data_9LVX
# 
_entry.id   9LVX 
# 
_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   9LVX         pdb_00009lvx 10.2210/pdb9lvx/pdb 
WWPDB D_1300056590 ?            ?                   
# 
_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                        9LVX 
_pdbx_database_status.recvd_initial_deposition_date   2025-02-13 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              esraayan20@ku.edu.tr 
_pdbx_contact_author.name_first         Esra 
_pdbx_contact_author.name_last          Ayan 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7906-4426 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Ayan, E.'  1 ? 
'Bahar, I.' 2 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'di-hexamer form of insulin detemir at ambient temperature' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Ayan, E.'  1 ? 
primary 'Bahar, I.' 2 ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Insulin A chain' 2383.698 4   ? ? ? ? 
2 polymer     man 'Insulin B chain' 3332.849 4   ? ? ? ? 
3 non-polymer syn PHENOL            94.111   4   ? ? ? ? 
4 non-polymer syn 'ZINC ION'        65.409   4   ? ? ? ? 
5 non-polymer syn 'CHLORIDE ION'    35.453   4   ? ? ? ? 
6 non-polymer syn 'MYRISTIC ACID'   228.371  4   ? ? ? ? 
7 water       nat water             18.015   153 ? ? ? ? 
# 
_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,E,G ? 
2 'polypeptide(L)' no no FVNQHLCGSHLVEALYLVCGERGFFYTPK FVNQHLCGSHLVEALYLVCGERGFFYTPK B,D,F,H ? 
# 
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 
E 1 1  GLY 1  1  1  GLY GLY E . n 
E 1 2  ILE 2  2  2  ILE ILE E . n 
E 1 3  VAL 3  3  3  VAL VAL E . n 
E 1 4  GLU 4  4  4  GLU GLU E . n 
E 1 5  GLN 5  5  5  GLN GLN E . n 
E 1 6  CYS 6  6  6  CYS CYS E . n 
E 1 7  CYS 7  7  7  CYS CYS E . n 
E 1 8  THR 8  8  8  THR THR E . n 
E 1 9  SER 9  9  9  SER SER E . n 
E 1 10 ILE 10 10 10 ILE ILE E . n 
E 1 11 CYS 11 11 11 CYS CYS E . n 
E 1 12 SER 12 12 12 SER SER E . n 
E 1 13 LEU 13 13 13 LEU LEU E . n 
E 1 14 TYR 14 14 14 TYR TYR E . n 
E 1 15 GLN 15 15 15 GLN GLN E . n 
E 1 16 LEU 16 16 16 LEU LEU E . n 
E 1 17 GLU 17 17 17 GLU GLU E . n 
E 1 18 ASN 18 18 18 ASN ASN E . n 
E 1 19 TYR 19 19 19 TYR TYR E . n 
E 1 20 CYS 20 20 20 CYS CYS E . n 
E 1 21 ASN 21 21 21 ASN ASN E . n 
F 2 1  PHE 1  1  1  PHE PHE F . n 
F 2 2  VAL 2  2  2  VAL VAL F . n 
F 2 3  ASN 3  3  3  ASN ASN F . n 
F 2 4  GLN 4  4  4  GLN GLN F . n 
F 2 5  HIS 5  5  5  HIS HIS F . n 
F 2 6  LEU 6  6  6  LEU LEU F . n 
F 2 7  CYS 7  7  7  CYS CYS F . n 
F 2 8  GLY 8  8  8  GLY GLY F . n 
F 2 9  SER 9  9  9  SER SER F . n 
F 2 10 HIS 10 10 10 HIS HIS F . n 
F 2 11 LEU 11 11 11 LEU LEU F . n 
F 2 12 VAL 12 12 12 VAL VAL F . n 
F 2 13 GLU 13 13 13 GLU GLU F . n 
F 2 14 ALA 14 14 14 ALA ALA F . n 
F 2 15 LEU 15 15 15 LEU LEU F . n 
F 2 16 TYR 16 16 16 TYR TYR F . n 
F 2 17 LEU 17 17 17 LEU LEU F . n 
F 2 18 VAL 18 18 18 VAL VAL F . n 
F 2 19 CYS 19 19 19 CYS CYS F . n 
F 2 20 GLY 20 20 20 GLY GLY F . n 
F 2 21 GLU 21 21 21 GLU GLU F . n 
F 2 22 ARG 22 22 22 ARG ARG F . n 
F 2 23 GLY 23 23 23 GLY GLY F . n 
F 2 24 PHE 24 24 24 PHE PHE F . n 
F 2 25 PHE 25 25 25 PHE PHE F . n 
F 2 26 TYR 26 26 26 TYR TYR F . n 
F 2 27 THR 27 27 27 THR THR F . n 
F 2 28 PRO 28 28 28 PRO PRO F . n 
F 2 29 LYS 29 29 29 LYS LYS F . n 
G 1 1  GLY 1  1  1  GLY GLY G . n 
G 1 2  ILE 2  2  2  ILE ILE G . n 
G 1 3  VAL 3  3  3  VAL VAL G . n 
G 1 4  GLU 4  4  4  GLU GLU G . n 
G 1 5  GLN 5  5  5  GLN GLN G . n 
G 1 6  CYS 6  6  6  CYS CYS G . n 
G 1 7  CYS 7  7  7  CYS CYS G . n 
G 1 8  THR 8  8  8  THR THR G . n 
G 1 9  SER 9  9  9  SER SER G . n 
G 1 10 ILE 10 10 10 ILE ILE G . n 
G 1 11 CYS 11 11 11 CYS CYS G . n 
G 1 12 SER 12 12 12 SER SER G . n 
G 1 13 LEU 13 13 13 LEU LEU G . n 
G 1 14 TYR 14 14 14 TYR TYR G . n 
G 1 15 GLN 15 15 15 GLN GLN G . n 
G 1 16 LEU 16 16 16 LEU LEU G . n 
G 1 17 GLU 17 17 17 GLU GLU G . n 
G 1 18 ASN 18 18 18 ASN ASN G . n 
G 1 19 TYR 19 19 19 TYR TYR G . n 
G 1 20 CYS 20 20 20 CYS CYS G . n 
G 1 21 ASN 21 21 21 ASN ASN G . n 
H 2 1  PHE 1  1  1  PHE PHE H . n 
H 2 2  VAL 2  2  2  VAL VAL H . n 
H 2 3  ASN 3  3  3  ASN ASN H . n 
H 2 4  GLN 4  4  4  GLN GLN H . n 
H 2 5  HIS 5  5  5  HIS HIS H . n 
H 2 6  LEU 6  6  6  LEU LEU H . n 
H 2 7  CYS 7  7  7  CYS CYS H . n 
H 2 8  GLY 8  8  8  GLY GLY H . n 
H 2 9  SER 9  9  9  SER SER H . n 
H 2 10 HIS 10 10 10 HIS HIS H . n 
H 2 11 LEU 11 11 11 LEU LEU H . n 
H 2 12 VAL 12 12 12 VAL VAL H . n 
H 2 13 GLU 13 13 13 GLU GLU H . n 
H 2 14 ALA 14 14 14 ALA ALA H . n 
H 2 15 LEU 15 15 15 LEU LEU H . n 
H 2 16 TYR 16 16 16 TYR TYR H . n 
H 2 17 LEU 17 17 17 LEU LEU H . n 
H 2 18 VAL 18 18 18 VAL VAL H . n 
H 2 19 CYS 19 19 19 CYS CYS H . n 
H 2 20 GLY 20 20 20 GLY GLY H . n 
H 2 21 GLU 21 21 21 GLU GLU H . n 
H 2 22 ARG 22 22 22 ARG ARG H . n 
H 2 23 GLY 23 23 23 GLY GLY H . n 
H 2 24 PHE 24 24 24 PHE PHE H . n 
H 2 25 PHE 25 25 25 PHE PHE H . n 
H 2 26 TYR 26 26 26 TYR TYR H . n 
H 2 27 THR 27 27 27 THR THR H . n 
H 2 28 PRO 28 28 28 PRO PRO H . n 
H 2 29 LYS 29 29 29 LYS LYS H . 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 
I  3 IPH 1  101 22  IPH IPH B . 
J  4 ZN  1  102 30  ZN  ZN  B . 
K  5 CL  1  103 31  CL  CL  B . 
L  6 MYR 1  104 39  MYR MYR B . 
M  3 IPH 1  101 22  IPH IPH D . 
N  4 ZN  1  102 30  ZN  ZN  D . 
O  5 CL  1  103 31  CL  CL  D . 
P  6 MYR 1  104 39  MYR MYR D . 
Q  3 IPH 1  101 22  IPH IPH F . 
R  4 ZN  1  102 30  ZN  ZN  F . 
S  5 CL  1  103 31  CL  CL  F . 
T  6 MYR 1  104 39  MYR MYR F . 
U  3 IPH 1  101 22  IPH IPH H . 
V  4 ZN  1  102 30  ZN  ZN  H . 
W  5 CL  1  103 31  CL  CL  H . 
X  6 MYR 1  104 39  MYR MYR H . 
Y  7 HOH 1  101 123 HOH HOH A . 
Y  7 HOH 2  102 95  HOH HOH A . 
Y  7 HOH 3  103 52  HOH HOH A . 
Y  7 HOH 4  104 94  HOH HOH A . 
Y  7 HOH 5  105 23  HOH HOH A . 
Y  7 HOH 6  106 107 HOH HOH A . 
Y  7 HOH 7  107 122 HOH HOH A . 
Y  7 HOH 8  108 50  HOH HOH A . 
Y  7 HOH 9  109 85  HOH HOH A . 
Y  7 HOH 10 110 155 HOH HOH A . 
Y  7 HOH 11 111 48  HOH HOH A . 
Y  7 HOH 12 112 48  HOH HOH A . 
Y  7 HOH 13 113 64  HOH HOH A . 
Y  7 HOH 14 114 136 HOH HOH A . 
Y  7 HOH 15 115 134 HOH HOH A . 
Z  7 HOH 1  201 30  HOH HOH B . 
Z  7 HOH 2  202 45  HOH HOH B . 
Z  7 HOH 3  203 50  HOH HOH B . 
Z  7 HOH 4  204 56  HOH HOH B . 
Z  7 HOH 5  205 60  HOH HOH B . 
Z  7 HOH 6  206 40  HOH HOH B . 
Z  7 HOH 7  207 27  HOH HOH B . 
Z  7 HOH 8  208 63  HOH HOH B . 
Z  7 HOH 9  209 62  HOH HOH B . 
Z  7 HOH 10 210 44  HOH HOH B . 
Z  7 HOH 11 211 42  HOH HOH B . 
Z  7 HOH 12 212 47  HOH HOH B . 
Z  7 HOH 13 213 49  HOH HOH B . 
Z  7 HOH 14 214 35  HOH HOH B . 
Z  7 HOH 15 215 50  HOH HOH B . 
Z  7 HOH 16 216 43  HOH HOH B . 
Z  7 HOH 17 217 41  HOH HOH B . 
Z  7 HOH 18 218 61  HOH HOH B . 
Z  7 HOH 19 219 59  HOH HOH B . 
Z  7 HOH 20 220 54  HOH HOH B . 
Z  7 HOH 21 221 71  HOH HOH B . 
Z  7 HOH 22 222 57  HOH HOH B . 
Z  7 HOH 23 223 97  HOH HOH B . 
AA 7 HOH 1  101 26  HOH HOH C . 
AA 7 HOH 2  102 41  HOH HOH C . 
AA 7 HOH 3  103 42  HOH HOH C . 
AA 7 HOH 4  104 99  HOH HOH C . 
AA 7 HOH 5  105 52  HOH HOH C . 
AA 7 HOH 6  106 140 HOH HOH C . 
AA 7 HOH 7  107 139 HOH HOH C . 
AA 7 HOH 8  108 129 HOH HOH C . 
AA 7 HOH 9  109 44  HOH HOH C . 
AA 7 HOH 10 110 162 HOH HOH C . 
AA 7 HOH 11 111 23  HOH HOH C . 
AA 7 HOH 12 112 156 HOH HOH C . 
AA 7 HOH 13 113 55  HOH HOH C . 
AA 7 HOH 14 114 45  HOH HOH C . 
AA 7 HOH 15 115 103 HOH HOH C . 
AA 7 HOH 16 116 45  HOH HOH C . 
AA 7 HOH 17 117 53  HOH HOH C . 
AA 7 HOH 18 118 144 HOH HOH C . 
AA 7 HOH 19 119 32  HOH HOH C . 
BA 7 HOH 1  201 44  HOH HOH D . 
BA 7 HOH 2  202 51  HOH HOH D . 
BA 7 HOH 3  203 41  HOH HOH D . 
BA 7 HOH 4  204 53  HOH HOH D . 
BA 7 HOH 5  205 56  HOH HOH D . 
BA 7 HOH 6  206 47  HOH HOH D . 
BA 7 HOH 7  207 55  HOH HOH D . 
BA 7 HOH 8  208 42  HOH HOH D . 
BA 7 HOH 9  209 45  HOH HOH D . 
BA 7 HOH 10 210 58  HOH HOH D . 
BA 7 HOH 11 211 46  HOH HOH D . 
BA 7 HOH 12 212 113 HOH HOH D . 
BA 7 HOH 13 213 49  HOH HOH D . 
BA 7 HOH 14 214 46  HOH HOH D . 
BA 7 HOH 15 215 43  HOH HOH D . 
BA 7 HOH 16 216 120 HOH HOH D . 
BA 7 HOH 17 217 43  HOH HOH D . 
BA 7 HOH 18 218 141 HOH HOH D . 
BA 7 HOH 19 219 51  HOH HOH D . 
BA 7 HOH 20 220 121 HOH HOH D . 
BA 7 HOH 21 221 54  HOH HOH D . 
CA 7 HOH 1  101 29  HOH HOH E . 
CA 7 HOH 2  102 143 HOH HOH E . 
CA 7 HOH 3  103 44  HOH HOH E . 
CA 7 HOH 4  104 24  HOH HOH E . 
CA 7 HOH 5  105 41  HOH HOH E . 
CA 7 HOH 6  106 28  HOH HOH E . 
CA 7 HOH 7  107 25  HOH HOH E . 
CA 7 HOH 8  108 35  HOH HOH E . 
CA 7 HOH 9  109 34  HOH HOH E . 
CA 7 HOH 10 110 142 HOH HOH E . 
CA 7 HOH 11 111 36  HOH HOH E . 
DA 7 HOH 1  201 45  HOH HOH F . 
DA 7 HOH 2  202 53  HOH HOH F . 
DA 7 HOH 3  203 40  HOH HOH F . 
DA 7 HOH 4  204 48  HOH HOH F . 
DA 7 HOH 5  205 54  HOH HOH F . 
DA 7 HOH 6  206 33  HOH HOH F . 
DA 7 HOH 7  207 44  HOH HOH F . 
DA 7 HOH 8  208 31  HOH HOH F . 
DA 7 HOH 9  209 49  HOH HOH F . 
DA 7 HOH 10 210 55  HOH HOH F . 
DA 7 HOH 11 211 59  HOH HOH F . 
DA 7 HOH 12 212 49  HOH HOH F . 
DA 7 HOH 13 213 47  HOH HOH F . 
DA 7 HOH 14 214 46  HOH HOH F . 
DA 7 HOH 15 215 52  HOH HOH F . 
DA 7 HOH 16 216 27  HOH HOH F . 
DA 7 HOH 17 217 52  HOH HOH F . 
EA 7 HOH 1  101 53  HOH HOH G . 
EA 7 HOH 2  102 43  HOH HOH G . 
