0.0875 ? 0.7744 ? -0.2135 ? 0.3883  ? 0.6369 ? 0.2998 
? 0.9378  ? 3.2640 ? 1.4078  ? 4.5779 ? 0.3102  ? 0.6127  ? 0.3486  ? -0.0531 ? -0.1602 ? -0.2575 ? 0.3677  ? 1.1890  ? -0.0423 ? 
8 'X-RAY DIFFRACTION' ? refined 0.5963   9.6219  16.5662 0.5910 ? 0.7928  ? 0.0311  ? 0.5195 ? -0.4768 ? 0.0461  ? 0.9392 ? 
-0.1728 ? -0.5525 ? 0.9504 ? 0.2176  ? 0.5395 ? 0.1076  ? 0.1654  ? 0.1105  ? -0.2619 ? -0.2737 ? 0.4010  ? -0.2217 ? -0.3284 ? 
-0.7265 ? 
9 'X-RAY DIFFRACTION' ? refined -4.2052  17.0883 15.3974 0.4691 ? 0.1771  ? -0.1323 ? 0.2224 ? -0.2846 ? 0.4529  ? 3.9863 ? 
-2.6425 ? 2.2932  ? 4.8216 ? -2.8797 ? 3.0748 ? 0.0435  ? -0.1128 ? 0.3267  ? 0.1490  ? -0.0338 ? 0.1203  ? -0.4755 ? -0.1846 ? 
0.5162  ? 
# 
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 22 )
;
5 'X-RAY DIFFRACTION' 5 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 23 through 29 )
;
6 'X-RAY DIFFRACTION' 6 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 1 through 12 )
;
7 'X-RAY DIFFRACTION' 7 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 13 through 21 )
;
8 'X-RAY DIFFRACTION' 8 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'D' and (resid 1 through 22 )
;
9 'X-RAY DIFFRACTION' 9 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'D' and (resid 23 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 D CL  103 ? K CL  ? 
2 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 
HOH O    O  N N 143 
HOH H1   H  N N 144 
HOH H2   H  N N 145 
ILE N    N  N N 146 
ILE CA   C  N S 147 
ILE C    C  N N 148 
ILE O    O  N N 149 
ILE CB   C  N S 150 
ILE CG1  C  N N 151 
ILE CG2  C  N N 152 
ILE CD1  C  N N 153 
ILE OXT  O  N N 154 
ILE H    H  N N 155 
ILE H2   H  N N 156 
ILE HA   H  N N 157 
ILE HB   H  N N 158 
ILE HG12 H  N N 159 
ILE HG13 H  N N 160 
ILE HG21 H  N N 161 
ILE HG22 H  N N 162 
ILE HG23 H  N N 163 
ILE HD11 H  N N 164 
ILE HD12 H  N N 165 
ILE HD13 H  N N 166 
ILE HXT  H  N N 167 
IPH C1   C  Y N 168 
IPH C2   C  Y N 169 
IPH C3   C  Y N 170 
IPH C4   C  Y N 171 
IPH C5   C  Y N 172 
IPH C6   C  Y N 173 
IPH O1   O  N N 174 
IPH H2   H  N N 175 
IPH H3   H  N N 176 
IPH H4   H  N N 177 
IPH H5   H  N N 178 
IPH H6   H  N N 179 
IPH HO1  H  N N 180 
LEU N    N  N N 181 
LEU CA   C  N S 182 
LEU C    C  N N 183 
LEU O    O  N N 184 
LEU CB   C  N N 185 
LEU CG   C  N N 186 
LEU CD1  C  N N 187 
LEU CD2  C  N N 188 
LEU OXT  O  N N 189 
LEU H    H  N N 190 
LEU H2   H  N N 191 
LEU HA   H  N N 192 
LEU HB2  H  N N 193 
LEU HB3  H  N N 194 
LEU HG   H  N N 195 
LEU HD11 H  N N 196 
LEU HD12 H  N N 197 
LEU HD13 H  N N 198 
LEU HD21 H  N N 199 
LEU HD22 H  N N 200 
LEU HD23 H  N N 201 
LEU HXT  H  N N 202 
LYS N    N  N N 203 
LYS CA   C  N S 204 
LYS C    C  N N 205 
LYS O    O  N N 206 
LYS CB   C  N N 207 
LYS CG   C  N N 208 
LYS CD   C  N N 209 
LYS CE   C  N N 210 
LYS NZ   N  N N 211 
LYS OXT  O  N N 212 
LYS H    H  N N 213 
LYS H2   H  N N 214 
LYS HA   H  N N 215 
LYS HB2  H  N N 216 
LYS HB3  H  N N 217 
LYS HG2  H  N N 218 
LYS HG3  H  N N 219 
LYS HD2  H  N N 220 
LYS HD3  H  N N 221 
LYS HE2  H  N N 222 
LYS HE3  H  N N 223 
LYS HZ1  H  N N 224 
LYS HZ2  H  N N 225 
LYS HZ3  H  N N 226 
LYS HXT  H  N N 227 
MYR C1   C  N N 228 
MYR O1   O  N N 229 
MYR O2   O  N N 230 
MYR C2   C  N N 231 
MYR C3   C  N N 232 
MYR C4   C  N N 233 
MYR C5   C  N N 234 
MYR C6   C  N N 235 
MYR C7   C  N N 236 
MYR C8   C  N N 237 
MYR C9   C  N N 238 
MYR C10  C  N N 239 
MYR C11  C  N N 240 
MYR C12  C  N N 241 
MYR C13  C  N N 242 
MYR C14  C  N N 243 
MYR HO2  H  N N 244 
MYR H21  H  N N 245 
MYR H22  H  N N 246 
MYR H31  H  N N 247 
MYR H32  H  N N 248 
MYR H41  H  N N 249 
MYR H42  H  N N 250 
MYR H51  H  N N 251 
MYR H52  H  N N 252 
MYR H61  H  N N 253 
MYR H62  H  N N 254 
MYR H71  H  N N 255 
MYR H72  H  N N 256 
MYR H81  H  N N 257 
MYR H82  H  N N 258 
MYR H91  H  N N 259 
MYR H92  H  N N 260 
MYR H101 H  N N 261 
MYR H102 H  N N 262 
MYR H111 H  N N 263 
MYR H112 H  N N 264 
MYR H121 H  N N 265 
MYR H122 H  N N 266 
MYR H131 H  N N 267 
MYR H132 H  N N 268 
MYR H141 H  N N 269 
MYR H142 H  N N 270 
MYR H143 H  N N 271 
PHE N    N  N N 272 
PHE CA   C  N S 273 
PHE C    C  N N 274 
PHE O    O  N N 275 
PHE CB   C  N N 276 
PHE CG   C  Y N 277 
PHE CD1  C  Y N 278 
PHE CD2  C  Y N 279 
PHE CE1  C  Y N 280 
PHE CE2  C  Y N 281 
PHE CZ   C  Y N 282 
PHE OXT  O  N N 283 
PHE H    H  N N 284 
PHE H2   H  N N 285 
PHE HA   H  N N 286 
PHE HB2  H  N N 287 
PHE HB3  H  N N 288 
PHE HD1  H  N N 289 
PHE HD2  H  N N 290 
PHE HE1  H  N N 291 
PHE HE2  H  N N 292 
PHE HZ   H  N N 293 
PHE HXT  H  N N 294 
PRO N    N  N N 295 
PRO CA   C  N S 296 
PRO C    C  N N 297 
PRO O    O  N N 298 
PRO CB   C  N N 299 
PRO CG   C  N N 300 
PRO CD   C  N N 301 
PRO OXT  O  N N 302 
PRO H    H  N N 303 
PRO HA   H  N N 304 
PRO HB2  H  N N 305 
PRO HB3  H  N N 306 
PRO HG2  H  N N 307 
PRO HG3  H  N N 308 
PRO HD2  H  N N 309 
PRO HD3  H  N N 310 
PRO HXT  H  N N 311 
SER N    N  N N 312 
SER CA   C  N S 313 
SER C    C  N N 314 
SER O    O  N N 315 
SER CB   C  N N 316 
SER OG   O  N N 317 
SER OXT  O  N N 318 
SER H    H  N N 319 
SER H2   H  N N 320 
SER HA   H  N N 321 
SER HB2  H  N N 322 
SER HB3  H  N N 323 
SER HG   H  N N 324 
SER HXT  H  N N 325 
THR N    N  N N 326 
THR CA   C  N S 327 
THR C    C  N N 328 
THR O    O  N N 329 
THR CB   C  N R 330 
THR OG1  O  N N 331 
THR CG2  C  N N 332 
THR OXT  O  N N 333 
THR H    H  N N 334 
THR H2   H  N N 335 
THR HA   H  N N 336 
THR HB   H  N N 337 
THR HG1  H  N N 338 
THR HG21 H  N N 339 
THR HG22 H  N N 340 
THR HG23 H  N N 341 
THR HXT  H  N N 342 
TYR N    N  N N 343 
TYR CA   C  N S 344 
TYR C    C  N N 345 
TYR O    O  N N 346 
TYR CB   C  N N 347 
TYR CG   C  Y N 348 
TYR CD1  C  Y N 349 
TYR CD2  C  Y N 350 
TYR CE1  C  Y N 351 
TYR CE2  C  Y N 352 
TYR CZ   C  Y N 353 
TYR OH   O  N N 354 
TYR OXT  O  N N 355 
TYR H    H  N N 356 
TYR H2   H  N N 357 
TYR HA   H  N N 358 
TYR HB2  H  N N 359 
TYR HB3  H  N N 360 
TYR HD1  H  N N 361 
TYR HD2  H  N N 362 
TYR HE1  H  N N 363 
TYR HE2  H  N N 364 
TYR HH   H  N N 365 
TYR HXT  H  N N 366 
VAL N    N  N N 367 
VAL CA   C  N S 368 
VAL C    C  N N 369 
VAL O    O  N N 370 
VAL CB   C  N N 371 
VAL CG1  C  N N 372 
VAL CG2  C  N N 373 
VAL OXT  O  N N 374 
VAL H    H  N N 375 
VAL H2   H  N N 376 
VAL HA   H  N N 377 
VAL HB   H  N N 378 
VAL HG11 H  N N 379 
VAL HG12 H  N N 380 
VAL HG13 H  N N 381 
VAL HG21 H  N N 382 
VAL HG22 H  N N 383 
VAL HG23 H  N N 384 
VAL HXT  H  N N 385 
ZN  ZN   ZN N N 386 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
CYS N   CA   sing N N 55  
CYS N   H    sing N N 56  
CYS N   H2   sing N N 57  
CYS CA  C    sing N N 58  
CYS CA  CB   sing N N 59  
CYS CA  HA   sing N N 60  
CYS C   O    doub N N 61  
CYS C   OXT  sing N N 62  
CYS CB  SG   sing N N 63  
CYS CB  HB2  sing N N 64  
CYS CB  HB3  sing N N 65  
CYS SG  HG   sing N N 66  
CYS OXT HXT  sing N N 67  
GLN N   CA   sing N N 68  
GLN N   H    sing N N 69  
GLN N   H2   sing N N 70  
GLN CA  C    sing N N 71  
GLN CA  CB   sing N N 72  
GLN CA  HA   sing N N 73  
GLN C   O    doub N N 74  
GLN C   OXT  sing N N 75  
GLN CB  CG   sing N N 76  
GLN CB  HB2  sing N N 77  
GLN CB  HB3  sing N N 78  
GLN CG  CD   sing N N 79  
GLN CG  HG2  sing N N 80  
GLN CG  HG3  sing N N 81  
GLN CD  OE1  doub N N 82  
GLN CD  NE2  sing N N 83  
GLN NE2 HE21 sing N N 84  
GLN NE2 HE22 sing N N 85  
GLN OXT HXT  sing N N 86  
GLU N   CA   sing N N 87  
GLU N   H    sing N N 88  
GLU N   H2   sing N N 89  
GLU CA  C    sing N N 90  
GLU CA  CB   sing N N 91  
GLU CA  HA   sing N N 92  
GLU C   O    doub N N 93  
GLU C   OXT  sing N N 94  
GLU CB  CG   sing N N 95  
GLU CB  HB2  sing N N 96  
GLU CB  HB3  sing N N 97  
GLU CG  CD   sing N N 98  
GLU CG  HG2  sing N N 99  
GLU CG  HG3  sing N N 100 
GLU CD  OE1  doub N N 101 
GLU CD  OE2  sing N N 102 
GLU OE2 HE2  sing N N 103 
GLU OXT HXT  sing N N 104 
GLY N   CA   sing N N 105 
GLY N   H    sing N N 106 
GLY N   H2   sing N N 107 
GLY CA  C    sing N N 108 
GLY CA  HA2  sing N N 109 
GLY CA  HA3  sing N N 110 
GLY C   O    doub N N 111 
GLY C   OXT  sing N N 112 
GLY OXT HXT  sing N N 113 
HIS N   CA   sing N N 114 
HIS N   H    sing N N 115 
HIS N   H2   sing N N 116 
HIS CA  C    sing N N 117 
HIS CA  CB   sing N N 118 
HIS CA  HA   sing N N 119 
HIS C   O    doub N N 120 
HIS C   OXT  sing N N 121 
HIS CB  CG   sing N N 122 
HIS CB  HB2  sing N N 123 
HIS CB  HB3  sing N N 124 
HIS CG  ND1  sing Y N 125 
HIS CG  CD2  doub Y N 126 
HIS ND1 CE1  doub Y N 127 
HIS ND1 HD1  sing N N 128 
HIS CD2 NE2  sing Y N 129 
HIS CD2 HD2  sing N N 130 
HIS CE1 NE2  sing Y N 131 
HIS CE1 HE1  sing N N 132 
HIS NE2 HE2  sing N N 133 
HIS OXT HXT  sing N N 134 
HOH O   H1   sing N N 135 
HOH O   H2   sing N N 136 
ILE N   CA   sing N N 137 
ILE N   H    sing N N 138 
ILE N   H2   sing N N 139 
ILE CA  C    sing N N 140 
ILE CA  CB   sing N N 141 
ILE CA  HA   sing N N 142 
ILE C   O    doub N N 143 
ILE C   OXT  sing N N 144 
ILE CB  CG1  sing N N 145 
ILE CB  CG2  sing N N 146 
ILE CB  HB   sing N N 147 
ILE CG1 CD1  sing N N 148 
ILE CG1 HG12 sing N N 149 
ILE CG1 HG13 sing N N 150 
ILE CG2 HG21 sing N N 151 
ILE CG2 HG22 sing N N 152 
ILE CG2 HG23 sing N N 153 
ILE CD1 HD11 sing N N 154 
ILE CD1 HD12 sing N N 155 
ILE CD1 HD13 sing N N 156 
ILE OXT HXT  sing N N 157 
IPH C1  C2   doub Y N 158 
IPH C1  C6   sing Y N 159 
IPH C1  O1   sing N N 160 
IPH C2  C3   sing Y N 161 
IPH C2  H2   sing N N 162 
IPH C3  C4   doub Y N 163 
IPH C3  H3   sing N N 164 
IPH C4  C5   sing Y N 165 
IPH C4  H4   sing N N 166 
IPH C5  C6   doub Y N 167 
IPH C5  H5   sing N N 168 
IPH C6  H6   sing N N 169 
IPH O1  HO1  sing N N 170 
LEU N   CA   sing N N 171 
LEU N   H    sing N N 172 
LEU N   H2   sing N N 173 
LEU CA  C    sing N N 174 
LEU CA  CB   sing N N 175 
LEU CA  HA   sing N N 176 
LEU C   O    doub N N 177 
LEU C   OXT  sing N N 178 
LEU CB  CG   sing N N 179 
LEU CB  HB2  sing N N 180 
LEU CB  HB3  sing N N 181 
LEU CG  CD1  sing N N 182 
LEU CG  CD2  sing N N 183 
LEU CG  HG   sing N N 184 
LEU CD1 HD11 sing N N 185 
LEU CD1 HD12 sing N N 186 
LEU CD1 HD13 sing N N 187 
LEU CD2 HD21 sing N N 188 
LEU CD2 HD22 sing N N 189 
LEU CD2 HD23 sing N N 190 
LEU OXT HXT  sing N N 191 
LYS N   CA   sing N N 192 
LYS N   H    sing N N 193 
LYS N   H2   sing N N 194 
LYS CA  C    sing N N 195 
LYS CA  CB   sing N N 196 
LYS CA  HA   sing N N 197 
LYS C   O    doub N N 198 
LYS C   OXT  sing N N 199 
LYS CB  CG   sing N N 200 
LYS CB  HB2  sing N N 201 
LYS CB  HB3  sing N N 202 
LYS CG  CD   sing N N 203 
LYS CG  HG2  sing N N 204 
LYS CG  HG3  sing N N 205 
LYS CD  CE   sing N N 206 
LYS CD  HD2  sing N N 207 
LYS CD  HD3  sing N N 208 
LYS CE  NZ   sing N N 209 
LYS CE  HE2  sing N N 210 
LYS CE  HE3  sing N N 211 
LYS NZ  HZ1  sing N N 212 
LYS NZ  HZ2  sing N N 213 
LYS NZ  HZ3  sing N N 214 
LYS OXT HXT  sing N N 215 
MYR C1  O1   doub N N 216 
MYR C1  O2   sing N N 217 
MYR C1  C2   sing N N 218 
MYR O2  HO2  sing N N 219 
MYR C2  C3   sing N N 220 
MYR C2  H21  sing N N 221 
MYR C2  H22  sing N N 222 
MYR C3  C4   sing N N 223 
MYR C3  H31  sing N N 224 
MYR C3  H32  sing N N 225 
MYR C4  C5   sing N N 226 
MYR C4  H41  sing N N 227 
MYR C4  H42  sing N N 228 
MYR C5  C6   sing N N 229 
MYR C5  H51  sing N N 230 
MYR C5  H52  sing N N 231 
MYR C6  C7   sing N N 232 
MYR C6  H61  sing N N 233 
MYR C6  H62  sing N N 234 
MYR C7  C8   sing N N 235 
MYR C7  H71  sing N N 236 
MYR C7  H72  sing N N 237 
MYR C8  C9   sing N N 238 
MYR C8  H81  sing N N 239 
MYR C8  H82  sing N N 240 
MYR C9  C10  sing N N 241 
MYR C9  H91  sing N N 242 
MYR C9  H92  sing N N 243 
MYR C10 C11  sing N N 244 
MYR C10 H101 sing N N 245 
MYR C10 H102 sing N N 246 
MYR C11 C12  sing N N 247 
MYR C11 H111 sing N N 248 
MYR C11 H112 sing N N 249 
MYR C12 C13  sing N N 250 
MYR C12 H121 sing N N 251 
MYR C12 H122 sing N N 252 
MYR C13 C14  sing N N 253 
MYR C13 H131 sing N N 254 
MYR C13 H132 sing N N 255 
MYR C14 H141 sing N N 256 
MYR C14 H142 sing N N 257 
MYR C14 H143 sing N N 258 
PHE N   CA   sing N N 259 
PHE N   H    sing N N 260 
PHE N   H2   sing N N 261 
PHE CA  C    sing N N 262 
PHE CA  CB   sing N N 263 
PHE CA  HA   sing N N 264 
PHE C   O    doub N N 265 
PHE C   OXT  sing N N 266 
PHE CB  CG   sing N N 267 
PHE CB  HB2  sing N N 268 
PHE CB  HB3  sing N N 269 
PHE CG  CD1  doub Y N 270 
PHE CG  CD2  sing Y N 271 
PHE CD1 CE1  sing Y N 272 
PHE CD1 HD1  sing N N 273 
PHE CD2 CE2  doub Y N 274 
PHE CD2 HD2  sing N N 275 
PHE CE1 CZ   doub Y N 276 
PHE CE1 HE1  sing N N 277 
PHE CE2 CZ   sing Y N 278 
PHE CE2 HE2  sing N N 279 
PHE CZ  HZ   sing N N 280 
PHE OXT HXT  sing N N 281 
PRO N   CA   sing N N 282 
PRO N   CD   sing N N 283 
PRO N   H    sing N N 284 
PRO CA  C    sing N N 285 
PRO CA  CB   sing N N 286 
PRO CA  HA   sing N N 287 
PRO C   O    doub N N 288 
PRO C   OXT  sing N N 289 
PRO CB  CG   sing N N 290 
PRO CB  HB2  sing N N 291 
PRO CB  HB3  sing N N 292 
PRO CG  CD   sing N N 293 
PRO CG  HG2  sing N N 294 
PRO CG  HG3  sing N N 295 
PRO CD  HD2  sing N N 296 
PRO CD  HD3  sing N N 297 
PRO OXT HXT  sing N N 298 
SER N   CA   sing N N 299 
SER N   H    sing N N 300 
SER N   H2   sing N N 301 
SER CA  C    sing N N 302 
SER CA  CB   sing N N 303 
SER CA  HA   sing N N 304 
SER C   O    doub N N 305 
SER C   OXT  sing N N 306 
SER CB  OG   sing N N 307 
SER CB  HB2  sing N N 308 
SER CB  HB3  sing N N 309 
SER OG  HG   sing N N 310 
SER OXT HXT  sing N N 311 
THR N   CA   sing N N 312 
THR N   H    sing N N 313 
THR N   H2   sing N N 314 
THR CA  C    sing N N 315 
THR CA  CB   sing N N 316 
THR CA  HA   sing N N 317 
THR C   O    doub N N 318 
THR C   OXT  sing N N 319 
THR CB  OG1  sing N N 320 
THR CB  CG2  sing N N 321 
THR CB  HB   sing N N 322 
THR OG1 HG1  sing N N 323 
THR CG2 HG21 sing N N 324 
THR CG2 HG22 sing N N 325 
THR CG2 HG23 sing N N 326 
THR OXT HXT  sing N N 327 
TYR N   CA   sing N N 328 
TYR N   H    sing N N 329 
TYR N   H2   sing N N 330 
TYR CA  C    sing N N 331 
TYR CA  CB   sing N N 332 
TYR CA  HA   sing N N 333 
TYR C   O    doub N N 334 
TYR C   OXT  sing N N 335 
TYR CB  CG   sing N N 336 
TYR CB  HB2  sing N N 337 
TYR CB  HB3  sing N N 338 
TYR CG  CD1  doub Y N 339 
TYR CG  CD2  sing Y N 340 
TYR CD1 CE1  sing Y N 341 
TYR CD1 HD1  sing N N 342 
TYR CD2 CE2  doub Y N 343 
TYR CD2 HD2  sing N N 344 
TYR CE1 CZ   doub Y N 345 
TYR CE1 HE1  sing N N 346 
TYR CE2 CZ   sing Y N 347 
TYR CE2 HE2  sing N N 348 
TYR CZ  OH   sing N N 349 
TYR OH  HH   sing N N 350 
TYR OXT HXT  sing N N 351 
VAL N   CA   sing N N 352 
VAL N   H    sing N N 353 
VAL N   H2   sing N N 354 
VAL CA  C    sing N N 355 
VAL CA  CB   sing N N 356 
VAL CA  HA   sing N N 357 
VAL C   O    doub N N 358 
VAL C   OXT  sing N N 359 
VAL CB  CG1  sing N N 360 
VAL CB  CG2  sing N N 361 
VAL CB  HB   sing N N 362 
VAL CG1 HG11 sing N N 363 
VAL CG1 HG12 sing N N 364 
VAL CG1 HG13 sing N N 365 
VAL CG2 HG21 sing N N 366 
VAL CG2 HG22 sing N N 367 
VAL CG2 HG23 sing N N 368 
VAL OXT HXT  sing N N 369 
# 
_pdbx_audit_support.funding_organization   'Other government' 
_pdbx_audit_support.country                Turkey 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   1XDA 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9LVD 
_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]   0.012390 
_atom_sites.fract_transf_matrix[1][2]   0.007153 
_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]   0.014307 
_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]   0.025227 
_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  ? -8.971  18.422 34.495 1.00 52.40  ?  1   GLY A N   1 
ATOM   2   C  CA  . GLY A 1 1  ? -8.171  17.918 33.394 1.00 63.66  ?  1   GLY A CA  1 
ATOM   3   C  C   . GLY A 1 1  ? -8.420  16.453 33.089 1.00 61.68  ?  1   GLY A C   1 
ATOM   4   O  O   . GLY A 1 1  ? -8.984  15.725 33.907 1.00 61.19  ?  1   GLY A O   1 
ATOM   5   N  N   . ILE A 1 2  ? -7.994  16.024 31.899 1.00 60.30  ?  2   ILE A N   1 
ATOM   6   C  CA  . ILE A 1 2  ? -8.245  14.654 31.462 1.00 61.97  ?  2   ILE A CA  1 
ATOM   7   C  C   . ILE A 1 2  ? -7.479  13.655 32.321 1.00 63.43  ?  2   ILE A C   1 
ATOM   8   O  O   . ILE A 1 2  ? -7.962  12.544 32.575 1.00 61.58  ?  2   ILE A O   1 
ATOM   9   C  CB  . ILE A 1 2  ? -7.906  14.506 29.966 1.00 58.01  ?  2   ILE A CB  1 
ATOM   10  C  CG1 . ILE A 1 2  ? -8.305  13.122 29.456 1.00 54.25  ?  2   ILE A CG1 1 
ATOM   11  C  CG2 . ILE A 1 2  ? -6.429  14.782 29.704 1.00 52.81  ?  2   ILE A CG2 1 
ATOM   12  C  CD1 . ILE A 1 2  ? -8.289  13.016 27.949 1.00 52.39  ?  2   ILE A CD1 1 
ATOM   13  N  N   . VAL A 1 3  ? -6.279  14.024 32.777 1.00 73.40  ?  3   VAL A N   1 
ATOM   14  C  CA  . VAL A 1 3  ? -5.471  13.112 33.578 1.00 70.80  ?  3   VAL A CA  1 
ATOM   15  C  C   . VAL A 1 3  ? -6.123  12.853 34.932 1.00 76.21  ?  3   VAL A C   1 
ATOM   16  O  O   . VAL A 1 3  ? -6.043  11.739 35.463 1.00 88.62  ?  3   VAL A O   1 
ATOM   17  C  CB  . VAL A 1 3  ? -4.036  13.662 33.719 1.00 72.83  ?  3   VAL A CB  1 
ATOM   18  C  CG1 . VAL A 1 3  ? -4.021  14.969 34.509 1.00 73.77  ?  3   VAL A CG1 1 
ATOM   19  C  CG2 . VAL A 1 3  ? -3.118  12.624 34.353 1.00 84.37  ?  3   VAL A CG2 1 
ATOM   20  N  N   . GLU A 1 4  ? -6.791  13.853 35.503 1.00 73.15  ?  4   GLU A N   1 
ATOM   21  C  CA  . GLU A 1 4  ? -7.390  13.733 36.825 1.00 80.83  ?  4   GLU A CA  1 
ATOM   22  C  C   . GLU A 1 4  ? -8.792  13.137 36.801 1.00 81.57  ?  4   GLU A C   1 
ATOM   23  O  O   . GLU A 1 4  ? -9.379  12.936 37.869 1.00 91.69  ?  4   GLU A O   1 
ATOM   24  C  CB  . GLU A 1 4  ? -7.432  15.101 37.513 1.00 79.56  ?  4   GLU A CB  1 
ATOM   25  C  CG  . GLU A 1 4  ? -6.076  15.776 37.641 1.00 76.35  ?  4   GLU A CG  1 
ATOM   26  C  CD  . GLU A 1 4  ? -5.968  17.025 36.791 1.00 61.51  ?  4   GLU A CD  1 
ATOM   27  O  OE1 . GLU A 1 4  ? -7.012  17.492 36.290 1.00 65.99  ?  4   GLU A OE1 1 
ATOM   28  O  OE2 . GLU A 1 4  ? -4.842  17.537 36.625 1.00 55.26  -1 4   GLU A OE2 1 
ATOM   29  N  N   . GLN A 1 5  ? -9.343  12.852 35.623 1.00 71.45  ?  5   GLN A N   1 
ATOM   30  C  CA  . GLN A 1 5  ? -10.697 12.323 35.519 1.00 69.49  ?  5   GLN A CA  1 
ATOM   31  C  C   . GLN A 1 5  ? -10.752 10.956 34.858 1.00 75.12  ?  5   GLN A C   1 
ATOM   32  O  O   . GLN A 1 5  ? -11.455 10.065 35.349 1.00 76.27  ?  5   GLN A O   1 
ATOM   33  C  CB  . GLN A 1 5  ? -11.591 13.313 34.754 1.00 57.04  ?  5   GLN A CB  1 
ATOM   34  C  CG  . GLN A 1 5  ? -11.713 14.671 35.419 1.00 58.36  ?  5   GLN A CG  1 
ATOM   35  C  CD  . GLN A 1 5  ? -12.795 15.529 34.797 1.00 52.10  ?  5   GLN A CD  1 
ATOM   36  O  OE1 . GLN A 1 5  ? -13.435 15.136 33.821 1.00 50.96  ?  5   GLN A OE1 1 
ATOM   37  N  NE2 . GLN A 1 5  ? -13.008 16.711 35.362 1.00 52.80  ?  5   GLN A NE2 1 
ATOM   38  N  N   . CYS A 1 6  ? -10.027 10.756 33.757 1.00 75.64  ?  6   CYS A N   1 
ATOM   39  C  CA  . CYS A 1 6  ? -10.157 9.543  32.962 1.00 66.35  ?  6   CYS A CA  1 
ATOM   40  C  C   . CYS A 1 6  ? -9.111  8.481  33.268 1.00 65.32  ?  6   CYS A C   1 
ATOM   41  O  O   . CYS A 1 6  ? -9.232  7.357  32.769 1.00 62.24  ?  6   CYS A O   1 
ATOM   42  C  CB  . CYS A 1 6  ? -10.106 9.887  31.470 1.00 54.99  ?  6   CYS A CB  1 
ATOM   43  S  SG  . CYS A 1 6  ? -11.689 10.444 30.854 1.00 48.14  ?  6   CYS A SG  1 
ATOM   44  N  N   . CYS A 1 7  ? -8.095  8.792  34.072 1.00 74.35  ?  7   CYS A N   1 
ATOM   45  C  CA  . CYS A 1 7  ? -7.053  7.823  34.372 1.00 88.55  ?  7   CYS A CA  1 
ATOM   46  C  C   . CYS A 1 7  ? -7.041  7.356  35.818 1.00 101.78 ?  7   CYS A C   1 
ATOM   47  O  O   . CYS A 1 7  ? -6.443  6.314  36.105 1.00 106.09 ?  7   CYS A O   1 
ATOM   48  C  CB  . CYS A 1 7  ? -5.676  8.396  34.017 1.00 97.11  ?  7   CYS A CB  1 
ATOM   49  S  SG  . CYS A 1 7  ? -5.218  8.190  32.285 1.00 74.92  ?  7   CYS A SG  1 
ATOM   50  N  N   . THR A 1 8  ? -7.662  8.099  36.731 1.00 116.34 ?  8   THR A N   1 
ATOM   51  C  CA  . THR A 1 8  ? -7.886  7.627  38.090 1.00 108.65 ?  8   THR A CA  1 
ATOM   52  C  C   . THR A 1 8  ? -9.242  6.953  38.249 1.00 92.90  ?  8   THR A C   1 
ATOM   53  O  O   . THR A 1 8  ? -9.497  6.334  39.287 1.00 99.08  ?  8   THR A O   1 
ATOM   54  C  CB  . THR A 1 8  ? -7.759  8.790  39.078 1.00 131.89 ?  8   THR A CB  1 
ATOM   55  O  OG1 . THR A 1 8  ? -8.951  9.584  39.044 1.00 126.33 ?  8   THR A OG1 1 
ATOM   56  C  CG2 . THR A 1 8  ? -6.568  9.663  38.699 1.00 164.94 ?  8   THR A CG2 1 
ATOM   57  N  N   . SER A 1 9  ? -10.106 7.064  37.242 1.00 88.51  ?  9   SER A N   1 
ATOM   58  C  CA  . SER A 1 9  ? -11.347 6.312  37.150 1.00 86.89  ?  9   SER A CA  1 
ATOM   59  C  C   . SER A 1 9  ? -11.551 5.940  35.691 1.00 82.92  ?  9   SER A C   1 
ATOM   60  O  O   . SER A 1 9  ? -11.262 6.741  34.797 1.00 73.75  ?  9   SER A O   1 
ATOM   61  C  CB  . SER A 1 9  ? -12.550 7.116  37.662 1.00 79.62  ?  9   SER A CB  1 
ATOM   62  O  OG  . SER A 1 9  ? -12.933 8.117  36.733 1.00 75.37  ?  9   SER A OG  1 
ATOM   63  N  N   . ILE A 1 10 ? -12.037 4.720  35.452 1.00 85.33  ?  10  ILE A N   1 
ATOM   64  C  CA  . ILE A 1 10 ? -12.215 4.253  34.083 1.00 75.35  ?  10  ILE A CA  1 
ATOM   65  C  C   . ILE A 1 10 ? -13.247 5.123  33.381 1.00 74.32  ?  10  ILE A C   1 
ATOM   66  O  O   . ILE A 1 10 ? -14.376 5.285  33.859 1.00 74.75  ?  10  ILE A O   1 
ATOM   67  C  CB  . ILE A 1 10 ? -12.629 2.776  34.066 1.00 77.89  ?  10  ILE A CB  1 
ATOM   68  C  CG1 . ILE A 1 10 ? -11.591 1.917  34.788 1.00 85.19  ?  10  ILE A CG1 1 
ATOM   69  C  CG2 . ILE A 1 10 ? -12.809 2.296  32.636 1.00 74.54  ?  10  ILE A CG2 1 
ATOM   70  C  CD1 . ILE A 1 10 ? -11.935 0.443  34.809 1.00 83.35  ?  10  ILE A CD1 1 
ATOM   71  N  N   . CYS A 1 11 ? -12.861 5.685  32.239 1.00 72.89  ?  11  CYS A N   1 
ATOM   72  C  CA  . CYS A 1 11 ? -13.736 6.540  31.448 1.00 70.47  ?  11  CYS A CA  1 
ATOM   73  C  C   . CYS A 1 11 ? -14.387 5.728  30.338 1.00 69.71  ?  11  CYS A C   1 
ATOM   74  O  O   . CYS A 1 11 ? -13.701 5.017  29.597 1.00 69.18  ?  11  CYS A O   1 
ATOM   75  C  CB  . CYS A 1 11 ? -12.960 7.712  30.846 1.00 70.00  ?  11  CYS A CB  1 
ATOM   76  S  SG  . CYS A 1 11 ? -12.969 9.218  31.838 1.00 70.94  ?  11  CYS A SG  1 
ATOM   77  N  N   . SER A 1 12 ? -15.707 5.833  30.229 1.00 69.89  ?  12  SER A N   1 
ATOM   78  C  CA  . SER A 1 12 ? -16.406 5.256  29.094 1.00 71.52  ?  12  SER A CA  1 
ATOM   79  C  C   . SER A 1 12 ? -16.142 6.090  27.845 1.00 71.46  ?  12  SER A C   1 
ATOM   80  O  O   . SER A 1 12 ? -15.668 7.226  27.917 1.00 68.41  ?  12  SER A O   1 
ATOM   81  C  CB  . SER A 1 12 ? -17.907 5.173  29.375 1.00 71.31  ?  12  SER A CB  1 
ATOM   82  O  OG  . SER A 1 12 ? -18.614 4.580  28.300 1.00 70.74  ?  12  SER A OG  1 
ATOM   83  N  N   . LEU A 1 13 ? -16.455 5.502  26.688 1.00 78.50  ?  13  LEU A N   1 
ATOM   84  C  CA  . LEU A 1 13 ? -16.168 6.142  25.405 1.00 78.13  ?  13  LEU A CA  1 
ATOM   85  C  C   . LEU A 1 13 ? -16.716 7.560  25.346 1.00 79.25  ?  13  LEU A C   1 
ATOM   86  O  O   . LEU A 1 13 ? -16.069 8.463  24.802 1.00 78.42  ?  13  LEU A O   1 
ATOM   87  C  CB  . LEU A 1 13 ? -16.743 5.305  24.260 1.00 80.32  ?  13  LEU A CB  1 
ATOM   88  C  CG  . LEU A 1 13 ? -15.853 4.164  23.765 1.00 75.16  ?  13  LEU A CG  1 
ATOM   89  C  CD1 . LEU A 1 13 ? -14.458 4.676  23.406 1.00 74.64  ?  13  LEU A CD1 1 
ATOM   90  C  CD2 . LEU A 1 13 ? -15.787 3.055  24.799 1.00 74.98  ?  13  LEU A CD2 1 
ATOM   91  N  N   . TYR A 1 14 ? -17.911 7.772  25.897 1.00 70.93  ?  14  TYR A N   1 
ATOM   92  C  CA  . TYR A 1 14 ? -18.489 9.108  25.903 1.00 69.42  ?  14  TYR A CA  1 
ATOM   93  C  C   . TYR A 1 14 ? -17.664 10.070 26.750 1.00 79.23  ?  14  TYR A C   1 
ATOM   94  O  O   . TYR A 1 14 ? -17.515 11.245 26.397 1.00 84.07  ?  14  TYR A O   1 
ATOM   95  C  CB  . TYR A 1 14 ? -19.930 9.060  26.400 1.00 67.21  ?  14  TYR A CB  1 
ATOM   96  C  CG  . TYR A 1 14 ? -20.566 10.419 26.413 0.00 67.78  ?  14  TYR A CG  1 
ATOM   97  C  CD1 . TYR A 1 14 ? -20.672 11.144 27.589 0.00 68.40  ?  14  TYR A CD1 1 
ATOM   98  C  CD2 . TYR A 1 14 ? -21.035 10.994 25.240 0.00 67.40  ?  14  TYR A CD2 1 
ATOM   99  C  CE1 . TYR A 1 14 ? -21.243 12.398 27.602 0.00 68.93  ?  14  TYR A CE1 1 
ATOM   100 C  CE2 . TYR A 1 14 ? -21.604 12.249 25.241 0.00 68.18  ?  14  TYR A CE2 1 
ATOM   101 C  CZ  . TYR A 1 14 ? -21.706 12.946 26.424 0.00 67.71  ?  14  TYR A CZ  1 
ATOM   102 O  OH  . TYR A 1 14 ? -22.278 14.195 26.425 0.00 67.42  ?  14  TYR A OH  1 
ATOM   103 N  N   . GLN A 1 15 ? -17.131 9.594  27.878 1.00 74.55  ?  15  GLN A N   1 
ATOM   104 C  CA  . GLN A 1 15 ? -16.267 10.443 28.689 1.00 71.15  ?  15  GLN A CA  1 
ATOM   105 C  C   . GLN A 1 15 ? -15.008 10.849 27.933 1.00 73.72  ?  15  GLN A C   1 
ATOM   106 O  O   . GLN A 1 15 ? -14.415 11.889 28.243 1.00 80.08  ?  15  GLN A O   1 
ATOM   107 C  CB  . GLN A 1 15 ? -15.910 9.732  29.995 1.00 65.20  ?  15  GLN A CB  1 
ATOM   108 C  CG  . GLN A 1 15 ? -17.051 9.687  30.999 1.00 63.08  ?  15  GLN A CG  1 
ATOM   109 C  CD  . GLN A 1 15 ? -16.616 10.115 32.387 1.00 70.75  ?  15  GLN A CD  1 
ATOM   110 O  OE1 . GLN A 1 15 ? -16.243 9.286  33.217 1.00 67.34  ?  15  GLN A OE1 1 
ATOM   111 N  NE2 . GLN A 1 15 ? -16.657 11.418 32.645 1.00 73.52  ?  15  GLN A NE2 1 
ATOM   112 N  N   . LEU A 1 16 ? -14.588 10.049 26.951 1.00 74.60  ?  16  LEU A N   1 
ATOM   113 C  CA  . LEU A 1 16 ? -13.522 10.448 26.045 1.00 70.99  ?  16  LEU A CA  1 
ATOM   114 C  C   . LEU A 1 16 ? -13.983 11.474 25.020 1.00 73.68  ?  16  LEU A C   1 
ATOM   115 O  O   . LEU A 1 16 ? -13.149 12.207 24.479 1.00 78.46  ?  16  LEU A O   1 
ATOM   116 C  CB  . LEU A 1 16 ? -12.953 9.225  25.318 1.00 64.72  ?  16  LEU A CB  1 
ATOM   117 C  CG  . LEU A 1 16 ? -12.006 8.313  26.101 1.00 59.38  ?  16  LEU A CG  1 
ATOM   118 C  CD1 . LEU A 1 16 ? -11.096 9.136  27.000 1.00 55.73  ?  16  LEU A CD1 1 
ATOM   119 C  CD2 . LEU A 1 16 ? -12.760 7.264  26.897 1.00 62.56  ?  16  LEU A CD2 1 
ATOM   120 N  N   . GLU A 1 17 ? -15.286 11.527 24.727 1.00 75.07  ?  17  GLU A N   1 
ATOM   121 C  CA  . GLU A 1 17 ? -15.786 12.460 23.722 1.00 86.52  ?  17  GLU A CA  1 
ATOM   122 C  C   . GLU A 1 17 ? -15.618 13.909 24.155 1.00 100.07 ?  17  GLU A C   1 
ATOM   123 O  O   . GLU A 1 17 ? -15.526 14.801 23.304 1.00 100.87 ?  17  GLU A O   1 
ATOM   124 C  CB  . GLU A 1 17 ? -17.260 12.181 23.423 1.00 81.39  ?  17  GLU A CB  1 
ATOM   125 C  CG  . GLU A 1 17 ? -17.548 10.822 22.822 1.00 80.16  ?  17  GLU A CG  1 
ATOM   126 C  CD  . GLU A 1 17 ? -18.237 10.920 21.477 1.00 89.10  ?  17  GLU A CD  1 
ATOM   127 O  OE1 . GLU A 1 17 ? -18.312 12.038 20.927 1.00 87.96  ?  17  GLU A OE1 1 
ATOM   128 O  OE2 . GLU A 1 17 ? -18.706 9.880  20.971 1.00 85.85  -1 17  GLU A OE2 1 
ATOM   129 N  N   . ASN A 1 18 ? -15.579 14.164 25.465 1.00 94.86  ?  18  ASN A N   1 
ATOM   130 C  CA  . ASN A 1 18 ? -15.587 15.535 25.965 1.00 94.69  ?  18  ASN A CA  1 
ATOM   131 C  C   . ASN A 1 18 ? -14.339 16.313 25.574 1.00 94.94  ?  18  ASN A C   1 
ATOM   132 O  O   . ASN A 1 18 ? -14.376 17.548 25.552 1.00 100.33 ?  18  ASN A O   1 
ATOM   133 C  CB  . ASN A 1 18 ? -15.740 15.531 27.486 1.00 96.12  ?  18  ASN A CB  1 
ATOM   134 C  CG  . ASN A 1 18 ? -17.042 14.897 27.936 1.00 96.29  ?  18  ASN A CG  1 
ATOM   135 O  OD1 . ASN A 1 18 ? -18.042 14.935 27.220 1.00 94.34  ?  18  ASN A OD1 1 
ATOM   136 N  ND2 . ASN A 1 18 ? -17.035 14.307 29.127 1.00 101.64 ?  18  ASN A ND2 1 
ATOM   137 N  N   . TYR A 1 19 ? -13.244 15.628 25.254 1.00 91.38  ?  19  TYR A N   1 
ATOM   138 C  CA  . TYR A 1 19 ? -11.984 16.279 24.929 1.00 89.28  ?  19  TYR A CA  1 
ATOM   139 C  C   . TYR A 1 19 ? -11.751 16.380 23.427 1.00 77.44  ?  19  TYR A C   1 
ATOM   140 O  O   . TYR A 1 19 ? -10.624 16.642 22.994 1.00 84.56  ?  19  TYR A O   1 
ATOM   141 C  CB  . TYR A 1 19 ? -10.829 15.544 25.609 1.00 82.86  ?  19  TYR A CB  1 
ATOM   142 C  CG  . TYR A 1 19 ? -11.022 15.402 27.102 1.00 69.58  ?  19  TYR A CG  1 
ATOM   143 C  CD1 . TYR A 1 19 ? -11.603 14.261 27.643 1.00 77.11  ?  19  TYR A CD1 1 
ATOM   144 C  CD2 . TYR A 1 19 ? -10.641 16.417 27.971 1.00 59.38  ?  19  TYR A CD2 1 
ATOM   145 C  CE1 . TYR A 1 19 ? -11.788 14.131 29.008 1.00 68.82  ?  19  TYR A CE1 1 
ATOM   146 C  CE2 . TYR A 1 19 ? -10.824 16.296 29.336 1.00 53.89  ?  19  TYR A CE2 1 
ATOM   147 C  CZ  . TYR A 1 19 ? -11.396 15.150 29.850 1.00 60.81  ?  19  TYR A CZ  1 
ATOM   148 O  OH  . TYR A 1 19 ? -11.580 15.023 31.209 1.00 67.90  ?  19  TYR A OH  1 
ATOM   149 N  N   . CYS A 1 20 ? -12.791 16.170 22.626 1.00 75.59  ?  20  CYS A N   1 
ATOM   150 C  CA  . CYS A 1 20 ? -12.686 16.286 21.181 1.00 66.97  ?  20  CYS A CA  1 
ATOM   151 C  C   . CYS A 1 20 ? -12.877 17.731 20.742 1.00 63.24  ?  20  CYS A C   1 
ATOM   152 O  O   . CYS A 1 20 ? -13.655 18.483 21.332 1.00 66.47  ?  20  CYS A O   1 
ATOM   153 C  CB  . CYS A 1 20 ? -13.719 15.399 20.489 1.00 60.48  ?  20  CYS A CB  1 
ATOM   154 S  SG  . CYS A 1 20 ? -13.420 13.640 20.687 1.00 51.49  ?  20  CYS A SG  1 
ATOM   155 N  N   . ASN A 1 21 ? -12.156 18.109 19.692 1.00 59.53  ?  21  ASN A N   1 
ATOM   156 C  CA  . ASN A 1 21 ? -12.283 19.440 19.112 1.00 57.82  ?  21  ASN A CA  1 
ATOM   157 C  C   . ASN A 1 21 ? -13.618 19.576 18.389 1.00 52.06  ?  21  ASN A C   1 
ATOM   158 O  O   . ASN A 1 21 ? -14.106 20.680 18.145 1.00 57.40  ?  21  ASN A O   1 
ATOM   159 C  CB  . ASN A 1 21 ? -11.129 19.724 18.150 1.00 58.24  ?  21  ASN A CB  1 
ATOM   160 C  CG  . ASN A 1 21 ? -9.778  19.699 18.836 1.00 65.78  ?  21  ASN A CG  1 
ATOM   161 O  OD1 . ASN A 1 21 ? -9.665  19.306 19.998 1.00 70.65  ?  21  ASN A OD1 1 
ATOM   162 N  ND2 . ASN A 1 21 ? -8.742  20.115 18.116 1.00 64.41  ?  21  ASN A ND2 1 
ATOM   163 O  OXT . ASN A 1 21 ? -14.244 18.577 18.035 1.00 51.78  -1 21  ASN A OXT 1 
ATOM   164 N  N   . PHE B 2 1  ? 5.248   9.797  38.082 1.00 64.13  ?  1   PHE B N   1 
ATOM   165 C  CA  . PHE B 2 1  ? 4.636   8.475  38.150 1.00 70.16  ?  1   PHE B CA  1 
ATOM   166 C  C   . PHE B 2 1  ? 4.512   7.868  36.754 1.00 73.57  ?  1   PHE B C   1 
ATOM   167 O  O   . PHE B 2 1  ? 3.788   8.389  35.904 1.00 71.03  ?  1   PHE B O   1 
ATOM   168 C  CB  . PHE B 2 1  ? 3.263   8.555  38.822 1.00 70.03  ?  1   PHE B CB  1 
ATOM   169 C  CG  . PHE B 2 1  ? 2.870   7.303  39.556 1.00 74.70  ?  1   PHE B CG  1 
ATOM   170 C  CD1 . PHE B 2 1  ? 3.517   6.103  39.310 1.00 73.89  ?  1   PHE B CD1 1 
ATOM   171 C  CD2 . PHE B 2 1  ? 1.856   7.327  40.497 1.00 72.43  ?  1   PHE B CD2 1 
ATOM   172 C  CE1 . PHE B 2 1  ? 3.155   4.953  39.987 1.00 81.57  ?  1   PHE B CE1 1 
ATOM   173 C  CE2 . PHE B 2 1  ? 1.489   6.181  41.176 1.00 71.63  ?  1   PHE B CE2 1 
ATOM   174 C  CZ  . PHE B 2 1  ? 2.140   4.992  40.921 1.00 75.44  ?  1   PHE B CZ  1 
ATOM   175 N  N   . VAL B 2 2  ? 5.220   6.758  36.526 1.00 73.47  ?  2   VAL B N   1 
ATOM   176 C  CA  . VAL B 2 2  ? 5.227   6.142  35.202 1.00 78.76  ?  2   VAL B CA  1 
ATOM   177 C  C   . VAL B 2 2  ? 3.847   5.612  34.839 1.00 73.83  ?  2   VAL B C   1 
ATOM   178 O  O   . VAL B 2 2  ? 3.455   5.640  33.666 1.00 70.30  ?  2   VAL B O   1 
ATOM   179 C  CB  . VAL B 2 2  ? 6.287   5.029  35.123 1.00 84.82  ?  2   VAL B CB  1 
ATOM   180 C  CG1 . VAL B 2 2  ? 6.491   4.591  33.675 1.00 81.87  ?  2   VAL B CG1 1 
ATOM   181 C  CG2 . VAL B 2 2  ? 7.597   5.492  35.736 1.00 81.26  ?  2   VAL B CG2 1 
ATOM   182 N  N   . ASN B 2 3  ? 3.094   5.113  35.824 1.00 79.40  ?  3   ASN B N   1 
ATOM   183 C  CA  . ASN B 2 3  ? 1.747   4.624  35.546 1.00 82.75  ?  3   ASN B CA  1 
ATOM   184 C  C   . ASN B 2 3  ? 0.883   5.711  34.924 1.00 78.41  ?  3   ASN B C   1 
ATOM   185 O  O   . ASN B 2 3  ? 0.056   5.423  34.052 1.00 72.75  ?  3   ASN B O   1 
ATOM   186 C  CB  . ASN B 2 3  ? 1.101   4.098  36.829 1.00 86.70  ?  3   ASN B CB  1 
ATOM   187 C  CG  . ASN B 2 3  ? 0.043   3.041  36.562 1.00 95.49  ?  3   ASN B CG  1 
ATOM   188 O  OD1 . ASN B 2 3  ? -0.511  2.961  35.466 1.00 85.60  ?  3   ASN B OD1 1 
ATOM   189 N  ND2 . ASN B 2 3  ? -0.238  2.220  37.567 1.00 95.24  ?  3   ASN B ND2 1 
ATOM   190 N  N   . GLN B 2 4  ? 1.078   6.965  35.344 1.00 78.95  ?  4   GLN B N   1 
ATOM   191 C  CA  . GLN B 2 4  ? 0.370   8.078  34.721 1.00 77.22  ?  4   GLN B CA  1 
ATOM   192 C  C   . GLN B 2 4  ? 0.722   8.199  33.245 1.00 68.06  ?  4   GLN B C   1 
ATOM   193 O  O   . GLN B 2 4  ? -0.152  8.450  32.408 1.00 64.19  ?  4   GLN B O   1 
ATOM   194 C  CB  . GLN B 2 4  ? 0.692   9.384  35.448 1.00 85.84  ?  4   GLN B CB  1 
ATOM   195 C  CG  . GLN B 2 4  ? 0.186   10.619 34.716 1.00 84.96  ?  4   GLN B CG  1 
ATOM   196 C  CD  . GLN B 2 4  ? 1.047   11.847 34.946 1.00 74.43  ?  4   GLN B CD  1 
ATOM   197 O  OE1 . GLN B 2 4  ? 2.050   11.797 35.658 1.00 69.00  ?  4   GLN B OE1 1 
ATOM   198 N  NE2 . GLN B 2 4  ? 0.657   12.961 34.337 1.00 73.08  ?  4   GLN B NE2 1 
ATOM   199 N  N   . HIS B 2 5  ? 2.004   8.033  32.911 1.00 69.76  ?  5   HIS B N   1 
ATOM   200 C  CA  . HIS B 2 5  ? 2.430   8.114  31.518 1.00 57.06  ?  5   HIS B CA  1 
ATOM   201 C  C   . HIS B 2 5  ? 1.809   6.998  30.685 1.00 51.59  ?  5   HIS B C   1 
ATOM   202 O  O   . HIS B 2 5  ? 1.438   7.212  29.525 1.00 42.96  ?  5   HIS B O   1 
ATOM   203 C  CB  . HIS B 2 5  ? 3.957   8.067  31.443 1.00 58.17  ?  5   HIS B CB  1 
ATOM   204 C  CG  . HIS B 2 5  ? 4.504   8.267  30.064 1.00 48.10  ?  5   HIS B CG  1 
ATOM   205 N  ND1 . HIS B 2 5  ? 4.672   7.230  29.173 1.00 46.54  ?  5   HIS B ND1 1 
ATOM   206 C  CD2 . HIS B 2 5  ? 4.927   9.384  29.426 1.00 35.75  ?  5   HIS B CD2 1 
ATOM   207 C  CE1 . HIS B 2 5  ? 5.173   7.699  28.044 1.00 47.47  ?  5   HIS B CE1 1 
ATOM   208 N  NE2 . HIS B 2 5  ? 5.337   9.004  28.172 1.00 45.35  ?  5   HIS B NE2 1 
ATOM   209 N  N   . LEU B 2 6  ? 1.691   5.798  31.261 1.00 53.71  ?  6   LEU B N   1 
ATOM   210 C  CA  . LEU B 2 6  ? 1.135   4.666  30.525 1.00 52.40  ?  6   LEU B CA  1 
ATOM   211 C  C   . LEU B 2 6  ? -0.333  4.894  30.179 1.00 46.02  ?  6   LEU B C   1 
ATOM   212 O  O   . LEU B 2 6  ? -0.746  4.702  29.030 1.00 45.54  ?  6   LEU B O   1 
ATOM   213 C  CB  . LEU B 2 6  ? 1.305   3.378  31.335 1.00 49.02  ?  6   LEU B CB  1 
ATOM   214 C  CG  . LEU B 2 6  ? 2.700   3.054  31.875 1.00 56.80  ?  6   LEU B CG  1 
ATOM   215 C  CD1 . LEU B 2 6  ? 2.736   1.648  32.455 1.00 60.25  ?  6   LEU B CD1 1 
ATOM   216 C  CD2 . LEU B 2 6  ? 3.762   3.224  30.797 1.00 54.48  ?  6   LEU B CD2 1 
ATOM   217 N  N   . CYS B 2 7  ? -1.140  5.308  31.162 1.00 67.74  ?  7   CYS B N   1 
ATOM   218 C  CA  . CYS B 2 7  ? -2.554  5.567  30.902 1.00 55.06  ?  7   CYS B CA  1 
ATOM   219 C  C   . CYS B 2 7  ? -2.734  6.740  29.947 1.00 54.43  ?  7   CYS B C   1 
ATOM   220 O  O   . CYS B 2 7  ? -3.647  6.732  29.113 1.00 46.70  ?  7   CYS B O   1 
ATOM   221 C  CB  . CYS B 2 7  ? -3.296  5.821  32.215 1.00 62.35  ?  7   CYS B CB  1 
ATOM   222 S  SG  . CYS B 2 7  ? -5.064  6.179  32.037 1.00 83.90  ?  7   CYS B SG  1 
ATOM   223 N  N   . GLY B 2 8  ? -1.884  7.762  30.061 1.00 45.02  ?  8   GLY B N   1 
ATOM   224 C  CA  . GLY B 2 8  ? -1.945  8.863  29.114 1.00 39.68  ?  8   GLY B CA  1 
ATOM   225 C  C   . GLY B 2 8  ? -1.704  8.408  27.688 1.00 37.27  ?  8   GLY B C   1 
ATOM   226 O  O   . GLY B 2 8  ? -2.329  8.910  26.749 1.00 39.65  ?  8   GLY B O   1 
ATOM   227 N  N   . SER B 2 9  ? -0.796  7.446  27.507 1.00 37.62  ?  9   SER B N   1 
ATOM   228 C  CA  . SER B 2 9  ? -0.571  6.869  26.188 1.00 43.33  ?  9   SER B CA  1 
ATOM   229 C  C   . SER B 2 9  ? -1.758  6.040  25.712 1.00 51.83  ?  9   SER B C   1 
ATOM   230 O  O   . SER B 2 9  ? -1.894  5.812  24.506 1.00 53.56  ?  9   SER B O   1 
ATOM   231 C  CB  . SER B 2 9  ? 0.698   6.018  26.200 1.00 49.49  ?  9   SER B CB  1 
ATOM   232 O  OG  . SER B 2 9  ? 0.673   5.086  27.265 1.00 55.17  ?  9   SER B OG  1 
ATOM   233 N  N   . HIS B 2 10 ? -2.604  5.570  26.627 1.00 39.07  ?  10  HIS B N   1 
ATOM   234 C  CA  . HIS B 2 10 ? -3.868  4.950  26.254 1.00 46.53  ?  10  HIS B CA  1 
ATOM   235 C  C   . HIS B 2 10 ? -4.971  5.976  26.052 1.00 49.79  ?  10  HIS B C   1 
ATOM   236 O  O   . HIS B 2 10 ? -5.926  5.717  25.311 1.00 52.30  ?  10  HIS B O   1 
ATOM   237 C  CB  . HIS B 2 10 ? -4.304  3.945  27.324 1.00 52.01  ?  10  HIS B CB  1 
ATOM   238 C  CG  . HIS B 2 10 ? -3.558  2.648  27.280 1.00 50.67  ?  10  HIS B CG  1 
ATOM   239 N  ND1 . HIS B 2 10 ? -4.061  1.523  26.661 1.00 51.33  ?  10  HIS B ND1 1 
ATOM   240 C  CD2 . HIS B 2 10 ? -2.348  2.296  27.774 1.00 53.64  ?  10  HIS B CD2 1 
ATOM   241 C  CE1 . HIS B 2 10 ? -3.194  0.534  26.779 1.00 50.97  ?  10  HIS B CE1 1 
ATOM   242 N  NE2 . HIS B 2 10 ? -2.146  0.976  27.451 1.00 55.48  ?  10  HIS B NE2 1 
ATOM   243 N  N   . LEU B 2 11 ? -4.863  7.128  26.714 1.00 51.82  ?  11  LEU B N   1 
ATOM   244 C  CA  . LEU B 2 11 ? -5.872  8.170  26.566 1.00 45.95  ?  11  LEU B CA  1 
ATOM   245 C  C   . LEU B 2 11 ? -5.786  8.838  25.200 1.00 48.28  ?  11  LEU B C   1 
ATOM   246 O  O   . LEU B 2 11 ? -6.815  9.198  24.617 1.00 47.25  ?  11  LEU B O   1 
ATOM   247 C  CB  . LEU B 2 11 ? -5.727  9.199  27.688 1.00 49.50  ?  11  LEU B CB  1 
ATOM   248 C  CG  . LEU B 2 11 ? -6.633  9.009  28.910 1.00 48.44  ?  11  LEU B CG  1 
ATOM   249 C  CD1 . LEU B 2 11 ? -8.001  9.576  28.637 1.00 48.07  ?  11  LEU B CD1 1 
ATOM   250 C  CD2 . LEU B 2 11 ? -6.762  7.544  29.266 1.00 48.21  ?  11  LEU B CD2 1 
ATOM   251 N  N   . VAL B 2 12 ? -4.571  9.014  24.675 1.00 52.60  ?  12  VAL B N   1 
ATOM   252 C  CA  . VAL B 2 12 ? -4.407  9.666  23.378 1.00 54.29  ?  12  VAL B CA  1 
ATOM   253 C  C   . VAL B 2 12 ? -5.024  8.820  22.269 1.00 49.09  ?  12  VAL B C   1 
ATOM   254 O  O   . VAL B 2 12 ? -5.680  9.345  21.360 1.00 50.63  ?  12  VAL B O   1 
ATOM   255 C  CB  . VAL B 2 12 ? -2.919  9.970  23.117 1.00 53.07  ?  12  VAL B CB  1 
ATOM   256 C  CG1 A VAL B 2 12 ? -2.435  11.068 24.051 0.84 48.31  ?  12  VAL B CG1 1 
ATOM   257 C  CG1 B VAL B 2 12 ? -2.727  10.554 21.726 0.16 52.37  ?  12  VAL B CG1 1 
ATOM   258 C  CG2 A VAL B 2 12 ? -2.071  8.722  23.285 0.84 49.80  ?  12  VAL B CG2 1 
ATOM   259 C  CG2 B VAL B 2 12 ? -2.381  10.917 24.176 0.16 46.80  ?  12  VAL B CG2 1 
ATOM   260 N  N   . GLU B 2 13 ? -4.829  7.499  22.322 1.00 45.08  ?  13  GLU B N   1 
ATOM   261 C  CA  . GLU B 2 13 ? -5.434  6.634  21.315 1.00 50.01  ?  13  GLU B CA  1 
ATOM   262 C  C   . GLU B 2 13 ? -6.945  6.554  21.487 1.00 52.59  ?  13  GLU B C   1 
ATOM   263 O  O   . GLU B 2 13 ? -7.671  6.388  20.499 1.00 53.66  ?  13  GLU B O   1 
ATOM   264 C  CB  . GLU B 2 13 ? -4.809  5.236  21.363 1.00 46.42  ?  13  GLU B CB  1 
ATOM   265 C  CG  . GLU B 2 13 ? -5.295  4.353  22.502 1.00 57.36  ?  13  GLU B CG  1 
ATOM   266 C  CD  . GLU B 2 13 ? -4.685  2.967  22.468 0.00 56.22  ?  13  GLU B CD  1 
ATOM   267 O  OE1 . GLU B 2 13 ? -3.703  2.766  21.723 1.00 72.83  ?  13  GLU B OE1 1 
ATOM   268 O  OE2 . GLU B 2 13 ? -5.190  2.077  23.185 0.00 57.87  -1 13  GLU B OE2 1 
ATOM   269 N  N   . ALA B 2 14 ? -7.437  6.662  22.724 1.00 50.93  ?  14  ALA B N   1 