EA 7 HOH 3  103 48  HOH HOH G . 
EA 7 HOH 4  104 31  HOH HOH G . 
EA 7 HOH 5  105 25  HOH HOH G . 
EA 7 HOH 6  106 52  HOH HOH G . 
EA 7 HOH 7  107 32  HOH HOH G . 
EA 7 HOH 8  108 34  HOH HOH G . 
EA 7 HOH 9  109 26  HOH HOH G . 
EA 7 HOH 10 110 46  HOH HOH G . 
EA 7 HOH 11 111 36  HOH HOH G . 
EA 7 HOH 12 112 38  HOH HOH G . 
EA 7 HOH 13 113 66  HOH HOH G . 
EA 7 HOH 14 114 29  HOH HOH G . 
EA 7 HOH 15 115 42  HOH HOH G . 
EA 7 HOH 16 116 49  HOH HOH G . 
EA 7 HOH 17 117 23  HOH HOH G . 
EA 7 HOH 18 118 50  HOH HOH G . 
EA 7 HOH 19 119 35  HOH HOH G . 
EA 7 HOH 20 120 40  HOH HOH G . 
EA 7 HOH 21 121 33  HOH HOH G . 
EA 7 HOH 22 122 28  HOH HOH G . 
FA 7 HOH 1  201 47  HOH HOH H . 
FA 7 HOH 2  202 135 HOH HOH H . 
FA 7 HOH 3  203 48  HOH HOH H . 
FA 7 HOH 4  204 40  HOH HOH H . 
FA 7 HOH 5  205 56  HOH HOH H . 
FA 7 HOH 6  206 51  HOH HOH H . 
FA 7 HOH 7  207 24  HOH HOH H . 
FA 7 HOH 8  208 54  HOH HOH H . 
FA 7 HOH 9  209 42  HOH HOH H . 
FA 7 HOH 10 210 46  HOH HOH H . 
FA 7 HOH 11 211 55  HOH HOH H . 
FA 7 HOH 12 212 42  HOH HOH H . 
FA 7 HOH 13 213 37  HOH HOH H . 
FA 7 HOH 14 214 57  HOH HOH H . 
FA 7 HOH 15 215 58  HOH HOH H . 
FA 7 HOH 16 216 41  HOH HOH H . 
FA 7 HOH 17 217 47  HOH HOH H . 
FA 7 HOH 18 218 43  HOH HOH H . 
FA 7 HOH 19 219 45  HOH HOH H . 
FA 7 HOH 20 220 51  HOH HOH H . 
FA 7 HOH 21 221 50  HOH HOH H . 
FA 7 HOH 22 222 51  HOH HOH H . 
FA 7 HOH 23 223 30  HOH HOH H . 
FA 7 HOH 24 224 37  HOH HOH H . 
FA 7 HOH 25 225 39  HOH HOH H . 
# 
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 B GLU 21 ? CA ? B GLU 21 CA 
2 1 Y 0 D GLU 13 ? CD ? D GLU 13 CD 
3 1 Y 0 F GLU 13 ? CD ? F GLU 13 CD 
4 1 Y 0 H GLU 13 ? CD ? H GLU 13 CD 
# 
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' ? ? ? ? ? ? ? ? ? ? ? CrysalisPro ? ? ? .                    2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? CrysalisPro ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX      ? ? ? .                    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9LVX 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     80.898 
_cell.length_a_esd                 ? 
_cell.length_b                     80.898 
_cell.length_b_esd                 ? 
_cell.length_c                     80.414 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        36 
_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                         9LVX 
_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                   9LVX 
_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             2.21 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          44.46 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2M sodium acetate trihydrate, 0.1M tris hydrochloride pH 9' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     293 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'RIGAKU HyPix-Arc 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         2023-08-14 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.5 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU PhotonJet-R' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.5 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9LVX 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.7 
_reflns.d_resolution_low                               19.32 
_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                                     5361 
_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                           97.30 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                12.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          5.81 
_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                                   0.884 
_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                                    2.7 
_reflns_shell.d_res_low                                     2.797 
_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                             479 
_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                                  0.737 
_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                                 9LVX 
_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                            2.70 
_refine.ls_d_res_low                             19.32 
_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                     5233 
_refine.ls_number_reflns_R_free                  527 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    97.59 
_refine.ls_percent_reflns_R_free                 10.07 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2778 
_refine.ls_R_factor_R_free                       0.3223 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2728 
_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                          0.03 
_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                 36.26 
_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                            0.41 
_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        1592 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         96 
_refine_hist.number_atoms_solvent             153 
_refine_hist.number_atoms_total               1841 
_refine_hist.d_res_high                       2.70 
_refine_hist.d_res_low                        19.32 
# 
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  ? 1723 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.396  ? 2299 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 16.053 ? 627  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.032  ? 242  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.002  ? 290  ? 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' 2.70 2.80 . . 50 431 93.00  . . . . 0.3372 . . . . . . . . . . . 0.3506 
'X-RAY DIFFRACTION' 2.80 2.91 . . 52 460 96.00  . . . . 0.3270 . . . . . . . . . . . 0.3445 
'X-RAY DIFFRACTION' 2.91 3.04 . . 53 476 97.00  . . . . 0.3042 . . . . . . . . . . . 0.3503 
'X-RAY DIFFRACTION' 3.04 3.20 . . 56 464 97.00  . . . . 0.2966 . . . . . . . . . . . 0.3390 
'X-RAY DIFFRACTION' 3.20 3.40 . . 54 486 99.00  . . . . 0.2858 . . . . . . . . . . . 0.3040 
'X-RAY DIFFRACTION' 3.40 3.66 . . 49 471 98.00  . . . . 0.2853 . . . . . . . . . . . 0.3635 
'X-RAY DIFFRACTION' 3.66 4.02 . . 53 476 98.00  . . . . 0.2693 . . . . . . . . . . . 0.4263 
'X-RAY DIFFRACTION' 4.03 4.60 . . 52 485 100.00 . . . . 0.2318 . . . . . . . . . . . 0.2732 
'X-RAY DIFFRACTION' 4.60 5.75 . . 57 479 99.00  . . . . 0.2360 . . . . . . . . . . . 0.2719 
'X-RAY DIFFRACTION' 5.77 10.0 . . 51 478 97.00  . . . . 0.2663 . . . . . . . . . . . 0.2850 
# 
_struct.entry_id                     9LVX 
_struct.title                        'di-hexamer form of insulin detemir at ambient temperature' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9LVX 
_struct_keywords.text            'insulin structure, dihexamer insulin, ambient temperature, HORMONE' 
_struct_keywords.pdbx_keywords   HORMONE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A  N N 1 ? 
B  N N 2 ? 
C  N N 1 ? 
D  N N 2 ? 
E  N N 1 ? 
F  N N 2 ? 
G  N N 1 ? 
H  N N 2 ? 
I  N N 3 ? 
J  N N 4 ? 
K  N N 5 ? 
L  N N 6 ? 
M  N N 3 ? 
N  N N 4 ? 
O  N N 5 ? 
P  N N 6 ? 
Q  N N 3 ? 
R  N N 4 ? 
S  N N 5 ? 
T  N N 6 ? 
U  N N 3 ? 
V  N N 4 ? 
W  N N 5 ? 
X  N N 6 ? 
Y  N N 7 ? 
Z  N N 7 ? 
AA N N 7 ? 
BA N N 7 ? 
CA N N 7 ? 
DA N N 7 ? 
EA N N 7 ? 
FA 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 9LVX A 1 ? 21 ? P01308 90 ? 110 ? 1 21 
2 2 9LVX B 1 ? 29 ? P01308 25 ? 53  ? 1 29 
3 1 9LVX C 1 ? 21 ? P01308 90 ? 110 ? 1 21 
4 2 9LVX D 1 ? 29 ? P01308 25 ? 53  ? 1 29 
5 1 9LVX E 1 ? 21 ? P01308 90 ? 110 ? 1 21 
6 2 9LVX F 1 ? 29 ? P01308 25 ? 53  ? 1 29 
7 1 9LVX G 1 ? 21 ? P01308 90 ? 110 ? 1 21 
8 2 9LVX H 1 ? 29 ? P01308 25 ? 53  ? 1 29 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_and_software_defined_assembly PISA dodecameric 12 
2 author_and_software_defined_assembly PISA dodecameric 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)' 24440 ? 
1 MORE         -932  ? 
1 'SSA (A^2)'  10180 ? 
2 'ABSA (A^2)' 26730 ? 
2 MORE         -839  ? 
2 'SSA (A^2)'  11040 ? 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1,2,3 A,B,C,D,I,J,K,L,M,N,O,P,Y,Z,AA,BA   
2 1,2,3 E,F,G,H,Q,R,S,T,U,V,W,X,CA,DA,EA,FA 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000  0.0000000000 0.0000000000 0.0000000000  1.0000000000  
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_555 -y,x-y,z  -0.5000000000 -0.8660254038 0.0000000000 0.0000000000 0.8660254038  -0.5000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
3 'crystal symmetry operation' 3_555 -x+y,-x,z -0.5000000000 0.8660254038  0.0000000000 0.0000000000 -0.8660254038 -0.5000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1  AA1 GLY A 1  ? CYS A 7  ? GLY A 1  CYS A 7  1 ? 7  
HELX_P HELX_P2  AA2 SER A 12 ? GLU A 17 ? SER A 12 GLU A 17 1 ? 6  
HELX_P HELX_P3  AA3 ASN A 18 ? CYS A 20 ? ASN A 18 CYS A 20 5 ? 3  
HELX_P HELX_P4  AA4 VAL B 2  ? GLY B 20 ? VAL B 2  GLY B 20 1 ? 19 
HELX_P HELX_P5  AA5 ILE C 2  ? CYS C 7  ? ILE C 2  CYS C 7  1 ? 6  
HELX_P HELX_P6  AA6 SER C 12 ? GLU C 17 ? SER C 12 GLU C 17 1 ? 6  
HELX_P HELX_P7  AA7 ASN C 18 ? CYS C 20 ? ASN C 18 CYS C 20 5 ? 3  
HELX_P HELX_P8  AA8 VAL D 2  ? GLY D 20 ? VAL D 2  GLY D 20 1 ? 19 
HELX_P HELX_P9  AA9 ILE E 2  ? CYS E 7  ? ILE E 2  CYS E 7  1 ? 6  
HELX_P HELX_P10 AB1 SER E 12 ? GLU E 17 ? SER E 12 GLU E 17 1 ? 6  
HELX_P HELX_P11 AB2 ASN E 18 ? CYS E 20 ? ASN E 18 CYS E 20 5 ? 3  
HELX_P HELX_P12 AB3 VAL F 2  ? GLY F 20 ? VAL F 2  GLY F 20 1 ? 19 
HELX_P HELX_P13 AB4 GLU F 21 ? GLY F 23 ? GLU F 21 GLY F 23 5 ? 3  
HELX_P HELX_P14 AB5 ILE G 2  ? CYS G 7  ? ILE G 2  CYS G 7  1 ? 6  
HELX_P HELX_P15 AB6 SER G 12 ? GLU G 17 ? SER G 12 GLU G 17 1 ? 6  
HELX_P HELX_P16 AB7 ASN G 18 ? CYS G 20 ? ASN G 18 CYS G 20 5 ? 3  
HELX_P HELX_P17 AB8 VAL H 2  ? GLY H 20 ? VAL H 2  GLY H 20 1 ? 19 
HELX_P HELX_P18 AB9 GLU H 21 ? GLY H 23 ? GLU H 21 GLY H 23 5 ? 3  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1  disulf ?    ? A CYS 6  SG  ? ? ? 1_555 A CYS 11 SG  ? ? A CYS 6   A CYS 11  1_555 ? ? ? ? ? ? ? 2.029 ? ? 
disulf2  disulf ?    ? A CYS 7  SG  ? ? ? 1_555 B CYS 7  SG  ? ? A CYS 7   B CYS 7   1_555 ? ? ? ? ? ? ? 2.030 ? ? 
disulf3  disulf ?    ? A CYS 20 SG  ? ? ? 1_555 B CYS 19 SG  ? ? A CYS 20  B CYS 19  1_555 ? ? ? ? ? ? ? 2.033 ? ? 
disulf4  disulf ?    ? C CYS 6  SG  ? ? ? 1_555 C CYS 11 SG  ? ? C CYS 6   C CYS 11  1_555 ? ? ? ? ? ? ? 2.033 ? ? 
disulf5  disulf ?    ? C CYS 7  SG  ? ? ? 1_555 D CYS 7  SG  ? ? C CYS 7   D CYS 7   1_555 ? ? ? ? ? ? ? 2.031 ? ? 
disulf6  disulf ?    ? C CYS 20 SG  ? ? ? 1_555 D CYS 19 SG  ? ? C CYS 20  D CYS 19  1_555 ? ? ? ? ? ? ? 2.030 ? ? 
disulf7  disulf ?    ? E CYS 6  SG  ? ? ? 1_555 E CYS 11 SG  ? ? E CYS 6   E CYS 11  1_555 ? ? ? ? ? ? ? 2.031 ? ? 
disulf8  disulf ?    ? E CYS 7  SG  ? ? ? 1_555 F CYS 7  SG  ? ? E CYS 7   F CYS 7   1_555 ? ? ? ? ? ? ? 2.030 ? ? 
disulf9  disulf ?    ? E CYS 20 SG  ? ? ? 1_555 F CYS 19 SG  ? ? E CYS 20  F CYS 19  1_555 ? ? ? ? ? ? ? 2.034 ? ? 
disulf10 disulf ?    ? G CYS 6  SG  ? ? ? 1_555 G CYS 11 SG  ? ? G CYS 6   G CYS 11  1_555 ? ? ? ? ? ? ? 2.030 ? ? 
disulf11 disulf ?    ? G CYS 7  SG  ? ? ? 1_555 H CYS 7  SG  ? ? G CYS 7   H CYS 7   1_555 ? ? ? ? ? ? ? 2.033 ? ? 
disulf12 disulf ?    ? G CYS 20 SG  ? ? ? 1_555 H CYS 19 SG  ? ? G CYS 20  H CYS 19  1_555 ? ? ? ? ? ? ? 2.030 ? ? 
covale1  covale one  ? B LYS 29 NZ  ? ? ? 1_555 L MYR .  C1  ? ? B LYS 29  B MYR 104 1_555 ? ? ? ? ? ? ? 1.430 ? ? 
covale2  covale none ? L MYR .  C8  ? ? ? 1_555 X MYR .  C7  ? ? B MYR 104 H MYR 104 1_554 ? ? ? ? ? ? ? 1.492 ? ? 
covale3  covale one  ? D LYS 29 NZ  ? ? ? 1_555 P MYR .  C1  ? ? D LYS 29  D MYR 104 1_555 ? ? ? ? ? ? ? 1.430 ? ? 
covale4  covale none ? P MYR .  C6  ? ? ? 1_555 E THR 8  CG2 ? ? D MYR 104 E THR 8   1_555 ? ? ? ? ? ? ? 1.491 ? ? 
covale5  covale none ? P MYR .  C14 ? ? ? 1_555 T MYR .  C14 ? ? D MYR 104 F MYR 104 1_555 ? ? ? ? ? ? ? 1.491 ? ? 
covale6  covale one  ? F LYS 29 NZ  ? ? ? 1_555 T MYR .  C1  ? ? F LYS 29  F MYR 104 1_555 ? ? ? ? ? ? ? 1.431 ? ? 
covale7  covale one  ? H LYS 29 NZ  ? ? ? 1_555 X MYR .  C1  ? ? H LYS 29  H MYR 104 1_555 ? ? ? ? ? ? ? 1.430 ? ? 
metalc1  metalc ?    ? B HIS 10 NE2 ? ? ? 1_555 J ZN  .  ZN  ? ? B HIS 10  B ZN  102 1_555 ? ? ? ? ? ? ? 2.298 ? ? 
metalc2  metalc ?    ? B HIS 10 NE2 ? ? ? 1_555 J ZN  .  ZN  ? ? B HIS 10  B ZN  102 3_555 ? ? ? ? ? ? ? 2.179 ? ? 
metalc3  metalc ?    ? D HIS 10 NE2 ? ? ? 1_555 N ZN  .  ZN  ? ? D HIS 10  D ZN  102 1_555 ? ? ? ? ? ? ? 2.300 ? ? 
metalc4  metalc ?    ? D HIS 10 NE2 ? ? ? 1_555 N ZN  .  ZN  ? ? D HIS 10  D ZN  102 3_555 ? ? ? ? ? ? ? 2.109 ? ? 
metalc5  metalc ?    ? F HIS 10 NE2 ? ? ? 1_555 R ZN  .  ZN  ? ? F HIS 10  F ZN  102 1_555 ? ? ? ? ? ? ? 2.299 ? ? 
metalc6  metalc ?    ? F HIS 10 NE2 ? ? ? 1_555 R ZN  .  ZN  ? ? F HIS 10  F ZN  102 2_555 ? ? ? ? ? ? ? 2.169 ? ? 
metalc7  metalc ?    ? H HIS 10 NE2 ? ? ? 1_555 V ZN  .  ZN  ? ? H HIS 10  H ZN  102 1_555 ? ? ? ? ? ? ? 2.300 ? ? 
metalc8  metalc ?    ? H HIS 10 NE2 ? ? ? 1_555 V ZN  .  ZN  ? ? H HIS 10  H ZN  102 2_555 ? ? ? ? ? ? ? 2.200 ? ? 
# 
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 ? J 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 ? N ZN . ? D ZN 102 ? 1_555 NE2 ? D HIS 10 ? D HIS 10 ? 1_555 0.0 ? 
3 NE2 ? F HIS 10 ? F HIS 10 ? 1_555 ZN ? R ZN . ? F ZN 102 ? 1_555 NE2 ? F HIS 10 ? F HIS 10 ? 1_555 0.0 ? 
4 NE2 ? H HIS 10 ? H HIS 10 ? 1_555 ZN ? V ZN . ? H ZN 102 ? 1_555 NE2 ? H HIS 10 ? H 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 L .  ? LYS B 29 ? MYR B 104 ? 1_555 LYS B 29 ? 1_555 C1 NZ  LYS 1 MYR Myristoylation Lipid/lipid-like   
2  MYR P .  ? LYS D 29 ? MYR D 104 ? 1_555 LYS D 29 ? 1_555 C1 NZ  LYS 1 MYR Myristoylation Lipid/lipid-like   
3  MYR P .  ? THR E 8  ? MYR D 104 ? 1_555 THR E 8  ? 1_555 C6 CG2 THR 9 MYR Myristoylation Lipid/lipid-like   
4  MYR T .  ? LYS F 29 ? MYR F 104 ? 1_555 LYS F 29 ? 1_555 C1 NZ  LYS 1 MYR Myristoylation Lipid/lipid-like   
5  MYR X .  ? LYS H 29 ? MYR H 104 ? 1_555 LYS H 29 ? 1_555 C1 NZ  LYS 1 MYR Myristoylation Lipid/lipid-like   
6  CYS A 6  ? CYS A 11 ? CYS A 6   ? 1_555 CYS A 11 ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
7  CYS A 7  ? CYS B 7  ? CYS A 7   ? 1_555 CYS B 7  ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
8  CYS A 20 ? CYS B 19 ? CYS A 20  ? 1_555 CYS B 19 ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
9  CYS C 6  ? CYS C 11 ? CYS C 6   ? 1_555 CYS C 11 ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
10 CYS C 7  ? CYS D 7  ? CYS C 7   ? 1_555 CYS D 7  ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
11 CYS C 20 ? CYS D 19 ? CYS C 20  ? 1_555 CYS D 19 ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
12 CYS E 6  ? CYS E 11 ? CYS E 6   ? 1_555 CYS E 11 ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
13 CYS E 7  ? CYS F 7  ? CYS E 7   ? 1_555 CYS F 7  ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
14 CYS E 20 ? CYS F 19 ? CYS E 20  ? 1_555 CYS F 19 ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
15 CYS G 6  ? CYS G 11 ? CYS G 6   ? 1_555 CYS G 11 ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
16 CYS G 7  ? CYS H 7  ? CYS G 7   ? 1_555 CYS H 7  ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
17 CYS G 20 ? CYS H 19 ? CYS G 20  ? 1_555 CYS H 19 ? 1_555 SG SG  .   . .   None           'Disulfide bridge' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 2 ? 
AA2 ? 2 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA2 1 2 ? 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 
AA2 1 PHE F 24 ? TYR F 26 ? PHE F 24 TYR F 26 
AA2 2 PHE H 24 ? TYR H 26 ? PHE H 24 TYR H 26 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N PHE B 24 ? N PHE B 24 O TYR D 26 ? O TYR D 26 
AA2 1 2 N PHE F 24 ? N PHE F 24 O TYR H 26 ? O TYR H 26 
# 
_pdbx_entry_details.entry_id                   9LVX 
_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  H LYS 29  ? ? O1  H MYR 104 ? ? 1.58 
2 1 CG2 E THR 8   ? ? C5  D MYR 104 ? ? 1.77 
3 1 NZ  D LYS 29  ? ? O1  D MYR 104 ? ? 1.79 
4 1 NZ  B LYS 29  ? ? O1  B MYR 104 ? ? 1.93 
5 1 NZ  F LYS 29  ? ? O1  F MYR 104 ? ? 2.05 
6 1 C14 D MYR 104 ? ? C13 F MYR 104 ? ? 2.16 
7 1 O   B HOH 215 ? ? O   B HOH 218 ? ? 2.16 
8 1 CB  E THR 8   ? ? C6  D MYR 104 ? ? 2.19 
# 
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 ? J ZN . 
2 1 B CL 103 ? K CL . 
3 1 D ZN 102 ? N ZN . 
4 1 D CL 103 ? O CL . 
5 1 F ZN 102 ? R ZN . 
6 1 H ZN 102 ? V ZN . 
7 1 H CL 103 ? W 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 -12.6939 9.4242  -37.0718 0.3640 ? 0.2773  ? 0.2911  ? 0.2995 ? 0.2153  ? 0.6506  ? 4.1768 ? 
-2.3062 ? -0.5648 ? 1.4084 ? 0.7192  ? 1.3045 ? 0.1778  ? 0.2517  ? 0.2810  ? -0.1946 ? -0.1619 ? -0.1581 ? -0.1117 ? 0.0181  ? 
-0.2125 ? 
2  'X-RAY DIFFRACTION' ? refined -6.1364  12.2734 -37.1769 0.4280 ? 0.1638  ? 0.0996  ? 0.5012 ? 0.0753  ? 0.4585  ? 0.3324 ? 
0.5113  ? 0.2810  ? 1.8356 ? -0.5851 ? 2.1860 ? -0.0109 ? 0.2488  ? 0.0269  ? -0.7429 ? -0.1811 ? -0.1203 ? 0.4397  ? -0.1363 ? 
-0.0468 ? 
3  'X-RAY DIFFRACTION' ? refined -12.4689 16.3244 -28.3139 0.3749 ? 0.0128  ? 0.1668  ? 0.2035 ? 0.0218  ? 0.5687  ? 3.4481 ? 
1.0910  ? 0.3089  ? 2.3305 ? -1.8229 ? 2.9972 ? 0.2515  ? -0.1634 ? 0.5595  ? -0.2243 ? 0.5200  ? 0.3847  ? -0.4106 ? -0.3763 ? 
-0.1879 ? 
4  'X-RAY DIFFRACTION' ? refined -8.2477  5.8202  -28.1985 0.2595 ? 0.0004  ? 0.1026  ? 0.1922 ? 0.1096  ? 0.3466  ? 3.4907 ? 
-0.5258 ? -0.2885 ? 3.9467 ? -0.7707 ? 2.0558 ? -0.1448 ? 0.2862  ? 0.3783  ? 0.1404  ? -0.1430 ? 0.1612  ? 0.0461  ? -0.4304 ? 
-0.1607 ? 
5  'X-RAY DIFFRACTION' ? refined -16.9045 5.4763  -29.3504 0.3829 ? -0.1178 ? 0.1102  ? 0.4573 ? 0.0835  ? 0.0977  ? 3.0192 ? 
0.3421  ? -0.7293 ? 1.5641 ? -0.8508 ? 2.6677 ? 0.0595  ? 0.4193  ? 0.0770  ? -0.3108 ? 0.1544  ? 0.0909  ? 0.0609  ? -0.3096 ? 
0.5721  ? 
6  'X-RAY DIFFRACTION' ? refined -13.8475 -3.3317 -10.7462 0.2096 ? -0.0445 ? -0.0503 ? 0.3325 ? 0.0158  ? 0.3896  ? 2.5926 ? 
1.1436  ? 2.0230  ? 2.2685 ? -1.4336 ? 4.6501 ? -0.0032 ? -0.4092 ? 0.3211  ? 0.2307  ? 0.0950  ? 0.4243  ? -0.0241 ? -0.6835 ? 
-0.2305 ? 
7  'X-RAY DIFFRACTION' ? refined -19.1858 -6.3531 -19.9522 0.3713 ? -0.1268 ? 0.1076  ? 0.4487 ? 0.0215  ? 0.1925  ? 0.2498 ? 
-0.4824 ? 1.1421  ? 1.7343 ? -2.9472 ? 5.8766 ? 0.0283  ? 0.1366  ? 0.0914  ? -0.3775 ? -0.1155 ? 0.1099  ? 0.8646  ? 0.2574  ? 
-0.1528 ? 
8  'X-RAY DIFFRACTION' ? refined -9.6584  0.1903  -19.9252 0.5628 ? -0.0560 ? 0.0255  ? 0.1706 ? 0.0408  ? 0.1539  ? 4.4056 ? 
-0.4645 ? -1.2273 ? 3.1700 ? -0.4917 ? 2.0507 ? 0.3501  ? -0.4961 ? 0.3086  ? 0.1291  ? 0.1944  ? 0.1468  ? -0.0856 ? 0.2508  ? 
0.5707  ? 
9  'X-RAY DIFFRACTION' ? refined -16.8445 5.5496  -18.8158 0.3687 ? 0.3789  ? -0.0392 ? 0.5158 ? 0.2339  ? 0.1972  ? 4.1622 ? 
-1.5604 ? 1.0052  ? 6.6846 ? 0.7636  ? 3.5603 ? -0.0245 ? -0.3568 ? 0.0176  ? -0.0033 ? 0.1206  ? 0.1695  ? -0.2721 ? -0.3984 ? 
0.1972  ? 
10 'X-RAY DIFFRACTION' ? refined -10.0837 10.1493 2.8991   0.0645 ? 0.0212  ? 0.1832  ? 0.2280 ? -0.0070 ? 0.5698  ? 0.5254 ? 
0.3765  ? -0.2291 ? 0.8588 ? -0.2185 ? 0.2904 ? 0.0585  ? 0.0086  ? 0.0954  ? 0.1018  ? -0.0559 ? 0.2165  ? -0.0966 ? -0.1699 ? 
-0.0343 ? 
11 'X-RAY DIFFRACTION' ? refined -13.3330 15.3959 11.9296  0.3352 ? 0.1127  ? 0.1364  ? 0.2756 ? -0.0309 ? 0.5244  ? 3.3739 ? 
2.0252  ? -0.2047 ? 1.2250 ? -0.1565 ? 1.4780 ? 0.0470  ? -0.0706 ? 0.2125  ? 0.1236  ? 0.5694  ? 0.4635  ? -0.2419 ? -0.0205 ? 
-0.0354 ? 
12 'X-RAY DIFFRACTION' ? refined -8.5660  5.1642  11.9251  0.0656 ? 0.0374  ? 0.2840  ? 0.2807 ? -0.0770 ? -0.0672 ? 2.7845 ? 
1.0246  ? 0.6593  ? 1.8326 ? -0.5517 ? 5.0507 ? -0.3497 ? 0.3030  ? 0.1503  ? 0.1591  ? -0.1365 ? 0.3091  ? -0.5677 ? -0.4133 ? 
-0.9216 ? 
13 'X-RAY DIFFRACTION' ? refined -17.2647 4.5494  10.7921  0.3233 ? 0.3470  ? 0.1470  ? 0.3273 ? -0.1670 ? -0.0276 ? 2.1515 ? 
-0.2264 ? 0.4577  ? 0.0975 ? -0.2297 ? 0.5516 ? 0.2158  ? 0.4313  ? -0.1870 ? -0.1401 ? -0.0679 ? 0.0778  ? 0.0455  ? -0.0085 ? 
0.6179  ? 
14 'X-RAY DIFFRACTION' ? refined -13.5271 -4.4461 29.2733  0.3836 ? 0.0326  ? 0.0817  ? 0.4475 ? 0.1243  ? 0.1701  ? 3.7010 ? 
0.3350  ? 0.3581  ? 3.3317 ? -0.6389 ? 2.4155 ? 0.1806  ? -0.2540 ? 0.6158  ? 0.7823  ? 0.5090  ? 0.3890  ? -0.2212 ? -0.3094 ? 
-0.1309 ? 
15 'X-RAY DIFFRACTION' ? refined -18.6570 -7.7224 20.1662  0.3409 ? 0.0266  ? -0.0083 ? 0.1886 ? 0.0127  ? 0.3938  ? 0.3421 ? 
0.9714  ? -0.0597 ? 3.4758 ? -1.3188 ? 1.7930 ? 0.0045  ? 0.0729  ? 0.1271  ? -0.2863 ? -0.2549 ? 0.3668  ? -0.1308 ? -0.5369 ? 
-0.4086 ? 
16 'X-RAY DIFFRACTION' ? refined -9.6612  -0.3074 20.3021  0.1973 ? 0.0573  ? -0.0021 ? 0.2444 ? 0.0939  ? 0.1348  ? 3.7256 ? 
0.6805  ? 0.9974  ? 4.4228 ? 0.6904  ? 3.4610 ? 0.2454  ? -0.1382 ? 0.3094  ? 0.3821  ? 0.0979  ? 0.0188  ? -0.1349 ? 0.1423  ? 
-0.1013 ? 
17 'X-RAY DIFFRACTION' ? refined -17.0538 4.5056  21.4188  0.2346 ? 0.0583  ? 0.1892  ? 0.3926 ? 0.2319  ? 0.3953  ? 8.6800 ? 
-0.3709 ? 0.8675  ? 8.5528 ? -0.4243 ? 2.8703 ? 0.0367  ? -0.6567 ? 0.2468  ? 0.9252  ? 0.1767  ? 0.3760  ? -0.4123 ? -0.4358 ? 
-0.1114 ? 