ATOM   270 C  CA  . ALA B 2 14 ? -8.878  6.713  22.943 1.00 51.01  ?  14  ALA B CA  1 
ATOM   271 C  C   . ALA B 2 14 ? -9.476  7.987  22.360 1.00 48.94  ?  14  ALA B C   1 
ATOM   272 O  O   . ALA B 2 14 ? -10.538 7.949  21.730 1.00 48.35  ?  14  ALA B O   1 
ATOM   273 C  CB  . ALA B 2 14 ? -9.186  6.600  24.435 1.00 54.49  ?  14  ALA B CB  1 
ATOM   274 N  N   . LEU B 2 15 ? -8.807  9.126  22.559 1.00 46.58  ?  15  LEU B N   1 
ATOM   275 C  CA  . LEU B 2 15 ? -9.273  10.367 21.951 1.00 43.84  ?  15  LEU B CA  1 
ATOM   276 C  C   . LEU B 2 15 ? -9.184  10.305 20.432 1.00 42.08  ?  15  LEU B C   1 
ATOM   277 O  O   . LEU B 2 15 ? -10.088 10.775 19.733 1.00 51.19  ?  15  LEU B O   1 
ATOM   278 C  CB  . LEU B 2 15 ? -8.474  11.556 22.487 1.00 40.24  ?  15  LEU B CB  1 
ATOM   279 C  CG  . LEU B 2 15 ? -8.564  11.850 23.985 1.00 48.91  ?  15  LEU B CG  1 
ATOM   280 C  CD1 . LEU B 2 15 ? -8.065  13.256 24.280 1.00 74.43  ?  15  LEU B CD1 1 
ATOM   281 C  CD2 . LEU B 2 15 ? -9.984  11.666 24.491 1.00 59.82  ?  15  LEU B CD2 1 
ATOM   282 N  N   . TYR B 2 16 ? -8.104  9.724  19.903 1.00 44.81  ?  16  TYR B N   1 
ATOM   283 C  CA  . TYR B 2 16 ? -7.926  9.662  18.455 1.00 39.49  ?  16  TYR B CA  1 
ATOM   284 C  C   . TYR B 2 16 ? -9.064  8.898  17.789 1.00 39.86  ?  16  TYR B C   1 
ATOM   285 O  O   . TYR B 2 16 ? -9.626  9.348  16.783 1.00 41.58  ?  16  TYR B O   1 
ATOM   286 C  CB  . TYR B 2 16 ? -6.579  9.021  18.118 1.00 40.14  ?  16  TYR B CB  1 
ATOM   287 C  CG  . TYR B 2 16 ? -6.383  8.775  16.638 1.00 41.75  ?  16  TYR B CG  1 
ATOM   288 C  CD1 . TYR B 2 16 ? -6.155  9.829  15.765 1.00 43.86  ?  16  TYR B CD1 1 
ATOM   289 C  CD2 . TYR B 2 16 ? -6.432  7.489  16.113 1.00 37.02  ?  16  TYR B CD2 1 
ATOM   290 C  CE1 . TYR B 2 16 ? -5.979  9.611  14.411 1.00 42.32  ?  16  TYR B CE1 1 
ATOM   291 C  CE2 . TYR B 2 16 ? -6.258  7.262  14.761 1.00 31.09  ?  16  TYR B CE2 1 
ATOM   292 C  CZ  . TYR B 2 16 ? -6.031  8.327  13.914 1.00 39.12  ?  16  TYR B CZ  1 
ATOM   293 O  OH  . TYR B 2 16 ? -5.855  8.106  12.566 1.00 39.55  ?  16  TYR B OH  1 
ATOM   294 N  N   . LEU B 2 17 ? -9.416  7.732  18.336 1.00 42.43  ?  17  LEU B N   1 
ATOM   295 C  CA  . LEU B 2 17 ? -10.501 6.942  17.764 1.00 39.47  ?  17  LEU B CA  1 
ATOM   296 C  C   . LEU B 2 17 ? -11.849 7.634  17.941 1.00 42.51  ?  17  LEU B C   1 
ATOM   297 O  O   . LEU B 2 17 ? -12.694 7.598  17.039 1.00 43.74  ?  17  LEU B O   1 
ATOM   298 C  CB  . LEU B 2 17 ? -10.524 5.553  18.398 1.00 40.45  ?  17  LEU B CB  1 
ATOM   299 C  CG  . LEU B 2 17 ? -11.317 4.484  17.647 1.00 44.80  ?  17  LEU B CG  1 
ATOM   300 C  CD1 . LEU B 2 17 ? -10.730 4.247  16.260 1.00 50.70  ?  17  LEU B CD1 1 
ATOM   301 C  CD2 . LEU B 2 17 ? -11.360 3.193  18.447 1.00 43.72  ?  17  LEU B CD2 1 
ATOM   302 N  N   . VAL B 2 18 ? -12.070 8.254  19.101 1.00 43.42  ?  18  VAL B N   1 
ATOM   303 C  CA  . VAL B 2 18 ? -13.361 8.875  19.386 1.00 41.66  ?  18  VAL B CA  1 
ATOM   304 C  C   . VAL B 2 18 ? -13.572 10.111 18.518 1.00 53.69  ?  18  VAL B C   1 
ATOM   305 O  O   . VAL B 2 18 ? -14.632 10.285 17.904 1.00 60.51  ?  18  VAL B O   1 
ATOM   306 C  CB  . VAL B 2 18 ? -13.465 9.216  20.883 1.00 45.26  ?  18  VAL B CB  1 
ATOM   307 C  CG1 . VAL B 2 18 ? -14.535 10.263 21.113 1.00 46.75  ?  18  VAL B CG1 1 
ATOM   308 C  CG2 . VAL B 2 18 ? -13.759 7.964  21.692 1.00 50.54  ?  18  VAL B CG2 1 
ATOM   309 N  N   . CYS B 2 19 ? -12.568 10.986 18.451 1.00 47.07  ?  19  CYS B N   1 
ATOM   310 C  CA  . CYS B 2 19 ? -12.762 12.279 17.801 1.00 52.87  ?  19  CYS B CA  1 
ATOM   311 C  C   . CYS B 2 19 ? -12.780 12.150 16.282 1.00 52.42  ?  19  CYS B C   1 
ATOM   312 O  O   . CYS B 2 19 ? -13.698 12.649 15.621 1.00 51.87  ?  19  CYS B O   1 
ATOM   313 C  CB  . CYS B 2 19 ? -11.672 13.257 18.245 1.00 58.59  ?  19  CYS B CB  1 
ATOM   314 S  SG  . CYS B 2 19 ? -11.512 13.415 20.036 1.00 40.25  ?  19  CYS B SG  1 
ATOM   315 N  N   . GLY B 2 20 ? -11.779 11.484 15.713 1.00 61.53  ?  20  GLY B N   1 
ATOM   316 C  CA  . GLY B 2 20 ? -11.698 11.336 14.273 1.00 61.54  ?  20  GLY B CA  1 
ATOM   317 C  C   . GLY B 2 20 ? -11.358 12.627 13.558 1.00 64.67  ?  20  GLY B C   1 
ATOM   318 O  O   . GLY B 2 20 ? -10.298 13.215 13.794 1.00 59.06  ?  20  GLY B O   1 
ATOM   319 N  N   . GLU B 2 21 ? -12.257 13.081 12.681 1.00 70.36  ?  21  GLU B N   1 
ATOM   320 C  CA  . GLU B 2 21 ? -11.995 14.288 11.905 0.00 63.59  ?  21  GLU B CA  1 
ATOM   321 C  C   . GLU B 2 21 ? -11.986 15.537 12.777 1.00 62.60  ?  21  GLU B C   1 
ATOM   322 O  O   . GLU B 2 21 ? -11.304 16.514 12.446 1.00 63.31  ?  21  GLU B O   1 
ATOM   323 C  CB  . GLU B 2 21 ? -13.032 14.432 10.793 1.00 65.59  ?  21  GLU B CB  1 
ATOM   324 C  CG  . GLU B 2 21 ? -13.139 13.220 9.887  1.00 74.43  ?  21  GLU B CG  1 
ATOM   325 C  CD  . GLU B 2 21 ? -14.144 13.418 8.772  1.00 94.23  ?  21  GLU B CD  1 
ATOM   326 O  OE1 . GLU B 2 21 ? -14.352 14.578 8.357  1.00 100.17 ?  21  GLU B OE1 1 
ATOM   327 O  OE2 . GLU B 2 21 ? -14.730 12.414 8.315  1.00 103.27 -1 21  GLU B OE2 1 
ATOM   328 N  N   . ARG B 2 22 ? -12.739 15.531 13.879 1.00 59.42  ?  22  ARG B N   1 
ATOM   329 C  CA  . ARG B 2 22 ? -12.782 16.700 14.751 1.00 53.96  ?  22  ARG B CA  1 
ATOM   330 C  C   . ARG B 2 22 ? -11.414 16.996 15.352 1.00 56.43  ?  22  ARG B C   1 
ATOM   331 O  O   . ARG B 2 22 ? -10.981 18.154 15.389 1.00 57.95  ?  22  ARG B O   1 
ATOM   332 C  CB  . ARG B 2 22 ? -13.817 16.492 15.857 1.00 51.67  ?  22  ARG B CB  1 
ATOM   333 C  CG  . ARG B 2 22 ? -15.258 16.685 15.414 1.00 58.06  ?  22  ARG B CG  1 
ATOM   334 C  CD  A ARG B 2 22 ? -16.229 16.317 16.523 0.42 49.38  ?  22  ARG B CD  1 
ATOM   335 C  CD  B ARG B 2 22 ? -16.222 16.421 16.561 0.58 54.34  ?  22  ARG B CD  1 
ATOM   336 N  NE  A ARG B 2 22 ? -16.169 14.897 16.846 0.42 55.11  ?  22  ARG B NE  1 
ATOM   337 N  NE  B ARG B 2 22 ? -15.952 17.276 17.711 0.58 56.62  ?  22  ARG B NE  1 
ATOM   338 C  CZ  A ARG B 2 22 ? -16.873 14.316 17.807 0.42 55.61  ?  22  ARG B CZ  1 
ATOM   339 C  CZ  B ARG B 2 22 ? -16.609 17.215 18.861 0.58 57.01  ?  22  ARG B CZ  1 
ATOM   340 N  NH1 A ARG B 2 22 ? -17.702 15.007 18.571 0.42 53.72  ?  22  ARG B NH1 1 
ATOM   341 N  NH1 B ARG B 2 22 ? -17.588 16.346 19.053 0.58 53.07  ?  22  ARG B NH1 1 
ATOM   342 N  NH2 A ARG B 2 22 ? -16.740 13.008 18.009 0.42 55.13  ?  22  ARG B NH2 1 
ATOM   343 N  NH2 B ARG B 2 22 ? -16.274 18.046 19.844 0.58 57.12  ?  22  ARG B NH2 1 
ATOM   344 N  N   . GLY B 2 23 ? -10.711 15.963 15.808 1.00 67.50  ?  23  GLY B N   1 
ATOM   345 C  CA  . GLY B 2 23 ? -9.448  16.136 16.492 1.00 64.98  ?  23  GLY B CA  1 
ATOM   346 C  C   . GLY B 2 23 ? -9.614  16.259 17.996 1.00 65.38  ?  23  GLY B C   1 
ATOM   347 O  O   . GLY B 2 23 ? -10.715 16.406 18.532 1.00 68.04  ?  23  GLY B O   1 
ATOM   348 N  N   . PHE B 2 24 ? -8.481  16.195 18.693 1.00 65.19  ?  24  PHE B N   1 
ATOM   349 C  CA  . PHE B 2 24 ? -8.473  16.226 20.147 1.00 72.66  ?  24  PHE B CA  1 
ATOM   350 C  C   . PHE B 2 24 ? -7.331  17.102 20.638 1.00 83.13  ?  24  PHE B C   1 
ATOM   351 O  O   . PHE B 2 24 ? -6.392  17.411 19.901 1.00 77.55  ?  24  PHE B O   1 
ATOM   352 C  CB  . PHE B 2 24 ? -8.341  14.817 20.747 1.00 61.38  ?  24  PHE B CB  1 
ATOM   353 C  CG  . PHE B 2 24 ? -7.053  14.124 20.398 1.00 56.84  ?  24  PHE B CG  1 
ATOM   354 C  CD1 . PHE B 2 24 ? -6.946  13.381 19.234 1.00 55.12  ?  24  PHE B CD1 1 
ATOM   355 C  CD2 . PHE B 2 24 ? -5.953  14.209 21.237 1.00 55.49  ?  24  PHE B CD2 1 
ATOM   356 C  CE1 . PHE B 2 24 ? -5.765  12.741 18.911 1.00 52.09  ?  24  PHE B CE1 1 
ATOM   357 C  CE2 . PHE B 2 24 ? -4.769  13.572 20.918 1.00 52.67  ?  24  PHE B CE2 1 
ATOM   358 C  CZ  . PHE B 2 24 ? -4.675  12.837 19.753 1.00 50.96  ?  24  PHE B CZ  1 
ATOM   359 N  N   . PHE B 2 25 ? -7.426  17.498 21.904 1.00 98.83  ?  25  PHE B N   1 
ATOM   360 C  CA  . PHE B 2 25 ? -6.361  18.211 22.592 1.00 98.27  ?  25  PHE B CA  1 
ATOM   361 C  C   . PHE B 2 25 ? -6.029  17.462 23.874 1.00 97.80  ?  25  PHE B C   1 
ATOM   362 O  O   . PHE B 2 25 ? -6.934  17.073 24.620 1.00 98.95  ?  25  PHE B O   1 
ATOM   363 C  CB  . PHE B 2 25 ? -6.760  19.662 22.898 1.00 101.54 ?  25  PHE B CB  1 
ATOM   364 C  CG  . PHE B 2 25 ? -7.934  19.793 23.830 1.00 104.68 ?  25  PHE B CG  1 
ATOM   365 C  CD1 . PHE B 2 25 ? -9.232  19.685 23.356 1.00 107.33 ?  25  PHE B CD1 1 
ATOM   366 C  CD2 . PHE B 2 25 ? -7.738  20.040 25.180 1.00 105.17 ?  25  PHE B CD2 1 
ATOM   367 C  CE1 . PHE B 2 25 ? -10.311 19.808 24.213 1.00 111.53 ?  25  PHE B CE1 1 
ATOM   368 C  CE2 . PHE B 2 25 ? -8.812  20.164 26.041 1.00 106.44 ?  25  PHE B CE2 1 
ATOM   369 C  CZ  . PHE B 2 25 ? -10.100 20.049 25.557 1.00 111.93 ?  25  PHE B CZ  1 
ATOM   370 N  N   . TYR B 2 26 ? -4.739  17.248 24.120 1.00 67.45  ?  26  TYR B N   1 
ATOM   371 C  CA  . TYR B 2 26 ? -4.265  16.547 25.308 1.00 69.73  ?  26  TYR B CA  1 
ATOM   372 C  C   . TYR B 2 26 ? -3.486  17.537 26.165 1.00 67.14  ?  26  TYR B C   1 
ATOM   373 O  O   . TYR B 2 26 ? -2.384  17.953 25.794 1.00 68.61  ?  26  TYR B O   1 
ATOM   374 C  CB  . TYR B 2 26 ? -3.401  15.348 24.925 1.00 55.60  ?  26  TYR B CB  1 
ATOM   375 C  CG  . TYR B 2 26 ? -2.954  14.517 26.106 1.00 54.75  ?  26  TYR B CG  1 
ATOM   376 C  CD1 . TYR B 2 26 ? -3.863  13.745 26.815 1.00 55.34  ?  26  TYR B CD1 1 
ATOM   377 C  CD2 . TYR B 2 26 ? -1.624  14.500 26.510 1.00 53.81  ?  26  TYR B CD2 1 
ATOM   378 C  CE1 . TYR B 2 26 ? -3.465  12.983 27.894 1.00 55.03  ?  26  TYR B CE1 1 
ATOM   379 C  CE2 . TYR B 2 26 ? -1.216  13.739 27.590 1.00 53.50  ?  26  TYR B CE2 1 
ATOM   380 C  CZ  . TYR B 2 26 ? -2.141  12.982 28.278 1.00 54.11  ?  26  TYR B CZ  1 
ATOM   381 O  OH  . TYR B 2 26 ? -1.744  12.222 29.353 1.00 54.23  ?  26  TYR B OH  1 
ATOM   382 N  N   . THR B 2 27 ? -4.055  17.909 27.311 1.00 61.49  ?  27  THR B N   1 
ATOM   383 C  CA  . THR B 2 27 ? -3.457  18.905 28.198 1.00 62.84  ?  27  THR B CA  1 
ATOM   384 C  C   . THR B 2 27 ? -3.438  18.365 29.623 1.00 71.14  ?  27  THR B C   1 
ATOM   385 O  O   . THR B 2 27 ? -4.369  18.603 30.403 1.00 75.83  ?  27  THR B O   1 
ATOM   386 C  CB  . THR B 2 27 ? -4.212  20.231 28.130 1.00 65.78  ?  27  THR B CB  1 
ATOM   387 O  OG1 . THR B 2 27 ? -4.284  20.671 26.767 1.00 66.09  ?  27  THR B OG1 1 
ATOM   388 C  CG2 . THR B 2 27 ? -3.499  21.295 28.960 1.00 67.13  ?  27  THR B CG2 1 
ATOM   389 N  N   . PRO B 2 28 ? -2.395  17.620 29.995 1.00 65.84  ?  28  PRO B N   1 
ATOM   390 C  CA  . PRO B 2 28 ? -2.291  17.210 31.404 1.00 68.22  ?  28  PRO B CA  1 
ATOM   391 C  C   . PRO B 2 28 ? -1.981  18.377 32.324 1.00 71.99  ?  28  PRO B C   1 
ATOM   392 O  O   . PRO B 2 28 ? -2.572  18.485 33.406 1.00 77.10  ?  28  PRO B O   1 
ATOM   393 C  CB  . PRO B 2 28 ? -1.167  16.165 31.385 1.00 69.82  ?  28  PRO B CB  1 
ATOM   394 C  CG  . PRO B 2 28 ? -0.366  16.475 30.164 1.00 63.62  ?  28  PRO B CG  1 
ATOM   395 C  CD  . PRO B 2 28 ? -1.308  17.079 29.162 1.00 63.59  ?  28  PRO B CD  1 
ATOM   396 N  N   . LYS B 2 29 ? -1.081  19.267 31.910 0.00 73.36  ?  29  LYS B N   1 
ATOM   397 C  CA  . LYS B 2 29 ? -0.741  20.461 32.682 0.00 75.89  ?  29  LYS B CA  1 
ATOM   398 C  C   . LYS B 2 29 ? -1.035  21.738 31.893 0.00 76.58  ?  29  LYS B C   1 
ATOM   399 O  O   . LYS B 2 29 ? -1.302  22.801 32.457 0.00 77.68  ?  29  LYS B O   1 
ATOM   400 C  CB  . LYS B 2 29 ? 0.732   20.429 33.088 0.00 78.97  ?  29  LYS B CB  1 
ATOM   401 C  CG  . LYS B 2 29 ? 0.975   20.193 34.564 0.00 80.96  ?  29  LYS B CG  1 
ATOM   402 C  CD  . LYS B 2 29 ? 0.333   18.906 35.038 0.00 86.60  ?  29  LYS B CD  1 
ATOM   403 C  CE  . LYS B 2 29 ? 0.922   17.695 34.338 0.00 88.15  ?  29  LYS B CE  1 
ATOM   404 N  NZ  . LYS B 2 29 ? 0.166   16.460 34.671 0.00 95.43  ?  29  LYS B NZ  1 
ATOM   405 O  OXT . LYS B 2 29 ? -1.010  21.737 30.662 1.00 78.54  -1 29  LYS B OXT 1 
ATOM   406 N  N   . GLY C 1 1  ? -1.325  19.712 7.320  1.00 98.76  ?  1   GLY C N   1 
ATOM   407 C  CA  . GLY C 1 1  ? -1.342  19.333 8.720  1.00 97.63  ?  1   GLY C CA  1 
ATOM   408 C  C   . GLY C 1 1  ? -0.342  18.246 9.061  1.00 90.89  ?  1   GLY C C   1 
ATOM   409 O  O   . GLY C 1 1  ? 0.606   18.001 8.313  1.00 88.52  ?  1   GLY C O   1 
ATOM   410 N  N   . ILE C 1 2  ? -0.557  17.592 10.204 1.00 77.15  ?  2   ILE C N   1 
ATOM   411 C  CA  . ILE C 1 2  ? 0.360   16.545 10.644 1.00 64.64  ?  2   ILE C CA  1 
ATOM   412 C  C   . ILE C 1 2  ? 0.229   15.307 9.763  1.00 63.23  ?  2   ILE C C   1 
ATOM   413 O  O   . ILE C 1 2  ? 1.228   14.660 9.426  1.00 64.07  ?  2   ILE C O   1 
ATOM   414 C  CB  . ILE C 1 2  ? 0.124   16.225 12.133 1.00 60.52  ?  2   ILE C CB  1 
ATOM   415 C  CG1 . ILE C 1 2  ? 1.080   15.130 12.611 1.00 57.73  ?  2   ILE C CG1 1 
ATOM   416 C  CG2 . ILE C 1 2  ? -1.326  15.838 12.387 1.00 57.39  ?  2   ILE C CG2 1 
ATOM   417 C  CD1 . ILE C 1 2  ? 0.849   14.715 14.042 1.00 53.62  ?  2   ILE C CD1 1 
ATOM   418 N  N   . VAL C 1 3  ? -0.998  14.964 9.366  1.00 68.76  ?  3   VAL C N   1 
ATOM   419 C  CA  . VAL C 1 3  ? -1.216  13.768 8.558  1.00 61.43  ?  3   VAL C CA  1 
ATOM   420 C  C   . VAL C 1 3  ? -0.615  13.937 7.168  1.00 62.33  ?  3   VAL C C   1 
ATOM   421 O  O   . VAL C 1 3  ? -0.015  13.006 6.619  1.00 57.06  ?  3   VAL C O   1 
ATOM   422 C  CB  . VAL C 1 3  ? -2.719  13.441 8.492  1.00 62.95  ?  3   VAL C CB  1 
ATOM   423 C  CG1 . VAL C 1 3  ? -3.016  12.504 7.332  1.00 60.87  ?  3   VAL C CG1 1 
ATOM   424 C  CG2 . VAL C 1 3  ? -3.182  12.834 9.806  1.00 60.23  ?  3   VAL C CG2 1 
ATOM   425 N  N   . GLU C 1 4  ? -0.757  15.125 6.580  1.00 70.28  ?  4   GLU C N   1 
ATOM   426 C  CA  . GLU C 1 4  ? -0.290  15.329 5.213  1.00 66.63  ?  4   GLU C CA  1 
ATOM   427 C  C   . GLU C 1 4  ? 1.226   15.203 5.113  1.00 60.44  ?  4   GLU C C   1 
ATOM   428 O  O   . GLU C 1 4  ? 1.746   14.687 4.117  1.00 59.36  ?  4   GLU C O   1 
ATOM   429 C  CB  . GLU C 1 4  ? -0.755  16.690 4.700  1.00 65.04  ?  4   GLU C CB  1 
ATOM   430 C  CG  . GLU C 1 4  ? -0.507  16.914 3.220  0.00 66.19  ?  4   GLU C CG  1 
ATOM   431 C  CD  . GLU C 1 4  ? -1.221  18.141 2.696  0.00 67.99  ?  4   GLU C CD  1 
ATOM   432 O  OE1 . GLU C 1 4  ? -1.985  18.757 3.469  0.00 68.88  ?  4   GLU C OE1 1 
ATOM   433 O  OE2 . GLU C 1 4  ? -1.021  18.489 1.514  0.00 67.83  -1 4   GLU C OE2 1 
ATOM   434 N  N   . GLN C 1 5  ? 1.952   15.664 6.131  1.00 71.46  ?  5   GLN C N   1 
ATOM   435 C  CA  . GLN C 1 5  ? 3.411   15.689 6.071  1.00 75.00  ?  5   GLN C CA  1 
ATOM   436 C  C   . GLN C 1 5  ? 4.037   14.397 6.593  1.00 75.58  ?  5   GLN C C   1 
ATOM   437 O  O   . GLN C 1 5  ? 4.755   13.708 5.860  1.00 78.38  ?  5   GLN C O   1 
ATOM   438 C  CB  . GLN C 1 5  ? 3.947   16.891 6.856  1.00 80.65  ?  5   GLN C CB  1 
ATOM   439 C  CG  . GLN C 1 5  ? 5.464   16.952 6.910  1.00 72.63  ?  5   GLN C CG  1 
ATOM   440 C  CD  . GLN C 1 5  ? 5.975   18.075 7.788  1.00 67.93  ?  5   GLN C CD  1 
ATOM   441 O  OE1 . GLN C 1 5  ? 5.195   18.845 8.348  1.00 77.64  ?  5   GLN C OE1 1 
ATOM   442 N  NE2 . GLN C 1 5  ? 7.293   18.172 7.915  1.00 76.87  ?  5   GLN C NE2 1 
ATOM   443 N  N   . CYS C 1 6  ? 3.772   14.054 7.854  1.00 58.97  ?  6   CYS C N   1 
ATOM   444 C  CA  . CYS C 1 6  ? 4.478   12.953 8.497  1.00 53.78  ?  6   CYS C CA  1 
ATOM   445 C  C   . CYS C 1 6  ? 3.999   11.576 8.054  1.00 51.59  ?  6   CYS C C   1 
ATOM   446 O  O   . CYS C 1 6  ? 4.686   10.586 8.331  1.00 53.32  ?  6   CYS C O   1 
ATOM   447 C  CB  . CYS C 1 6  ? 4.362   13.070 10.018 1.00 55.90  ?  6   CYS C CB  1 
ATOM   448 S  SG  . CYS C 1 6  ? 5.172   14.531 10.712 1.00 36.91  ?  6   CYS C SG  1 
ATOM   449 N  N   . CYS C 1 7  ? 2.850   11.478 7.389  1.00 45.91  ?  7   CYS C N   1 
ATOM   450 C  CA  . CYS C 1 7  ? 2.399   10.203 6.846  1.00 44.25  ?  7   CYS C CA  1 
ATOM   451 C  C   . CYS C 1 7  ? 2.818   9.995  5.398  1.00 47.27  ?  7   CYS C C   1 
ATOM   452 O  O   . CYS C 1 7  ? 2.494   8.955  4.816  1.00 48.70  ?  7   CYS C O   1 
ATOM   453 C  CB  . CYS C 1 7  ? 0.879   10.074 6.970  1.00 42.06  ?  7   CYS C CB  1 
ATOM   454 S  SG  . CYS C 1 7  ? 0.340   9.797  8.664  1.00 29.85  ?  7   CYS C SG  1 
ATOM   455 N  N   . THR C 1 8  ? 3.528   10.953 4.807  1.00 48.74  ?  8   THR C N   1 
ATOM   456 C  CA  . THR C 1 8  ? 4.127   10.786 3.491  1.00 46.12  ?  8   THR C CA  1 
ATOM   457 C  C   . THR C 1 8  ? 5.645   10.747 3.532  1.00 56.06  ?  8   THR C C   1 
ATOM   458 O  O   . THR C 1 8  ? 6.260   10.142 2.652  1.00 62.22  ?  8   THR C O   1 
ATOM   459 C  CB  . THR C 1 8  ? 3.677   11.912 2.552  1.00 48.06  ?  8   THR C CB  1 
ATOM   460 O  OG1 . THR C 1 8  ? 4.063   13.180 3.099  1.00 50.46  ?  8   THR C OG1 1 
ATOM   461 C  CG2 . THR C 1 8  ? 2.166   11.880 2.383  1.00 57.64  ?  8   THR C CG2 1 
ATOM   462 N  N   . SER C 1 9  ? 6.257   11.371 4.537  1.00 45.51  ?  9   SER C N   1 
ATOM   463 C  CA  . SER C 1 9  ? 7.691   11.292 4.763  1.00 40.70  ?  9   SER C CA  1 
ATOM   464 C  C   . SER C 1 9  ? 7.945   11.095 6.249  1.00 42.84  ?  9   SER C C   1 
ATOM   465 O  O   . SER C 1 9  ? 7.182   11.576 7.092  1.00 43.42  ?  9   SER C O   1 
ATOM   466 C  CB  . SER C 1 9  ? 8.412   12.549 4.264  1.00 44.01  ?  9   SER C CB  1 
ATOM   467 O  OG  . SER C 1 9  ? 8.203   12.730 2.875  1.00 47.29  ?  9   SER C OG  1 
ATOM   468 N  N   . ILE C 1 10 ? 9.024   10.378 6.565  1.00 46.23  ?  10  ILE C N   1 
ATOM   469 C  CA  . ILE C 1 10 ? 9.382   10.139 7.958  1.00 44.71  ?  10  ILE C CA  1 
ATOM   470 C  C   . ILE C 1 10 ? 9.763   11.460 8.611  1.00 43.00  ?  10  ILE C C   1 
ATOM   471 O  O   . ILE C 1 10 ? 10.607  12.205 8.097  1.00 54.88  ?  10  ILE C O   1 
ATOM   472 C  CB  . ILE C 1 10 ? 10.519  9.111  8.059  1.00 48.41  ?  10  ILE C CB  1 
ATOM   473 C  CG1 . ILE C 1 10 ? 9.968   7.695  7.870  1.00 54.01  ?  10  ILE C CG1 1 
ATOM   474 C  CG2 . ILE C 1 10 ? 11.245  9.238  9.392  1.00 47.84  ?  10  ILE C CG2 1 
ATOM   475 C  CD1 . ILE C 1 10 ? 10.983  6.602  8.120  1.00 44.94  ?  10  ILE C CD1 1 
ATOM   476 N  N   . CYS C 1 11 ? 9.137   11.757 9.747  1.00 44.53  ?  11  CYS C N   1 
ATOM   477 C  CA  . CYS C 1 11 ? 9.347   13.021 10.439 1.00 56.50  ?  11  CYS C CA  1 
ATOM   478 C  C   . CYS C 1 11 ? 10.405  12.862 11.523 1.00 62.56  ?  11  CYS C C   1 
ATOM   479 O  O   . CYS C 1 11 ? 10.345  11.928 12.329 1.00 61.20  ?  11  CYS C O   1 
ATOM   480 C  CB  . CYS C 1 11 ? 8.035   13.527 11.043 1.00 63.60  ?  11  CYS C CB  1 
ATOM   481 S  SG  . CYS C 1 11 ? 7.030   14.498 9.889  1.00 61.20  ?  11  CYS C SG  1 
ATOM   482 N  N   . SER C 1 12 ? 11.374  13.772 11.531 1.00 73.05  ?  12  SER C N   1 
ATOM   483 C  CA  . SER C 1 12 ? 12.405  13.789 12.555 1.00 74.01  ?  12  SER C CA  1 
ATOM   484 C  C   . SER C 1 12 ? 11.880  14.451 13.825 1.00 78.91  ?  12  SER C C   1 
ATOM   485 O  O   . SER C 1 12 ? 10.902  15.203 13.804 1.00 82.50  ?  12  SER C O   1 
ATOM   486 C  CB  . SER C 1 12 ? 13.653  14.518 12.053 1.00 74.35  ?  12  SER C CB  1 
ATOM   487 O  OG  . SER C 1 12 ? 13.332  15.816 11.585 1.00 80.70  ?  12  SER C OG  1 
ATOM   488 N  N   . LEU C 1 13 ? 12.563  14.170 14.940 1.00 73.22  ?  13  LEU C N   1 
ATOM   489 C  CA  . LEU C 1 13 ? 12.073  14.573 16.258 1.00 76.86  ?  13  LEU C CA  1 
ATOM   490 C  C   . LEU C 1 13 ? 11.773  16.066 16.328 1.00 79.13  ?  13  LEU C C   1 
ATOM   491 O  O   . LEU C 1 13 ? 10.828  16.484 17.007 1.00 75.46  ?  13  LEU C O   1 
ATOM   492 C  CB  . LEU C 1 13 ? 13.092  14.185 17.331 1.00 78.37  ?  13  LEU C CB  1 
ATOM   493 C  CG  . LEU C 1 13 ? 13.349  12.688 17.516 1.00 77.97  ?  13  LEU C CG  1 
ATOM   494 C  CD1 . LEU C 1 13 ? 14.354  12.450 18.634 1.00 70.50  ?  13  LEU C CD1 1 