# 
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 )
;
10 'X-RAY DIFFRACTION' 10 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'E' and (resid 1 through 12 )
;
11 'X-RAY DIFFRACTION' 11 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'E' and (resid 13 through 21 )
;
12 'X-RAY DIFFRACTION' 12 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'F' and (resid 1 through 22 )
;
13 'X-RAY DIFFRACTION' 13 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'F' and (resid 23 through 29 )
;
14 'X-RAY DIFFRACTION' 14 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'G' and (resid 1 through 12 )
;
15 'X-RAY DIFFRACTION' 15 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'G' and (resid 13 through 21 )
;
16 'X-RAY DIFFRACTION' 16 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'H' and (resid 1 through 22 )
;
17 'X-RAY DIFFRACTION' 17 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'H' and (resid 23 through 29 )
;
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
CL  CL   CL N N 58  
CYS N    N  N N 59  
CYS CA   C  N R 60  
CYS C    C  N N 61  
CYS O    O  N N 62  
CYS CB   C  N N 63  
CYS SG   S  N N 64  
CYS OXT  O  N N 65  
CYS H    H  N N 66  
CYS H2   H  N N 67  
CYS HA   H  N N 68  
CYS HB2  H  N N 69  
CYS HB3  H  N N 70  
CYS HG   H  N N 71  
CYS HXT  H  N N 72  
GLN N    N  N N 73  
GLN CA   C  N S 74  
GLN C    C  N N 75  
GLN O    O  N N 76  
GLN CB   C  N N 77  
GLN CG   C  N N 78  
GLN CD   C  N N 79  
GLN OE1  O  N N 80  
GLN NE2  N  N N 81  
GLN OXT  O  N N 82  
GLN H    H  N N 83  
GLN H2   H  N N 84  
GLN HA   H  N N 85  
GLN HB2  H  N N 86  
GLN HB3  H  N N 87  
GLN HG2  H  N N 88  
GLN HG3  H  N N 89  
GLN HE21 H  N N 90  
GLN HE22 H  N N 91  
GLN HXT  H  N N 92  
GLU N    N  N N 93  
GLU CA   C  N S 94  
GLU C    C  N N 95  
GLU O    O  N N 96  
GLU CB   C  N N 97  
GLU CG   C  N N 98  
GLU CD   C  N N 99  
GLU OE1  O  N N 100 
GLU OE2  O  N N 101 
GLU OXT  O  N N 102 
GLU H    H  N N 103 
GLU H2   H  N N 104 
GLU HA   H  N N 105 
GLU HB2  H  N N 106 
GLU HB3  H  N N 107 
GLU HG2  H  N N 108 
GLU HG3  H  N N 109 
GLU HE2  H  N N 110 
GLU HXT  H  N N 111 
GLY N    N  N N 112 
GLY CA   C  N N 113 
GLY C    C  N N 114 
GLY O    O  N N 115 
GLY OXT  O  N N 116 
GLY H    H  N N 117 
GLY H2   H  N N 118 
GLY HA2  H  N N 119 
GLY HA3  H  N N 120 
GLY HXT  H  N N 121 
HIS N    N  N N 122 
HIS CA   C  N S 123 
HIS C    C  N N 124 
HIS O    O  N N 125 
HIS CB   C  N N 126 
HIS CG   C  Y N 127 
HIS ND1  N  Y N 128 
HIS CD2  C  Y N 129 
HIS CE1  C  Y N 130 
HIS NE2  N  Y N 131 
HIS OXT  O  N N 132 
HIS H    H  N N 133 
HIS H2   H  N N 134 
HIS HA   H  N N 135 
HIS HB2  H  N N 136 
HIS HB3  H  N N 137 
HIS HD1  H  N N 138 
HIS HD2  H  N N 139 
HIS HE1  H  N N 140 
HIS HE2  H  N N 141 
HIS HXT  H  N N 142 
HOH O    O  N N 143 
HOH H1   H  N N 144 
HOH H2   H  N N 145 
ILE N    N  N N 146 
ILE CA   C  N S 147 
ILE C    C  N N 148 
ILE O    O  N N 149 
ILE CB   C  N S 150 
ILE CG1  C  N N 151 
ILE CG2  C  N N 152 
ILE CD1  C  N N 153 
ILE OXT  O  N N 154 
ILE H    H  N N 155 
ILE H2   H  N N 156 
ILE HA   H  N N 157 
ILE HB   H  N N 158 
ILE HG12 H  N N 159 
ILE HG13 H  N N 160 
ILE HG21 H  N N 161 
ILE HG22 H  N N 162 
ILE HG23 H  N N 163 
ILE HD11 H  N N 164 
ILE HD12 H  N N 165 
ILE HD13 H  N N 166 
ILE HXT  H  N N 167 
IPH C1   C  Y N 168 
IPH C2   C  Y N 169 
IPH C3   C  Y N 170 
IPH C4   C  Y N 171 
IPH C5   C  Y N 172 
IPH C6   C  Y N 173 
IPH O1   O  N N 174 
IPH H2   H  N N 175 
IPH H3   H  N N 176 
IPH H4   H  N N 177 
IPH H5   H  N N 178 
IPH H6   H  N N 179 
IPH HO1  H  N N 180 
LEU N    N  N N 181 
LEU CA   C  N S 182 
LEU C    C  N N 183 
LEU O    O  N N 184 
LEU CB   C  N N 185 
LEU CG   C  N N 186 
LEU CD1  C  N N 187 
LEU CD2  C  N N 188 
LEU OXT  O  N N 189 
LEU H    H  N N 190 
LEU H2   H  N N 191 
LEU HA   H  N N 192 
LEU HB2  H  N N 193 
LEU HB3  H  N N 194 
LEU HG   H  N N 195 
LEU HD11 H  N N 196 
LEU HD12 H  N N 197 
LEU HD13 H  N N 198 
LEU HD21 H  N N 199 
LEU HD22 H  N N 200 
LEU HD23 H  N N 201 
LEU HXT  H  N N 202 
LYS N    N  N N 203 
LYS CA   C  N S 204 
LYS C    C  N N 205 
LYS O    O  N N 206 
LYS CB   C  N N 207 
LYS CG   C  N N 208 
LYS CD   C  N N 209 
LYS CE   C  N N 210 
LYS NZ   N  N N 211 
LYS OXT  O  N N 212 
LYS H    H  N N 213 
LYS H2   H  N N 214 
LYS HA   H  N N 215 
LYS HB2  H  N N 216 
LYS HB3  H  N N 217 
LYS HG2  H  N N 218 
LYS HG3  H  N N 219 
LYS HD2  H  N N 220 
LYS HD3  H  N N 221 
LYS HE2  H  N N 222 
LYS HE3  H  N N 223 
LYS HZ1  H  N N 224 
LYS HZ2  H  N N 225 
LYS HZ3  H  N N 226 
LYS HXT  H  N N 227 
MYR C1   C  N N 228 
MYR O1   O  N N 229 
MYR O2   O  N N 230 
MYR C2   C  N N 231 
MYR C3   C  N N 232 
MYR C4   C  N N 233 
MYR C5   C  N N 234 
MYR C6   C  N N 235 
MYR C7   C  N N 236 
MYR C8   C  N N 237 
MYR C9   C  N N 238 
MYR C10  C  N N 239 
MYR C11  C  N N 240 
MYR C12  C  N N 241 
MYR C13  C  N N 242 
MYR C14  C  N N 243 
MYR HO2  H  N N 244 
MYR H21  H  N N 245 
MYR H22  H  N N 246 
MYR H31  H  N N 247 
MYR H32  H  N N 248 
MYR H41  H  N N 249 
MYR H42  H  N N 250 
MYR H51  H  N N 251 
MYR H52  H  N N 252 
MYR H61  H  N N 253 
MYR H62  H  N N 254 
MYR H71  H  N N 255 
MYR H72  H  N N 256 
MYR H81  H  N N 257 
MYR H82  H  N N 258 
MYR H91  H  N N 259 
MYR H92  H  N N 260 
MYR H101 H  N N 261 
MYR H102 H  N N 262 
MYR H111 H  N N 263 
MYR H112 H  N N 264 
MYR H121 H  N N 265 
MYR H122 H  N N 266 
MYR H131 H  N N 267 
MYR H132 H  N N 268 
MYR H141 H  N N 269 
MYR H142 H  N N 270 
MYR H143 H  N N 271 
PHE N    N  N N 272 
PHE CA   C  N S 273 
PHE C    C  N N 274 
PHE O    O  N N 275 
PHE CB   C  N N 276 
PHE CG   C  Y N 277 
PHE CD1  C  Y N 278 
PHE CD2  C  Y N 279 
PHE CE1  C  Y N 280 
PHE CE2  C  Y N 281 
PHE CZ   C  Y N 282 
PHE OXT  O  N N 283 
PHE H    H  N N 284 
PHE H2   H  N N 285 
PHE HA   H  N N 286 
PHE HB2  H  N N 287 
PHE HB3  H  N N 288 
PHE HD1  H  N N 289 
PHE HD2  H  N N 290 
PHE HE1  H  N N 291 
PHE HE2  H  N N 292 
PHE HZ   H  N N 293 
PHE HXT  H  N N 294 
PRO N    N  N N 295 
PRO CA   C  N S 296 
PRO C    C  N N 297 
PRO O    O  N N 298 
PRO CB   C  N N 299 
PRO CG   C  N N 300 
PRO CD   C  N N 301 
PRO OXT  O  N N 302 
PRO H    H  N N 303 
PRO HA   H  N N 304 
PRO HB2  H  N N 305 
PRO HB3  H  N N 306 
PRO HG2  H  N N 307 
PRO HG3  H  N N 308 
PRO HD2  H  N N 309 
PRO HD3  H  N N 310 
PRO HXT  H  N N 311 
SER N    N  N N 312 
SER CA   C  N S 313 
SER C    C  N N 314 
SER O    O  N N 315 
SER CB   C  N N 316 
SER OG   O  N N 317 
SER OXT  O  N N 318 
SER H    H  N N 319 
SER H2   H  N N 320 
SER HA   H  N N 321 
SER HB2  H  N N 322 
SER HB3  H  N N 323 
SER HG   H  N N 324 
SER HXT  H  N N 325 
THR N    N  N N 326 
THR CA   C  N S 327 
THR C    C  N N 328 
THR O    O  N N 329 
THR CB   C  N R 330 
THR OG1  O  N N 331 
THR CG2  C  N N 332 
THR OXT  O  N N 333 
THR H    H  N N 334 
THR H2   H  N N 335 
THR HA   H  N N 336 
THR HB   H  N N 337 
THR HG1  H  N N 338 
THR HG21 H  N N 339 
THR HG22 H  N N 340 
THR HG23 H  N N 341 
THR HXT  H  N N 342 
TYR N    N  N N 343 
TYR CA   C  N S 344 
TYR C    C  N N 345 
TYR O    O  N N 346 
TYR CB   C  N N 347 
TYR CG   C  Y N 348 
TYR CD1  C  Y N 349 
TYR CD2  C  Y N 350 
TYR CE1  C  Y N 351 
TYR CE2  C  Y N 352 
TYR CZ   C  Y N 353 
TYR OH   O  N N 354 
TYR OXT  O  N N 355 
TYR H    H  N N 356 
TYR H2   H  N N 357 
TYR HA   H  N N 358 
TYR HB2  H  N N 359 
TYR HB3  H  N N 360 
TYR HD1  H  N N 361 
TYR HD2  H  N N 362 
TYR HE1  H  N N 363 
TYR HE2  H  N N 364 
TYR HH   H  N N 365 
TYR HXT  H  N N 366 
VAL N    N  N N 367 
VAL CA   C  N S 368 
VAL C    C  N N 369 
VAL O    O  N N 370 
VAL CB   C  N N 371 
VAL CG1  C  N N 372 
VAL CG2  C  N N 373 
VAL OXT  O  N N 374 
VAL H    H  N N 375 
VAL H2   H  N N 376 
VAL HA   H  N N 377 
VAL HB   H  N N 378 
VAL HG11 H  N N 379 
VAL HG12 H  N N 380 
VAL HG13 H  N N 381 
VAL HG21 H  N N 382 
VAL HG22 H  N N 383 
VAL HG23 H  N N 384 
VAL HXT  H  N N 385 
ZN  ZN   ZN N N 386 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
CYS N   CA   sing N N 55  
CYS N   H    sing N N 56  
CYS N   H2   sing N N 57  
CYS CA  C    sing N N 58  
CYS CA  CB   sing N N 59  
CYS CA  HA   sing N N 60  
CYS C   O    doub N N 61  
CYS C   OXT  sing N N 62  
CYS CB  SG   sing N N 63  
CYS CB  HB2  sing N N 64  
CYS CB  HB3  sing N N 65  
CYS SG  HG   sing N N 66  
CYS OXT HXT  sing N N 67  
GLN N   CA   sing N N 68  
GLN N   H    sing N N 69  
GLN N   H2   sing N N 70  
GLN CA  C    sing N N 71  
GLN CA  CB   sing N N 72  
GLN CA  HA   sing N N 73  
GLN C   O    doub N N 74  
GLN C   OXT  sing N N 75  
GLN CB  CG   sing N N 76  
GLN CB  HB2  sing N N 77  
GLN CB  HB3  sing N N 78  
GLN CG  CD   sing N N 79  
GLN CG  HG2  sing N N 80  
GLN CG  HG3  sing N N 81  
GLN CD  OE1  doub N N 82  
GLN CD  NE2  sing N N 83  
GLN NE2 HE21 sing N N 84  
GLN NE2 HE22 sing N N 85  
GLN OXT HXT  sing N N 86  
GLU N   CA   sing N N 87  
GLU N   H    sing N N 88  
GLU N   H2   sing N N 89  
GLU CA  C    sing N N 90  
GLU CA  CB   sing N N 91  
GLU CA  HA   sing N N 92  
GLU C   O    doub N N 93  
GLU C   OXT  sing N N 94  
GLU CB  CG   sing N N 95  
GLU CB  HB2  sing N N 96  
GLU CB  HB3  sing N N 97  
GLU CG  CD   sing N N 98  
GLU CG  HG2  sing N N 99  
GLU CG  HG3  sing N N 100 
GLU CD  OE1  doub N N 101 
GLU CD  OE2  sing N N 102 
GLU OE2 HE2  sing N N 103 
GLU OXT HXT  sing N N 104 
GLY N   CA   sing N N 105 
GLY N   H    sing N N 106 
GLY N   H2   sing N N 107 
GLY CA  C    sing N N 108 
GLY CA  HA2  sing N N 109 
GLY CA  HA3  sing N N 110 
GLY C   O    doub N N 111 
GLY C   OXT  sing N N 112 
GLY OXT HXT  sing N N 113 
HIS N   CA   sing N N 114 
HIS N   H    sing N N 115 
HIS N   H2   sing N N 116 
HIS CA  C    sing N N 117 
HIS CA  CB   sing N N 118 
HIS CA  HA   sing N N 119 
HIS C   O    doub N N 120 
HIS C   OXT  sing N N 121 
HIS CB  CG   sing N N 122 
HIS CB  HB2  sing N N 123 