ATOM   495 C  CD2 . LEU C 1 13 ? 12.047  11.952 17.794 1.00 70.71  ?  13  LEU C CD2 1 
ATOM   496 N  N   . TYR C 1 14 ? 12.569  16.886 15.639 1.00 98.18  ?  14  TYR C N   1 
ATOM   497 C  CA  . TYR C 1 14 ? 12.297  18.319 15.609 1.00 98.77  ?  14  TYR C CA  1 
ATOM   498 C  C   . TYR C 1 14 ? 10.989  18.616 14.887 1.00 97.88  ?  14  TYR C C   1 
ATOM   499 O  O   . TYR C 1 14 ? 10.227  19.496 15.306 1.00 92.41  ?  14  TYR C O   1 
ATOM   500 C  CB  . TYR C 1 14 ? 13.456  19.059 14.944 1.00 107.56 ?  14  TYR C CB  1 
ATOM   501 C  CG  . TYR C 1 14 ? 14.814  18.618 15.434 1.00 115.44 ?  14  TYR C CG  1 
ATOM   502 C  CD1 . TYR C 1 14 ? 15.362  19.148 16.595 1.00 121.10 ?  14  TYR C CD1 1 
ATOM   503 C  CD2 . TYR C 1 14 ? 15.548  17.668 14.737 1.00 113.46 ?  14  TYR C CD2 1 
ATOM   504 C  CE1 . TYR C 1 14 ? 16.603  18.744 17.047 1.00 125.89 ?  14  TYR C CE1 1 
ATOM   505 C  CE2 . TYR C 1 14 ? 16.789  17.258 15.181 1.00 118.43 ?  14  TYR C CE2 1 
ATOM   506 C  CZ  . TYR C 1 14 ? 17.311  17.799 16.336 1.00 126.87 ?  14  TYR C CZ  1 
ATOM   507 O  OH  . TYR C 1 14 ? 18.548  17.393 16.782 1.00 129.12 ?  14  TYR C OH  1 
ATOM   508 N  N   . GLN C 1 15 ? 10.714  17.895 13.798 1.00 112.55 ?  15  GLN C N   1 
ATOM   509 C  CA  . GLN C 1 15 ? 9.461   18.090 13.076 1.00 106.13 ?  15  GLN C CA  1 
ATOM   510 C  C   . GLN C 1 15 ? 8.265   17.703 13.937 1.00 99.53  ?  15  GLN C C   1 
ATOM   511 O  O   . GLN C 1 15 ? 7.219   18.360 13.891 1.00 92.60  ?  15  GLN C O   1 
ATOM   512 C  CB  . GLN C 1 15 ? 9.479   17.293 11.772 1.00 100.56 ?  15  GLN C CB  1 
ATOM   513 C  CG  . GLN C 1 15 ? 10.479  17.820 10.753 1.00 103.19 ?  15  GLN C CG  1 
ATOM   514 C  CD  . GLN C 1 15 ? 10.527  16.984 9.490  1.00 97.98  ?  15  GLN C CD  1 
ATOM   515 O  OE1 . GLN C 1 15 ? 10.666  15.764 9.545  1.00 96.55  ?  15  GLN C OE1 1 
ATOM   516 N  NE2 . GLN C 1 15 ? 10.409  17.639 8.340  1.00 97.29  ?  15  GLN C NE2 1 
ATOM   517 N  N   . LEU C 1 16 ? 8.398   16.635 14.727 1.00 82.57  ?  16  LEU C N   1 
ATOM   518 C  CA  . LEU C 1 16 ? 7.345   16.293 15.678 1.00 72.08  ?  16  LEU C CA  1 
ATOM   519 C  C   . LEU C 1 16 ? 7.217   17.355 16.762 1.00 65.37  ?  16  LEU C C   1 
ATOM   520 O  O   . LEU C 1 16 ? 6.110   17.631 17.238 1.00 55.71  ?  16  LEU C O   1 
ATOM   521 C  CB  . LEU C 1 16 ? 7.613   14.925 16.304 1.00 66.06  ?  16  LEU C CB  1 
ATOM   522 C  CG  . LEU C 1 16 ? 7.470   13.700 15.397 1.00 59.48  ?  16  LEU C CG  1 
ATOM   523 C  CD1 . LEU C 1 16 ? 8.816   13.227 14.894 1.00 65.92  ?  16  LEU C CD1 1 
ATOM   524 C  CD2 . LEU C 1 16 ? 6.767   12.583 16.137 1.00 58.71  ?  16  LEU C CD2 1 
ATOM   525 N  N   . GLU C 1 17 ? 8.339   17.957 17.170 1.00 76.03  ?  17  GLU C N   1 
ATOM   526 C  CA  . GLU C 1 17 ? 8.286   19.014 18.176 1.00 63.89  ?  17  GLU C CA  1 
ATOM   527 C  C   . GLU C 1 17 ? 7.486   20.216 17.688 1.00 60.35  ?  17  GLU C C   1 
ATOM   528 O  O   . GLU C 1 17 ? 6.856   20.911 18.495 1.00 55.87  ?  17  GLU C O   1 
ATOM   529 C  CB  . GLU C 1 17 ? 9.701   19.439 18.574 1.00 59.63  ?  17  GLU C CB  1 
ATOM   530 C  CG  . GLU C 1 17 ? 9.735   20.632 19.518 1.00 68.96  ?  17  GLU C CG  1 
ATOM   531 C  CD  . GLU C 1 17 ? 11.028  20.741 20.295 1.00 60.89  ?  17  GLU C CD  1 
ATOM   532 O  OE1 . GLU C 1 17 ? 12.105  20.778 19.665 1.00 63.10  ?  17  GLU C OE1 1 
ATOM   533 O  OE2 . GLU C 1 17 ? 10.964  20.781 21.542 1.00 60.23  -1 17  GLU C OE2 1 
ATOM   534 N  N   . ASN C 1 18 ? 7.480   20.464 16.374 1.00 66.39  ?  18  ASN C N   1 
ATOM   535 C  CA  . ASN C 1 18 ? 6.724   21.584 15.824 1.00 60.99  ?  18  ASN C CA  1 
ATOM   536 C  C   . ASN C 1 18 ? 5.232   21.482 16.115 1.00 60.84  ?  18  ASN C C   1 
ATOM   537 O  O   . ASN C 1 18 ? 4.540   22.506 16.108 1.00 63.93  ?  18  ASN C O   1 
ATOM   538 C  CB  . ASN C 1 18 ? 6.947   21.682 14.313 1.00 58.96  ?  18  ASN C CB  1 
ATOM   539 C  CG  . ASN C 1 18 ? 8.206   22.449 13.957 1.00 72.74  ?  18  ASN C CG  1 
ATOM   540 O  OD1 . ASN C 1 18 ? 9.057   22.702 14.810 1.00 70.32  ?  18  ASN C OD1 1 
ATOM   541 N  ND2 . ASN C 1 18 ? 8.329   22.825 12.689 1.00 76.20  ?  18  ASN C ND2 1 
ATOM   542 N  N   . TYR C 1 19 ? 4.721   20.280 16.368 1.00 62.73  ?  19  TYR C N   1 
ATOM   543 C  CA  . TYR C 1 19 ? 3.309   20.088 16.667 1.00 56.07  ?  19  TYR C CA  1 
ATOM   544 C  C   . TYR C 1 19 ? 2.998   20.158 18.157 1.00 52.36  ?  19  TYR C C   1 
ATOM   545 O  O   . TYR C 1 19 ? 1.825   20.073 18.533 1.00 51.44  ?  19  TYR C O   1 
ATOM   546 C  CB  . TYR C 1 19 ? 2.829   18.745 16.107 1.00 59.26  ?  19  TYR C CB  1 
ATOM   547 C  CG  . TYR C 1 19 ? 2.975   18.617 14.609 1.00 57.47  ?  19  TYR C CG  1 
ATOM   548 C  CD1 . TYR C 1 19 ? 2.036   19.175 13.754 1.00 57.49  ?  19  TYR C CD1 1 
ATOM   549 C  CD2 . TYR C 1 19 ? 4.048   17.937 14.049 1.00 55.57  ?  19  TYR C CD2 1 
ATOM   550 C  CE1 . TYR C 1 19 ? 2.163   19.064 12.385 1.00 60.44  ?  19  TYR C CE1 1 
ATOM   551 C  CE2 . TYR C 1 19 ? 4.182   17.820 12.680 1.00 56.72  ?  19  TYR C CE2 1 
ATOM   552 C  CZ  . TYR C 1 19 ? 3.235   18.385 11.853 1.00 65.05  ?  19  TYR C CZ  1 
ATOM   553 O  OH  . TYR C 1 19 ? 3.359   18.274 10.487 1.00 65.21  ?  19  TYR C OH  1 
ATOM   554 N  N   . CYS C 1 20 ? 4.010   20.304 19.007 1.00 52.74  ?  20  CYS C N   1 
ATOM   555 C  CA  . CYS C 1 20 ? 3.787   20.357 20.444 1.00 52.70  ?  20  CYS C CA  1 
ATOM   556 C  C   . CYS C 1 20 ? 3.269   21.727 20.866 1.00 51.59  ?  20  CYS C C   1 
ATOM   557 O  O   . CYS C 1 20 ? 3.530   22.743 20.216 1.00 52.22  ?  20  CYS C O   1 
ATOM   558 C  CB  . CYS C 1 20 ? 5.076   20.032 21.199 1.00 52.81  ?  20  CYS C CB  1 
ATOM   559 S  SG  . CYS C 1 20 ? 5.789   18.427 20.775 1.00 53.76  ?  20  CYS C SG  1 
ATOM   560 N  N   . ASN C 1 21 ? 2.530   21.744 21.970 1.00 50.78  ?  21  ASN C N   1 
ATOM   561 C  CA  . ASN C 1 21 ? 1.991   22.986 22.513 1.00 50.56  ?  21  ASN C CA  1 
ATOM   562 C  C   . ASN C 1 21 ? 3.071   23.789 23.228 1.00 51.17  ?  21  ASN C C   1 
ATOM   563 O  O   . ASN C 1 21 ? 2.795   24.848 23.791 1.00 55.31  ?  21  ASN C O   1 
ATOM   564 C  CB  . ASN C 1 21 ? 0.833   22.697 23.470 1.00 50.94  ?  21  ASN C CB  1 
ATOM   565 C  CG  . ASN C 1 21 ? -0.478  22.473 22.746 1.00 50.45  ?  21  ASN C CG  1 
ATOM   566 O  OD1 . ASN C 1 21 ? -0.725  23.062 21.693 1.00 51.21  ?  21  ASN C OD1 1 
ATOM   567 N  ND2 . ASN C 1 21 ? -1.329  21.622 23.308 1.00 49.25  ?  21  ASN C ND2 1 
ATOM   568 O  OXT . ASN C 1 21 ? 4.238   23.401 23.261 1.00 51.87  -1 21  ASN C OXT 1 
ATOM   569 N  N   . PHE D 2 1  ? -10.326 6.703  4.060  1.00 80.65  ?  1   PHE D N   1 
ATOM   570 C  CA  . PHE D 2 1  ? -9.156  5.887  3.752  1.00 70.74  ?  1   PHE D CA  1 
ATOM   571 C  C   . PHE D 2 1  ? -8.557  5.296  5.030  1.00 65.88  ?  1   PHE D C   1 
ATOM   572 O  O   . PHE D 2 1  ? -8.631  5.904  6.097  1.00 69.08  ?  1   PHE D O   1 
ATOM   573 C  CB  . PHE D 2 1  ? -8.118  6.713  2.991  1.00 81.02  ?  1   PHE D CB  1 
ATOM   574 C  CG  . PHE D 2 1  ? -6.879  5.948  2.648  1.00 79.31  ?  1   PHE D CG  1 
ATOM   575 C  CD1 . PHE D 2 1  ? -6.943  4.829  1.836  1.00 81.11  ?  1   PHE D CD1 1 
ATOM   576 C  CD2 . PHE D 2 1  ? -5.651  6.344  3.140  1.00 80.63  ?  1   PHE D CD2 1 
ATOM   577 C  CE1 . PHE D 2 1  ? -5.804  4.118  1.525  1.00 85.26  ?  1   PHE D CE1 1 
ATOM   578 C  CE2 . PHE D 2 1  ? -4.511  5.638  2.834  1.00 80.93  ?  1   PHE D CE2 1 
ATOM   579 C  CZ  . PHE D 2 1  ? -4.589  4.521  2.026  1.00 83.67  ?  1   PHE D CZ  1 
ATOM   580 N  N   . VAL D 2 2  ? -7.957  4.114  4.913  1.00 66.82  ?  2   VAL D N   1 
ATOM   581 C  CA  . VAL D 2 2  ? -7.606  3.293  6.070  1.00 66.35  ?  2   VAL D CA  1 
ATOM   582 C  C   . VAL D 2 2  ? -6.134  3.420  6.445  1.00 61.37  ?  2   VAL D C   1 
ATOM   583 O  O   . VAL D 2 2  ? -5.802  3.574  7.619  1.00 56.12  ?  2   VAL D O   1 
ATOM   584 C  CB  . VAL D 2 2  ? -7.989  1.820  5.808  1.00 61.64  ?  2   VAL D CB  1 
ATOM   585 C  CG1 . VAL D 2 2  ? -7.816  0.992  7.072  1.00 54.65  ?  2   VAL D CG1 1 
ATOM   586 C  CG2 . VAL D 2 2  ? -9.416  1.732  5.293  1.00 53.71  ?  2   VAL D CG2 1 
ATOM   587 N  N   . ASN D 2 3  ? -5.230  3.336  5.465  1.00 74.36  ?  3   ASN D N   1 
ATOM   588 C  CA  . ASN D 2 3  ? -3.805  3.363  5.791  1.00 73.20  ?  3   ASN D CA  1 
ATOM   589 C  C   . ASN D 2 3  ? -3.382  4.711  6.362  1.00 72.78  ?  3   ASN D C   1 
ATOM   590 O  O   . ASN D 2 3  ? -2.455  4.774  7.177  1.00 73.75  ?  3   ASN D O   1 
ATOM   591 C  CB  . ASN D 2 3  ? -2.970  3.016  4.559  0.99 75.30  ?  3   ASN D CB  1 
ATOM   592 C  CG  . ASN D 2 3  ? -1.505  2.809  4.888  0.00 74.38  ?  3   ASN D CG  1 
ATOM   593 O  OD1 . ASN D 2 3  ? -0.729  3.763  4.951  0.00 75.32  ?  3   ASN D OD1 1 
ATOM   594 N  ND2 . ASN D 2 3  ? -1.117  1.556  5.091  0.00 73.74  ?  3   ASN D ND2 1 
ATOM   595 N  N   . GLN D 2 4  ? -4.037  5.796  5.941  1.00 63.83  ?  4   GLN D N   1 
ATOM   596 C  CA  . GLN D 2 4  ? -3.822  7.086  6.589  1.00 63.98  ?  4   GLN D CA  1 
ATOM   597 C  C   . GLN D 2 4  ? -4.277  7.044  8.042  1.00 53.73  ?  4   GLN D C   1 
ATOM   598 O  O   . GLN D 2 4  ? -3.614  7.599  8.928  1.00 48.43  ?  4   GLN D O   1 
ATOM   599 C  CB  . GLN D 2 4  ? -4.561  8.185  5.827  1.00 66.97  ?  4   GLN D CB  1 
ATOM   600 C  CG  . GLN D 2 4  ? -4.782  9.451  6.628  1.00 66.36  ?  4   GLN D CG  1 
ATOM   601 C  CD  . GLN D 2 4  ? -5.922  10.288 6.088  1.00 80.41  ?  4   GLN D CD  1 
ATOM   602 O  OE1 . GLN D 2 4  ? -5.728  11.134 5.216  1.00 92.18  ?  4   GLN D OE1 1 
ATOM   603 N  NE2 . GLN D 2 4  ? -7.123  10.056 6.607  1.00 83.63  ?  4   GLN D NE2 1 
ATOM   604 N  N   . HIS D 2 5  ? -5.410  6.388  8.303  1.00 51.82  ?  5   HIS D N   1 
ATOM   605 C  CA  . HIS D 2 5  ? -5.874  6.202  9.674  1.00 49.45  ?  5   HIS D CA  1 
ATOM   606 C  C   . HIS D 2 5  ? -4.846  5.434  10.495 1.00 48.28  ?  5   HIS D C   1 
ATOM   607 O  O   . HIS D 2 5  ? -4.610  5.751  11.667 1.00 47.73  ?  5   HIS D O   1 
ATOM   608 C  CB  . HIS D 2 5  ? -7.221  5.474  9.663  1.00 51.48  ?  5   HIS D CB  1 
ATOM   609 C  CG  . HIS D 2 5  ? -7.824  5.272  11.018 1.00 50.21  ?  5   HIS D CG  1 
ATOM   610 N  ND1 . HIS D 2 5  ? -7.223  4.511  12.000 1.00 49.31  ?  5   HIS D ND1 1 
ATOM   611 C  CD2 . HIS D 2 5  ? -8.990  5.712  11.548 1.00 50.96  ?  5   HIS D CD2 1 
ATOM   612 C  CE1 . HIS D 2 5  ? -7.984  4.506  13.079 1.00 49.50  ?  5   HIS D CE1 1 
ATOM   613 N  NE2 . HIS D 2 5  ? -9.063  5.226  12.831 1.00 50.49  ?  5   HIS D NE2 1 
ATOM   614 N  N   . LEU D 2 6  ? -4.225  4.418  9.891  1.00 47.96  ?  6   LEU D N   1 
ATOM   615 C  CA  . LEU D 2 6  ? -3.204  3.641  10.587 1.00 46.91  ?  6   LEU D CA  1 
ATOM   616 C  C   . LEU D 2 6  ? -1.984  4.493  10.915 1.00 46.08  ?  6   LEU D C   1 
ATOM   617 O  O   . LEU D 2 6  ? -1.463  4.442  12.035 1.00 45.35  ?  6   LEU D O   1 
ATOM   618 C  CB  . LEU D 2 6  ? -2.806  2.432  9.741  1.00 46.87  ?  6   LEU D CB  1 
ATOM   619 C  CG  . LEU D 2 6  ? -3.916  1.410  9.488  1.00 47.66  ?  6   LEU D CG  1 
ATOM   620 C  CD1 . LEU D 2 6  ? -3.507  0.449  8.386  1.00 66.68  ?  6   LEU D CD1 1 
ATOM   621 C  CD2 . LEU D 2 6  ? -4.265  0.659  10.769 1.00 47.36  ?  6   LEU D CD2 1 
ATOM   622 N  N   . CYS D 2 7  ? -1.509  5.283  9.947  1.00 46.26  ?  7   CYS D N   1 
ATOM   623 C  CA  . CYS D 2 7  ? -0.349  6.132  10.199 1.00 45.57  ?  7   CYS D CA  1 
ATOM   624 C  C   . CYS D 2 7  ? -0.659  7.198  11.241 1.00 45.56  ?  7   CYS D C   1 
ATOM   625 O  O   . CYS D 2 7  ? 0.181   7.503  12.096 1.00 44.81  ?  7   CYS D O   1 
ATOM   626 C  CB  . CYS D 2 7  ? 0.133   6.779  8.902  1.00 45.90  ?  7   CYS D CB  1 
ATOM   627 S  SG  . CYS D 2 7  ? 1.330   8.098  9.186  1.00 45.34  ?  7   CYS D SG  1 
ATOM   628 N  N   . GLY D 2 8  ? -1.857  7.783  11.181 1.00 46.44  ?  8   GLY D N   1 
ATOM   629 C  CA  . GLY D 2 8  ? -2.257  8.726  12.210 1.00 46.53  ?  8   GLY D CA  1 
ATOM   630 C  C   . GLY D 2 8  ? -2.337  8.093  13.584 1.00 45.99  ?  8   GLY D C   1 
ATOM   631 O  O   . GLY D 2 8  ? -2.080  8.754  14.594 1.00 45.67  ?  8   GLY D O   1 
ATOM   632 N  N   . SER D 2 9  ? -2.697  6.808  13.644 1.00 45.96  ?  9   SER D N   1 
ATOM   633 C  CA  . SER D 2 9  ? -2.730  6.102  14.921 1.00 45.48  ?  9   SER D CA  1 
ATOM   634 C  C   . SER D 2 9  ? -1.342  6.028  15.544 1.00 44.43  ?  9   SER D C   1 
ATOM   635 O  O   . SER D 2 9  ? -1.186  6.207  16.757 1.00 44.06  ?  9   SER D O   1 
ATOM   636 C  CB  . SER D 2 9  ? -3.306  4.699  14.730 1.00 45.71  ?  9   SER D CB  1 
ATOM   637 O  OG  . SER D 2 9  ? -4.549  4.740  14.049 1.00 46.75  ?  9   SER D OG  1 
ATOM   638 N  N   . HIS D 2 10 ? -0.320  5.754  14.730 1.00 43.99  ?  10  HIS D N   1 
ATOM   639 C  CA  . HIS D 2 10 ? 1.051   5.780  15.224 1.00 43.06  ?  10  HIS D CA  1 
ATOM   640 C  C   . HIS D 2 10 ? 1.579   7.200  15.360 1.00 42.97  ?  10  HIS D C   1 
ATOM   641 O  O   . HIS D 2 10 ? 2.489   7.446  16.159 1.00 42.32  ?  10  HIS D O   1 
ATOM   642 C  CB  . HIS D 2 10 ? 1.962   4.978  14.296 1.00 42.67  ?  10  HIS D CB  1 
ATOM   643 C  CG  . HIS D 2 10 ? 1.668   3.513  14.287 1.00 42.65  ?  10  HIS D CG  1 
ATOM   644 N  ND1 . HIS D 2 10 ? 2.420   2.599  14.993 1.00 50.79  ?  10  HIS D ND1 1 
ATOM   645 C  CD2 . HIS D 2 10 ? 0.699   2.803  13.664 1.00 43.32  ?  10  HIS D CD2 1 
ATOM   646 C  CE1 . HIS D 2 10 ? 1.929   1.388  14.800 1.00 42.17  ?  10  HIS D CE1 1 
ATOM   647 N  NE2 . HIS D 2 10 ? 0.883   1.485  14.001 1.00 43.01  ?  10  HIS D NE2 1 
ATOM   648 N  N   . LEU D 2 11 ? 1.033   8.137  14.585 1.00 43.68  ?  11  LEU D N   1 
ATOM   649 C  CA  . LEU D 2 11 ? 1.512   9.512  14.637 1.00 43.71  ?  11  LEU D CA  1 
ATOM   650 C  C   . LEU D 2 11 ? 1.170   10.172 15.968 1.00 43.72  ?  11  LEU D C   1 
ATOM   651 O  O   . LEU D 2 11 ? 1.993   10.903 16.532 1.00 43.32  ?  11  LEU D O   1 
ATOM   652 C  CB  . LEU D 2 11 ? 0.933   10.304 13.466 1.00 44.58  ?  11  LEU D CB  1 
ATOM   653 C  CG  . LEU D 2 11 ? 1.821   11.395 12.871 1.00 44.57  ?  11  LEU D CG  1 
ATOM   654 C  CD1 . LEU D 2 11 ? 3.269   10.933 12.791 1.00 43.69  ?  11  LEU D CD1 1 
ATOM   655 C  CD2 . LEU D 2 11 ? 1.308   11.774 11.493 1.00 45.43  ?  11  LEU D CD2 1 
ATOM   656 N  N   . VAL D 2 12 ? -0.036  9.926  16.489 1.00 44.21  ?  12  VAL D N   1 
ATOM   657 C  CA  . VAL D 2 12 ? -0.422  10.523 17.765 1.00 44.29  ?  12  VAL D CA  1 
ATOM   658 C  C   . VAL D 2 12 ? 0.420   9.953  18.901 1.00 43.44  ?  12  VAL D C   1 
ATOM   659 O  O   . VAL D 2 12 ? 0.772   10.669 19.847 1.00 43.26  ?  12  VAL D O   1 
ATOM   660 C  CB  . VAL D 2 12 ? -1.930  10.336 18.025 1.00 45.08  ?  12  VAL D CB  1 
ATOM   661 C  CG1 . VAL D 2 12 ? -2.746  11.084 16.988 1.00 46.01  ?  12  VAL D CG1 1 
ATOM   662 C  CG2 . VAL D 2 12 ? -2.309  8.863  18.039 1.00 44.96  ?  12  VAL D CG2 1 
ATOM   663 N  N   . GLU D 2 13 ? 0.747   8.659  18.838 1.00 43.39  ?  13  GLU D N   1 
ATOM   664 C  CA  . GLU D 2 13 ? 1.602   8.064  19.859 1.00 42.62  ?  13  GLU D CA  1 
ATOM   665 C  C   . GLU D 2 13 ? 3.001   8.663  19.819 1.00 42.02  ?  13  GLU D C   1 
ATOM   666 O  O   . GLU D 2 13 ? 3.594   8.947  20.867 1.00 44.34  ?  13  GLU D O   1 
ATOM   667 C  CB  . GLU D 2 13 ? 1.661   6.547  19.681 1.00 43.81  ?  13  GLU D CB  1 
ATOM   668 C  CG  . GLU D 2 13 ? 1.123   5.758  20.866 1.00 54.91  ?  13  GLU D CG  1 
ATOM   669 C  CD  . GLU D 2 13 ? 1.951   5.947  22.128 0.22 54.53  ?  13  GLU D CD  1 
ATOM   670 O  OE1 . GLU D 2 13 ? 3.129   6.351  22.024 1.00 53.68  ?  13  GLU D OE1 1 
ATOM   671 O  OE2 . GLU D 2 13 ? 1.422   5.689  23.229 0.65 54.24  -1 13  GLU D OE2 1 
ATOM   672 N  N   . ALA D 2 14 ? 3.544   8.859  18.617 1.00 41.56  ?  14  ALA D N   1 
ATOM   673 C  CA  . ALA D 2 14 ? 4.849   9.493  18.486 1.00 41.09  ?  14  ALA D CA  1 
ATOM   674 C  C   . ALA D 2 14 ? 4.822   10.923 19.014 1.00 41.39  ?  14  ALA D C   1 
ATOM   675 O  O   . ALA D 2 14 ? 5.760   11.362 19.690 1.00 40.97  ?  14  ALA D O   1 
ATOM   676 C  CB  . ALA D 2 14 ? 5.295   9.460  17.025 1.00 44.73  ?  14  ALA D CB  1 
ATOM   677 N  N   . LEU D 2 15 ? 3.751   11.664 18.718 1.00 42.18  ?  15  LEU D N   1 
ATOM   678 C  CA  . LEU D 2 15 ? 3.625   13.027 19.226 1.00 43.86  ?  15  LEU D CA  1 
ATOM   679 C  C   . LEU D 2 15 ? 3.504   13.048 20.745 1.00 42.41  ?  15  LEU D C   1 
ATOM   680 O  O   . LEU D 2 15 ? 4.105   13.901 21.410 1.00 42.31  ?  15  LEU D O   1 
ATOM   681 C  CB  . LEU D 2 15 ? 2.425   13.716 18.579 1.00 43.53  ?  15  LEU D CB  1 
ATOM   682 C  CG  . LEU D 2 15 ? 2.766   14.607 17.390 1.00 43.91  ?  15  LEU D CG  1 
ATOM   683 C  CD1 . LEU D 2 15 ? 3.663   15.730 17.863 1.00 43.78  ?  15  LEU D CD1 1 
ATOM   684 C  CD2 . LEU D 2 15 ? 3.445   13.813 16.290 1.00 43.53  ?  15  LEU D CD2 1 
ATOM   685 N  N   . TYR D 2 16 ? 2.732   12.116 21.310 1.00 42.42  ?  16  TYR D N   1 
ATOM   686 C  CA  . TYR D 2 16 ? 2.591   12.043 22.761 1.00 42.31  ?  16  TYR D CA  1 
ATOM   687 C  C   . TYR D 2 16 ? 3.939   11.831 23.434 1.00 41.53  ?  16  TYR D C   1 
ATOM   688 O  O   . TYR D 2 16 ? 4.240   12.468 24.450 1.00 41.52  ?  16  TYR D O   1 
ATOM   689 C  CB  . TYR D 2 16 ? 1.622   10.919 23.136 1.00 44.05  ?  16  TYR D CB  1 
ATOM   690 C  CG  . TYR D 2 16 ? 1.646   10.536 24.602 1.00 42.24  ?  16  TYR D CG  1 
ATOM   691 C  CD1 . TYR D 2 16 ? 0.905   11.243 25.538 1.00 42.77  ?  16  TYR D CD1 1 
ATOM   692 C  CD2 . TYR D 2 16 ? 2.407   9.460  25.048 1.00 47.96  ?  16  TYR D CD2 1 
ATOM   693 C  CE1 . TYR D 2 16 ? 0.923   10.895 26.874 1.00 42.99  ?  16  TYR D CE1 1 
ATOM   694 C  CE2 . TYR D 2 16 ? 2.434   9.107  26.382 1.00 41.43  ?  16  TYR D CE2 1 
ATOM   695 C  CZ  . TYR D 2 16 ? 1.688   9.827  27.291 1.00 41.98  ?  16  TYR D CZ  1 
ATOM   696 O  OH  . TYR D 2 16 ? 1.708   9.479  28.621 1.00 41.92  ?  16  TYR D OH  1 
ATOM   697 N  N   . LEU D 2 17 ? 4.758   10.931 22.890 1.00 43.10  ?  17  LEU D N   1 
ATOM   698 C  CA  . LEU D 2 17 ? 6.081   10.696 23.458 1.00 40.23  ?  17  LEU D CA  1 
ATOM   699 C  C   . LEU D 2 17 ? 6.960   11.935 23.334 1.00 40.22  ?  17  LEU D C   1 
ATOM   700 O  O   . LEU D 2 17 ? 7.512   12.419 24.328 1.00 40.10  ?  17  LEU D O   1 
ATOM   701 C  CB  . LEU D 2 17 ? 6.732   9.496  22.769 1.00 40.58  ?  17  LEU D CB  1 
ATOM   702 C  CG  A LEU D 2 17 ? 6.109   8.134  23.076 0.00 46.79  ?  17  LEU D CG  1 
ATOM   703 C  CG  B LEU D 2 17 ? 7.960   8.869  23.427 1.00 45.66  ?  17  LEU D CG  1 
ATOM   704 C  CD1 A LEU D 2 17 ? 6.975   7.007  22.533 0.00 50.75  ?  17  LEU D CD1 1 
ATOM   705 C  CD1 B LEU D 2 17 ? 7.627   8.386  24.826 1.00 44.16  ?  17  LEU D CD1 1 
ATOM   706 C  CD2 A LEU D 2 17 ? 5.891   7.973  24.572 0.00 45.08  ?  17  LEU D CD2 1 
ATOM   707 C  CD2 B LEU D 2 17 ? 8.484   7.722  22.581 1.00 52.86  ?  17  LEU D CD2 1 
ATOM   708 N  N   . VAL D 2 18 ? 7.071   12.482 22.120 1.00 46.87  ?  18  VAL D N   1 
ATOM   709 C  CA  . VAL D 2 18 ? 8.011   13.572 21.866 1.00 48.60  ?  18  VAL D CA  1 
ATOM   710 C  C   . VAL D 2 18 ? 7.643   14.811 22.675 1.00 41.61  ?  18  VAL D C   1 
ATOM   711 O  O   . VAL D 2 18 ? 8.508   15.443 23.294 1.00 43.69  ?  18  VAL D O   1 
ATOM   712 C  CB  . VAL D 2 18 ? 8.077   13.878 20.357 1.00 41.17  ?  18  VAL D CB  1 
ATOM   713 C  CG1 . VAL D 2 18 ? 8.847   15.168 20.108 1.00 48.34  ?  18  VAL D CG1 1 
ATOM   714 C  CG2 . VAL D 2 18 ? 8.722   12.719 19.604 1.00 40.15  ?  18  VAL D CG2 1 
ATOM   715 N  N   . CYS D 2 19 ? 6.358   15.176 22.692 1.00 41.63  ?  19  CYS D N   1 
ATOM   716 C  CA  . CYS D 2 19 ? 5.946   16.405 23.367 1.00 47.06  ?  19  CYS D CA  1 
ATOM   717 C  C   . CYS D 2 19 ? 6.060   16.265 24.881 1.00 50.12  ?  19  CYS D C   1 
ATOM   718 O  O   . CYS D 2 19 ? 6.798   17.011 25.534 1.00 43.64  ?  19  CYS D O   1 
ATOM   719 C  CB  . CYS D 2 19 ? 4.517   16.775 22.965 1.00 43.04  ?  19  CYS D CB  1 
ATOM   720 S  SG  . CYS D 2 19 ? 4.312   17.103 21.204 1.00 43.46  ?  19  CYS D SG  1 
ATOM   721 N  N   . GLY D 2 20 ? 5.338   15.310 25.457 1.00 63.36  ?  20  GLY D N   1 
ATOM   722 C  CA  . GLY D 2 20 ? 5.397   15.097 26.888 1.00 63.24  ?  20  GLY D CA  1 
ATOM   723 C  C   . GLY D 2 20 ? 4.476   16.011 27.667 1.00 66.03  ?  20  GLY D C   1 
ATOM   724 O  O   . GLY D 2 20 ? 3.262   16.022 27.438 1.00 58.16  ?  20  GLY D O   1 
ATOM   725 N  N   . GLU D 2 21 ? 5.047   16.779 28.599 1.00 62.91  ?  21  GLU D N   1 
ATOM   726 C  CA  . GLU D 2 21 ? 4.247   17.660 29.443 1.00 51.31  ?  21  GLU D CA  1 
ATOM   727 C  C   . GLU D 2 21 ? 3.606   18.793 28.649 1.00 50.09  ?  21  GLU D C   1 
ATOM   728 O  O   . GLU D 2 21 ? 2.567   19.322 29.061 1.00 54.62  ?  21  GLU D O   1 
ATOM   729 C  CB  . GLU D 2 21 ? 5.111   18.230 30.568 0.00 53.08  ?  21  GLU D CB  1 
ATOM   730 C  CG  . GLU D 2 21 ? 5.675   17.181 31.511 0.00 53.09  ?  21  GLU D CG  1 
ATOM   731 C  CD  . GLU D 2 21 ? 6.542   17.779 32.604 0.00 51.34  ?  21  GLU D CD  1 
ATOM   732 O  OE1 . GLU D 2 21 ? 6.859   18.983 32.518 0.00 50.68  ?  21  GLU D OE1 1 
ATOM   733 O  OE2 . GLU D 2 21 ? 6.903   17.046 33.549 0.00 51.01  -1 21  GLU D OE2 1 
ATOM   734 N  N   . ARG D 2 22 ? 4.209   19.186 27.524 1.00 47.51  ?  22  ARG D N   1 
ATOM   735 C  CA  . ARG D 2 22 ? 3.658   20.287 26.738 1.00 44.80  ?  22  ARG D CA  1 
ATOM   736 C  C   . ARG D 2 22 ? 2.326   19.911 26.100 1.00 50.82  ?  22  ARG D C   1 
ATOM   737 O  O   . ARG D 2 22 ? 1.409   20.738 26.033 1.00 49.71  ?  22  ARG D O   1 
ATOM   738 C  CB  . ARG D 2 22 ? 4.662   20.728 25.674 1.00 44.59  ?  22  ARG D CB  1 
ATOM   739 C  CG  . ARG D 2 22 ? 5.493   21.934 26.081 1.00 44.85  ?  22  ARG D CG  1 
ATOM   740 C  CD  . ARG D 2 22 ? 6.484   22.330 24.997 1.00 46.83  ?  22  ARG D CD  1 
ATOM   741 N  NE  . ARG D 2 22 ? 7.544   21.342 24.836 1.00 53.03  ?  22  ARG D NE  1 
ATOM   742 C  CZ  . ARG D 2 22 ? 8.603   21.500 24.054 1.00 55.84  ?  22  ARG D CZ  1 
ATOM   743 N  NH1 . ARG D 2 22 ? 8.780   22.602 23.343 1.00 54.04  ?  22  ARG D NH1 1 
ATOM   744 N  NH2 . ARG D 2 22 ? 9.510   20.530 23.985 1.00 49.25  ?  22  ARG D NH2 1 
ATOM   745 N  N   . GLY D 2 23 ? 2.195   18.674 25.630 1.00 50.45  ?  23  GLY D N   1 
ATOM   746 C  CA  . GLY D 2 23 ? 0.994   18.258 24.936 1.00 39.84  ?  23  GLY D CA  1 
ATOM   747 C  C   . GLY D 2 23 ? 1.003   18.698 23.484 1.00 46.59  ?  23  GLY D C   1 
ATOM   748 O  O   . GLY D 2 23 ? 1.971   19.266 22.975 1.00 42.46  ?  23  GLY D O   1 
ATOM   749 N  N   . PHE D 2 24 ? -0.111  18.432 22.805 1.00 65.28  ?  24  PHE D N   1 
ATOM   750 C  CA  . PHE D 2 24 ? -0.218  18.768 21.392 1.00 56.96  ?  24  PHE D CA  1 
ATOM   751 C  C   . PHE D 2 24 ? -1.684  18.856 20.996 1.00 63.96  ?  24  PHE D C   1 
ATOM   752 O  O   . PHE D 2 24 ? -2.572  18.379 21.707 1.00 64.18  ?  24  PHE D O   1 
ATOM   753 C  CB  . PHE D 2 24 ? 0.511   17.743 20.513 1.00 58.31  ?  24  PHE D CB  1 
ATOM   754 C  CG  . PHE D 2 24 ? -0.056  16.352 20.601 1.00 66.33  ?  24  PHE D CG  1 
ATOM   755 C  CD1 . PHE D 2 24 ? -1.017  15.918 19.701 1.00 69.11  ?  24  PHE D CD1 1 
ATOM   756 C  CD2 . PHE D 2 24 ? 0.376   15.476 21.583 1.00 46.92  ?  24  PHE D CD2 1 
ATOM   757 C  CE1 . PHE D 2 24 ? -1.539  14.641 19.782 1.00 42.35  ?  24  PHE D CE1 1 
ATOM   758 C  CE2 . PHE D 2 24 ? -0.141  14.197 21.668 1.00 45.17  ?  24  PHE D CE2 1 
ATOM   759 C  CZ  . PHE D 2 24 ? -1.100  13.779 20.767 1.00 52.35  ?  24  PHE D CZ  1 
ATOM   760 N  N   . PHE D 2 25 ? -1.917  19.480 19.844 1.00 83.80  ?  25  PHE D N   1 
ATOM   761 C  CA  . PHE D 2 25 ? -3.210  19.482 19.174 1.00 90.62  ?  25  PHE D CA  1 
ATOM   762 C  C   . PHE D 2 25 ? -3.096  18.652 17.904 1.00 91.19  ?  25  PHE D C   1 
ATOM   763 O  O   . PHE D 2 25 ? -2.217  18.903 17.073 1.00 98.80  ?  25  PHE D O   1 
ATOM   764 C  CB  . PHE D 2 25 ? -3.658  20.904 18.826 1.00 94.90  ?  25  PHE D CB  1 
ATOM   765 C  CG  . PHE D 2 25 ? -4.321  21.634 19.959 1.00 96.53  ?  25  PHE D CG  1 
ATOM   766 C  CD1 . PHE D 2 25 ? -3.576  22.125 21.015 1.00 87.47  ?  25  PHE D CD1 1 
ATOM   767 C  CD2 . PHE D 2 25 ? -5.691  21.846 19.956 1.00 104.93 ?  25  PHE D CD2 1 
ATOM   768 C  CE1 . PHE D 2 25 ? -4.183  22.804 22.056 1.00 88.39  ?  25  PHE D CE1 1 
ATOM   769 C  CE2 . PHE D 2 25 ? -6.304  22.526 20.992 1.00 100.87 ?  25  PHE D CE2 1 
ATOM   770 C  CZ  . PHE D 2 25 ? -5.549  23.004 22.044 1.00 89.99  ?  25  PHE D CZ  1 
ATOM   771 N  N   . TYR D 2 26 ? -3.981  17.673 17.751 1.00 69.78  ?  26  TYR D N   1 
ATOM   772 C  CA  . TYR D 2 26 ? -3.963  16.780 16.598 1.00 59.95  ?  26  TYR D CA  1 
ATOM   773 C  C   . TYR D 2 26 ? -5.145  17.116 15.698 1.00 56.47  ?  26  TYR D C   1 
ATOM   774 O  O   . TYR D 2 26 ? -6.294  16.806 16.030 1.00 55.89  ?  26  TYR D O   1 
ATOM   775 C  CB  . TYR D 2 26 ? -4.003  15.317 17.031 1.00 61.03  ?  26  TYR D CB  1 
ATOM   776 C  CG  . TYR D 2 26 ? -4.049  14.353 15.868 1.00 45.48  ?  26  TYR D CG  1 
ATOM   777 C  CD1 . TYR D 2 26 ? -2.897  14.027 15.164 1.00 48.50  ?  26  TYR D CD1 1 
ATOM   778 C  CD2 . TYR D 2 26 ? -5.246  13.774 15.470 1.00 48.54  ?  26  TYR D CD2 1 
ATOM   779 C  CE1 . TYR D 2 26 ? -2.936  13.145 14.098 1.00 48.12  ?  26  TYR D CE1 1 
ATOM   780 C  CE2 . TYR D 2 26 ? -5.295  12.896 14.406 1.00 44.52  ?  26  TYR D CE2 1 
ATOM   781 C  CZ  . TYR D 2 26 ? -4.139  12.583 13.725 1.00 40.65  ?  26  TYR D CZ  1 
ATOM   782 O  OH  . TYR D 2 26 ? -4.187  11.706 12.666 1.00 35.55  ?  26  TYR D OH  1 
ATOM   783 N  N   . THR D 2 27 ? -4.859  17.747 14.561 1.00 46.21  ?  27  THR D N   1 
ATOM   784 C  CA  . THR D 2 27 ? -5.871  18.058 13.564 1.00 47.73  ?  27  THR D CA  1 
ATOM   785 C  C   . THR D 2 27 ? -5.607  17.238 12.312 1.00 48.19  ?  27  THR D C   1 
ATOM   786 O  O   . THR D 2 27 ? -4.530  17.370 11.711 1.00 46.14  ?  27  THR D O   1 
ATOM   787 C  CB  . THR D 2 27 ? -5.871  19.550 13.232 1.00 44.30  ?  27  THR D CB  1 
ATOM   788 O  OG1 . THR D 2 27 ? -4.649  19.892 12.565 1.00 51.83  ?  27  THR D OG1 1 
ATOM   789 C  CG2 . THR D 2 27 ? -5.993  20.375 14.503 1.00 47.62  ?  27  THR D CG2 1 
ATOM   790 N  N   . PRO D 2 28 ? -6.533  16.386 11.887 1.00 46.87  ?  28  PRO D N   1 
ATOM   791 C  CA  . PRO D 2 28 ? -6.320  15.594 10.674 1.00 47.91  ?  28  PRO D CA  1 
ATOM   792 C  C   . PRO D 2 28 ? -6.631  16.407 9.422  1.00 48.62  ?  28  PRO D C   1 
ATOM   793 O  O   . PRO D 2 28 ? -7.157  17.519 9.478  1.00 44.48  ?  28  PRO D O   1 
ATOM   794 C  CB  . PRO D 2 28 ? -7.298  14.420 10.831 1.00 51.26  ?  28  PRO D CB  1 
ATOM   795 C  CG  . PRO D 2 28 ? -8.074  14.686 12.115 1.00 51.06  ?  28  PRO D CG  1 
ATOM   796 C  CD  . PRO D 2 28 ? -7.844  16.111 12.491 1.00 49.95  ?  28  PRO D CD  1 
ATOM   797 N  N   . LYS D 2 29 ? -6.290  15.822 8.279  1.00 54.16  ?  29  LYS D N   1 
ATOM   798 C  CA  . LYS D 2 29 ? -6.534  16.460 6.991  1.00 62.36  ?  29  LYS D CA  1 
ATOM   799 C  C   . LYS D 2 29 ? -8.031  16.582 6.723  1.00 56.36  ?  29  LYS D C   1 
ATOM   800 O  O   . LYS D 2 29 ? -8.475  17.457 5.979  1.00 43.78  ?  29  LYS D O   1 
ATOM   801 C  CB  . LYS D 2 29 ? -5.853  15.675 5.866  0.00 63.89  ?  29  LYS D CB  1 
ATOM   802 C  CG  . LYS D 2 29 ? -6.432  14.288 5.635  0.00 80.02  ?  29  LYS D CG  1 
ATOM   803 C  CD  . LYS D 2 29 ? -7.375  14.273 4.440  0.00 100.24 ?  29  LYS D CD  1 
ATOM   804 C  CE  . LYS D 2 29 ? -8.212  13.010 4.411  0.00 117.83 ?  29  LYS D CE  1 
ATOM   805 N  NZ  . LYS D 2 29 ? -9.086  12.959 3.205  0.00 148.09 ?  29  LYS D NZ  1 
ATOM   806 O  OXT . LYS D 2 29 ? -8.832  15.806 7.245  1.00 54.36  -1 29  LYS D OXT 1 
HETATM 807 C  C1  . IPH E 3 .  ? 9.421   5.958  30.185 1.00 60.33  ?  101 IPH B C1  1 
HETATM 808 C  C2  . IPH E 3 .  ? 9.771   6.621  29.015 1.00 57.73  ?  101 IPH B C2  1 
HETATM 809 C  C3  . IPH E 3 .  ? 9.043   6.408  27.850 1.00 47.31  ?  101 IPH B C3  1 
HETATM 810 C  C4  . IPH E 3 .  ? 7.964   5.532  27.855 1.00 41.99  ?  101 IPH B C4  1 
HETATM 811 C  C5  . IPH E 3 .  ? 7.613   4.869  29.026 1.00 44.15  ?  101 IPH B C5  1 
HETATM 812 C  C6  . IPH E 3 .  ? 8.341   5.082  30.192 1.00 58.17  ?  101 IPH B C6  1 
HETATM 813 O  O1  . IPH E 3 .  ? 10.143  6.172  31.330 1.00 56.74  ?  101 IPH B O1  1 
HETATM 814 ZN ZN  . ZN  F 4 .  ? -0.099  -0.019 27.788 0.30 113.92 ?  102 ZN  B ZN  1 
HETATM 815 CL CL  . CL  G 5 .  ? -0.147  -0.090 30.083 0.33 42.04  ?  103 CL  B CL  1 
HETATM 816 C  C1  . MYR H 6 .  ? 0.475   16.209 36.044 1.00 77.06  ?  104 MYR B C1  1 
HETATM 817 O  O1  . MYR H 6 .  ? 1.362   15.586 36.666 1.00 62.94  ?  104 MYR B O1  1 
HETATM 818 C  C2  . MYR H 6 .  ? -0.983  15.813 36.139 1.00 78.41  ?  104 MYR B C2  1 
HETATM 819 C  C3  . MYR H 6 .  ? -1.543  16.211 37.494 1.00 76.24  ?  104 MYR B C3  1 
HETATM 820 C  C4  . MYR H 6 .  ? -2.348  15.062 38.080 1.00 82.24  ?  104 MYR B C4  1 
HETATM 821 C  C5  . MYR H 6 .  ? -1.454  13.833 38.184 1.00 92.98  ?  104 MYR B C5  1 
HETATM 822 C  C6  . MYR H 6 .  ? -2.105  12.752 39.030 1.00 122.40 ?  104 MYR B C6  1 
HETATM 823 C  C7  . MYR H 6 .  ? -1.182  11.552 39.200 1.00 123.71 ?  104 MYR B C7  1 
HETATM 824 C  C8  . MYR H 6 .  ? -1.803  10.566 40.184 1.00 134.42 ?  104 MYR B C8  1 
HETATM 825 C  C9  . MYR H 6 .  ? -0.901  9.362  40.421 1.00 126.11 ?  104 MYR B C9  1 
HETATM 826 C  C10 . MYR H 6 .  ? -1.373  8.140  39.642 1.00 124.79 ?  104 MYR B C10 1 
HETATM 827 C  C11 . MYR H 6 .  ? -2.584  7.498  40.305 1.00 127.98 ?  104 MYR B C11 1 
HETATM 828 C  C12 . MYR H 6 .  ? -3.260  6.469  39.402 1.00 125.81 ?  104 MYR B C12 1 
HETATM 829 C  C13 . MYR H 6 .  ? -2.315  5.361  38.942 1.00 116.02 ?  104 MYR B C13 1 
HETATM 830 C  C14 . MYR H 6 .  ? -2.956  4.510  37.847 1.00 122.01 ?  104 MYR B C14 1 
HETATM 831 C  C1  . IPH I 3 .  ? -10.639 0.489  11.153 0.63 41.12  ?  101 IPH D C1  1 
HETATM 832 C  C2  . IPH I 3 .  ? -9.350  0.010  10.952 0.63 40.58  ?  101 IPH D C2  1 
HETATM 833 C  C3  . IPH I 3 .  ? -8.407  0.105  11.970 0.63 33.45  ?  101 IPH D C3  1 
HETATM 834 C  C4  . IPH I 3 .  ? -8.754  0.678  13.187 0.63 36.61  ?  101 IPH D C4  1 
HETATM 835 C  C5  . IPH I 3 .  ? -10.044 1.157  13.388 0.63 38.72  ?  101 IPH D C5  1 
HETATM 836 C  C6  . IPH I 3 .  ? -10.987 1.063  12.371 0.63 39.34  ?  101 IPH D C6  1 
HETATM 837 O  O1  . IPH I 3 .  ? -11.568 0.396  10.150 0.63 38.23  ?  101 IPH D O1  1 
HETATM 838 ZN ZN  . ZN  J 4 .  ? -0.073  -0.133 12.681 0.22 33.29  ?  102 ZN  D ZN  1 
HETATM 839 CL CL  . CL  K 5 .  ? 0.015   0.146  9.649  0.00 43.92  ?  103 CL  D CL  1 
HETATM 840 C  C1  . MYR L 6 .  ? -8.785  11.791 2.437  0.00 200.06 ?  104 MYR D C1  1 
HETATM 841 O  O1  . MYR L 6 .  ? -9.691  11.761 1.579  0.00 199.33 ?  104 MYR D O1  1 
HETATM 842 C  C2  . MYR L 6 .  ? -7.349  11.530 2.044  0.00 198.67 ?  104 MYR D C2  1 
HETATM 843 C  C3  . MYR L 6 .  ? -6.859  12.617 1.094  0.00 195.53 ?  104 MYR D C3  1 
HETATM 844 C  C4  . MYR L 6 .  ? -5.499  12.243 0.518  0.00 190.24 ?  104 MYR D C4  1 
HETATM 845 C  C5  . MYR L 6 .  ? -5.644  11.431 -0.764 0.00 191.70 ?  104 MYR D C5  1 
HETATM 846 C  C6  . MYR L 6 .  ? -5.158  9.999  -0.591 0.00 191.96 ?  104 MYR D C6  1 
HETATM 847 C  C7  . MYR L 6 .  ? -4.758  9.406  -1.936 0.00 185.06 ?  104 MYR D C7  1 
HETATM 848 C  C8  . MYR L 6 .  ? -3.662  10.214 -2.621 0.00 176.29 ?  104 MYR D C8  1 
HETATM 849 C  C9  . MYR L 6 .  ? -3.006  9.385  -3.717 0.00 170.98 ?  104 MYR D C9  1 
HETATM 850 C  C10 . MYR L 6 .  ? -2.660  8.006  -3.177 0.00 168.17 ?  104 MYR D C10 1 
HETATM 851 C  C11 . MYR L 6 .  ? -2.965  6.844  -4.111 0.00 163.95 ?  104 MYR D C11 1 
HETATM 852 C  C12 . MYR L 6 .  ? -2.406  5.548  -3.536 0.00 163.08 ?  104 MYR D C12 1 
HETATM 853 C  C13 . MYR L 6 .  ? -3.512  4.563  -3.176 0.00 167.26 ?  104 MYR D C13 1 
HETATM 854 C  C14 . MYR L 6 .  ? -3.900  3.735  -4.395 0.00 181.82 ?  104 MYR D C14 1 
HETATM 855 O  O   . HOH M 7 .  ? 0.661   12.229 29.927 1.00 39.90  ?  201 HOH B O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1   N N   . GLY A 1  ? 0.7477 0.6130 0.6303 0.3438  -0.2709 -0.1021 1  GLY A N   
2   C CA  . GLY A 1  ? 0.8801 0.7533 0.7855 0.3311  -0.2693 -0.0970 1  GLY A CA  
3   C C   . GLY A 1  ? 0.8515 0.7301 0.7617 0.3295  -0.2582 -0.0856 1  GLY A C   
4   O O   . GLY A 1  ? 0.8523 0.7271 0.7456 0.3385  -0.2538 -0.0806 1  GLY A O   
5   N N   . ILE A 2  ? 0.8236 0.7108 0.7565 0.3184  -0.2547 -0.0818 2  ILE A N   
6   C CA  . ILE A 2  ? 0.8403 0.7328 0.7814 0.3160  -0.2445 -0.0718 2  ILE A CA  
7   C C   . ILE A 2  ? 0.8624 0.7526 0.7951 0.3221  -0.2487 -0.0690 2  ILE A C   
8   O O   . ILE A 2  ? 0.8411 0.7299 0.7689 0.3253  -0.2419 -0.0602 2  ILE A O   
9   C CB  . ILE A 2  ? 0.7783 0.6806 0.7451 0.3038  -0.2413 -0.0707 2  ILE A CB  
10  C CG1 . ILE A 2  ? 0.7259 0.6333 0.7019 0.3015  -0.2303 -0.0612 2  ILE A CG1 
11  C CG2 . ILE A 2  ? 0.7069 0.6142 0.6855 0.3000  -0.2522 -0.0781 2  ILE A CG2 
12  C CD1 . ILE A 2  ? 0.6920 0.6084 0.6904 0.2908  -0.2259 -0.0604 2  ILE A CD1 
13  N N   . VAL A 3  ? 0.9895 0.8784 0.9211 0.3235  -0.2608 -0.0760 3  VAL A N   
14  C CA  . VAL A 3  ? 0.9596 0.8453 0.8851 0.3288  -0.2671 -0.0737 3  VAL A CA  
15  C C   . VAL A 3  ? 1.0423 0.9161 0.9375 0.3406  -0.2682 -0.0695 3  VAL A C   
16  O O   . VAL A 3  ? 1.2034 1.0728 1.0912 0.3446  -0.2687 -0.0617 3  VAL A O   
17  C CB  . VAL A 3  ? 0.9822 0.8697 0.9155 0.3275  -0.2806 -0.0832 3  VAL A CB  
18  C CG1 . VAL A 3  ? 1.0027 0.8821 0.9181 0.3327  -0.2894 -0.0916 3  VAL A CG1 
19  C CG2 . VAL A 3  ? 1.1290 1.0144 1.0624 0.3315  -0.2878 -0.0808 3  VAL A CG2 
20  N N   . GLU A 4  ? 1.0116 0.8795 0.8884 0.3468  -0.2694 -0.0746 4  GLU A N   
21  C CA  . GLU A 4  ? 1.1232 0.9802 0.9678 0.3599  -0.2717 -0.0728 4  GLU A CA  
22  C C   . GLU A 4  ? 1.1357 0.9921 0.9715 0.3639  -0.2589 -0.0643 4  GLU A C   
23  O O   . GLU A 4  ? 1.2763 1.1242 1.0832 0.3758  -0.2599 -0.0618 4  GLU A O   
24  C CB  . GLU A 4  ? 1.1144 0.9658 0.9427 0.3670  -0.2800 -0.0846 4  GLU A CB  
25  C CG  . GLU A 4  ? 1.0718 0.9224 0.9068 0.3639  -0.2935 -0.0935 4  GLU A CG  
26  C CD  . GLU A 4  ? 0.8761 0.7317 0.7293 0.3562  -0.2950 -0.1025 4  GLU A CD  
27  O OE1 . GLU A 4  ? 0.9310 0.7887 0.7877 0.3549  -0.2871 -0.1030 4  GLU A OE1 
28  O OE2 . GLU A 4  ? 0.7927 0.6497 0.6571 0.3514  -0.3047 -0.1090 4  GLU A OE2 
29  N N   . GLN A 5  ? 0.9970 0.8621 0.8557 0.3547  -0.2475 -0.0598 5  GLN A N   
30  C CA  . GLN A 5  ? 0.9738 0.8392 0.8274 0.3578  -0.2350 -0.0522 5  GLN A CA  
31  C C   . GLN A 5  ? 1.0387 0.9078 0.9076 0.3510  -0.2272 -0.0406 5  GLN A C   
32  O O   . GLN A 5  ? 1.0598 0.9237 0.9145 0.3571  -0.2222 -0.0315 5  GLN A O   
33  C CB  . GLN A 5  ? 0.8101 0.6810 0.6761 0.3540  -0.2282 -0.0578 5  GLN A CB  
34  C CG  . GLN A 5  ? 0.8330 0.6996 0.6850 0.3619  -0.2359 -0.0701 5  GLN A CG  
35  C CD  . GLN A 5  ? 0.7486 0.6190 0.6120 0.3598  -0.2296 -0.0747 5  GLN A CD  
36  O OE1 . GLN A 5  ? 0.7262 0.6024 0.6078 0.3516  -0.2195 -0.0683 5  GLN A OE1 
37  N NE2 . GLN A 5  ? 0.7620 0.6286 0.6155 0.3675  -0.2364 -0.0864 5  GLN A NE2 
38  N N   . CYS A 6  ? 1.0332 0.9108 0.9298 0.3393  -0.2266 -0.0411 6  CYS A N   
39  C CA  . CYS A 6  ? 0.9080 0.7904 0.8224 0.3327  -0.2186 -0.0320 6  CYS A CA  
40  C C   . CYS A 6  ? 0.8945 0.7748 0.8127 0.3330  -0.2259 -0.0282 6  CYS A C   
41  O O   . CYS A 6  ? 0.8505 0.7329 0.7816 0.3293  -0.2204 -0.0206 6  CYS A O   
42  C CB  . CYS A 6  ? 0.7512 0.6448 0.6934 0.3206  -0.2129 -0.0350 6  CYS A CB  
43  S SG  . CYS A 6  ? 0.6631 0.5586 0.6076 0.3182  -0.2010 -0.0332 6  CYS A SG  
44  N N   . CYS A 7  ? 1.1585 0.7936 0.8726 0.0238  0.5921  0.0143  7  CYS A N   
45  C CA  . CYS A 7  ? 1.3343 0.9891 1.0413 0.0320  0.5944  0.0202  7  CYS A CA  
46  C C   . CYS A 7  ? 1.5091 1.1697 1.1883 0.0308  0.5991  0.0258  7  CYS A C   
47  O O   . CYS A 7  ? 1.5665 1.2325 1.2320 0.0430  0.6022  0.0354  7  CYS A O   
48  C CB  . CYS A 7  ? 1.4296 1.1139 1.1462 0.0274  0.5963  0.0084  7  CYS A CB  
49  S SG  . CYS A 7  ? 1.1415 0.8213 0.8838 0.0348  0.5930  0.0069  7  CYS A SG  
50  N N   . THR A 8  ? 1.6992 1.3554 1.3658 0.0175  0.6008  0.0203  8  THR A N   
51  C CA  . THR A 8  ? 1.6135 1.2661 1.2487 0.0138  0.6051  0.0264  8  THR A CA  
52  C C   . THR A 8  ? 1.4249 1.0502 1.0546 0.0159  0.6046  0.0353  8  THR A C   
53  O O   . THR A 8  ? 1.5166 1.1318 1.1160 0.0129  0.6083  0.0424  8  THR A O   
54  C CB  . THR A 8  ? 1.9091 1.5719 1.5300 -0.0043 0.6087  0.0141  8  THR A CB  
55  O OG1 . THR A 8  ? 1.8417 1.4862 1.4721 -0.0112 0.6085  0.0081  8  THR A OG1 
56  C CG2 . THR A 8  ? 2.3155 2.0048 1.9466 -0.0111 0.6093  0.0015  8  THR A CG2 
57  N N   . SER A 9  ? 1.3647 0.9780 1.0202 0.0195  0.6009  0.0347  9  SER A N   
58  C CA  . SER A 9  ? 1.3507 0.9444 1.0063 0.0215  0.6011  0.0421  9  SER A CA  
59  C C   . SER A 9  ? 1.2952 0.8805 0.9750 0.0318  0.5963  0.0459  9  SER A C   
60  O O   . SER A 9  ? 1.1705 0.7607 0.8709 0.0331  0.5930  0.0390  9  SER A O   
61  C CB  . SER A 9  ? 1.2578 0.8491 0.9181 0.0110  0.6046  0.0338  9  SER A CB  
62  O OG  . SER A 9  ? 1.1951 0.7867 0.8819 0.0131  0.6026  0.0258  9  SER A OG  
63  N N   . ILE A 10 ? 1.3338 0.9024 1.0061 0.0372  0.5965  0.0568  10 ILE A N   
64  C CA  . ILE A 10 ? 1.2049 0.7627 0.8953 0.0457  0.5926  0.0610  10 ILE A CA  
65  C C   . ILE A 10 ? 1.1832 0.7420 0.8986 0.0417  0.5907  0.0534  10 ILE A C   
66  O O   . ILE A 10 ? 1.1880 0.7479 0.9044 0.0350  0.5942  0.0507  10 ILE A O   
67  C CB  . ILE A 10 ? 1.2509 0.7863 0.9221 0.0495  0.5946  0.0735  10 ILE A CB  
68  C CG1 . ILE A 10 ? 1.3571 0.8844 0.9955 0.0576  0.5982  0.0833  10 ILE A CG1 
69  C CG2 . ILE A 10 ? 1.2075 0.7298 0.8948 0.0565  0.5913  0.0771  10 ILE A CG2 
70  C CD1 . ILE A 10 ? 1.3545 0.8490 0.9633 0.0619  0.6011  0.0966  10 ILE A CD1 
71  N N   . CYS A 11 ? 1.1595 0.7171 0.8928 0.0463  0.5867  0.0499  11 CYS A N   
72  C CA  . CYS A 11 ? 1.1244 0.6773 0.8757 0.0456  0.5860  0.0445  11 CYS A CA  
73  C C   . CYS A 11 ? 1.1167 0.6558 0.8761 0.0505  0.5843  0.0516  11 CYS A C   
74  O O   . CYS A 11 ? 1.1140 0.6430 0.8714 0.0558  0.5815  0.0571  11 CYS A O   
75  C CB  . CYS A 11 ? 1.1164 0.6687 0.8745 0.0453  0.5841  0.0362  11 CYS A CB  
76  S SG  . CYS A 11 ? 1.1278 0.6879 0.8796 0.0367  0.5888  0.0240  11 CYS A SG  
77  N N   . SER A 12 ? 1.1155 0.6561 0.8839 0.0485  0.5873  0.0507  12 SER A N   
78  C CA  . SER A 12 ? 1.1366 0.6672 0.9135 0.0513  0.5866  0.0556  12 SER A CA  
79  C C   . SER A 12 ? 1.1365 0.6552 0.9233 0.0569  0.5842  0.0531  12 SER A C   
80  O O   . SER A 12 ? 1.0979 0.6160 0.8853 0.0574  0.5843  0.0465  12 SER A O   
81  C CB  . SER A 12 ? 1.1268 0.6704 0.9123 0.0464  0.5925  0.0541  12 SER A CB  
82  O OG  . SER A 12 ? 1.1189 0.6572 0.9119 0.0471  0.5928  0.0584  12 SER A OG  
83  N N   . LEU A 13 ? 1.0581 1.1910 0.7334 -0.1513 0.2088  -0.1765 13 LEU A N   
84  C CA  . LEU A 13 ? 1.0558 1.1831 0.7298 -0.1431 0.2072  -0.1761 13 LEU A CA  
85  C C   . LEU A 13 ? 1.0763 1.1932 0.7417 -0.1354 0.2122  -0.1812 13 LEU A C   
86  O O   . LEU A 13 ? 1.0718 1.1780 0.7296 -0.1324 0.2112  -0.1806 13 LEU A O   
87  C CB  . LEU A 13 ? 1.0753 1.2144 0.7622 -0.1362 0.2052  -0.1756 13 LEU A CB  
88  C CG  . LEU A 13 ? 1.0052 1.1511 0.6992 -0.1415 0.1989  -0.1696 13 LEU A CG  
89  C CD1 . LEU A 13 ? 1.0052 1.1399 0.6910 -0.1448 0.1952  -0.1656 13 LEU A CD1 
90  C CD2 . LEU A 13 ? 0.9983 1.1531 0.6973 -0.1515 0.1975  -0.1675 13 LEU A CD2 
91  N N   . TYR A 14 ? 0.9693 1.0893 0.6362 -0.1319 0.2177  -0.1862 14 TYR A N   
92  C CA  . TYR A 14 ? 0.9560 1.0665 0.6153 -0.1246 0.2226  -0.1912 14 TYR A CA  