HIS CB  HB3  sing N N 124 
HIS CG  ND1  sing Y N 125 
HIS CG  CD2  doub Y N 126 
HIS ND1 CE1  doub Y N 127 
HIS ND1 HD1  sing N N 128 
HIS CD2 NE2  sing Y N 129 
HIS CD2 HD2  sing N N 130 
HIS CE1 NE2  sing Y N 131 
HIS CE1 HE1  sing N N 132 
HIS NE2 HE2  sing N N 133 
HIS OXT HXT  sing N N 134 
HOH O   H1   sing N N 135 
HOH O   H2   sing N N 136 
ILE N   CA   sing N N 137 
ILE N   H    sing N N 138 
ILE N   H2   sing N N 139 
ILE CA  C    sing N N 140 
ILE CA  CB   sing N N 141 
ILE CA  HA   sing N N 142 
ILE C   O    doub N N 143 
ILE C   OXT  sing N N 144 
ILE CB  CG1  sing N N 145 
ILE CB  CG2  sing N N 146 
ILE CB  HB   sing N N 147 
ILE CG1 CD1  sing N N 148 
ILE CG1 HG12 sing N N 149 
ILE CG1 HG13 sing N N 150 
ILE CG2 HG21 sing N N 151 
ILE CG2 HG22 sing N N 152 
ILE CG2 HG23 sing N N 153 
ILE CD1 HD11 sing N N 154 
ILE CD1 HD12 sing N N 155 
ILE CD1 HD13 sing N N 156 
ILE OXT HXT  sing N N 157 
IPH C1  C2   doub Y N 158 
IPH C1  C6   sing Y N 159 
IPH C1  O1   sing N N 160 
IPH C2  C3   sing Y N 161 
IPH C2  H2   sing N N 162 
IPH C3  C4   doub Y N 163 
IPH C3  H3   sing N N 164 
IPH C4  C5   sing Y N 165 
IPH C4  H4   sing N N 166 
IPH C5  C6   doub Y N 167 
IPH C5  H5   sing N N 168 
IPH C6  H6   sing N N 169 
IPH O1  HO1  sing N N 170 
LEU N   CA   sing N N 171 
LEU N   H    sing N N 172 
LEU N   H2   sing N N 173 
LEU CA  C    sing N N 174 
LEU CA  CB   sing N N 175 
LEU CA  HA   sing N N 176 
LEU C   O    doub N N 177 
LEU C   OXT  sing N N 178 
LEU CB  CG   sing N N 179 
LEU CB  HB2  sing N N 180 
LEU CB  HB3  sing N N 181 
LEU CG  CD1  sing N N 182 
LEU CG  CD2  sing N N 183 
LEU CG  HG   sing N N 184 
LEU CD1 HD11 sing N N 185 
LEU CD1 HD12 sing N N 186 
LEU CD1 HD13 sing N N 187 
LEU CD2 HD21 sing N N 188 
LEU CD2 HD22 sing N N 189 
LEU CD2 HD23 sing N N 190 
LEU OXT HXT  sing N N 191 
LYS N   CA   sing N N 192 
LYS N   H    sing N N 193 
LYS N   H2   sing N N 194 
LYS CA  C    sing N N 195 
LYS CA  CB   sing N N 196 
LYS CA  HA   sing N N 197 
LYS C   O    doub N N 198 
LYS C   OXT  sing N N 199 
LYS CB  CG   sing N N 200 
LYS CB  HB2  sing N N 201 
LYS CB  HB3  sing N N 202 
LYS CG  CD   sing N N 203 
LYS CG  HG2  sing N N 204 
LYS CG  HG3  sing N N 205 
LYS CD  CE   sing N N 206 
LYS CD  HD2  sing N N 207 
LYS CD  HD3  sing N N 208 
LYS CE  NZ   sing N N 209 
LYS CE  HE2  sing N N 210 
LYS CE  HE3  sing N N 211 
LYS NZ  HZ1  sing N N 212 
LYS NZ  HZ2  sing N N 213 
LYS NZ  HZ3  sing N N 214 
LYS OXT HXT  sing N N 215 
MYR C1  O1   doub N N 216 
MYR C1  O2   sing N N 217 
MYR C1  C2   sing N N 218 
MYR O2  HO2  sing N N 219 
MYR C2  C3   sing N N 220 
MYR C2  H21  sing N N 221 
MYR C2  H22  sing N N 222 
MYR C3  C4   sing N N 223 
MYR C3  H31  sing N N 224 
MYR C3  H32  sing N N 225 
MYR C4  C5   sing N N 226 
MYR C4  H41  sing N N 227 
MYR C4  H42  sing N N 228 
MYR C5  C6   sing N N 229 
MYR C5  H51  sing N N 230 
MYR C5  H52  sing N N 231 
MYR C6  C7   sing N N 232 
MYR C6  H61  sing N N 233 
MYR C6  H62  sing N N 234 
MYR C7  C8   sing N N 235 
MYR C7  H71  sing N N 236 
MYR C7  H72  sing N N 237 
MYR C8  C9   sing N N 238 
MYR C8  H81  sing N N 239 
MYR C8  H82  sing N N 240 
MYR C9  C10  sing N N 241 
MYR C9  H91  sing N N 242 
MYR C9  H92  sing N N 243 
MYR C10 C11  sing N N 244 
MYR C10 H101 sing N N 245 
MYR C10 H102 sing N N 246 
MYR C11 C12  sing N N 247 
MYR C11 H111 sing N N 248 
MYR C11 H112 sing N N 249 
MYR C12 C13  sing N N 250 
MYR C12 H121 sing N N 251 
MYR C12 H122 sing N N 252 
MYR C13 C14  sing N N 253 
MYR C13 H131 sing N N 254 
MYR C13 H132 sing N N 255 
MYR C14 H141 sing N N 256 
MYR C14 H142 sing N N 257 
MYR C14 H143 sing N N 258 
PHE N   CA   sing N N 259 
PHE N   H    sing N N 260 
PHE N   H2   sing N N 261 
PHE CA  C    sing N N 262 
PHE CA  CB   sing N N 263 
PHE CA  HA   sing N N 264 
PHE C   O    doub N N 265 
PHE C   OXT  sing N N 266 
PHE CB  CG   sing N N 267 
PHE CB  HB2  sing N N 268 
PHE CB  HB3  sing N N 269 
PHE CG  CD1  doub Y N 270 
PHE CG  CD2  sing Y N 271 
PHE CD1 CE1  sing Y N 272 
PHE CD1 HD1  sing N N 273 
PHE CD2 CE2  doub Y N 274 
PHE CD2 HD2  sing N N 275 
PHE CE1 CZ   doub Y N 276 
PHE CE1 HE1  sing N N 277 
PHE CE2 CZ   sing Y N 278 
PHE CE2 HE2  sing N N 279 
PHE CZ  HZ   sing N N 280 
PHE OXT HXT  sing N N 281 
PRO N   CA   sing N N 282 
PRO N   CD   sing N N 283 
PRO N   H    sing N N 284 
PRO CA  C    sing N N 285 
PRO CA  CB   sing N N 286 
PRO CA  HA   sing N N 287 
PRO C   O    doub N N 288 
PRO C   OXT  sing N N 289 
PRO CB  CG   sing N N 290 
PRO CB  HB2  sing N N 291 
PRO CB  HB3  sing N N 292 
PRO CG  CD   sing N N 293 
PRO CG  HG2  sing N N 294 
PRO CG  HG3  sing N N 295 
PRO CD  HD2  sing N N 296 
PRO CD  HD3  sing N N 297 
PRO OXT HXT  sing N N 298 
SER N   CA   sing N N 299 
SER N   H    sing N N 300 
SER N   H2   sing N N 301 
SER CA  C    sing N N 302 
SER CA  CB   sing N N 303 
SER CA  HA   sing N N 304 
SER C   O    doub N N 305 
SER C   OXT  sing N N 306 
SER CB  OG   sing N N 307 
SER CB  HB2  sing N N 308 
SER CB  HB3  sing N N 309 
SER OG  HG   sing N N 310 
SER OXT HXT  sing N N 311 
THR N   CA   sing N N 312 
THR N   H    sing N N 313 
THR N   H2   sing N N 314 
THR CA  C    sing N N 315 
THR CA  CB   sing N N 316 
THR CA  HA   sing N N 317 
THR C   O    doub N N 318 
THR C   OXT  sing N N 319 
THR CB  OG1  sing N N 320 
THR CB  CG2  sing N N 321 
THR CB  HB   sing N N 322 
THR OG1 HG1  sing N N 323 
THR CG2 HG21 sing N N 324 
THR CG2 HG22 sing N N 325 
THR CG2 HG23 sing N N 326 
THR OXT HXT  sing N N 327 
TYR N   CA   sing N N 328 
TYR N   H    sing N N 329 
TYR N   H2   sing N N 330 
TYR CA  C    sing N N 331 
TYR CA  CB   sing N N 332 
TYR CA  HA   sing N N 333 
TYR C   O    doub N N 334 
TYR C   OXT  sing N N 335 
TYR CB  CG   sing N N 336 
TYR CB  HB2  sing N N 337 
TYR CB  HB3  sing N N 338 
TYR CG  CD1  doub Y N 339 
TYR CG  CD2  sing Y N 340 
TYR CD1 CE1  sing Y N 341 
TYR CD1 HD1  sing N N 342 
TYR CD2 CE2  doub Y N 343 
TYR CD2 HD2  sing N N 344 
TYR CE1 CZ   doub Y N 345 
TYR CE1 HE1  sing N N 346 
TYR CE2 CZ   sing Y N 347 
TYR CE2 HE2  sing N N 348 
TYR CZ  OH   sing N N 349 
TYR OH  HH   sing N N 350 
TYR OXT HXT  sing N N 351 
VAL N   CA   sing N N 352 
VAL N   H    sing N N 353 
VAL N   H2   sing N N 354 
VAL CA  C    sing N N 355 
VAL CA  CB   sing N N 356 
VAL CA  HA   sing N N 357 
VAL C   O    doub N N 358 
VAL C   OXT  sing N N 359 
VAL CB  CG1  sing N N 360 
VAL CB  CG2  sing N N 361 
VAL CB  HB   sing N N 362 
VAL CG1 HG11 sing N N 363 
VAL CG1 HG12 sing N N 364 
VAL CG1 HG13 sing N N 365 
VAL CG2 HG21 sing N N 366 
VAL CG2 HG22 sing N N 367 
VAL CG2 HG23 sing N N 368 
VAL OXT HXT  sing N N 369 
# 
_pdbx_audit_support.funding_organization   'Other government' 
_pdbx_audit_support.country                Turkey 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   1XDA 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9LVX 
_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]   0.012361 
_atom_sites.fract_transf_matrix[1][2]   0.007137 
_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]   0.014274 
_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]   0.012436 
_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  ? -17.895 9.370   -37.585 1.00 50.24  ?  1   GLY A N   1 
ATOM   2    C  CA  . GLY A  1 1  ? -17.397 9.066   -36.257 1.00 48.68  ?  1   GLY A CA  1 
ATOM   3    C  C   . GLY A  1 1  ? -15.927 9.391   -36.077 1.00 41.00  ?  1   GLY A C   1 
ATOM   4    O  O   . GLY A  1 1  ? -15.312 10.026  -36.932 1.00 42.03  ?  1   GLY A O   1 
ATOM   5    N  N   . ILE A  1 2  ? -15.360 8.947   -34.953 1.00 38.56  ?  2   ILE A N   1 
ATOM   6    C  CA  . ILE A  1 2  ? -13.966 9.254   -34.653 1.00 35.74  ?  2   ILE A CA  1 
ATOM   7    C  C   . ILE A  1 2  ? -13.024 8.421   -35.515 1.00 36.28  ?  2   ILE A C   1 
ATOM   8    O  O   . ILE A  1 2  ? -11.906 8.854   -35.821 1.00 40.32  ?  2   ILE A O   1 
ATOM   9    C  CB  . ILE A  1 2  ? -13.692 9.058   -33.149 1.00 33.40  ?  2   ILE A CB  1 
ATOM   10   C  CG1 . ILE A  1 2  ? -12.303 9.583   -32.787 1.00 33.79  ?  2   ILE A CG1 1 
ATOM   11   C  CG2 . ILE A  1 2  ? -13.836 7.594   -32.757 1.00 33.10  ?  2   ILE A CG2 1 
ATOM   12   C  CD1 . ILE A  1 2  ? -11.944 9.399   -31.339 1.00 33.87  ?  2   ILE A CD1 1 
ATOM   13   N  N   . VAL A  1 3  ? -13.451 7.225   -35.927 1.00 40.98  ?  3   VAL A N   1 
ATOM   14   C  CA  . VAL A  1 3  ? -12.578 6.355   -36.710 1.00 45.07  ?  3   VAL A CA  1 
ATOM   15   C  C   . VAL A  1 3  ? -12.323 6.950   -38.089 1.00 47.93  ?  3   VAL A C   1 
ATOM   16   O  O   . VAL A  1 3  ? -11.197 6.915   -38.597 1.00 49.52  ?  3   VAL A O   1 
ATOM   17   C  CB  . VAL A  1 3  ? -13.180 4.942   -36.805 1.00 40.92  ?  3   VAL A CB  1 
ATOM   18   C  CG1 . VAL A  1 3  ? -12.177 3.981   -37.423 1.00 43.73  ?  3   VAL A CG1 1 
ATOM   19   C  CG2 . VAL A  1 3  ? -13.616 4.461   -35.429 1.00 40.29  ?  3   VAL A CG2 1 
ATOM   20   N  N   . GLU A  1 4  ? -13.358 7.501   -38.722 1.00 36.95  ?  4   GLU A N   1 
ATOM   21   C  CA  . GLU A  1 4  ? -13.182 8.105   -40.038 1.00 43.55  ?  4   GLU A CA  1 
ATOM   22   C  C   . GLU A  1 4  ? -12.489 9.459   -39.966 1.00 43.38  ?  4   GLU A C   1 
ATOM   23   O  O   . GLU A  1 4  ? -12.014 9.951   -40.995 1.00 44.13  ?  4   GLU A O   1 
ATOM   24   C  CB  . GLU A  1 4  ? -14.531 8.262   -40.744 1.00 41.93  ?  4   GLU A CB  1 
ATOM   25   C  CG  . GLU A  1 4  ? -15.309 6.968   -40.917 1.00 45.25  ?  4   GLU A CG  1 
ATOM   26   C  CD  . GLU A  1 4  ? -16.169 6.640   -39.715 1.00 44.78  ?  4   GLU A CD  1 
ATOM   27   O  OE1 . GLU A  1 4  ? -16.314 7.511   -38.833 1.00 41.85  ?  4   GLU A OE1 1 
ATOM   28   O  OE2 . GLU A  1 4  ? -16.698 5.511   -39.651 1.00 46.80  -1 4   GLU A OE2 1 
ATOM   29   N  N   . GLN A  1 5  ? -12.409 10.063  -38.782 1.00 39.26  ?  5   GLN A N   1 