93  C C   . TYR A 14 ? 1.0896 1.1863 0.7347 -0.1306 0.2235  -0.1909 14 TYR A C   
94  O O   . TYR A 14 ? 1.1571 1.2429 0.7942 -0.1254 0.2249  -0.1928 14 TYR A O   
95  C CB  . TYR A 14 ? 0.9240 1.0412 0.5885 -0.1204 0.2284  -0.1965 14 TYR A CB  
96  C CG  . TYR A 14 ? 0.9367 1.0446 0.5941 -0.1128 0.2337  -0.2019 14 TYR A CG  
97  C CD1 . TYR A 14 ? 0.9504 1.0504 0.5982 -0.1168 0.2381  -0.2045 14 TYR A CD1 
98  C CD2 . TYR A 14 ? 0.9315 1.0378 0.5914 -0.1016 0.2342  -0.2042 14 TYR A CD2 
99  C CE1 . TYR A 14 ? 0.9621 1.0535 0.6036 -0.1099 0.2428  -0.2093 14 TYR A CE1 
100 C CE2 . TYR A 14 ? 0.9464 1.0441 0.6001 -0.0945 0.2388  -0.2091 14 TYR A CE2 
101 C CZ  . TYR A 14 ? 0.9459 1.0363 0.5905 -0.0987 0.2431  -0.2116 14 TYR A CZ  
102 O OH  . TYR A 14 ? 0.9469 1.0289 0.5857 -0.0916 0.2477  -0.2164 14 TYR A OH  
103 N N   . GLN A 15 ? 1.0313 1.1280 0.6732 -0.1417 0.2227  -0.1886 15 GLN A N   
104 C CA  . GLN A 15 ? 0.9971 1.0807 0.6256 -0.1483 0.2230  -0.1879 15 GLN A CA  
105 C C   . GLN A 15 ? 1.0341 1.1093 0.6576 -0.1489 0.2182  -0.1839 15 GLN A C   
106 O O   . GLN A 15 ? 1.1226 1.1851 0.7348 -0.1505 0.2190  -0.1843 15 GLN A O   
107 C CB  . GLN A 15 ? 0.9215 1.0073 0.5483 -0.1604 0.2224  -0.1859 15 GLN A CB  
108 C CG  . GLN A 15 ? 0.8933 0.9828 0.5205 -0.1608 0.2282  -0.1905 15 GLN A CG  
109 C CD  . GLN A 15 ? 0.9974 1.0778 0.6131 -0.1702 0.2301  -0.1908 15 GLN A CD  
110 O OE1 . GLN A 15 ? 0.9528 1.0368 0.5691 -0.1800 0.2281  -0.1882 15 GLN A OE1 
111 N NE2 . GLN A 15 ? 1.0402 1.1083 0.6450 -0.1674 0.2337  -0.1939 15 GLN A NE2 
112 N N   . LEU A 16 ? 1.0403 1.1222 0.6721 -0.1477 0.2134  -0.1801 16 LEU A N   
113 C CA  . LEU A 16 ? 0.9981 1.0726 0.6264 -0.1465 0.2094  -0.1767 16 LEU A CA  
114 C C   . LEU A 16 ? 1.0349 1.1035 0.6609 -0.1345 0.2114  -0.1800 16 LEU A C   
115 O O   . LEU A 16 ? 1.1011 1.1597 0.7205 -0.1332 0.2093  -0.1783 16 LEU A O   
116 C CB  . LEU A 16 ? 0.9124 0.9961 0.5505 -0.1491 0.2037  -0.1715 16 LEU A CB  
117 C CG  . LEU A 16 ? 0.8436 0.9301 0.4825 -0.1618 0.1998  -0.1667 16 LEU A CG  
118 C CD1 . LEU A 16 ? 0.8060 0.8794 0.4320 -0.1694 0.2000  -0.1658 16 LEU A CD1 
119 C CD2 . LEU A 16 ? 0.8773 0.9759 0.5239 -0.1660 0.2010  -0.1675 16 LEU A CD2 
120 N N   . GLU A 17 ? 1.0487 1.1234 0.6805 -0.1258 0.2151  -0.1846 17 GLU A N   
121 C CA  . GLU A 17 ? 1.1958 1.2654 0.8263 -0.1142 0.2169  -0.1879 17 GLU A CA  
122 C C   . GLU A 17 ? 1.3763 1.4318 0.9941 -0.1128 0.2200  -0.1907 17 GLU A C   
123 O O   . GLU A 17 ? 1.3902 1.4382 1.0041 -0.1051 0.2198  -0.1920 17 GLU A O   
124 C CB  . GLU A 17 ? 1.1244 1.2038 0.7642 -0.1058 0.2205  -0.1924 17 GLU A CB  
125 C CG  . GLU A 17 ? 1.0997 1.1932 0.7529 -0.1054 0.2175  -0.1901 17 GLU A CG  
126 C CD  . GLU A 17 ? 1.2096 1.3063 0.8694 -0.0937 0.2174  -0.1921 17 GLU A CD  
127 O OE1 . GLU A 17 ? 1.2005 1.2876 0.8540 -0.0863 0.2187  -0.1947 17 GLU A OE1 
128 O OE2 . GLU A 17 ? 1.1607 1.2693 0.8319 -0.0920 0.2157  -0.1912 17 GLU A OE2 
129 N N   . ASN A 18 ? 1.3138 1.3655 0.9248 -0.1200 0.2227  -0.1919 18 ASN A N   
130 C CA  . ASN A 18 ? 1.3198 1.3588 0.9192 -0.1185 0.2263  -0.1952 18 ASN A CA  
131 C C   . ASN A 18 ? 1.3301 1.3569 0.9204 -0.1200 0.2230  -0.1923 18 ASN A C   
132 O O   . ASN A 18 ? 1.4046 1.4209 0.9865 -0.1156 0.2254  -0.1951 18 ASN A O   
133 C CB  . ASN A 18 ? 1.3401 1.3778 0.9343 -0.1270 0.2297  -0.1965 18 ASN A CB  
134 C CG  . ASN A 18 ? 1.3358 1.3845 0.9381 -0.1251 0.2338  -0.2000 18 ASN A CG  
135 O OD1 . ASN A 18 ? 1.3069 1.3612 0.9164 -0.1154 0.2359  -0.2033 18 ASN A OD1 
136 N ND2 . ASN A 18 ? 1.4029 1.4547 1.0044 -0.1343 0.2348  -0.1994 18 ASN A ND2 
137 N N   . TYR A 19 ? 1.2840 1.3119 0.8761 -0.1261 0.2176  -0.1867 19 TYR A N   
138 C CA  . TYR A 19 ? 1.2639 1.2804 0.8478 -0.1286 0.2144  -0.1835 19 TYR A CA  
139 C C   . TYR A 19 ? 1.1129 1.1288 0.7006 -0.1203 0.2114  -0.1821 19 TYR A C   
140 O O   . TYR A 19 ? 1.2070 1.2155 0.7903 -0.1228 0.2078  -0.1785 19 TYR A O   
141 C CB  . TYR A 19 ? 1.1831 1.1996 0.7657 -0.1414 0.2105  -0.1781 19 TYR A CB  
142 C CG  . TYR A 19 ? 1.0162 1.0329 0.5947 -0.1500 0.2132  -0.1793 19 TYR A CG  
143 C CD1 . TYR A 19 ? 1.1049 1.1336 0.6915 -0.1540 0.2136  -0.1792 19 TYR A CD1 
144 C CD2 . TYR A 19 ? 0.8951 0.8996 0.4614 -0.1542 0.2153  -0.1807 19 TYR A CD2 
145 C CE1 . TYR A 19 ? 1.0014 1.0298 0.5839 -0.1619 0.2161  -0.1803 19 TYR A CE1 
146 C CE2 . TYR A 19 ? 0.8273 0.8312 0.3892 -0.1622 0.2178  -0.1818 19 TYR A CE2 
147 C CZ  . TYR A 19 ? 0.9082 0.9240 0.4782 -0.1660 0.2182  -0.1817 19 TYR A CZ  
148 O OH  . TYR A 19 ? 0.9999 1.0149 0.5653 -0.1740 0.2207  -0.1828 19 TYR A OH  
149 N N   . CYS A 20 ? 1.0843 1.1077 0.6800 -0.1107 0.2127  -0.1849 20 CYS A N   
150 C CA  . CYS A 20 ? 0.9743 0.9969 0.5733 -0.1022 0.2102  -0.1841 20 CYS A CA  
151 C C   . CYS A 20 ? 0.9335 0.9448 0.5245 -0.0937 0.2124  -0.1879 20 CYS A C   
152 O O   . CYS A 20 ? 0.9768 0.9851 0.5638 -0.0907 0.2170  -0.1926 20 CYS A O   
153 C CB  . CYS A 20 ? 0.8837 0.9193 0.4949 -0.0956 0.2104  -0.1855 20 CYS A CB  
154 S SG  . CYS A 20 ? 0.7615 0.8111 0.3836 -0.1043 0.2067  -0.1806 20 CYS A SG  
155 N N   . ASN A 21 ? 0.8894 0.8943 0.4783 -0.0899 0.2091  -0.1857 21 ASN A N   
156 C CA  . ASN A 21 ? 0.8735 0.8679 0.4555 -0.0813 0.2105  -0.1889 21 ASN A CA  
157 C C   . ASN A 21 ? 0.7968 0.7963 0.3848 -0.0696 0.2130  -0.1937 21 ASN A C   
158 O O   . ASN A 21 ? 0.8683 0.8609 0.4517 -0.0619 0.2155  -0.1979 21 ASN A O   
159 C CB  . ASN A 21 ? 0.8826 0.8691 0.4612 -0.0807 0.2062  -0.1850 21 ASN A CB  
160 C CG  . ASN A 21 ? 0.9823 0.9625 0.5545 -0.0921 0.2038  -0.1804 21 ASN A CG  
161 O OD1 . ASN A 21 ? 1.0436 1.0262 0.6147 -0.1010 0.2048  -0.1796 21 ASN A OD1 
162 N ND2 . ASN A 21 ? 0.9692 0.9408 0.5372 -0.0920 0.2006  -0.1773 21 ASN A ND2 
163 O OXT . ASN A 21 ? 0.7861 0.7969 0.3842 -0.0676 0.2125  -0.1936 21 ASN A OXT 
164 N N   . PHE B 1  ? 0.8175 1.0127 0.6066 -0.0057 -0.2968 -0.0655 1  PHE B N   
165 C CA  . PHE B 1  ? 0.8995 1.0953 0.6709 0.0086  -0.2858 -0.0470 1  PHE B CA  
166 C C   . PHE B 1  ? 0.9389 1.1279 0.7286 0.0073  -0.2707 -0.0353 1  PHE B C   
167 O O   . PHE B 1  ? 0.9114 1.0835 0.7041 -0.0058 -0.2547 -0.0305 1  PHE B O   
168 C CB  . PHE B 1  ? 0.9145 1.0935 0.6527 0.0048  -0.2720 -0.0369 1  PHE B CB  
169 C CG  . PHE B 1  ? 0.9799 1.1640 0.6945 0.0189  -0.2703 -0.0214 1  PHE B CG  
170 C CD1 . PHE B 1  ? 0.9598 1.1628 0.6849 0.0325  -0.2739 -0.0124 1  PHE B CD1 
171 C CD2 . PHE B 1  ? 0.9661 1.1377 0.6483 0.0171  -0.2643 -0.0145 1  PHE B CD2 
172 C CE1 . PHE B 1  ? 1.0608 1.2729 0.7657 0.0416  -0.2707 0.0062  1  PHE B CE1 
173 C CE2 . PHE B 1  ? 0.9617 1.1377 0.6223 0.0272  -0.2621 0.0023  1  PHE B CE2 
174 C CZ  . PHE B 1  ? 0.9991 1.1960 0.6715 0.0384  -0.2653 0.0140  1  PHE B CZ  
175 N N   . VAL B 2  ? 0.9294 1.1324 0.7296 0.0216  -0.2769 -0.0308 2  VAL B N   
176 C CA  . VAL B 2  ? 0.9933 1.1897 0.8094 0.0207  -0.2649 -0.0221 2  VAL B CA  
177 C C   . VAL B 2  ? 0.9457 1.1176 0.7419 0.0169  -0.2445 -0.0045 2  VAL B C   
178 O O   . VAL B 2  ? 0.9034 1.0606 0.7071 0.0084  -0.2321 0.0003  2  VAL B O   
179 C CB  . VAL B 2  ? 1.0579 1.2756 0.8894 0.0377  -0.2764 -0.0214 2  VAL B CB  
180 C CG1 . VAL B 2  ? 1.0166 1.2270 0.8672 0.0346  -0.2668 -0.0173 2  VAL B CG1 
181 C CG2 . VAL B 2  ? 1.0020 1.2326 0.8531 0.0427  -0.3054 -0.0394 2  VAL B CG2 
182 N N   . ASN B 3  ? 1.0263 1.1929 0.7975 0.0227  -0.2424 0.0049  3  ASN B N   
183 C CA  . ASN B 3  ? 1.0828 1.2221 0.8391 0.0181  -0.2262 0.0193  3  ASN B CA  
184 C C   . ASN B 3  ? 1.0340 1.1505 0.7948 -0.0005 -0.2131 0.0179  3  ASN B C   
185 O O   . ASN B 3  ? 0.9680 1.0624 0.7336 -0.0086 -0.1984 0.0272  3  ASN B O   
186 C CB  . ASN B 3  ? 1.1426 1.2792 0.8722 0.0249  -0.2269 0.0282  3  ASN B CB  
187 C CG  . ASN B 3  ? 1.2649 1.3788 0.9846 0.0260  -0.2142 0.0438  3  ASN B CG  
188 O OD1 . ASN B 3  ? 1.1422 1.2358 0.8744 0.0168  -0.2022 0.0462  3  ASN B OD1 
189 N ND2 . ASN B 3  ? 1.2679 1.3835 0.9674 0.0346  -0.2157 0.0548  3  ASN B ND2 
190 N N   . GLN B 4  ? 1.0387 1.1607 0.8003 -0.0085 -0.2179 0.0068  4  GLN B N   
191 C CA  . GLN B 4  ? 1.0205 1.1239 0.7897 -0.0267 -0.2040 0.0076  4  GLN B CA  
192 C C   . GLN B 4  ? 0.8978 0.9997 0.6884 -0.0337 -0.1965 0.0093  4  GLN B C   
193 O O   . GLN B 4  ? 0.8543 0.9363 0.6483 -0.0448 -0.1817 0.0183  4  GLN B O   
194 C CB  . GLN B 4  ? 1.1275 1.2401 0.8940 -0.0335 -0.2117 -0.0063 4  GLN B CB  
195 C CG  . GLN B 4  ? 1.1174 1.2164 0.8943 -0.0514 -0.1982 -0.0058 4  GLN B CG  
196 C CD  . GLN B 4  ? 0.9757 1.0905 0.7619 -0.0589 -0.2074 -0.0237 4  GLN B CD  
197 O OE1 . GLN B 4  ? 0.8995 1.0353 0.6870 -0.0514 -0.2265 -0.0387 4  GLN B OE1 
198 N NE2 . GLN B 4  ? 0.9596 1.0639 0.7533 -0.0742 -0.1953 -0.0233 4  GLN B NE2 
199 N N   . HIS B 5  ? 0.9072 1.0310 0.7122 -0.0272 -0.2080 0.0001  5  HIS B N   
200 C CA  . HIS B 5  ? 0.7407 0.8642 0.5632 -0.0336 -0.2012 0.0010  5  HIS B CA  
201 C C   . HIS B 5  ? 0.6784 0.7854 0.4966 -0.0313 -0.1901 0.0144  5  HIS B C   
202 O O   . HIS B 5  ? 0.5720 0.6658 0.3946 -0.0415 -0.1781 0.0201  5  HIS B O   
203 C CB  . HIS B 5  ? 0.7390 0.8903 0.5811 -0.0263 -0.2185 -0.0136 5  HIS B CB  
204 C CG  . HIS B 5  ? 0.6047 0.7577 0.4651 -0.0342 -0.2124 -0.0150 5  HIS B CG  
205 N ND1 . HIS B 5  ? 0.5853 0.7355 0.4476 -0.0283 -0.2085 -0.0084 5  HIS B ND1 
206 C CD2 . HIS B 5  ? 0.4416 0.5990 0.3177 -0.0481 -0.2092 -0.0226 5  HIS B CD2 
207 C CE1 . HIS B 5  ? 0.5916 0.7442 0.4678 -0.0381 -0.2035 -0.0118 5  HIS B CE1 
208 N NE2 . HIS B 5  ? 0.5601 0.7176 0.4455 -0.0503 -0.2033 -0.0200 5  HIS B NE2 
209 N N   . LEU B 6  ? 0.7082 0.8161 0.5164 -0.0179 -0.1947 0.0190  6  LEU B N   
210 C CA  . LEU B 6  ? 0.6978 0.7906 0.5026 -0.0160 -0.1856 0.0292  6  LEU B CA  
211 C C   . LEU B 6  ? 0.6279 0.6933 0.4273 -0.0293 -0.1712 0.0379  6  LEU B C   
212 O O   . LEU B 6  ? 0.6247 0.6775 0.4282 -0.0369 -0.1623 0.0423  6  LEU B O   
213 C CB  . LEU B 6  ? 0.6558 0.7566 0.4500 0.0012  -0.1935 0.0333  6  LEU B CB  
214 C CG  . LEU B 6  ? 0.7417 0.8744 0.5421 0.0176  -0.2113 0.0258  6  LEU B CG  
215 C CD1 . LEU B 6  ? 0.7867 0.9244 0.5783 0.0326  -0.2130 0.0365  6  LEU B CD1 
216 C CD2 . LEU B 6  ? 0.7012 0.8455 0.5234 0.0162  -0.2145 0.0177  6  LEU B CD2 
217 N N   . CYS B 7  ? 0.9089 0.9662 0.6988 -0.0318 -0.1702 0.0396  7  CYS B N   
218 C CA  . CYS B 7  ? 0.7564 0.7906 0.5449 -0.0435 -0.1590 0.0465  7  CYS B CA  
219 C C   . CYS B 7  ? 0.7466 0.7760 0.5456 -0.0574 -0.1520 0.0466  7  CYS B C   
220 O O   . CYS B 7  ? 0.6525 0.6670 0.4551 -0.0659 -0.1441 0.0525  7  CYS B O   
221 C CB  . CYS B 7  ? 0.8553 0.8832 0.6305 -0.0427 -0.1602 0.0472  7  CYS B CB  
222 S SG  . CYS B 7  ? 1.1364 1.1392 0.9124 -0.0556 -0.1489 0.0541  7  CYS B SG  
223 N N   . GLY B 8  ? 0.6215 0.6645 0.4246 -0.0596 -0.1558 0.0398  8  GLY B N   
224 C CA  . GLY B 8  ? 0.5526 0.5917 0.3633 -0.0718 -0.1490 0.0409  8  GLY B CA  
225 C C   . GLY B 8  ? 0.5212 0.5577 0.3370 -0.0742 -0.1445 0.0445  8  GLY B C   
226 O O   . GLY B 8  ? 0.5549 0.5796 0.3719 -0.0838 -0.1371 0.0502  8  GLY B O   
227 N N   . SER B 9  ? 0.5215 0.5693 0.3387 -0.0646 -0.1500 0.0408  9  SER B N   
228 C CA  . SER B 9  ? 0.5947 0.6389 0.4126 -0.0661 -0.1458 0.0432  9  SER B CA  
229 C C   . SER B 9  ? 0.7106 0.7358 0.5228 -0.0687 -0.1401 0.0506  9  SER B C   
230 O O   . SER B 9  ? 0.7358 0.7538 0.5454 -0.0738 -0.1358 0.0529  9  SER B O   
231 C CB  . SER B 9  ? 0.6656 0.7277 0.4869 -0.0539 -0.1543 0.0364  9  SER B CB  
232 O OG  . SER B 9  ? 0.7374 0.8040 0.5548 -0.0412 -0.1616 0.0361  9  SER B OG  
233 N N   . HIS B 10 ? 0.5526 0.5703 0.3617 -0.0656 -0.1411 0.0531  10 HIS B N   
234 C CA  . HIS B 10 ? 0.6536 0.6542 0.4599 -0.0704 -0.1368 0.0584  10 HIS B CA  
235 C C   . HIS B 10 ? 0.6973 0.6876 0.5070 -0.0818 -0.1324 0.0626  10 HIS B C   
236 O O   . HIS B 10 ? 0.7326 0.7122 0.5424 -0.0879 -0.1302 0.0663  10 HIS B O   
237 C CB  . HIS B 10 ? 0.7262 0.7231 0.5266 -0.0621 -0.1398 0.0593  10 HIS B CB  
238 C CG  . HIS B 10 ? 0.7090 0.7117 0.5045 -0.0506 -0.1437 0.0579  10 HIS B CG  
239 N ND1 . HIS B 10 ? 0.7225 0.7142 0.5136 -0.0510 -0.1415 0.0602  10 HIS B ND1 
240 C CD2 . HIS B 10 ? 0.7414 0.7611 0.5355 -0.0378 -0.1506 0.0546  10 HIS B CD2 
241 C CE1 . HIS B 10 ? 0.7167 0.7167 0.5031 -0.0387 -0.1455 0.0593  10 HIS B CE1 
242 N NE2 . HIS B 10 ? 0.7669 0.7852 0.5560 -0.0298 -0.1515 0.0563  10 HIS B NE2 
243 N N   . LEU B 11 ? 0.7208 0.7155 0.5328 -0.0842 -0.1325 0.0615  11 LEU B N   
244 C CA  . LEU B 11 ? 0.6483 0.6343 0.4634 -0.0935 -0.1289 0.0658  11 LEU B CA  
245 C C   . LEU B 11 ? 0.6776 0.6622 0.4946 -0.1009 -0.1263 0.0687  11 LEU B C   
246 O O   . LEU B 11 ? 0.6668 0.6431 0.4854 -0.1069 -0.1252 0.0737  11 LEU B O   
247 C CB  . LEU B 11 ? 0.6923 0.6824 0.5060 -0.0937 -0.1297 0.0631  11 LEU B CB  
248 C CG  . LEU B 11 ? 0.6828 0.6662 0.4915 -0.0914 -0.1304 0.0635  11 LEU B CG  
249 C CD1 . LEU B 11 ? 0.6803 0.6526 0.4935 -0.0991 -0.1268 0.0690  11 LEU B CD1 
250 C CD2 . LEU B 11 ? 0.6822 0.6635 0.4860 -0.0836 -0.1328 0.0635  11 LEU B CD2 
251 N N   . VAL B 12 ? 0.7298 0.7234 0.5454 -0.0998 -0.1262 0.0654  12 VAL B N   
252 C CA  . VAL B 12 ? 0.7530 0.7441 0.5656 -0.1066 -0.1235 0.0682  12 VAL B CA  
253 C C   . VAL B 12 ? 0.6918 0.6744 0.4988 -0.1080 -0.1237 0.0713  12 VAL B C   
254 O O   . VAL B 12 ? 0.7150 0.6909 0.5178 -0.1138 -0.1235 0.0760  12 VAL B O   
255 C CB  . VAL B 12 ? 0.7339 0.7374 0.5450 -0.1053 -0.1234 0.0630  12 VAL B CB  
256 C CG1 A VAL B 12 ? 0.6693 0.6816 0.4848 -0.1068 -0.1244 0.0590  12 VAL B CG1 
257 C CG1 B VAL B 12 ? 0.7294 0.7281 0.5322 -0.1121 -0.1197 0.0661  12 VAL B CG1 
258 C CG2 A VAL B 12 ? 0.6894 0.7022 0.5004 -0.0960 -0.1268 0.0575  12 VAL B CG2 
259 C CG2 B VAL B 12 ? 0.6496 0.6630 0.4655 -0.1054 -0.1251 0.0583  12 VAL B CG2 
260 N N   . GLU B 13 ? 0.6417 0.6247 0.4463 -0.1023 -0.1252 0.0685  13 GLU B N   
261 C CA  . GLU B 13 ? 0.7097 0.6841 0.5064 -0.1045 -0.1260 0.0701  13 GLU B CA  
262 C C   . GLU B 13 ? 0.7439 0.7100 0.5441 -0.1084 -0.1281 0.0745  13 GLU B C   
263 O O   . GLU B 13 ? 0.7616 0.7219 0.5553 -0.1130 -0.1305 0.0773  13 GLU B O   
264 C CB  . GLU B 13 ? 0.6651 0.6415 0.4572 -0.0972 -0.1269 0.0656  13 GLU B CB  
265 C CG  . GLU B 13 ? 0.8027 0.7773 0.5994 -0.0913 -0.1291 0.0651  13 GLU B CG  
266 C CD  . GLU B 13 ? 0.7900 0.7658 0.5802 -0.0831 -0.1306 0.0615  13 GLU B CD  
267 O OE1 . GLU B 13 ? 1.0006 0.9816 0.7849 -0.0808 -0.1300 0.0584  13 GLU B OE1 
268 O OE2 . GLU B 13 ? 0.8126 0.7837 0.6024 -0.0788 -0.1323 0.0620  13 GLU B OE2 
269 N N   . ALA B 14 ? 0.7201 0.6864 0.5288 -0.1063 -0.1282 0.0748  14 ALA B N   
270 C CA  . ALA B 14 ? 0.7216 0.6819 0.5348 -0.1101 -0.1301 0.0790  14 ALA B CA  
271 C C   . ALA B 14 ? 0.6945 0.6548 0.5103 -0.1158 -0.1311 0.0840  14 ALA B C   
272 O O   . ALA B 14 ? 0.6878 0.6456 0.5035 -0.1192 -0.1352 0.0884  14 ALA B O   
273 C CB  . ALA B 14 ? 0.7641 0.7241 0.5821 -0.1063 -0.1293 0.0778  14 ALA B CB  
274 N N   . LEU B 15 ? 0.6628 0.6270 0.4800 -0.1162 -0.1286 0.0838  15 LEU B N   
275 C CA  . LEU B 15 ? 0.6282 0.5919 0.4457 -0.1201 -0.1298 0.0892  15 LEU B CA  
276 C C   . LEU B 15 ? 0.6102 0.5724 0.4162 -0.1220 -0.1325 0.0919  15 LEU B C   
277 O O   . LEU B 15 ? 0.7268 0.6878 0.5303 -0.1233 -0.1373 0.0982  15 LEU B O   
278 C CB  . LEU B 15 ? 0.5811 0.5480 0.4000 -0.1207 -0.1262 0.0877  15 LEU B CB  
279 C CG  . LEU B 15 ? 0.6886 0.6564 0.5133 -0.1191 -0.1245 0.0848  15 LEU B CG  
280 C CD1 . LEU B 15 ? 1.0117 0.9809 0.8353 -0.1219 -0.1222 0.0845  15 LEU B CD1 
281 C CD2 . LEU B 15 ? 0.8262 0.7899 0.6567 -0.1190 -0.1265 0.0882  15 LEU B CD2 
282 N N   . TYR B 16 ? 0.6476 0.6103 0.4445 -0.1211 -0.1303 0.0876  16 TYR B N   
283 C CA  . TYR B 16 ? 0.5871 0.5464 0.3670 -0.1227 -0.1321 0.0895  16 TYR B CA  
284 C C   . TYR B 16 ? 0.5951 0.5505 0.3688 -0.1241 -0.1388 0.0923  16 TYR B C   
285 O O   . TYR B 16 ? 0.6216 0.5750 0.3832 -0.1253 -0.1441 0.0979  16 TYR B O   
286 C CB  . TYR B 16 ? 0.5979 0.5586 0.3687 -0.1211 -0.1279 0.0833  16 TYR B CB  
287 C CG  . TYR B 16 ? 0.6280 0.5826 0.3757 -0.1228 -0.1287 0.0841  16 TYR B CG  
288 C CD1 . TYR B 16 ? 0.6610 0.6119 0.3935 -0.1243 -0.1275 0.0886  16 TYR B CD1 
289 C CD2 . TYR B 16 ? 0.5730 0.5236 0.3099 -0.1226 -0.1304 0.0804  16 TYR B CD2 
290 C CE1 . TYR B 16 ? 0.6535 0.5963 0.3582 -0.1251 -0.1276 0.0898  16 TYR B CE1 
291 C CE2 . TYR B 16 ? 0.5091 0.4523 0.2196 -0.1246 -0.1309 0.0803  16 TYR B CE2 
292 C CZ  . TYR B 16 ? 0.6179 0.5571 0.3113 -0.1258 -0.1295 0.0851  16 TYR B CZ  
293 O OH  . TYR B 16 ? 0.6375 0.5670 0.2983 -0.1272 -0.1291 0.0855  16 TYR B OH  
294 N N   . LEU B 17 ? 0.6260 0.5805 0.4056 -0.1233 -0.1395 0.0890  17 LEU B N   
295 C CA  . LEU B 17 ? 0.5915 0.5429 0.3652 -0.1258 -0.1464 0.0910  17 LEU B CA  
296 C C   . LEU B 17 ? 0.6257 0.5804 0.4092 -0.1270 -0.1524 0.0982  17 LEU B C   
297 O O   . LEU B 17 ? 0.6439 0.5996 0.4186 -0.1287 -0.1611 0.1027  17 LEU B O   
298 C CB  . LEU B 17 ? 0.6037 0.5522 0.3809 -0.1244 -0.1449 0.0859  17 LEU B CB  
299 C CG  . LEU B 17 ? 0.6640 0.6083 0.4300 -0.1279 -0.1513 0.0854  17 LEU B CG  
300 C CD1 . LEU B 17 ? 0.7477 0.6885 0.4900 -0.1299 -0.1530 0.0830  17 LEU B CD1 
301 C CD2 . LEU B 17 ? 0.6502 0.5905 0.4205 -0.1260 -0.1491 0.0811  17 LEU B CD2 
302 N N   . VAL B 18 ? 0.6308 0.5881 0.4310 -0.1256 -0.1490 0.0993  18 VAL B N   
303 C CA  . VAL B 18 ? 0.6035 0.5647 0.4148 -0.1259 -0.1542 0.1061  18 VAL B CA  
304 C C   . VAL B 18 ? 0.7564 0.7211 0.5623 -0.1246 -0.1590 0.1137  18 VAL B C   
305 O O   . VAL B 18 ? 0.8415 0.8107 0.6467 -0.1238 -0.1685 0.1211  18 VAL B O   
306 C CB  . VAL B 18 ? 0.6438 0.6055 0.4702 -0.1244 -0.1484 0.1044  18 VAL B CB  
307 C CG1 . VAL B 18 ? 0.6575 0.6240 0.4948 -0.1236 -0.1522 0.1120  18 VAL B CG1 
308 C CG2 . VAL B 18 ? 0.7107 0.6690 0.5405 -0.1243 -0.1468 0.1003  18 VAL B CG2 
309 N N   . CYS B 19 ? 0.6747 0.6379 0.4758 -0.1233 -0.1534 0.1128  19 CYS B N   
310 C CA  . CYS B 19 ? 0.7497 0.7144 0.5448 -0.1202 -0.1566 0.1215  19 CYS B CA  
311 C C   . CYS B 19 ? 0.7524 0.7152 0.5242 -0.1188 -0.1634 0.1262  19 CYS B C   
312 O O   . CYS B 19 ? 0.7460 0.7123 0.5125 -0.1148 -0.1726 0.1364  19 CYS B O   
313 C CB  . CYS B 19 ? 0.8228 0.7852 0.6180 -0.1197 -0.1480 0.1191  19 CYS B CB  
314 S SG  . CYS B 19 ? 0.5836 0.5473 0.3984 -0.1212 -0.1411 0.1125  19 CYS B SG  
315 N N   . GLY B 20 ? 0.8749 0.8323 0.6305 -0.1212 -0.1596 0.1196  20 GLY B N   
316 C CA  . GLY B 20 ? 0.8860 0.8392 0.6131 -0.1201 -0.1651 0.1231  20 GLY B CA  
317 C C   . GLY B 20 ? 0.9330 0.8820 0.6421 -0.1146 -0.1636 0.1324  20 GLY B C   
318 O O   . GLY B 20 ? 0.8639 0.8086 0.5715 -0.1145 -0.1534 0.1300  20 GLY B O   
319 N N   . GLU B 21 ? 1.0099 0.9598 0.7036 -0.1089 -0.1739 0.1442  21 GLU B N   
320 C CA  . GLU B 21 ? 0.9345 0.8770 0.6047 -0.1005 -0.1716 0.1567  21 GLU B CA  
321 C C   . GLU B 21 ? 0.9155 0.8582 0.6050 -0.0959 -0.1644 0.1629  21 GLU B C   
322 O O   . GLU B 21 ? 0.9334 0.8656 0.6065 -0.0904 -0.1548 0.1705  21 GLU B O   
323 C CB  . GLU B 21 ? 0.9668 0.9112 0.6141 -0.0929 -0.1862 0.1701  21 GLU B CB  
324 C CG  . GLU B 21 ? 1.0866 1.0309 0.7106 -0.0979 -0.1951 0.1638  21 GLU B CG  
325 C CD  . GLU B 21 ? 1.3449 1.2930 0.9423 -0.0900 -0.2123 0.1771  21 GLU B CD  
326 O OE1 . GLU B 21 ? 1.4260 1.3705 1.0094 -0.0780 -0.2133 0.1938  21 GLU B OE1 
327 O OE2 . GLU B 21 ? 1.4600 1.4145 1.0492 -0.0947 -0.2251 0.1718  21 GLU B OE2 
328 N N   . ARG B 22 ? 0.8614 0.8136 0.5828 -0.0978 -0.1672 0.1607  22 ARG B N   
329 C CA  . ARG B 22 ? 0.7871 0.7383 0.5249 -0.0936 -0.1602 0.1661  22 ARG B CA  
330 C C   . ARG B 22 ? 0.8200 0.7652 0.5588 -0.0987 -0.1467 0.1565  22 ARG B C   
331 O O   . ARG B 22 ? 0.8444 0.7808 0.5764 -0.0936 -0.1377 0.1642  22 ARG B O   
332 C CB  . ARG B 22 ? 0.7443 0.7060 0.5131 -0.0957 -0.1648 0.1640  22 ARG B CB  
333 C CG  . ARG B 22 ? 0.8212 0.7904 0.5945 -0.0880 -0.1776 0.1780  22 ARG B CG  
334 C CD  A ARG B 22 ? 0.6979 0.6768 0.5016 -0.0912 -0.1806 0.1749  22 ARG B CD  
335 C CD  B ARG B 22 ? 0.7606 0.7393 0.5648 -0.0907 -0.1800 0.1755  22 ARG B CD  
336 N NE  A ARG B 22 ? 0.7679 0.7495 0.5766 -0.1013 -0.1815 0.1612  22 ARG B NE  
337 N NE  B ARG B 22 ? 0.7858 0.7609 0.6048 -0.0896 -0.1691 0.1743  22 ARG B NE  
338 C CZ  A ARG B 22 ? 0.7655 0.7521 0.5952 -0.1050 -0.1819 0.1571  22 ARG B CZ  
339 C CZ  B ARG B 22 ? 0.7815 0.7614 0.6233 -0.0912 -0.1677 0.1718  22 ARG B CZ  
340 N NH1 A ARG B 22 ? 0.7333 0.7249 0.5828 -0.1006 -0.1821 0.1641  22 ARG B NH1 
341 N NH1 B ARG B 22 ? 0.7242 0.7128 0.5796 -0.0939 -0.1756 0.1710  22 ARG B NH1 
342 N NH2 A ARG B 22 ? 0.7602 0.7452 0.5893 -0.1120 -0.1810 0.1468  22 ARG B NH2 
343 N NH2 B ARG B 22 ? 0.7825 0.7567 0.6309 -0.0897 -0.1577 0.1706  22 ARG B NH2 
344 N N   . GLY B 23 ? 0.5754 1.1511 0.8383 0.3470  -0.0109 -0.1698 23 GLY B N   
345 C CA  . GLY B 23 ? 0.5684 1.0886 0.8119 0.3193  0.0084  -0.1527 23 GLY B CA  
346 C C   . GLY B 23 ? 0.5430 1.1219 0.8193 0.3288  0.0216  -0.1791 23 GLY B C   
347 O O   . GLY B 23 ? 0.5400 1.1938 0.8513 0.3593  0.0147  -0.2131 23 GLY B O   
348 N N   . PHE B 24 ? 0.5558 1.1005 0.8207 0.3018  0.0410  -0.1663 24 PHE B N   
349 C CA  . PHE B 24 ? 0.6283 1.2179 0.9146 0.3063  0.0555  -0.1877 24 PHE B CA  
350 C C   . PHE B 24 ? 0.7961 1.3069 1.0557 0.3054  0.0506  -0.1835 24 PHE B C   
351 O O   . PHE B 24 ? 0.7634 1.1919 0.9912 0.2881  0.0463  -0.1626 24 PHE B O   
352 C CB  . PHE B 24 ? 0.4642 1.1057 0.7621 0.2639  0.0899  -0.1783 24 PHE B CB  
353 C CG  . PHE B 24 ? 0.4236 1.0305 0.7058 0.2281  0.1074  -0.1497 24 PHE B CG  
354 C CD1 . PHE B 24 ? 0.4062 1.0051 0.6828 0.2028  0.1126  -0.1251 24 PHE B CD1 
355 C CD2 . PHE B 24 ? 0.4214 0.9957 0.6912 0.2162  0.1156  -0.1480 24 PHE B CD2 
356 C CE1 . PHE B 24 ? 0.3862 0.9459 0.6470 0.1657  0.1267  -0.0998 24 PHE B CE1 
357 C CE2 . PHE B 24 ? 0.4024 0.9404 0.6584 0.1815  0.1273  -0.1257 24 PHE B CE2 
358 C CZ  . PHE B 24 ? 0.3842 0.9154 0.6366 0.1558  0.1335  -0.1017 24 PHE B CZ  
359 N N   . PHE B 25 ? 0.9814 1.5192 1.2544 0.3219  0.0537  -0.2071 25 PHE B N   
360 C CA  . PHE B 25 ? 0.9994 1.4796 1.2549 0.3195  0.0529  -0.2093 25 PHE B CA  
361 C C   . PHE B 25 ? 0.9719 1.5027 1.2414 0.3037  0.0768  -0.2173 25 PHE B C   
362 O O   . PHE B 25 ? 0.9687 1.5456 1.2454 0.3011  0.0832  -0.2262 25 PHE B O   
363 C CB  . PHE B 25 ? 1.0555 1.5006 1.3020 0.3622  0.0273  -0.2323 25 PHE B CB  
364 C CG  . PHE B 25 ? 1.0603 1.5809 1.3363 0.3910  0.0244  -0.2624 25 PHE B CG  
365 C CD1 . PHE B 25 ? 1.0763 1.6369 1.3647 0.4039  0.0115  -0.2704 25 PHE B CD1 
366 C CD2 . PHE B 25 ? 1.0646 1.5906 1.3406 0.3849  0.0320  -0.2738 25 PHE B CD2 
367 C CE1 . PHE B 25 ? 1.1088 1.7163 1.4125 0.4081  0.0093  -0.2922 25 PHE B CE1 
368 C CE2 . PHE B 25 ? 1.0627 1.6316 1.3499 0.3905  0.0299  -0.2918 25 PHE B CE2 
369 C CZ  . PHE B 25 ? 1.1132 1.7239 1.4158 0.4011  0.0197  -0.3024 25 PHE B CZ  
370 N N   . TYR B 26 ? 0.6050 1.0967 0.8611 0.2784  0.0858  -0.2065 26 TYR B N   
371 C CA  . TYR B 26 ? 0.6238 1.1458 0.8799 0.2666  0.1031  -0.2132 26 TYR B CA  
372 C C   . TYR B 26 ? 0.6055 1.0895 0.8561 0.2807  0.0931  -0.2317 26 TYR B C   
373 O O   . TYR B 26 ? 0.6458 1.0725 0.8884 0.2668  0.0877  -0.2272 26 TYR B O   
374 C CB  . TYR B 26 ? 0.4490 0.9667 0.6967 0.2302  0.1189  -0.1911 26 TYR B CB  
375 C CG  . TYR B 26 ? 0.4435 0.9658 0.6711 0.2154  0.1295  -0.1910 26 TYR B CG  
376 C CD1 . TYR B 26 ? 0.4495 0.9942 0.6590 0.2066  0.1399  -0.1874 26 TYR B CD1 
377 C CD2 . TYR B 26 ? 0.4412 0.9392 0.6641 0.2107  0.1278  -0.1981 26 TYR B CD2 
378 C CE1 . TYR B 26 ? 0.4584 0.9952 0.6374 0.1973  0.1489  -0.1880 26 TYR B CE1 
379 C CE2 . TYR B 26 ? 0.4467 0.9428 0.6431 0.2044  0.1320  -0.1997 26 TYR B CE2 
380 C CZ  . TYR B 26 ? 0.4577 0.9703 0.6279 0.1993  0.1430  -0.1934 26 TYR B CZ  
381 O OH  . TYR B 26 ? 0.4750 0.9775 0.6081 0.1972  0.1482  -0.1968 26 TYR B OH  
382 N N   . THR B 27 ? 0.5298 1.0297 0.7769 0.2955  0.0896  -0.2471 27 THR B N   
383 C CA  . THR B 27 ? 0.5582 1.0280 0.8013 0.3114  0.0795  -0.2670 27 THR B CA  
384 C C   . THR B 27 ? 0.6627 1.1509 0.8896 0.3028  0.0875  -0.2713 27 THR B C   
385 O O   . THR B 27 ? 0.7159 1.2254 0.9400 0.3131  0.0871  -0.2813 27 THR B O   
386 C CB  . THR B 27 ? 0.5988 1.0533 0.8472 0.3443  0.0613  -0.2831 27 THR B CB  
387 O OG1 . THR B 27 ? 0.6138 1.0352 0.8619 0.3548  0.0510  -0.2768 27 THR B OG1 
388 C CG2 . THR B 27 ? 0.6309 1.0467 0.8732 0.3571  0.0523  -0.3026 27 THR B CG2 
389 N N   . PRO B 28 ? 0.6032 1.0818 0.8166 0.2859  0.0942  -0.2669 28 PRO B N   
390 C CA  . PRO B 28 ? 0.6400 1.1240 0.8280 0.2858  0.0979  -0.2748 28 PRO B CA  
391 C C   . PRO B 28 ? 0.6936 1.1587 0.8832 0.3058  0.0840  -0.2972 28 PRO B C   
392 O O   . PRO B 28 ? 0.7589 1.2365 0.9341 0.3144  0.0860  -0.3069 28 PRO B O   
393 C CB  . PRO B 28 ? 0.6695 1.1422 0.8412 0.2688  0.1023  -0.2666 28 PRO B CB  
394 C CG  . PRO B 28 ? 0.5874 1.0434 0.7863 0.2612  0.0975  -0.2638 28 PRO B CG  
395 C CD  . PRO B 28 ? 0.5782 1.0411 0.7970 0.2678  0.0977  -0.2573 28 PRO B CD  
396 N N   . LYS B 29 ? 0.7159 1.1494 0.9221 0.3111  0.0724  -0.3075 29 LYS B N   
397 C CA  . LYS B 29 ? 0.7548 1.1653 0.9634 0.3274  0.0598  -0.3293 29 LYS B CA  
398 C C   . LYS B 29 ? 0.7673 1.1503 0.9920 0.3427  0.0515  -0.3369 29 LYS B C   
399 O O   . LYS B 29 ? 0.7863 1.1548 1.0102 0.3606  0.0422  -0.3518 29 LYS B O   
400 C CB  . LYS B 29 ? 0.8013 1.1901 1.0092 0.3188  0.0535  -0.3427 29 LYS B CB  
401 C CG  . LYS B 29 ? 0.8316 1.2278 1.0166 0.3257  0.0480  -0.3535 29 LYS B CG  
402 C CD  . LYS B 29 ? 0.9050 1.3263 1.0593 0.3219  0.0595  -0.3390 29 LYS B CD  
403 C CE  . LYS B 29 ? 0.9259 1.3492 1.0741 0.3047  0.0655  -0.3246 29 LYS B CE  
404 N NZ  . LYS B 29 ? 1.0243 1.4649 1.1368 0.2988  0.0814  -0.3094 29 LYS B NZ  
405 O OXT . LYS B 29 ? 0.7941 1.1625 1.0276 0.3394  0.0533  -0.3291 29 LYS B OXT 
406 N N   . GLY C 1  ? 1.3623 1.1845 1.2058 0.1081  -0.0582 0.1565  1  GLY C N   
407 C CA  . GLY C 1  ? 1.3417 1.1748 1.1928 0.1030  -0.0619 0.1394  1  GLY C CA  
408 C C   . GLY C 1  ? 1.2491 1.0854 1.1187 0.0663  -0.0685 0.1275  1  GLY C C   
409 O O   . GLY C 1  ? 1.2227 1.0400 1.1008 0.0458  -0.0676 0.1293  1  GLY C O   
410 N N   . ILE C 2  ? 1.0657 0.9255 0.9403 0.0590  -0.0750 0.1153  2  ILE C N   
411 C CA  . ILE C 2  ? 0.9022 0.7624 0.7915 0.0282  -0.0836 0.1046  2  ILE C CA  
412 C C   . ILE C 2  ? 0.8672 0.7690 0.7662 0.0113  -0.0864 0.1123  2  ILE C C   
413 O O   . ILE C 2  ? 0.8776 0.7670 0.7898 -0.0103 -0.0887 0.1092  2  ILE C O   
414 C CB  . ILE C 2  ? 0.8495 0.7166 0.7334 0.0247  -0.0906 0.0904  2  ILE C CB  
415 C CG1 . ILE C 2  ? 0.8109 0.6751 0.7073 -0.0043 -0.1022 0.0811  2  ILE C CG1 
416 C CG2 . ILE C 2  ? 0.7940 0.7171 0.6693 0.0372  -0.0899 0.0933  2  ILE C CG2 
417 C CD1 . ILE C 2  ? 0.7610 0.6298 0.6467 -0.0114 -0.1112 0.0684  2  ILE C CD1 
418 N N   . VAL C 3  ? 0.9229 0.8753 0.8144 0.0203  -0.0855 0.1220  3  VAL C N   
419 C CA  . VAL C 3  ? 0.8171 0.8072 0.7098 0.0007  -0.0874 0.1289  3  VAL C CA  
420 C C   . VAL C 3  ? 0.8338 0.8044 0.7300 -0.0055 -0.0810 0.1396  3  VAL C C   
421 O O   . VAL C 3  ? 0.7656 0.7356 0.6666 -0.0286 -0.0805 0.1389  3  VAL C O   
422 C CB  . VAL C 3  ? 0.8184 0.8727 0.7006 0.0090  -0.0883 0.1366  3  VAL C CB  
423 C CG1 . VAL C 3  ? 0.7826 0.8709 0.6592 -0.0102 -0.0878 0.1479  3  VAL C CG1 
424 C CG2 . VAL C 3  ? 0.7785 0.8555 0.6546 0.0019  -0.0940 0.1236  3  VAL C CG2 
425 N N   . GLU C 4  ? 0.9433 0.8934 0.8336 0.0150  -0.0750 0.1493  4  GLU C N   
426 C CA  . GLU C 4  ? 0.9044 0.8355 0.7919 0.0076  -0.0683 0.1604  4  GLU C CA  
427 C C   . GLU C 4  ? 0.8364 0.7227 0.7375 -0.0139 -0.0644 0.1500  4  GLU C C   
428 O O   . GLU C 4  ? 0.8225 0.7064 0.7266 -0.0327 -0.0589 0.1537  4  GLU C O   
429 C CB  . GLU C 4  ? 0.8966 0.8064 0.7684 0.0355  -0.0639 0.1732  4  GLU C CB  
430 C CG  . GLU C 4  ? 0.9201 0.8138 0.7809 0.0280  -0.0581 0.1877  4  GLU C CG  
431 C CD  . GLU C 4  ? 0.9552 0.8340 0.7944 0.0590  -0.0569 0.2039  4  GLU C CD  
432 O OE1 . GLU C 4  ? 0.9647 0.8520 0.8004 0.0890  -0.0596 0.2037  4  GLU C OE1 
433 O OE2 . GLU C 4  ? 0.9657 0.8221 0.7893 0.0543  -0.0528 0.2168  4  GLU C OE2 
434 N N   . GLN C 5  ? 0.9838 0.8375 0.8936 -0.0127 -0.0667 0.1366  5  GLN C N   
435 C CA  . GLN C 5  ? 1.0351 0.8528 0.9617 -0.0320 -0.0635 0.1267  5  GLN C CA  
436 C C   . GLN C 5  ? 1.0293 0.8652 0.9770 -0.0512 -0.0707 0.1154  5  GLN C C   
437 O O   . GLN C 5  ? 1.0600 0.8975 1.0209 -0.0681 -0.0659 0.1145  5  GLN C O   
438 C CB  . GLN C 5  ? 1.1233 0.8952 1.0456 -0.0244 -0.0629 0.1184  5  GLN C CB  
439 C CG  . GLN C 5  ? 1.0246 0.7681 0.9670 -0.0467 -0.0610 0.1070  5  GLN C CG  
440 C CD  . GLN C 5  ? 0.9827 0.6823 0.9162 -0.0449 -0.0614 0.0977  5  GLN C CD  
441 O OE1 . GLN C 5  ? 1.1192 0.8023 1.0284 -0.0247 -0.0615 0.0996  5  GLN C OE1 
442 N NE2 . GLN C 5  ? 1.0956 0.7773 1.0480 -0.0665 -0.0610 0.0872  5  GLN C NE2 
443 N N   . CYS C 6  ? 0.8153 0.6620 0.7634 -0.0479 -0.0816 0.1068  6  CYS C N   
444 C CA  . CYS C 6  ? 0.7420 0.5950 0.7062 -0.0637 -0.0909 0.0962  6  CYS C CA  
445 C C   . CYS C 6  ? 0.7062 0.5903 0.6638 -0.0739 -0.0919 0.1003  6  CYS C C   
446 O O   . CYS C 6  ? 0.7251 0.6072 0.6934 -0.0861 -0.0976 0.0932  6  CYS C O   
447 C CB  . CYS C 6  ? 0.7721 0.6199 0.7319 -0.0596 -0.1031 0.0860  6  CYS C CB  
448 S SG  . CYS C 6  ? 0.5454 0.3481 0.5088 -0.0556 -0.1028 0.0775  6  CYS C SG  
449 N N   . CYS C 7  ? 0.6317 0.5432 0.5695 -0.0694 -0.0871 0.1118  7  CYS C N   
450 C CA  . CYS C 7  ? 0.6064 0.5438 0.5312 -0.0842 -0.0862 0.1160  7  CYS C CA  
451 C C   . CYS C 7  ? 0.6461 0.5772 0.5725 -0.0951 -0.0739 0.1233  7  CYS C C   
452 O O   . CYS C 7  ? 0.6644 0.6109 0.5752 -0.1100 -0.0707 0.1269  7  CYS C O   
453 C CB  . CYS C 7  ? 0.5725 0.5522 0.4735 -0.0789 -0.0887 0.1237  7  CYS C CB  
454 S SG  . CYS C 7  ? 0.4167 0.4087 0.3086 -0.0761 -0.1012 0.1124  7  CYS C SG  
455 N N   . THR C 8  ? 0.6688 0.5743 0.6087 -0.0909 -0.0658 0.1249  8  THR C N   
456 C CA  . THR C 8  ? 0.6388 0.5324 0.5811 -0.1043 -0.0524 0.1289  8  THR C CA  
457 C C   . THR C 8  ? 0.7637 0.6305 0.7359 -0.1128 -0.0476 0.1166  8  THR C C   
458 O O   . THR C 8  ? 0.8414 0.7032 0.8193 -0.1269 -0.0364 0.1151  8  THR C O   
459 C CB  . THR C 8  ? 0.6704 0.5571 0.5985 -0.0961 -0.0450 0.1424  8  THR C CB  
460 O OG1 . THR C 8  ? 0.7077 0.5660 0.6438 -0.0819 -0.0464 0.1389  8  THR C OG1 
461 C CG2 . THR C 8  ? 0.7876 0.7116 0.6908 -0.0865 -0.0502 0.1560  8  THR C CG2 
462 N N   . SER C 9  ? 0.6286 0.4808 0.6197 -0.1055 -0.0554 0.1073  9  SER C N   
463 C CA  . SER C 9  ? 0.5614 0.3993 0.5856 -0.1137 -0.0542 0.0947  9  SER C CA  
464 C C   . SER C 9  ? 0.5840 0.4235 0.6204 -0.1082 -0.0716 0.0849  9  SER C C   
465 O O   . SER C 9  ? 0.5968 0.4365 0.6167 -0.0979 -0.0809 0.0863  9  SER C O   
466 C CB  . SER C 9  ? 0.6088 0.4218 0.6417 -0.1173 -0.0439 0.0938  9  SER C CB  
467 O OG  . SER C 9  ? 0.6575 0.4647 0.6747 -0.1243 -0.0284 0.1034  9  SER C OG  
468 N N   . ILE C 10 ? 0.6167 0.4579 0.6817 -0.1145 -0.0760 0.0749  10 ILE C N   
469 C CA  . ILE C 10 ? 0.5936 0.4352 0.6698 -0.1110 -0.0948 0.0664  10 ILE C CA  
470 C C   . ILE C 10 ? 0.5747 0.4011 0.6582 -0.1101 -0.0990 0.0618  10 ILE C C   
471 O O   . ILE C 10 ? 0.7221 0.5390 0.8241 -0.1176 -0.0894 0.0587  10 ILE C O   
472 C CB  . ILE C 10 ? 0.6278 0.4760 0.7354 -0.1147 -0.0993 0.0582  10 ILE C CB  
473 C CG1 . ILE C 10 ? 0.7046 0.5568 0.7908 -0.1142 -0.1001 0.0616  10 ILE C CG1 
474 C CG2 . ILE C 10 ? 0.6140 0.4617 0.7420 -0.1130 -0.1192 0.0495  10 ILE C CG2 
475 C CD1 . ILE C 10 ? 0.5816 0.4338 0.6922 -0.1120 -0.1066 0.0543  10 ILE C CD1 
476 N N   . CYS C 11 ? 0.6020 0.4233 0.6666 -0.1035 -0.1119 0.0605  11 CYS C N   
477 C CA  . CYS C 11 ? 0.7622 0.5617 0.8229 -0.1031 -0.1147 0.0559  11 CYS C CA  
478 C C   . CYS C 11 ? 0.8313 0.6304 0.9154 -0.1119 -0.1312 0.0449  11 CYS C C   
479 O O   . CYS C 11 ? 0.8104 0.6202 0.8945 -0.1108 -0.1469 0.0424  11 CYS C O   
480 C CB  . CYS C 11 ? 0.8662 0.6592 0.8909 -0.0901 -0.1166 0.0599  11 CYS C CB  
481 S SG  . CYS C 11 ? 0.8472 0.6314 0.8466 -0.0766 -0.0981 0.0728  11 CYS C SG  
482 N N   . SER C 12 ? 0.9628 0.7490 1.0638 -0.1224 -0.1284 0.0389  12 SER C N   
483 C CA  . SER C 12 ? 0.9664 0.7560 1.0897 -0.1333 -0.1450 0.0291  12 SER C CA  
484 C C   . SER C 12 ? 1.0468 0.8129 1.1385 -0.1329 -0.1560 0.0256  12 SER C C   
485 O O   . SER C 12 ? 1.1116 0.8548 1.1683 -0.1240 -0.1464 0.0294  12 SER C O   
486 C CB  . SER C 12 ? 0.9611 0.7506 1.1133 -0.1497 -0.1367 0.0230  12 SER C CB  
487 O OG  . SER C 12 ? 1.0621 0.8178 1.1861 -0.1535 -0.1206 0.0252  12 SER C OG  
488 N N   . LEU C 13 ? 1.1737 1.1002 0.5081 0.2671  -0.1106 -0.2487 13 LEU C N   
489 C CA  . LEU C 13 ? 1.2334 1.1149 0.5719 0.2414  -0.1171 -0.2477 13 LEU C CA  
490 C C   . LEU C 13 ? 1.2583 1.1484 0.5998 0.2114  -0.1067 -0.2440 13 LEU C C   
491 O O   . LEU C 13 ? 1.2298 1.0662 0.5711 0.1856  -0.1070 -0.2385 13 LEU C O   
492 C CB  . LEU C 13 ? 1.2446 1.1430 0.5901 0.2557  -0.1319 -0.2604 13 LEU C CB  
493 C CG  . LEU C 13 ? 1.2507 1.1249 0.5871 0.2859  -0.1466 -0.2640 13 LEU C CG  
494 C CD1 . LEU C 13 ? 1.1496 1.0382 0.4908 0.3003  -0.1638 -0.2770 13 LEU C CD1 
495 C CD2 . LEU C 13 ? 1.1900 0.9837 0.5132 0.2711  -0.1480 -0.2513 13 LEU C CD2 
496 N N   . TYR C 14 ? 1.4697 1.4310 0.8297 0.2079  -0.0939 -0.2410 14 TYR C N   
497 C CA  . TYR C 14 ? 1.4637 1.4329 0.8563 0.1665  -0.0787 -0.2221 14 TYR C CA  
498 C C   . TYR C 14 ? 1.4756 1.3932 0.8501 0.1549  -0.0728 -0.2100 14 TYR C C   
499 O O   . TYR C 14 ? 1.4147 1.2961 0.8005 0.1257  -0.0699 -0.2003 14 TYR C O   
500 C CB  . TYR C 14 ? 1.5335 1.5908 0.9625 0.1565  -0.0621 -0.2143 14 TYR C CB  
501 C CG  . TYR C 14 ? 1.6040 1.7276 1.0548 0.1752  -0.0687 -0.2301 14 TYR C CG  
502 C CD1 . TYR C 14 ? 1.6611 1.7992 1.1409 0.1563  -0.0756 -0.2329 14 TYR C CD1 
503 C CD2 . TYR C 14 ? 1.5656 1.7377 1.0078 0.2136  -0.0697 -0.2437 14 TYR C CD2 
504 C CE1 . TYR C 14 ? 1.6930 1.8948 1.1955 0.1751  -0.0848 -0.2490 14 TYR C CE1 
505 C CE2 . TYR C 14 ? 1.5988 1.8364 1.0646 0.2345  -0.0778 -0.2608 14 TYR C CE2 
506 C CZ  . TYR C 14 ? 1.6899 1.9434 1.1872 0.2152  -0.0862 -0.2636 14 TYR C CZ  
507 O OH  . TYR C 14 ? 1.6869 2.0086 1.2105 0.2376  -0.0973 -0.2823 14 TYR C OH  
508 N N   . GLN C 15 ? 1.6720 1.5859 1.0184 0.1789  -0.0722 -0.2118 15 GLN C N   
509 C CA  . GLN C 15 ? 1.6128 1.4785 0.9411 0.1711  -0.0703 -0.2023 15 GLN C CA  
510 C C   . GLN C 15 ? 1.5589 1.3509 0.8717 0.1657  -0.0829 -0.2099 15 GLN C C   
511 O O   . GLN C 15 ? 1.4814 1.2373 0.7996 0.1455  -0.0810 -0.2023 15 GLN C O   
512 C CB  . GLN C 15 ? 1.5493 1.4249 0.8464 0.1999  -0.0692 -0.2045 15 GLN C CB  
513 C CG  . GLN C 15 ? 1.5547 1.5006 0.8656 0.1992  -0.0516 -0.1949 15 GLN C CG  
514 C CD  . GLN C 15 ? 1.4979 1.4516 0.7733 0.2295  -0.0499 -0.1987 15 GLN C CD  
515 O OE1 . GLN C 15 ? 1.4814 1.4274 0.7596 0.2523  -0.0591 -0.2068 15 GLN C OE1 
516 N NE2 . GLN C 15 ? 1.4872 1.4528 0.7565 0.2184  -0.0363 -0.1835 15 GLN C NE2 
517 N N   . LEU C 16 ? 1.3444 1.1239 0.6688 0.1741  -0.0912 -0.2157 16 LEU C N   
518 C CA  . LEU C 16 ? 1.2256 0.9515 0.5616 0.1572  -0.0958 -0.2148 16 LEU C CA  
519 C C   . LEU C 16 ? 1.1432 0.8532 0.4874 0.1318  -0.0943 -0.2172 16 LEU C C   
520 O O   . LEU C 16 ? 1.0301 0.7015 0.3851 0.1119  -0.0922 -0.2149 16 LEU C O   
521 C CB  . LEU C 16 ? 1.1529 0.8665 0.4907 0.1708  -0.1045 -0.2181 16 LEU C CB  
522 C CG  . LEU C 16 ? 1.0742 0.7837 0.4020 0.1928  -0.1084 -0.2153 16 LEU C CG  
523 C CD1 . LEU C 16 ? 1.1436 0.8975 0.4634 0.2235  -0.1118 -0.2212 16 LEU C CD1 
524 C CD2 . LEU C 16 ? 1.0796 0.7439 0.4071 0.1881  -0.1151 -0.2133 16 LEU C CD2 
525 N N   . GLU C 17 ? 1.2685 1.0111 0.6093 0.1322  -0.0954 -0.2229 17 GLU C N   
526 C CA  . GLU C 17 ? 1.1134 0.8431 0.4711 0.1037  -0.0932 -0.2210 17 GLU C CA  
527 C C   . GLU C 17 ? 1.0640 0.7853 0.4436 0.0783  -0.0817 -0.2056 17 GLU C C   
528 O O   . GLU C 17 ? 1.0150 0.7021 0.4059 0.0551  -0.0801 -0.2045 17 GLU C O   
529 C CB  . GLU C 17 ? 1.0310 0.8196 0.4151 0.1007  -0.0926 -0.2197 17 GLU C CB  
530 C CG  . GLU C 17 ? 1.1421 0.9243 0.5537 0.0666  -0.0885 -0.2126 17 GLU C CG  
531 C CD  . GLU C 17 ? 1.0197 0.8446 0.4493 0.0654  -0.0948 -0.2179 17 GLU C CD  
532 O OE1 . GLU C 17 ? 1.0174 0.9128 0.4672 0.0743  -0.0909 -0.2160 17 GLU C OE1 
533 O OE2 . GLU C 17 ? 1.0251 0.8146 0.4489 0.0552  -0.1036 -0.2250 17 GLU C OE2 
534 N N   . ASN C 18 ? 1.1311 0.8787 0.5126 0.0837  -0.0746 -0.1946 18 ASN C N   
535 C CA  . ASN C 18 ? 1.0630 0.7964 0.4581 0.0632  -0.0673 -0.1801 18 ASN C CA  
536 C C   . ASN C 18 ? 1.0835 0.7570 0.4711 0.0591  -0.0729 -0.1867 18 ASN C C   
537 O O   . ASN C 18 ? 1.1238 0.7778 0.5275 0.0405  -0.0698 -0.1788 18 ASN C O   
538 C CB  . ASN C 18 ? 1.0300 0.7936 0.4167 0.0730  -0.0609 -0.1686 18 ASN C CB  
539 C CG  . ASN C 18 ? 1.1787 1.0016 0.5836 0.0604  -0.0487 -0.1564 18 ASN C CG  
540 O OD1 . ASN C 18 ? 1.1320 0.9824 0.5574 0.0495  -0.0473 -0.1590 18 ASN C OD1 
541 N ND2 . ASN C 18 ? 1.2190 1.0613 0.6149 0.0599  -0.0399 -0.1434 18 ASN C ND2 
542 N N   . TYR C 19 ? 1.1257 0.7696 0.4884 0.0755  -0.0812 -0.2020 19 TYR C N   
543 C CA  . TYR C 19 ? 1.0540 0.6543 0.4219 0.0680  -0.0835 -0.2082 19 TYR C CA  
544 C C   . TYR C 19 ? 1.0043 0.5875 0.3975 0.0487  -0.0801 -0.2125 19 TYR C C   
545 O O   . TYR C 19 ? 0.9908 0.5563 0.4075 0.0381  -0.0768 -0.2142 19 TYR C O   
546 C CB  . TYR C 19 ? 1.0914 0.6970 0.4634 0.0841  -0.0864 -0.2073 19 TYR C CB  
547 C CG  . TYR C 19 ? 1.0711 0.6914 0.4210 0.1030  -0.0892 -0.2023 19 TYR C CG  
548 C CD1 . TYR C 19 ? 1.0791 0.6813 0.4238 0.1013  -0.0921 -0.1996 19 TYR C CD1 
549 C CD2 . TYR C 19 ? 1.0413 0.6942 0.3761 0.1237  -0.0894 -0.2006 19 TYR C CD2 
550 C CE1 . TYR C 19 ? 1.1209 0.7338 0.4419 0.1180  -0.0948 -0.1935 19 TYR C CE1 
551 C CE2 . TYR C 19 ? 1.0570 0.7257 0.3725 0.1402  -0.0895 -0.1951 19 TYR C CE2 
552 C CZ  . TYR C 19 ? 1.1727 0.8196 0.4794 0.1364  -0.0920 -0.1906 19 TYR C CZ  
553 O OH  . TYR C 19 ? 1.1782 0.8373 0.4623 0.1519  -0.0923 -0.1838 19 TYR C OH  
554 N N   . CYS C 20 ? 1.0074 0.5995 0.3967 0.0444  -0.0806 -0.2147 20 CYS C N   
555 C CA  . CYS C 20 ? 1.0053 0.5814 0.4156 0.0271  -0.0774 -0.2174 20 CYS C CA  
556 C C   . CYS C 20 ? 0.9952 0.5480 0.4168 0.0039  -0.0722 -0.2169 20 CYS C C   
557 O O   . CYS C 20 ? 1.0035 0.5605 0.4202 -0.0020 -0.0716 -0.2106 20 CYS C O   
558 C CB  . CYS C 20 ? 1.0049 0.5963 0.4052 0.0320  -0.0831 -0.2206 20 CYS C CB  
559 S SG  . CYS C 20 ? 1.0128 0.6289 0.4008 0.0618  -0.0909 -0.2218 20 CYS C SG  
560 N N   . ASN C 21 ? 0.9801 0.5198 0.4294 -0.0101 -0.0659 -0.2184 21 ASN C N   
561 C CA  . ASN C 21 ? 0.9778 0.4983 0.4449 -0.0301 -0.0600 -0.2181 21 ASN C CA  
562 C C   . ASN C 21 ? 0.9916 0.5059 0.4469 -0.0440 -0.0620 -0.2168 21 ASN C C   
563 O O   . ASN C 21 ? 1.0454 0.5422 0.5139 -0.0621 -0.0574 -0.2152 21 ASN C O   
564 C CB  . ASN C 21 ? 0.9716 0.4901 0.4738 -0.0380 -0.0512 -0.2212 21 ASN C CB  
565 C CG  . ASN C 21 ? 0.9585 0.4799 0.4783 -0.0334 -0.0487 -0.2251 21 ASN C CG  
566 O OD1 . ASN C 21 ? 0.9732 0.4874 0.4853 -0.0288 -0.0529 -0.2245 21 ASN C OD1 
567 N ND2 . ASN C 21 ? 0.9335 0.4636 0.4740 -0.0353 -0.0432 -0.2298 21 ASN C ND2 
568 O OXT . ASN C 21 ? 1.0028 0.5318 0.4364 -0.0374 -0.0690 -0.2181 21 ASN C OXT 