ATOM   30   C  CA  . GLN A  1 5  ? -11.872 11.408  -38.620 1.00 42.71  ?  5   GLN A CA  1 
ATOM   31   C  C   . GLN A  1 5  ? -10.452 11.421  -38.069 1.00 43.43  ?  5   GLN A C   1 
ATOM   32   O  O   . GLN A  1 5  ? -9.564  12.037  -38.664 1.00 43.97  ?  5   GLN A O   1 
ATOM   33   C  CB  . GLN A  1 5  ? -12.788 12.227  -37.704 1.00 42.21  ?  5   GLN A CB  1 
ATOM   34   C  CG  . GLN A  1 5  ? -12.149 13.476  -37.113 1.00 47.32  ?  5   GLN A CG  1 
ATOM   35   C  CD  . GLN A  1 5  ? -12.144 14.654  -38.069 1.00 52.80  ?  5   GLN A CD  1 
ATOM   36   O  OE1 . GLN A  1 5  ? -11.932 14.496  -39.271 1.00 51.03  ?  5   GLN A OE1 1 
ATOM   37   N  NE2 . GLN A  1 5  ? -12.385 15.847  -37.536 1.00 56.09  ?  5   GLN A NE2 1 
ATOM   38   N  N   . CYS A  1 6  ? -10.218 10.751  -36.942 1.00 45.40  ?  6   CYS A N   1 
ATOM   39   C  CA  . CYS A  1 6  ? -8.943  10.825  -36.245 1.00 44.27  ?  6   CYS A CA  1 
ATOM   40   C  C   . CYS A  1 6  ? -8.017  9.655   -36.552 1.00 45.46  ?  6   CYS A C   1 
ATOM   41   O  O   . CYS A  1 6  ? -6.955  9.543   -35.933 1.00 46.09  ?  6   CYS A O   1 
ATOM   42   C  CB  . CYS A  1 6  ? -9.179  10.931  -34.739 1.00 42.63  ?  6   CYS A CB  1 
ATOM   43   S  SG  . CYS A  1 6  ? -9.973  12.479  -34.287 1.00 41.07  ?  6   CYS A SG  1 
ATOM   44   N  N   . CYS A  1 7  ? -8.392  8.779   -37.481 1.00 64.72  ?  7   CYS A N   1 
ATOM   45   C  CA  . CYS A  1 7  ? -7.501  7.714   -37.919 1.00 52.79  ?  7   CYS A CA  1 
ATOM   46   C  C   . CYS A  1 7  ? -6.999  7.893   -39.341 1.00 48.92  ?  7   CYS A C   1 
ATOM   47   O  O   . CYS A  1 7  ? -5.865  7.510   -39.632 1.00 49.24  ?  7   CYS A O   1 
ATOM   48   C  CB  . CYS A  1 7  ? -8.189  6.350   -37.791 1.00 48.63  ?  7   CYS A CB  1 
ATOM   49   S  SG  . CYS A  1 7  ? -8.238  5.726   -36.101 1.00 46.96  ?  7   CYS A SG  1 
ATOM   50   N  N   . THR A  1 8  ? -7.810  8.469   -40.230 1.00 49.75  ?  8   THR A N   1 
ATOM   51   C  CA  . THR A  1 8  ? -7.311  8.825   -41.553 1.00 52.58  ?  8   THR A CA  1 
ATOM   52   C  C   . THR A  1 8  ? -6.364  10.016  -41.485 1.00 52.20  ?  8   THR A C   1 
ATOM   53   O  O   . THR A  1 8  ? -5.413  10.099  -42.271 1.00 47.16  ?  8   THR A O   1 
ATOM   54   C  CB  . THR A  1 8  ? -8.479  9.122   -42.492 1.00 53.90  ?  8   THR A CB  1 
ATOM   55   O  OG1 . THR A  1 8  ? -9.069  10.380  -42.140 1.00 52.59  ?  8   THR A OG1 1 
ATOM   56   C  CG2 . THR A  1 8  ? -9.533  8.033   -42.374 1.00 56.93  ?  8   THR A CG2 1 
ATOM   57   N  N   . SER A  1 9  ? -6.606  10.941  -40.558 1.00 43.02  ?  9   SER A N   1 
ATOM   58   C  CA  . SER A  1 9  ? -5.741  12.089  -40.335 1.00 45.56  ?  9   SER A CA  1 
ATOM   59   C  C   . SER A  1 9  ? -5.490  12.248  -38.843 1.00 47.08  ?  9   SER A C   1 
ATOM   60   O  O   . SER A  1 9  ? -6.347  11.925  -38.017 1.00 49.68  ?  9   SER A O   1 
ATOM   61   C  CB  . SER A  1 9  ? -6.355  13.378  -40.902 1.00 46.19  ?  9   SER A CB  1 
ATOM   62   O  OG  . SER A  1 9  ? -5.529  14.498  -40.636 1.00 43.49  ?  9   SER A OG  1 
ATOM   63   N  N   . ILE A  1 10 ? -4.303  12.750  -38.502 1.00 41.59  ?  10  ILE A N   1 
ATOM   64   C  CA  . ILE A  1 10 ? -3.949  12.934  -37.100 1.00 42.81  ?  10  ILE A CA  1 
ATOM   65   C  C   . ILE A  1 10 ? -4.763  14.080  -36.516 1.00 44.46  ?  10  ILE A C   1 
ATOM   66   O  O   . ILE A  1 10 ? -4.796  15.187  -37.070 1.00 41.84  ?  10  ILE A O   1 
ATOM   67   C  CB  . ILE A  1 10 ? -2.441  13.182  -36.947 1.00 40.63  ?  10  ILE A CB  1 
ATOM   68   C  CG1 . ILE A  1 10 ? -1.662  11.898  -37.242 1.00 40.09  ?  10  ILE A CG1 1 
ATOM   69   C  CG2 . ILE A  1 10 ? -2.121  13.692  -35.548 1.00 38.77  ?  10  ILE A CG2 1 
ATOM   70   C  CD1 . ILE A  1 10 ? -0.171  12.015  -36.996 1.00 40.84  ?  10  ILE A CD1 1 
ATOM   71   N  N   . CYS A  1 11 ? -5.425  13.816  -35.394 1.00 40.95  ?  11  CYS A N   1 
ATOM   72   C  CA  . CYS A  1 11 ? -6.247  14.809  -34.721 1.00 34.82  ?  11  CYS A CA  1 
ATOM   73   C  C   . CYS A  1 11 ? -5.456  15.510  -33.626 1.00 40.61  ?  11  CYS A C   1 
ATOM   74   O  O   . CYS A  1 11 ? -4.659  14.886  -32.920 1.00 34.41  ?  11  CYS A O   1 
ATOM   75   C  CB  . CYS A  1 11 ? -7.491  14.161  -34.111 1.00 40.61  ?  11  CYS A CB  1 
ATOM   76   S  SG  . CYS A  1 11 ? -8.844  13.858  -35.256 1.00 41.20  ?  11  CYS A SG  1 
ATOM   77   N  N   . SER A  1 12 ? -5.684  16.813  -33.494 1.00 41.42  ?  12  SER A N   1 
ATOM   78   C  CA  . SER A  1 12 ? -5.154  17.559  -32.367 1.00 39.08  ?  12  SER A CA  1 
ATOM   79   C  C   . SER A  1 12 ? -5.928  17.206  -31.097 1.00 43.06  ?  12  SER A C   1 
ATOM   80   O  O   . SER A  1 12 ? -7.007  16.606  -31.138 1.00 33.05  ?  12  SER A O   1 
ATOM   81   C  CB  . SER A  1 12 ? -5.227  19.060  -32.640 1.00 35.90  ?  12  SER A CB  1 
ATOM   82   O  OG  . SER A  1 12 ? -5.008  19.808  -31.457 1.00 40.75  ?  12  SER A OG  1 
ATOM   83   N  N   . LEU A  1 13 ? -5.355  17.580  -29.949 1.00 39.75  ?  13  LEU A N   1 
ATOM   84   C  CA  . LEU A  1 13 ? -6.039  17.350  -28.680 1.00 34.15  ?  13  LEU A CA  1 
ATOM   85   C  C   . LEU A  1 13 ? -7.362  18.100  -28.619 1.00 37.22  ?  13  LEU A C   1 
ATOM   86   O  O   . LEU A  1 13 ? -8.312  17.632  -27.981 1.00 37.09  ?  13  LEU A O   1 
ATOM   87   C  CB  . LEU A  1 13 ? -5.147  17.758  -27.506 1.00 36.55  ?  13  LEU A CB  1 
ATOM   88   C  CG  . LEU A  1 13 ? -3.845  16.984  -27.279 1.00 36.59  ?  13  LEU A CG  1 
ATOM   89   C  CD1 . LEU A  1 13 ? -4.027  15.504  -27.590 1.00 35.14  ?  13  LEU A CD1 1 
ATOM   90   C  CD2 . LEU A  1 13 ? -2.692  17.577  -28.080 1.00 42.43  ?  13  LEU A CD2 1 
ATOM   91   N  N   . TYR A  1 14 ? -7.440  19.266  -29.265 1.00 41.10  ?  14  TYR A N   1 
ATOM   92   C  CA  . TYR A  1 14 ? -8.702  19.996  -29.325 1.00 40.91  ?  14  TYR A CA  1 
ATOM   93   C  C   . TYR A  1 14 ? -9.751  19.213  -30.106 1.00 37.68  ?  14  TYR A C   1 
ATOM   94   O  O   . TYR A  1 14 ? -10.925 19.178  -29.720 1.00 40.65  ?  14  TYR A O   1 
ATOM   95   C  CB  . TYR A  1 14 ? -8.478  21.374  -29.947 1.00 44.75  ?  14  TYR A CB  1 
ATOM   96   C  CG  . TYR A  1 14 ? -9.655  22.314  -29.806 1.00 50.96  ?  14  TYR A CG  1 
ATOM   97   C  CD1 . TYR A  1 14 ? -9.920  22.949  -28.600 1.00 54.58  ?  14  TYR A CD1 1 
ATOM   98   C  CD2 . TYR A  1 14 ? -10.495 22.573  -30.882 1.00 52.55  ?  14  TYR A CD2 1 
ATOM   99   C  CE1 . TYR A  1 14 ? -10.993 23.811  -28.466 1.00 58.37  ?  14  TYR A CE1 1 
ATOM   100  C  CE2 . TYR A  1 14 ? -11.570 23.434  -30.757 1.00 55.82  ?  14  TYR A CE2 1 
ATOM   101  C  CZ  . TYR A  1 14 ? -11.815 24.050  -29.547 1.00 59.41  ?  14  TYR A CZ  1 
ATOM   102  O  OH  . TYR A  1 14 ? -12.884 24.908  -29.418 1.00 59.31  ?  14  TYR A OH  1 
ATOM   103  N  N   . GLN A  1 15 ? -9.346  18.579  -31.211 1.00 44.77  ?  15  GLN A N   1 
ATOM   104  C  CA  . GLN A  1 15 ? -10.276 17.743  -31.963 1.00 44.10  ?  15  GLN A CA  1 
ATOM   105  C  C   . GLN A  1 15 ? -10.661 16.491  -31.185 1.00 41.79  ?  15  GLN A C   1 
ATOM   106  O  O   . GLN A  1 15 ? -11.777 15.983  -31.348 1.00 36.40  ?  15  GLN A O   1 
ATOM   107  C  CB  . GLN A  1 15 ? -9.675  17.372  -33.319 1.00 43.53  ?  15  GLN A CB  1 
ATOM   108  C  CG  . GLN A  1 15 ? -10.091 18.305  -34.450 1.00 45.81  ?  15  GLN A CG  1 
ATOM   109  C  CD  . GLN A  1 15 ? -9.157  18.240  -35.644 1.00 45.88  ?  15  GLN A CD  1 
ATOM   110  O  OE1 . GLN A  1 15 ? -8.055  17.698  -35.558 1.00 42.83  ?  15  GLN A OE1 1 
ATOM   111  N  NE2 . GLN A  1 15 ? -9.593  18.802  -36.766 1.00 46.07  ?  15  GLN A NE2 1 
ATOM   112  N  N   . LEU A  1 16 ? -9.761  15.978  -30.342 1.00 42.62  ?  16  LEU A N   1 
ATOM   113  C  CA  . LEU A  1 16 ? -10.112 14.842  -29.496 1.00 44.69  ?  16  LEU A CA  1 
ATOM   114  C  C   . LEU A  1 16 ? -11.131 15.228  -28.432 1.00 46.05  ?  16  LEU A C   1 
ATOM   115  O  O   . LEU A  1 16 ? -11.891 14.371  -27.967 1.00 41.67  ?  16  LEU A O   1 
ATOM   116  C  CB  . LEU A  1 16 ? -8.860  14.255  -28.843 1.00 40.84  ?  16  LEU A CB  1 
ATOM   117  C  CG  . LEU A  1 16 ? -7.836  13.612  -29.779 1.00 37.10  ?  16  LEU A CG  1 
ATOM   118  C  CD1 . LEU A  1 16 ? -6.723  12.947  -28.983 1.00 29.86  ?  16  LEU A CD1 1 
ATOM   119  C  CD2 . LEU A  1 16 ? -8.510  12.613  -30.708 1.00 35.31  ?  16  LEU A CD2 1 
ATOM   120  N  N   . GLU A  1 17 ? -11.163 16.504  -28.034 1.00 40.79  ?  17  GLU A N   1 
ATOM   121  C  CA  . GLU A  1 17 ? -12.128 16.951  -27.034 1.00 39.41  ?  17  GLU A CA  1 
ATOM   122  C  C   . GLU A  1 17 ? -13.566 16.827  -27.516 1.00 39.86  ?  17  GLU A C   1 
ATOM   123  O  O   . GLU A  1 17 ? -14.483 16.795  -26.688 1.00 40.67  ?  17  GLU A O   1 
ATOM   124  C  CB  . GLU A  1 17 ? -11.850 18.399  -26.631 1.00 43.75  ?  17  GLU A CB  1 
ATOM   125  C  CG  . GLU A  1 17 ? -10.716 18.569  -25.639 1.00 43.87  ?  17  GLU A CG  1 
ATOM   126  C  CD  . GLU A  1 17 ? -10.755 19.916  -24.945 1.00 50.60  ?  17  GLU A CD  1 
ATOM   127  O  OE1 . GLU A  1 17 ? -11.565 20.774  -25.356 1.00 54.25  ?  17  GLU A OE1 1 
ATOM   128  O  OE2 . GLU A  1 17 ? -9.982  20.114  -23.985 1.00 56.35  -1 17  GLU A OE2 1 
ATOM   129  N  N   . ASN A  1 18 ? -13.786 16.757  -28.830 1.00 40.11  ?  18  ASN A N   1 
ATOM   130  C  CA  . ASN A  1 18 ? -15.138 16.643  -29.359 1.00 41.70  ?  18  ASN A CA  1 
ATOM   131  C  C   . ASN A  1 18 ? -15.806 15.323  -29.000 1.00 35.96  ?  18  ASN A C   1 
ATOM   132  O  O   . ASN A  1 18 ? -17.027 15.208  -29.154 1.00 33.33  ?  18  ASN A O   1 
ATOM   133  C  CB  . ASN A  1 18 ? -15.122 16.817  -30.880 1.00 42.62  ?  18  ASN A CB  1 
ATOM   134  C  CG  . ASN A  1 18 ? -14.658 18.198  -31.305 1.00 44.85  ?  18  ASN A CG  1 
ATOM   135  O  OD1 . ASN A  1 18 ? -14.741 19.156  -30.536 1.00 41.98  ?  18  ASN A OD1 1 
ATOM   136  N  ND2 . ASN A  1 18 ? -14.171 18.307  -32.536 1.00 47.29  ?  18  ASN A ND2 1 
ATOM   137  N  N   . TYR A  1 19 ? -15.050 14.334  -28.525 1.00 34.08  ?  19  TYR A N   1 
ATOM   138  C  CA  . TYR A  1 19 ? -15.600 13.026  -28.194 1.00 34.01  ?  19  TYR A CA  1 
ATOM   139  C  C   . TYR A  1 19 ? -15.608 12.745  -26.696 1.00 32.98  ?  19  TYR A C   1 
ATOM   140  O  O   . TYR A  1 19 ? -15.836 11.600  -26.292 1.00 31.09  ?  19  TYR A O   1 
ATOM   141  C  CB  . TYR A  1 19 ? -14.833 11.933  -28.940 1.00 32.41  ?  19  TYR A CB  1 
ATOM   142  C  CG  . TYR A  1 19 ? -14.948 12.056  -30.442 1.00 33.33  ?  19  TYR A CG  1 
ATOM   143  C  CD1 . TYR A  1 19 ? -16.057 11.559  -31.114 1.00 32.61  ?  19  TYR A CD1 1 
ATOM   144  C  CD2 . TYR A  1 19 ? -13.956 12.680  -31.186 1.00 37.89  ?  19  TYR A CD2 1 
ATOM   145  C  CE1 . TYR A  1 19 ? -16.171 11.672  -32.486 1.00 33.32  ?  19  TYR A CE1 1 
ATOM   146  C  CE2 . TYR A  1 19 ? -14.061 12.799  -32.559 1.00 37.55  ?  19  TYR A CE2 1 
ATOM   147  C  CZ  . TYR A  1 19 ? -15.171 12.293  -33.203 1.00 32.62  ?  19  TYR A CZ  1 
ATOM   148  O  OH  . TYR A  1 19 ? -15.282 12.407  -34.570 1.00 37.34  ?  19  TYR A OH  1 
ATOM   149  N  N   . CYS A  1 20 ? -15.366 13.754  -25.864 1.00 30.49  ?  20  CYS A N   1 
ATOM   150  C  CA  . CYS A  1 20 ? -15.538 13.587  -24.431 1.00 32.41  ?  20  CYS A CA  1 
ATOM   151  C  C   . CYS A  1 20 ? -17.014 13.721  -24.061 1.00 33.31  ?  20  CYS A C   1 
ATOM   152  O  O   . CYS A  1 20 ? -17.814 14.307  -24.797 1.00 36.78  ?  20  CYS A O   1 
ATOM   153  C  CB  . CYS A  1 20 ? -14.709 14.613  -23.654 1.00 36.74  ?  20  CYS A CB  1 
ATOM   154  S  SG  . CYS A  1 20 ? -12.931 14.597  -24.003 1.00 33.47  ?  20  CYS A SG  1 
ATOM   155  N  N   . ASN A  1 21 ? -17.370 13.166  -22.907 1.00 34.24  ?  21  ASN A N   1 
ATOM   156  C  CA  . ASN A  1 21 ? -18.745 13.247  -22.415 1.00 35.65  ?  21  ASN A CA  1 
ATOM   157  C  C   . ASN A  1 21 ? -19.069 14.645  -21.898 1.00 39.54  ?  21  ASN A C   1 
ATOM   158  O  O   . ASN A  1 21 ? -20.231 15.047  -21.853 1.00 46.16  ?  21  ASN A O   1 
ATOM   159  C  CB  . ASN A  1 21 ? -18.992 12.220  -21.307 1.00 35.68  ?  21  ASN A CB  1 
ATOM   160  C  CG  . ASN A  1 21 ? -18.970 10.793  -21.815 1.00 33.95  ?  21  ASN A CG  1 
ATOM   161  O  OD1 . ASN A  1 21 ? -18.999 10.548  -23.022 1.00 35.87  ?  21  ASN A OD1 1 
ATOM   162  N  ND2 . ASN A  1 21 ? -18.933 9.840   -20.892 1.00 33.75  ?  21  ASN A ND2 1 
ATOM   163  O  OXT . ASN A  1 21 ? -18.180 15.404  -21.511 1.00 43.10  -1 21  ASN A OXT 1 
ATOM   164  N  N   . PHE B  2 1  ? -10.911 -4.520  -40.834 1.00 56.62  ?  1   PHE B N   1 
ATOM   165  C  CA  . PHE B  2 1  ? -9.590  -3.951  -41.075 1.00 55.19  ?  1   PHE B CA  1 
ATOM   166  C  C   . PHE B  2 1  ? -8.745  -3.985  -39.806 1.00 51.50  ?  1   PHE B C   1 
ATOM   167  O  O   . PHE B  2 1  ? -9.123  -3.407  -38.785 1.00 49.03  ?  1   PHE B O   1 
ATOM   168  C  CB  . PHE B  2 1  ? -9.707  -2.516  -41.590 1.00 56.47  ?  1   PHE B CB  1 
ATOM   169  C  CG  . PHE B  2 1  ? -8.708  -2.174  -42.655 1.00 61.83  ?  1   PHE B CG  1 
ATOM   170  C  CD1 . PHE B  2 1  ? -7.364  -2.044  -42.349 1.00 66.60  ?  1   PHE B CD1 1 
ATOM   171  C  CD2 . PHE B  2 1  ? -9.114  -1.986  -43.964 1.00 67.51  ?  1   PHE B CD2 1 
ATOM   172  C  CE1 . PHE B  2 1  ? -6.443  -1.733  -43.331 1.00 78.62  ?  1   PHE B CE1 1 
ATOM   173  C  CE2 . PHE B  2 1  ? -8.201  -1.674  -44.950 1.00 75.54  ?  1   PHE B CE2 1 
ATOM   174  C  CZ  . PHE B  2 1  ? -6.862  -1.550  -44.634 1.00 87.87  ?  1   PHE B CZ  1 
ATOM   175  N  N   . VAL B  2 2  ? -7.596  -4.661  -39.876 1.00 47.54  ?  2   VAL B N   1 
ATOM   176  C  CA  . VAL B  2 2  ? -6.745  -4.790  -38.698 1.00 44.29  ?  2   VAL B CA  1 
ATOM   177  C  C   . VAL B  2 2  ? -6.098  -3.456  -38.350 1.00 36.87  ?  2   VAL B C   1 
ATOM   178  O  O   . VAL B  2 2  ? -6.037  -3.069  -37.176 1.00 39.18  ?  2   VAL B O   1 
ATOM   179  C  CB  . VAL B  2 2  ? -5.692  -5.890  -38.917 1.00 42.78  ?  2   VAL B CB  1 
ATOM   180  C  CG1 . VAL B  2 2  ? -4.887  -6.115  -37.643 1.00 41.65  ?  2   VAL B CG1 1 
ATOM   181  C  CG2 . VAL B  2 2  ? -6.356  -7.178  -39.378 1.00 46.69  ?  2   VAL B CG2 1 
ATOM   182  N  N   . ASN B  2 3  ? -5.609  -2.727  -39.358 1.00 45.58  ?  3   ASN B N   1 
ATOM   183  C  CA  . ASN B  2 3  ? -4.963  -1.447  -39.086 1.00 44.09  ?  3   ASN B CA  1 
ATOM   184  C  C   . ASN B  2 3  ? -5.948  -0.437  -38.511 1.00 39.60  ?  3   ASN B C   1 
ATOM   185  O  O   . ASN B  2 3  ? -5.567  0.399   -37.684 1.00 40.66  ?  3   ASN B O   1 
ATOM   186  C  CB  . ASN B  2 3  ? -4.316  -0.901  -40.358 0.60 51.49  ?  3   ASN B CB  1 
ATOM   187  C  CG  . ASN B  2 3  ? -3.126  -0.005  -40.068 0.30 53.34  ?  3   ASN B CG  1 
ATOM   188  O  OD1 . ASN B  2 3  ? -3.116  0.739   -39.087 1.00 46.20  ?  3   ASN B OD1 1 
ATOM   189  N  ND2 . ASN B  2 3  ? -2.107  -0.084  -40.914 1.00 60.49  ?  3   ASN B ND2 1 
ATOM   190  N  N   . GLN B  2 4  ? -7.212  -0.496  -38.938 1.00 44.02  ?  4   GLN B N   1 
ATOM   191  C  CA  . GLN B  2 4  ? -8.245  0.332   -38.324 1.00 52.58  ?  4   GLN B CA  1 
ATOM   192  C  C   . GLN B  2 4  ? -8.423  -0.021  -36.852 1.00 38.50  ?  4   GLN B C   1 
ATOM   193  O  O   . GLN B  2 4  ? -8.619  0.865   -36.012 1.00 41.61  ?  4   GLN B O   1 
ATOM   194  C  CB  . GLN B  2 4  ? -9.561  0.168   -39.086 1.00 55.35  ?  4   GLN B CB  1 
ATOM   195  C  CG  . GLN B  2 4  ? -10.773 0.776   -38.404 1.00 49.23  ?  4   GLN B CG  1 
ATOM   196  C  CD  . GLN B  2 4  ? -12.061 0.432   -39.118 1.00 51.29  ?  4   GLN B CD  1 
ATOM   197  O  OE1 . GLN B  2 4  ? -12.047 -0.225  -40.159 1.00 54.27  ?  4   GLN B OE1 1 
ATOM   198  N  NE2 . GLN B  2 4  ? -13.184 0.870   -38.563 1.00 50.72  ?  4   GLN B NE2 1 
ATOM   199  N  N   . HIS B  2 5  ? -8.359  -1.315  -36.524 1.00 31.80  ?  5   HIS B N   1 
ATOM   200  C  CA  . HIS B  2 5  ? -8.457  -1.745  -35.132 1.00 31.63  ?  5   HIS B CA  1 
ATOM   201  C  C   . HIS B  2 5  ? -7.282  -1.228  -34.310 1.00 33.79  ?  5   HIS B C   1 
ATOM   202  O  O   . HIS B  2 5  ? -7.456  -0.822  -33.154 1.00 26.43  ?  5   HIS B O   1 
ATOM   203  C  CB  . HIS B  2 5  ? -8.537  -3.271  -35.061 1.00 30.47  ?  5   HIS B CB  1 
ATOM   204  C  CG  . HIS B  2 5  ? -8.547  -3.815  -33.666 1.00 28.96  ?  5   HIS B CG  1 
ATOM   205  N  ND1 . HIS B  2 5  ? -7.421  -4.329  -33.060 1.00 27.64  ?  5   HIS B ND1 1 
ATOM   206  C  CD2 . HIS B  2 5  ? -9.548  -3.930  -32.761 1.00 29.65  ?  5   HIS B CD2 1 
ATOM   207  C  CE1 . HIS B  2 5  ? -7.727  -4.734  -31.840 1.00 27.06  ?  5   HIS B CE1 1 
ATOM   208  N  NE2 . HIS B  2 5  ? -9.011  -4.503  -31.634 1.00 32.75  ?  5   HIS B NE2 1 
ATOM   209  N  N   . LEU B  2 6  ? -6.076  -1.240  -34.887 1.00 37.57  ?  6   LEU B N   1 
ATOM   210  C  CA  . LEU B  2 6  ? -4.908  -0.747  -34.164 1.00 32.19  ?  6   LEU B CA  1 
ATOM   211  C  C   . LEU B  2 6  ? -5.038  0.737   -33.844 1.00 30.97  ?  6   LEU B C   1 
ATOM   212  O  O   . LEU B  2 6  ? -4.726  1.165   -32.726 1.00 30.00  ?  6   LEU B O   1 
ATOM   213  C  CB  . LEU B  2 6  ? -3.634  -1.009  -34.969 1.00 30.19  ?  6   LEU B CB  1 
ATOM   214  C  CG  . LEU B  2 6  ? -3.367  -2.444  -35.424 1.00 30.41  ?  6   LEU B CG  1 
ATOM   215  C  CD1 . LEU B  2 6  ? -2.032  -2.533  -36.150 1.00 33.22  ?  6   LEU B CD1 1 
ATOM   216  C  CD2 . LEU B  2 6  ? -3.409  -3.404  -34.248 1.00 27.09  ?  6   LEU B CD2 1 
ATOM   217  N  N   . CYS B  2 7  ? -5.496  1.540   -34.812 1.00 33.00  ?  7   CYS B N   1 
ATOM   218  C  CA  . CYS B  2 7  ? -5.652  2.972   -34.570 1.00 33.09  ?  7   CYS B CA  1 
ATOM   219  C  C   . CYS B  2 7  ? -6.719  3.241   -33.517 1.00 32.36  ?  7   CYS B C   1 
ATOM   220  O  O   . CYS B  2 7  ? -6.558  4.131   -32.673 1.00 30.38  ?  7   CYS B O   1 
ATOM   221  C  CB  . CYS B  2 7  ? -5.985  3.702   -35.869 1.00 39.10  ?  7   CYS B CB  1 
ATOM   222  S  SG  . CYS B  2 7  ? -6.280  5.466   -35.634 1.00 32.48  ?  7   CYS B SG  1 
ATOM   223  N  N   . GLY B  2 8  ? -7.822  2.491   -33.559 1.00 31.49  ?  8   GLY B N   1 
ATOM   224  C  CA  . GLY B  2 8  ? -8.837  2.631   -32.531 1.00 30.65  ?  8   GLY B CA  1 
ATOM   225  C  C   . GLY B  2 8  ? -8.321  2.275   -31.152 1.00 28.34  ?  8   GLY B C   1 
ATOM   226  O  O   . GLY B  2 8  ? -8.762  2.845   -30.150 1.00 27.07  ?  8   GLY B O   1 
ATOM   227  N  N   . SER B  2 9  ? -7.388  1.326   -31.080 1.00 29.36  ?  9   SER B N   1 
ATOM   228  C  CA  . SER B  2 9  ? -6.767  0.998   -29.803 1.00 28.89  ?  9   SER B CA  1 
ATOM   229  C  C   . SER B  2 9  ? -5.998  2.190   -29.246 1.00 28.04  ?  9   SER B C   1 
ATOM   230  O  O   . SER B  2 9  ? -6.036  2.454   -28.039 1.00 25.03  ?  9   SER B O   1 
ATOM   231  C  CB  . SER B  2 9  ? -5.847  -0.210  -29.966 1.00 27.17  ?  9   SER B CB  1 
ATOM   232  O  OG  . SER B  2 9  ? -5.220  -0.538  -28.738 1.00 20.08  ?  9   SER B OG  1 
ATOM   233  N  N   . HIS B  2 10 ? -5.291  2.920   -30.112 1.00 23.40  ?  10  HIS B N   1 
ATOM   234  C  CA  . HIS B  2 10 ? -4.588  4.124   -29.683 1.00 30.22  ?  10  HIS B CA  1 
ATOM   235  C  C   . HIS B  2 10 ? -5.528  5.310   -29.504 1.00 26.46  ?  10  HIS B C   1 
ATOM   236  O  O   . HIS B  2 10 ? -5.222  6.225   -28.730 1.00 38.36  ?  10  HIS B O   1 
ATOM   237  C  CB  . HIS B  2 10 ? -3.488  4.476   -30.684 1.00 30.25  ?  10  HIS B CB  1 
ATOM   238  C  CG  . HIS B  2 10 ? -2.345  3.511   -30.688 1.00 25.27  ?  10  HIS B CG  1 
ATOM   239  N  ND1 . HIS B  2 10 ? -1.206  3.700   -29.934 1.00 26.95  ?  10  HIS B ND1 1 
ATOM   240  C  CD2 . HIS B  2 10 ? -2.165  2.345   -31.353 1.00 23.60  ?  10  HIS B CD2 1 
ATOM   241  C  CE1 . HIS B  2 10 ? -0.375  2.694   -30.137 1.00 21.80  ?  10  HIS B CE1 1 
ATOM   242  N  NE2 . HIS B  2 10 ? -0.933  1.858   -30.994 1.00 23.82  ?  10  HIS B NE2 1 
ATOM   243  N  N   . LEU B  2 11 ? -6.656  5.327   -30.219 1.00 22.87  ?  11  LEU B N   1 
ATOM   244  C  CA  . LEU B  2 11 ? -7.634  6.391   -30.019 1.00 22.75  ?  11  LEU B CA  1 
ATOM   245  C  C   . LEU B  2 11 ? -8.226  6.340   -28.617 1.00 25.89  ?  11  LEU B C   1 