569 N N   . PHE D 1  ? 1.0719 1.2198 0.7727 0.4597  -0.2065 -0.2253 1  PHE D N   
570 C CA  . PHE D 1  ? 0.9498 1.0896 0.6485 0.4542  -0.2012 -0.2171 1  PHE D CA  
571 C C   . PHE D 1  ? 0.8857 1.0253 0.5922 0.4451  -0.1958 -0.2136 1  PHE D C   
572 O O   . PHE D 1  ? 0.9265 1.0646 0.6337 0.4427  -0.1936 -0.2120 1  PHE D O   
573 C CB  . PHE D 1  ? 1.0930 1.2128 0.7728 0.4555  -0.1961 -0.2042 1  PHE D CB  
574 C CG  . PHE D 1  ? 1.0753 1.1860 0.7521 0.4503  -0.1906 -0.1958 1  PHE D CG  
575 C CD1 . PHE D 1  ? 1.0936 1.2120 0.7762 0.4519  -0.1937 -0.2008 1  PHE D CD1 
576 C CD2 . PHE D 1  ? 1.1000 1.1949 0.7687 0.4441  -0.1824 -0.1834 1  PHE D CD2 
577 C CE1 . PHE D 1  ? 1.1500 1.2599 0.8294 0.4478  -0.1888 -0.1934 1  PHE D CE1 
578 C CE2 . PHE D 1  ? 1.1073 1.1940 0.7735 0.4394  -0.1775 -0.1762 1  PHE D CE2 
579 C CZ  . PHE D 1  ? 1.1380 1.2319 0.8092 0.4414  -0.1806 -0.1810 1  PHE D CZ  
580 N N   . VAL D 2  ? 0.8952 1.0365 0.6071 0.4406  -0.1937 -0.2124 2  VAL D N   
581 C CA  . VAL D 2  ? 0.8846 1.0300 0.6064 0.4332  -0.1901 -0.2122 2  VAL D CA  
582 C C   . VAL D 2  ? 0.8307 0.9585 0.5426 0.4267  -0.1812 -0.1978 2  VAL D C   
583 O O   . VAL D 2  ? 0.7646 0.8897 0.4782 0.4215  -0.1770 -0.1940 2  VAL D O   
584 C CB  . VAL D 2  ? 0.8153 0.9760 0.5509 0.4329  -0.1939 -0.2221 2  VAL D CB  
585 C CG1 . VAL D 2  ? 0.7211 0.8881 0.4673 0.4263  -0.1909 -0.2236 2  VAL D CG1 
586 C CG2 . VAL D 2  ? 0.7055 0.8839 0.4514 0.4396  -0.2029 -0.2369 2  VAL D CG2 
587 N N   . ASN D 3  ? 1.0024 1.1187 0.7043 0.4269  -0.1784 -0.1901 3  ASN D N   
588 C CA  . ASN D 3  ? 0.9955 1.0961 0.6896 0.4204  -0.1701 -0.1774 3  ASN D CA  
589 C C   . ASN D 3  ? 0.9974 1.0856 0.6822 0.4188  -0.1657 -0.1692 3  ASN D C   
590 O O   . ASN D 3  ? 1.0131 1.0929 0.6961 0.4124  -0.1594 -0.1613 3  ASN D O   
591 C CB  . ASN D 3  ? 1.0281 1.1194 0.7137 0.4218  -0.1683 -0.1719 3  ASN D CB  
592 C CG  . ASN D 3  ? 1.0230 1.1004 0.7029 0.4148  -0.1601 -0.1604 3  ASN D CG  
593 O OD1 . ASN D 3  ? 1.0428 1.1061 0.7128 0.4128  -0.1551 -0.1511 3  ASN D OD1 
594 N ND2 . ASN D 3  ? 1.0112 1.0928 0.6977 0.4113  -0.1588 -0.1614 3  ASN D ND2 
595 N N   . GLN D 4  ? 0.8865 0.9736 0.5650 0.4250  -0.1691 -0.1713 4  GLN D N   
596 C CA  . GLN D 4  ? 0.8942 0.9719 0.5650 0.4245  -0.1658 -0.1658 4  GLN D CA  
597 C C   . GLN D 4  ? 0.7583 0.8444 0.4389 0.4212  -0.1658 -0.1698 4  GLN D C   
598 O O   . GLN D 4  ? 0.6951 0.7729 0.3722 0.4171  -0.1606 -0.1631 4  GLN D O   
599 C CB  . GLN D 4  ? 0.9354 1.0116 0.5974 0.4331  -0.1701 -0.1686 4  GLN D CB  
600 C CG  . GLN D 4  ? 0.9308 1.0027 0.5877 0.4346  -0.1689 -0.1672 4  GLN D CG  
601 C CD  . GLN D 4  ? 1.1088 1.1853 0.7610 0.4441  -0.1752 -0.1743 4  GLN D CD  
602 O OE1 . GLN D 4  ? 1.2659 1.3321 0.9044 0.4494  -0.1747 -0.1701 4  GLN D OE1 
603 N NE2 . GLN D 4  ? 1.1407 1.2328 0.8042 0.4467  -0.1811 -0.1854 4  GLN D NE2 
604 N N   . HIS D 5  ? 0.7242 0.8273 0.4173 0.4234  -0.1718 -0.1814 5  HIS D N   
605 C CA  . HIS D 5  ? 0.6876 0.8001 0.3910 0.4206  -0.1720 -0.1862 5  HIS D CA  
606 C C   . HIS D 5  ? 0.6734 0.7816 0.3795 0.4126  -0.1656 -0.1795 5  HIS D C   
607 O O   . HIS D 5  ? 0.6666 0.7730 0.3738 0.4092  -0.1623 -0.1768 5  HIS D O   
608 C CB  . HIS D 5  ? 0.7019 0.8343 0.4196 0.4242  -0.1795 -0.2006 5  HIS D CB  
609 C CG  . HIS D 5  ? 0.6784 0.8221 0.4074 0.4222  -0.1804 -0.2072 5  HIS D CG  
610 N ND1 . HIS D 5  ? 0.6651 0.8091 0.3992 0.4158  -0.1758 -0.2041 5  HIS D ND1 
611 C CD2 . HIS D 5  ? 0.6815 0.8369 0.4178 0.4263  -0.1855 -0.2171 5  HIS D CD2 
612 C CE1 . HIS D 5  ? 0.6605 0.8159 0.4042 0.4161  -0.1778 -0.2116 5  HIS D CE1 
613 N NE2 . HIS D 5  ? 0.6700 0.8326 0.4157 0.4222  -0.1837 -0.2198 5  HIS D NE2 
614 N N   . LEU D 6  ? 0.6695 0.7762 0.3765 0.4100  -0.1640 -0.1771 6  LEU D N   
615 C CA  . LEU D 6  ? 0.6573 0.7593 0.3658 0.4029  -0.1580 -0.1706 6  LEU D CA  
616 C C   . LEU D 6  ? 0.6561 0.7410 0.3539 0.3987  -0.1508 -0.1581 6  LEU D C   
617 O O   . LEU D 6  ? 0.6470 0.7295 0.3465 0.3939  -0.1465 -0.1541 6  LEU D O   
618 C CB  . LEU D 6  ? 0.6556 0.7590 0.3660 0.4022  -0.1581 -0.1710 6  LEU D CB  
619 C CG  . LEU D 6  ? 0.6553 0.7771 0.3783 0.4058  -0.1650 -0.1841 6  LEU D CG  
620 C CD1 . LEU D 6  ? 0.8967 1.0182 0.6188 0.4068  -0.1657 -0.1844 6  LEU D CD1 
621 C CD2 . LEU D 6  ? 0.6441 0.7770 0.3784 0.4027  -0.1647 -0.1896 6  LEU D CD2 
622 N N   . CYS D 7  ? 0.6658 0.7391 0.3526 0.4009  -0.1496 -0.1523 7  CYS D N   
623 C CA  . CYS D 7  ? 0.6655 0.7232 0.3427 0.3971  -0.1431 -0.1415 7  CYS D CA  
624 C C   . CYS D 7  ? 0.6658 0.7231 0.3421 0.3977  -0.1426 -0.1418 7  CYS D C   
625 O O   . CYS D 7  ? 0.6594 0.7095 0.3338 0.3929  -0.1373 -0.1353 7  CYS D O   
626 C CB  . CYS D 7  ? 0.6775 0.7237 0.3429 0.4003  -0.1422 -0.1364 7  CYS D CB  
627 S SG  . CYS D 7  ? 0.6802 0.7087 0.3338 0.3975  -0.1353 -0.1253 7  CYS D SG  
628 N N   . GLY D 8  ? 0.6740 0.7391 0.3514 0.4040  -0.1482 -0.1495 8  GLY D N   
629 C CA  . GLY D 8  ? 0.6748 0.7410 0.3520 0.4054  -0.1484 -0.1510 8  GLY D CA  
630 C C   . GLY D 8  ? 0.6620 0.7363 0.3492 0.4011  -0.1471 -0.1535 8  GLY D C   
631 O O   . GLY D 8  ? 0.6596 0.7304 0.3451 0.3998  -0.1444 -0.1508 8  GLY D O   
632 N N   . SER D 9  ? 0.6546 0.7398 0.3518 0.3994  -0.1492 -0.1589 9  SER D N   
633 C CA  . SER D 9  ? 0.6431 0.7359 0.3491 0.3957  -0.1477 -0.1610 9  SER D CA  
634 C C   . SER D 9  ? 0.6352 0.7163 0.3366 0.3891  -0.1401 -0.1503 9  SER D C   
635 O O   . SER D 9  ? 0.6296 0.7115 0.3329 0.3871  -0.1377 -0.1492 9  SER D O   
636 C CB  . SER D 9  ? 0.6381 0.7441 0.3547 0.3957  -0.1511 -0.1688 9  SER D CB  
637 O OG  . SER D 9  ? 0.6458 0.7631 0.3675 0.4018  -0.1584 -0.1793 9  SER D OG  
638 N N   . HIS D 10 ? 0.6349 0.7058 0.3307 0.3860  -0.1365 -0.1429 10 HIS D N   
639 C CA  . HIS D 10 ? 0.6283 0.6878 0.3198 0.3799  -0.1295 -0.1330 10 HIS D CA  
640 C C   . HIS D 10 ? 0.6339 0.6823 0.3166 0.3803  -0.1268 -0.1273 10 HIS D C   
641 O O   . HIS D 10 ? 0.6284 0.6703 0.3094 0.3761  -0.1219 -0.1213 10 HIS D O   
642 C CB  . HIS D 10 ? 0.6265 0.6794 0.3154 0.3768  -0.1268 -0.1277 10 HIS D CB  
643 C CG  . HIS D 10 ? 0.6204 0.6829 0.3172 0.3761  -0.1284 -0.1324 10 HIS D CG  
644 N ND1 . HIS D 10 ? 0.7229 0.7844 0.4223 0.3712  -0.1240 -0.1286 10 HIS D ND1 
645 C CD2 . HIS D 10 ? 0.6233 0.6970 0.3257 0.3802  -0.1340 -0.1410 10 HIS D CD2 
646 C CE1 . HIS D 10 ? 0.6085 0.6796 0.3141 0.3725  -0.1267 -0.1344 10 HIS D CE1 
647 N NE2 . HIS D 10 ? 0.6156 0.6947 0.3238 0.3778  -0.1329 -0.1424 10 HIS D NE2 
648 N N   . LEU D 11 ? 0.6456 0.6917 0.3224 0.3858  -0.1300 -0.1294 11 LEU D N   
649 C CA  . LEU D 11 ? 0.6528 0.6880 0.3201 0.3872  -0.1276 -0.1244 11 LEU D CA  
650 C C   . LEU D 11 ? 0.6510 0.6897 0.3203 0.3882  -0.1276 -0.1267 11 LEU D C   
651 O O   . LEU D 11 ? 0.6506 0.6806 0.3149 0.3863  -0.1234 -0.1212 11 LEU D O   
652 C CB  . LEU D 11 ? 0.6674 0.6996 0.3269 0.3940  -0.1312 -0.1264 11 LEU D CB  
653 C CG  . LEU D 11 ? 0.6767 0.6935 0.3234 0.3950  -0.1273 -0.1188 11 LEU D CG  
654 C CD1 . LEU D 11 ? 0.6690 0.6766 0.3143 0.3881  -0.1211 -0.1103 11 LEU D CD1 
655 C CD2 . LEU D 11 ? 0.6908 0.7053 0.3300 0.4015  -0.1308 -0.1205 11 LEU D CD2 
656 N N   . VAL D 12 ? 0.6504 0.7021 0.3272 0.3915  -0.1325 -0.1355 12 VAL D N   
657 C CA  . VAL D 12 ? 0.6494 0.7053 0.3282 0.3932  -0.1328 -0.1385 12 VAL D CA  
658 C C   . VAL D 12 ? 0.6375 0.6927 0.3202 0.3869  -0.1280 -0.1342 12 VAL D C   
659 O O   . VAL D 12 ? 0.6372 0.6890 0.3174 0.3868  -0.1257 -0.1321 12 VAL D O   
660 C CB  . VAL D 12 ? 0.6518 0.7227 0.3384 0.3984  -0.1394 -0.1497 12 VAL D CB  
661 C CG1 . VAL D 12 ? 0.6652 0.7363 0.3468 0.4055  -0.1443 -0.1540 12 VAL D CG1 
662 C CG2 . VAL D 12 ? 0.6429 0.7252 0.3402 0.3959  -0.1411 -0.1544 12 VAL D CG2 
663 N N   . GLU D 13 ? 0.6339 0.6924 0.3224 0.3824  -0.1265 -0.1331 13 GLU D N   
664 C CA  . GLU D 13 ? 0.6236 0.6808 0.3148 0.3769  -0.1217 -0.1286 13 GLU D CA  
665 C C   . GLU D 13 ? 0.6231 0.6664 0.3070 0.3729  -0.1162 -0.1192 13 GLU D C   
666 O O   . GLU D 13 ? 0.6533 0.6943 0.3369 0.3707  -0.1130 -0.1163 13 GLU D O   
667 C CB  . GLU D 13 ? 0.6348 0.6975 0.3322 0.3737  -0.1213 -0.1294 13 GLU D CB  
668 C CG  . GLU D 13 ? 0.7691 0.8430 0.4741 0.3738  -0.1220 -0.1343 13 GLU D CG  
669 C CD  . GLU D 13 ? 0.7661 0.8350 0.4707 0.3693  -0.1159 -0.1291 13 GLU D CD  
670 O OE1 . GLU D 13 ? 0.7610 0.8194 0.4591 0.3668  -0.1127 -0.1210 13 GLU D OE1 
671 O OE2 . GLU D 13 ? 0.7573 0.8308 0.4727 0.3641  -0.1103 -0.1339 13 GLU D OE2 
672 N N   . ALA D 14 ? 0.6221 0.6567 0.3003 0.3723  -0.1151 -0.1149 14 ALA D N   
673 C CA  . ALA D 14 ? 0.6228 0.6445 0.2940 0.3691  -0.1101 -0.1068 14 ALA D CA  
674 C C   . ALA D 14 ? 0.6301 0.6474 0.2953 0.3727  -0.1100 -0.1068 14 ALA D C   
675 O O   . ALA D 14 ? 0.6275 0.6389 0.2904 0.3702  -0.1062 -0.1023 14 ALA D O   
676 C CB  . ALA D 14 ? 0.6734 0.6872 0.3389 0.3690  -0.1095 -0.1031 14 ALA D CB  
677 N N   . LEU D 15 ? 0.6399 0.6603 0.3024 0.3793  -0.1145 -0.1122 15 LEU D N   
678 C CA  . LEU D 15 ? 0.6646 0.6810 0.3207 0.3840  -0.1148 -0.1129 15 LEU D CA  
679 C C   . LEU D 15 ? 0.6423 0.6652 0.3037 0.3835  -0.1145 -0.1155 15 LEU D C   
680 O O   . LEU D 15 ? 0.6446 0.6618 0.3014 0.3841  -0.1121 -0.1130 15 LEU D O   
681 C CB  . LEU D 15 ? 0.6608 0.6799 0.3130 0.3917  -0.1200 -0.1187 15 LEU D CB  
682 C CG  . LEU D 15 ? 0.6735 0.6808 0.3140 0.3952  -0.1191 -0.1148 15 LEU D CG  
683 C CD1 . LEU D 15 ? 0.6784 0.6747 0.3103 0.3959  -0.1151 -0.1098 15 LEU D CD1 
684 C CD2 . LEU D 15 ? 0.6705 0.6731 0.3105 0.3909  -0.1170 -0.1100 15 LEU D CD2 
685 N N   . TYR D 16 ? 0.6355 0.6704 0.3059 0.3829  -0.1169 -0.1208 16 TYR D N   
686 C CA  . TYR D 16 ? 0.6300 0.6712 0.3065 0.3816  -0.1155 -0.1236 16 TYR D CA  
687 C C   . TYR D 16 ? 0.6225 0.6579 0.2977 0.3766  -0.1106 -0.1166 16 TYR D C   
688 O O   . TYR D 16 ? 0.6221 0.6549 0.3006 0.3731  -0.1053 -0.1171 16 TYR D O   
689 C CB  . TYR D 16 ? 0.6437 0.6967 0.3333 0.3782  -0.1152 -0.1303 16 TYR D CB  
690 C CG  . TYR D 16 ? 0.6159 0.6721 0.3167 0.3707  -0.1078 -0.1324 16 TYR D CG  
691 C CD1 . TYR D 16 ? 0.6194 0.6778 0.3277 0.3689  -0.1036 -0.1387 16 TYR D CD1 
692 C CD2 . TYR D 16 ? 0.6875 0.7440 0.3908 0.3658  -0.1046 -0.1282 16 TYR D CD2 
693 C CE1 . TYR D 16 ? 0.6184 0.6793 0.3358 0.3625  -0.0966 -0.1406 16 TYR D CE1 
694 C CE2 . TYR D 16 ? 0.6011 0.6601 0.3130 0.3596  -0.0978 -0.1299 16 TYR D CE2 
695 C CZ  . TYR D 16 ? 0.6050 0.6662 0.3237 0.3581  -0.0938 -0.1361 16 TYR D CZ  
696 O OH  . TYR D 16 ? 0.6011 0.6643 0.3274 0.3523  -0.0868 -0.1378 16 TYR D OH  
697 N N   . LEU D 17 ? 0.6433 0.6750 0.3194 0.3713  -0.1079 -0.1113 17 LEU D N   
698 C CA  . LEU D 17 ? 0.6089 0.6350 0.2848 0.3659  -0.1029 -0.1050 17 LEU D CA  
699 C C   . LEU D 17 ? 0.6150 0.6304 0.2830 0.3667  -0.1006 -0.1009 17 LEU D C   
700 O O   . LEU D 17 ? 0.6140 0.6284 0.2811 0.3667  -0.0988 -0.0999 17 LEU D O   
701 C CB  . LEU D 17 ? 0.6131 0.6371 0.2917 0.3604  -0.1004 -0.1007 17 LEU D CB  
702 C CG  A LEU D 17 ? 0.6860 0.7199 0.3719 0.3593  -0.1016 -0.1040 17 LEU D CG  
703 C CG  B LEU D 17 ? 0.6777 0.6988 0.3582 0.3547  -0.0956 -0.0952 17 LEU D CG  
704 C CD1 A LEU D 17 ? 0.7369 0.7671 0.4242 0.3540  -0.0983 -0.0990 17 LEU D CD1 
705 C CD1 B LEU D 17 ? 0.6542 0.6840 0.3397 0.3551  -0.0955 -0.0980 17 LEU D CD1 
706 C CD2 A LEU D 17 ? 0.6608 0.7017 0.3503 0.3601  -0.1011 -0.1064 17 LEU D CD2 
707 C CD2 B LEU D 17 ? 0.7692 0.7879 0.4514 0.3503  -0.0936 -0.0916 17 LEU D CD2 
708 N N   . VAL D 18 ? 0.7039 0.7114 0.3654 0.3682  -0.1008 -0.0988 18 VAL D N   
709 C CA  . VAL D 18 ? 0.7326 0.7286 0.3855 0.3691  -0.0981 -0.0944 18 VAL D CA  
710 C C   . VAL D 18 ? 0.6456 0.6415 0.2940 0.3751  -0.0997 -0.0977 18 VAL D C   
711 O O   . VAL D 18 ? 0.6747 0.6656 0.3197 0.3750  -0.0971 -0.0954 18 VAL D O   
712 C CB  . VAL D 18 ? 0.6436 0.6313 0.2895 0.3706  -0.0981 -0.0918 18 VAL D CB  
713 C CG1 . VAL D 18 ? 0.7419 0.7176 0.3770 0.3735  -0.0956 -0.0882 18 VAL D CG1 
714 C CG2 . VAL D 18 ? 0.6299 0.6162 0.2793 0.3647  -0.0959 -0.0877 18 VAL D CG2 
715 N N   . CYS D 19 ? 0.6439 0.6457 0.2922 0.3809  -0.1041 -0.1038 19 CYS D N   
716 C CA  . CYS D 19 ? 0.7132 0.7129 0.3622 0.3823  -0.1013 -0.1084 19 CYS D CA  
717 C C   . CYS D 19 ? 0.7461 0.7508 0.4076 0.3751  -0.0955 -0.1119 19 CYS D C   
718 O O   . CYS D 19 ? 0.6657 0.6647 0.3278 0.3720  -0.0902 -0.1113 19 CYS D O   
719 C CB  . CYS D 19 ? 0.6604 0.6646 0.3104 0.3872  -0.1047 -0.1149 19 CYS D CB  
720 S SG  . CYS D 19 ? 0.6733 0.6713 0.3068 0.3970  -0.1117 -0.1116 19 CYS D SG  
721 N N   . GLY D 20 ? 0.9068 0.9221 0.5785 0.3722  -0.0961 -0.1159 20 GLY D N   
722 C CA  . GLY D 20 ? 0.9002 0.9202 0.5825 0.3659  -0.0904 -0.1191 20 GLY D CA  
723 C C   . GLY D 20 ? 0.9327 0.9542 0.6220 0.3650  -0.0863 -0.1269 20 GLY D C   
724 O O   . GLY D 20 ? 0.8300 0.8566 0.5232 0.3674  -0.0883 -0.1324 20 GLY D O   
725 N N   . GLU D 21 ? 0.8938 0.9112 0.5855 0.3615  -0.0803 -0.1280 21 GLU D N   
726 C CA  . GLU D 21 ? 0.7441 0.7623 0.4431 0.3600  -0.0752 -0.1357 21 GLU D CA  
727 C C   . GLU D 21 ? 0.7321 0.7446 0.4263 0.3655  -0.0763 -0.1382 21 GLU D C   
728 O O   . GLU D 21 ? 0.7866 0.8015 0.4874 0.3659  -0.0737 -0.1452 21 GLU D O   
729 C CB  . GLU D 21 ? 0.7667 0.7815 0.4688 0.3550  -0.0685 -0.1365 21 GLU D CB  
730 C CG  . GLU D 21 ? 0.7631 0.7840 0.4701 0.3500  -0.0667 -0.1348 21 GLU D CG  
731 C CD  . GLU D 21 ? 0.7410 0.7593 0.4506 0.3456  -0.0606 -0.1364 21 GLU D CD  
732 O OE1 . GLU D 21 ? 0.7358 0.7467 0.4430 0.3460  -0.0576 -0.1381 21 GLU D OE1 
733 O OE2 . GLU D 21 ? 0.7336 0.7571 0.4474 0.3418  -0.0584 -0.1363 21 GLU D OE2 
734 N N   . ARG D 22 ? 0.7061 0.7105 0.3886 0.3700  -0.0796 -0.1325 22 ARG D N   
735 C CA  . ARG D 22 ? 0.6761 0.6737 0.3523 0.3759  -0.0802 -0.1343 22 ARG D CA  
736 C C   . ARG D 22 ? 0.7495 0.7543 0.4270 0.3808  -0.0859 -0.1382 22 ARG D C   
737 O O   . ARG D 22 ? 0.7353 0.7390 0.4145 0.3842  -0.0847 -0.1436 22 ARG D O   
738 C CB  . ARG D 22 ? 0.6819 0.6683 0.3441 0.3796  -0.0818 -0.1270 22 ARG D CB  
739 C CG  . ARG D 22 ? 0.6892 0.6649 0.3499 0.3774  -0.0743 -0.1269 22 ARG D CG  
740 C CD  . ARG D 22 ? 0.7228 0.6867 0.3697 0.3809  -0.0749 -0.1196 22 ARG D CD  
741 N NE  . ARG D 22 ? 0.8019 0.7672 0.4460 0.3783  -0.0775 -0.1130 22 ARG D NE  
742 C CZ  . ARG D 22 ? 0.8441 0.7998 0.4777 0.3798  -0.0772 -0.1064 22 ARG D CZ  
743 N NH1 . ARG D 22 ? 0.8284 0.7721 0.4526 0.3838  -0.0742 -0.1051 22 ARG D NH1 
744 N NH2 . ARG D 22 ? 0.7602 0.7182 0.3930 0.3773  -0.0792 -0.1010 22 ARG D NH2 
745 N N   . GLY D 23 ? 0.7685 0.5039 0.6443 0.0959  -0.1603 -0.2271 23 GLY D N   
746 C CA  . GLY D 23 ? 0.6238 0.3830 0.5068 0.1019  -0.1381 -0.2225 23 GLY D CA  
747 C C   . GLY D 23 ? 0.6985 0.4628 0.6089 0.0943  -0.1355 -0.2145 23 GLY D C   
748 O O   . GLY D 23 ? 0.6449 0.3966 0.5717 0.0849  -0.1498 -0.2119 23 GLY D O   
749 N N   . PHE D 24 ? 0.9273 0.7094 0.8438 0.1002  -0.1194 -0.2105 24 PHE D N   
750 C CA  . PHE D 24 ? 0.8129 0.6005 0.7509 0.0961  -0.1166 -0.2034 24 PHE D CA  
751 C C   . PHE D 24 ? 0.8994 0.6960 0.8350 0.1070  -0.1036 -0.2032 24 PHE D C   
752 O O   . PHE D 24 ? 0.9031 0.7081 0.8274 0.1172  -0.0955 -0.2066 24 PHE D O   
753 C CB  . PHE D 24 ? 0.8151 0.6242 0.7762 0.0865  -0.1151 -0.1938 24 PHE D CB  
754 C CG  . PHE D 24 ? 0.9072 0.7418 0.8712 0.0882  -0.1049 -0.1898 24 PHE D CG  
755 C CD1 . PHE D 24 ? 0.9340 0.7841 0.9076 0.0925  -0.0974 -0.1852 24 PHE D CD1 
756 C CD2 . PHE D 24 ? 0.6612 0.5018 0.6199 0.0858  -0.1067 -0.1911 24 PHE D CD2 
757 C CE1 . PHE D 24 ? 0.5863 0.4558 0.5671 0.0942  -0.0947 -0.1828 24 PHE D CE1 
758 C CE2 . PHE D 24 ? 0.6299 0.4911 0.5951 0.0879  -0.1012 -0.1882 24 PHE D CE2 
759 C CZ  . PHE D 24 ? 0.7121 0.5871 0.6900 0.0920  -0.0966 -0.1843 24 PHE D CZ  
760 N N   . PHE D 25 ? 1.1474 0.9415 1.0952 0.1066  -0.1032 -0.1994 25 PHE D N   
761 C CA  . PHE D 25 ? 1.2286 1.0334 1.1811 0.1152  -0.0935 -0.1970 25 PHE D CA  
762 C C   . PHE D 25 ? 1.2226 1.0476 1.1946 0.1095  -0.0922 -0.1878 25 PHE D C   
763 O O   . PHE D 25 ? 1.3178 1.1380 1.2983 0.1041  -0.0976 -0.1844 25 PHE D O   
764 C CB  . PHE D 25 ? 1.2917 1.0746 1.2394 0.1222  -0.0960 -0.2009 25 PHE D CB  
765 C CG  . PHE D 25 ? 1.3261 1.0911 1.2505 0.1361  -0.0947 -0.2115 25 PHE D CG  
766 C CD1 . PHE D 25 ? 1.2255 0.9674 1.1305 0.1365  -0.1059 -0.2202 25 PHE D CD1 
767 C CD2 . PHE D 25 ? 1.4321 1.2017 1.3529 0.1517  -0.0842 -0.2134 25 PHE D CD2 
768 C CE1 . PHE D 25 ? 1.2533 0.9755 1.1297 0.1541  -0.1064 -0.2318 25 PHE D CE1 
769 C CE2 . PHE D 25 ? 1.3947 1.1475 1.2904 0.1701  -0.0815 -0.2238 25 PHE D CE2 
770 C CZ  . PHE D 25 ? 1.2734 1.0017 1.1439 0.1721  -0.0927 -0.2336 25 PHE D CZ  
771 N N   . TYR D 26 ? 0.9426 0.7873 0.9215 0.1134  -0.0878 -0.1854 26 TYR D N   
772 C CA  . TYR D 26 ? 0.8083 0.6687 0.8010 0.1107  -0.0908 -0.1790 26 TYR D CA  
773 C C   . TYR D 26 ? 0.7615 0.6237 0.7604 0.1191  -0.0915 -0.1786 26 TYR D C   
774 O O   . TYR D 26 ? 0.7494 0.6194 0.7547 0.1270  -0.0911 -0.1814 26 TYR D O   
775 C CB  . TYR D 26 ? 0.8137 0.6915 0.8138 0.1087  -0.0931 -0.1781 26 TYR D CB  
776 C CG  . TYR D 26 ? 0.6094 0.4984 0.6202 0.1087  -0.1005 -0.1738 26 TYR D CG  
777 C CD1 . TYR D 26 ? 0.6487 0.5373 0.6567 0.1051  -0.1023 -0.1699 26 TYR D CD1 
778 C CD2 . TYR D 26 ? 0.6412 0.5386 0.6645 0.1154  -0.1085 -0.1755 26 TYR D CD2 
779 C CE1 . TYR D 26 ? 0.6415 0.5357 0.6512 0.1096  -0.1102 -0.1680 26 TYR D CE1 
780 C CE2 . TYR D 26 ? 0.5869 0.4887 0.6158 0.1172  -0.1207 -0.1736 26 TYR D CE2 
781 C CZ  . TYR D 26 ? 0.5423 0.4416 0.5604 0.1151  -0.1206 -0.1698 26 TYR D CZ  
782 O OH  . TYR D 26 ? 0.4787 0.3778 0.4943 0.1216  -0.1337 -0.1696 26 TYR D OH  
783 N N   . THR D 27 ? 0.6344 0.4886 0.6329 0.1198  -0.0938 -0.1758 27 THR D N   
784 C CA  . THR D 27 ? 0.6521 0.5064 0.6550 0.1281  -0.0968 -0.1751 27 THR D CA  
785 C C   . THR D 27 ? 0.6554 0.5168 0.6587 0.1297  -0.1050 -0.1718 27 THR D C   
786 O O   . THR D 27 ? 0.6338 0.4891 0.6300 0.1292  -0.1044 -0.1696 27 THR D O   
787 C CB  . THR D 27 ? 0.6167 0.4516 0.6150 0.1320  -0.0945 -0.1759 27 THR D CB  
788 O OG1 . THR D 27 ? 0.7161 0.5408 0.7124 0.1291  -0.0971 -0.1733 27 THR D OG1 
789 C CG2 . THR D 27 ? 0.6655 0.4872 0.6566 0.1329  -0.0894 -0.1813 27 THR D CG2 
790 N N   . PRO D 28 ? 0.6331 0.5042 0.6437 0.1346  -0.1153 -0.1729 28 PRO D N   
791 C CA  . PRO D 28 ? 0.6484 0.5203 0.6516 0.1397  -0.1274 -0.1720 28 PRO D CA  
792 C C   . PRO D 28 ? 0.6650 0.5252 0.6573 0.1502  -0.1313 -0.1716 28 PRO D C   
793 O O   . PRO D 28 ? 0.6135 0.4667 0.6098 0.1523  -0.1259 -0.1716 28 PRO D O   
794 C CB  . PRO D 28 ? 0.6825 0.5638 0.7013 0.1416  -0.1439 -0.1756 28 PRO D CB  
795 C CG  . PRO D 28 ? 0.6717 0.5595 0.7088 0.1395  -0.1368 -0.1782 28 PRO D CG  
796 C CD  . PRO D 28 ? 0.6641 0.5429 0.6908 0.1390  -0.1195 -0.1768 28 PRO D CD  
797 N N   . LYS D 29 ? 0.7424 0.5984 0.7172 0.1596  -0.1416 -0.1718 29 LYS D N   
798 C CA  . LYS D 29 ? 0.8565 0.6995 0.8134 0.1740  -0.1473 -0.1718 29 LYS D CA  
799 C C   . LYS D 29 ? 0.7775 0.6191 0.7450 0.1785  -0.1626 -0.1754 29 LYS D C   
800 O O   . LYS D 29 ? 0.6241 0.4551 0.5843 0.1878  -0.1644 -0.1748 29 LYS D O   
801 C CB  . LYS D 29 ? 0.8883 0.7248 0.8144 0.1890  -0.1564 -0.1726 29 LYS D CB  
802 C CG  . LYS D 29 ? 1.0933 0.9312 1.0160 0.1927  -0.1803 -0.1777 29 LYS D CG  
803 C CD  . LYS D 29 ? 1.3607 1.1838 1.2640 0.2097  -0.2045 -0.1826 29 LYS D CD  
804 C CE  . LYS D 29 ? 1.5811 1.4013 1.4944 0.2112  -0.2361 -0.1888 29 LYS D CE  
805 N NZ  . LYS D 29 ? 1.9784 1.7784 1.8698 0.2293  -0.2670 -0.1950 29 LYS D NZ  
806 O OXT . LYS D 29 ? 0.7429 0.5928 0.7296 0.1742  -0.1750 -0.1790 29 LYS D OXT 
# 