ATOM   246  O  O   . LEU B  2 11 ? -8.429  7.383   -27.984 1.00 26.13  ?  11  LEU B O   1 
ATOM   247  C  CB  . LEU B  2 11 ? -8.744  6.298   -31.066 1.00 22.87  ?  11  LEU B CB  1 
ATOM   248  C  CG  . LEU B  2 11 ? -8.523  7.003   -32.407 1.00 25.67  ?  11  LEU B CG  1 
ATOM   249  C  CD1 . LEU B  2 11 ? -9.795  6.949   -33.231 1.00 28.99  ?  11  LEU B CD1 1 
ATOM   250  C  CD2 . LEU B  2 11 ? -8.082  8.443   -32.197 1.00 27.28  ?  11  LEU B CD2 1 
ATOM   251  N  N   . VAL B  2 12 ? -8.511  5.136   -28.117 1.00 32.61  ?  12  VAL B N   1 
ATOM   252  C  CA  . VAL B  2 12 ? -9.160  4.996   -26.815 1.00 32.30  ?  12  VAL B CA  1 
ATOM   253  C  C   . VAL B  2 12 ? -8.267  5.543   -25.707 1.00 34.08  ?  12  VAL B C   1 
ATOM   254  O  O   . VAL B  2 12 ? -8.723  6.286   -24.829 1.00 29.37  ?  12  VAL B O   1 
ATOM   255  C  CB  . VAL B  2 12 ? -9.541  3.526   -26.566 1.00 30.22  ?  12  VAL B CB  1 
ATOM   256  C  CG1 . VAL B  2 12 ? -9.728  3.266   -25.081 1.00 30.69  ?  12  VAL B CG1 1 
ATOM   257  C  CG2 . VAL B  2 12 ? -10.809 3.182   -27.330 1.00 28.19  ?  12  VAL B CG2 1 
ATOM   258  N  N   . GLU B  2 13 ? -6.978  5.190   -25.734 1.00 31.31  ?  13  GLU B N   1 
ATOM   259  C  CA  . GLU B  2 13 ? -6.078  5.664   -24.688 1.00 34.61  ?  13  GLU B CA  1 
ATOM   260  C  C   . GLU B  2 13 ? -5.822  7.162   -24.804 1.00 31.59  ?  13  GLU B C   1 
ATOM   261  O  O   . GLU B  2 13 ? -5.640  7.838   -23.784 1.00 35.97  ?  13  GLU B O   1 
ATOM   262  C  CB  . GLU B  2 13 ? -4.762  4.885   -24.721 1.00 39.35  ?  13  GLU B CB  1 
ATOM   263  C  CG  . GLU B  2 13 ? -4.020  4.933   -26.040 1.00 36.05  ?  13  GLU B CG  1 
ATOM   264  C  CD  . GLU B  2 13 ? -2.542  4.631   -25.879 1.00 39.40  ?  13  GLU B CD  1 
ATOM   265  O  OE1 . GLU B  2 13 ? -2.041  4.711   -24.738 1.00 44.83  ?  13  GLU B OE1 1 
ATOM   266  O  OE2 . GLU B  2 13 ? -1.880  4.315   -26.890 1.00 31.21  -1 13  GLU B OE2 1 
ATOM   267  N  N   . ALA B  2 14 ? -5.800  7.694   -26.028 1.00 35.18  ?  14  ALA B N   1 
ATOM   268  C  CA  . ALA B  2 14 ? -5.670  9.138   -26.200 1.00 34.63  ?  14  ALA B CA  1 
ATOM   269  C  C   . ALA B  2 14 ? -6.888  9.872   -25.649 1.00 30.08  ?  14  ALA B C   1 
ATOM   270  O  O   . ALA B  2 14 ? -6.751  10.907  -24.986 1.00 29.73  ?  14  ALA B O   1 
ATOM   271  C  CB  . ALA B  2 14 ? -5.457  9.475   -27.674 1.00 40.80  ?  14  ALA B CB  1 
ATOM   272  N  N   . LEU B  2 15 ? -8.088  9.347   -25.908 1.00 30.56  ?  15  LEU B N   1 
ATOM   273  C  CA  . LEU B  2 15 ? -9.305  9.958   -25.379 1.00 30.34  ?  15  LEU B CA  1 
ATOM   274  C  C   . LEU B  2 15 ? -9.335  9.911   -23.855 1.00 32.35  ?  15  LEU B C   1 
ATOM   275  O  O   . LEU B  2 15 ? -9.749  10.877  -23.204 1.00 31.96  ?  15  LEU B O   1 
ATOM   276  C  CB  . LEU B  2 15 ? -10.534 9.259   -25.958 1.00 27.44  ?  15  LEU B CB  1 
ATOM   277  C  CG  . LEU B  2 15 ? -11.175 9.847   -27.215 1.00 25.93  ?  15  LEU B CG  1 
ATOM   278  C  CD1 . LEU B  2 15 ? -10.130 10.203  -28.262 1.00 27.22  ?  15  LEU B CD1 1 
ATOM   279  C  CD2 . LEU B  2 15 ? -12.183 8.859   -27.778 1.00 27.43  ?  15  LEU B CD2 1 
ATOM   280  N  N   . TYR B  2 16 ? -8.910  8.788   -23.271 1.00 26.03  ?  16  TYR B N   1 
ATOM   281  C  CA  . TYR B  2 16 ? -8.902  8.654   -21.817 1.00 39.20  ?  16  TYR B CA  1 
ATOM   282  C  C   . TYR B  2 16 ? -7.982  9.683   -21.172 1.00 40.06  ?  16  TYR B C   1 
ATOM   283  O  O   . TYR B  2 16 ? -8.326  10.277  -20.142 1.00 43.28  ?  16  TYR B O   1 
ATOM   284  C  CB  . TYR B  2 16 ? -8.480  7.235   -21.429 1.00 33.33  ?  16  TYR B CB  1 
ATOM   285  C  CG  . TYR B  2 16 ? -8.240  7.046   -19.948 1.00 40.78  ?  16  TYR B CG  1 
ATOM   286  C  CD1 . TYR B  2 16 ? -9.301  6.871   -19.070 1.00 40.88  ?  16  TYR B CD1 1 
ATOM   287  C  CD2 . TYR B  2 16 ? -6.951  7.042   -19.427 1.00 39.01  ?  16  TYR B CD2 1 
ATOM   288  C  CE1 . TYR B  2 16 ? -9.086  6.698   -17.716 1.00 33.86  ?  16  TYR B CE1 1 
ATOM   289  C  CE2 . TYR B  2 16 ? -6.727  6.871   -18.076 1.00 40.79  ?  16  TYR B CE2 1 
ATOM   290  C  CZ  . TYR B  2 16 ? -7.797  6.699   -17.225 1.00 33.65  ?  16  TYR B CZ  1 
ATOM   291  O  OH  . TYR B  2 16 ? -7.572  6.528   -15.877 1.00 37.40  ?  16  TYR B OH  1 
ATOM   292  N  N   . LEU B  2 17 ? -6.804  9.900   -21.760 1.00 35.38  ?  17  LEU B N   1 
ATOM   293  C  CA  . LEU B  2 17 ? -5.865  10.867  -21.204 1.00 36.14  ?  17  LEU B CA  1 
ATOM   294  C  C   . LEU B  2 17 ? -6.356  12.299  -21.401 1.00 35.68  ?  17  LEU B C   1 
ATOM   295  O  O   . LEU B  2 17 ? -6.122  13.164  -20.548 1.00 37.95  ?  17  LEU B O   1 
ATOM   296  C  CB  . LEU B  2 17 ? -4.487  10.665  -21.834 1.00 37.76  ?  17  LEU B CB  1 
ATOM   297  C  CG  . LEU B  2 17 ? -3.257  11.289  -21.167 1.00 36.56  ?  17  LEU B CG  1 
ATOM   298  C  CD1 . LEU B  2 17 ? -2.945  12.635  -21.787 1.00 30.40  ?  17  LEU B CD1 1 
ATOM   299  C  CD2 . LEU B  2 17 ? -3.448  11.420  -19.659 1.00 40.34  ?  17  LEU B CD2 1 
ATOM   300  N  N   . VAL B  2 18 ? -7.037  12.568  -22.517 1.00 33.98  ?  18  VAL B N   1 
ATOM   301  C  CA  . VAL B  2 18 ? -7.490  13.926  -22.812 1.00 36.24  ?  18  VAL B CA  1 
ATOM   302  C  C   . VAL B  2 18 ? -8.725  14.283  -21.992 1.00 39.28  ?  18  VAL B C   1 
ATOM   303  O  O   . VAL B  2 18 ? -8.794  15.359  -21.387 1.00 45.81  ?  18  VAL B O   1 
ATOM   304  C  CB  . VAL B  2 18 ? -7.753  14.088  -24.321 1.00 30.37  ?  18  VAL B CB  1 
ATOM   305  C  CG1 . VAL B  2 18 ? -8.528  15.372  -24.593 1.00 35.59  ?  18  VAL B CG1 1 
ATOM   306  C  CG2 . VAL B  2 18 ? -6.440  14.094  -25.087 1.00 30.46  ?  18  VAL B CG2 1 
ATOM   307  N  N   . CYS B  2 19 ? -9.715  13.391  -21.951 1.00 44.98  ?  19  CYS B N   1 
ATOM   308  C  CA  . CYS B  2 19 ? -10.977 13.723  -21.298 1.00 52.97  ?  19  CYS B CA  1 
ATOM   309  C  C   . CYS B  2 19 ? -10.828 13.729  -19.781 1.00 61.27  ?  19  CYS B C   1 
ATOM   310  O  O   . CYS B  2 19 ? -11.081 14.745  -19.124 1.00 62.61  ?  19  CYS B O   1 
ATOM   311  C  CB  . CYS B  2 19 ? -12.068 12.747  -21.743 1.00 50.99  ?  19  CYS B CB  1 
ATOM   312  S  SG  . CYS B  2 19 ? -12.334 12.711  -23.533 1.00 30.67  ?  19  CYS B SG  1 
ATOM   313  N  N   . GLY B  2 20 ? -10.408 12.605  -19.208 1.00 77.48  ?  20  GLY B N   1 
ATOM   314  C  CA  . GLY B  2 20 ? -10.202 12.519  -17.776 1.00 76.39  ?  20  GLY B CA  1 
ATOM   315  C  C   . GLY B  2 20 ? -11.464 12.274  -16.974 1.00 73.54  ?  20  GLY B C   1 
ATOM   316  O  O   . GLY B  2 20 ? -12.085 11.213  -17.089 1.00 75.86  ?  20  GLY B O   1 
ATOM   317  N  N   . GLU B  2 21 ? -11.851 13.252  -16.149 1.00 66.43  ?  21  GLU B N   1 
ATOM   318  C  CA  . GLU B  2 21 ? -13.004 13.074  -15.271 0.00 62.72  ?  21  GLU B CA  1 
ATOM   319  C  C   . GLU B  2 21 ? -14.315 13.041  -16.044 1.00 58.32  ?  21  GLU B C   1 
ATOM   320  O  O   . GLU B  2 21 ? -15.259 12.360  -15.629 1.00 55.69  ?  21  GLU B O   1 
ATOM   321  C  CB  . GLU B  2 21 ? -13.038 14.183  -14.220 1.00 64.90  ?  21  GLU B CB  1 
ATOM   322  C  CG  . GLU B  2 21 ? -12.368 13.799  -12.919 1.00 62.83  ?  21  GLU B CG  1 
ATOM   323  C  CD  . GLU B  2 21 ? -13.040 12.609  -12.267 1.00 62.19  ?  21  GLU B CD  1 
ATOM   324  O  OE1 . GLU B  2 21 ? -14.268 12.665  -12.047 1.00 62.19  ?  21  GLU B OE1 1 
ATOM   325  O  OE2 . GLU B  2 21 ? -12.344 11.610  -11.990 1.00 63.60  -1 21  GLU B OE2 1 
ATOM   326  N  N   . ARG B  2 22 ? -14.397 13.773  -17.156 1.00 53.24  ?  22  ARG B N   1 
ATOM   327  C  CA  . ARG B  2 22 ? -15.634 13.805  -17.929 1.00 48.37  ?  22  ARG B CA  1 
ATOM   328  C  C   . ARG B  2 22 ? -15.969 12.441  -18.516 1.00 41.67  ?  22  ARG B C   1 
ATOM   329  O  O   . ARG B  2 22 ? -17.149 12.102  -18.661 1.00 40.88  ?  22  ARG B O   1 
ATOM   330  C  CB  . ARG B  2 22 ? -15.525 14.844  -19.044 1.00 48.16  ?  22  ARG B CB  1 
ATOM   331  C  CG  . ARG B  2 22 ? -15.513 16.283  -18.562 1.00 54.96  ?  22  ARG B CG  1 
ATOM   332  C  CD  A ARG B  2 22 ? -15.095 17.230  -19.672 0.53 60.82  ?  22  ARG B CD  1 
ATOM   333  C  CD  B ARG B  2 22 ? -15.173 17.227  -19.702 0.47 62.25  ?  22  ARG B CD  1 
ATOM   334  N  NE  A ARG B  2 22 ? -13.710 17.012  -20.073 0.53 53.09  ?  22  ARG B NE  1 
ATOM   335  N  NE  B ARG B  2 22 ? -16.086 17.075  -20.829 0.47 54.58  ?  22  ARG B NE  1 
ATOM   336  C  CZ  A ARG B  2 22 ? -13.084 17.706  -21.012 0.53 48.05  ?  22  ARG B CZ  1 
ATOM   337  C  CZ  B ARG B  2 22 ? -15.935 17.677  -22.001 0.47 47.93  ?  22  ARG B CZ  1 
ATOM   338  N  NH1 A ARG B  2 22 ? -13.692 18.674  -21.678 0.53 48.37  ?  22  ARG B NH1 1 
ATOM   339  N  NH1 B ARG B  2 22 ? -14.908 18.476  -22.240 0.47 46.67  ?  22  ARG B NH1 1 
ATOM   340  N  NH2 A ARG B  2 22 ? -11.814 17.422  -21.291 0.53 44.62  ?  22  ARG B NH2 1 
ATOM   341  N  NH2 B ARG B  2 22 ? -16.836 17.471  -22.957 0.47 44.38  ?  22  ARG B NH2 1 
ATOM   342  N  N   . GLY B  2 23 ? -14.956 11.647  -18.848 1.00 60.19  ?  23  GLY B N   1 
ATOM   343  C  CA  . GLY B  2 23 ? -15.177 10.408  -19.561 1.00 48.05  ?  23  GLY B CA  1 
ATOM   344  C  C   . GLY B  2 23 ? -15.296 10.647  -21.053 1.00 50.21  ?  23  GLY B C   1 
ATOM   345  O  O   . GLY B  2 23 ? -15.204 11.770  -21.552 1.00 42.29  ?  23  GLY B O   1 
ATOM   346  N  N   . PHE B  2 24 ? -15.512 9.557   -21.783 1.00 34.12  ?  24  PHE B N   1 
ATOM   347  C  CA  . PHE B  2 24 ? -15.586 9.634   -23.234 1.00 31.14  ?  24  PHE B CA  1 
ATOM   348  C  C   . PHE B  2 24 ? -16.482 8.522   -23.756 1.00 34.72  ?  24  PHE B C   1 
ATOM   349  O  O   . PHE B  2 24 ? -16.879 7.612   -23.023 1.00 33.56  ?  24  PHE B O   1 
ATOM   350  C  CB  . PHE B  2 24 ? -14.192 9.554   -23.870 1.00 25.76  ?  24  PHE B CB  1 
ATOM   351  C  CG  . PHE B  2 24 ? -13.499 8.237   -23.657 1.00 27.89  ?  24  PHE B CG  1 
ATOM   352  C  CD1 . PHE B  2 24 ? -12.795 7.989   -22.490 1.00 33.82  ?  24  PHE B CD1 1 
ATOM   353  C  CD2 . PHE B  2 24 ? -13.542 7.250   -24.629 1.00 29.81  ?  24  PHE B CD2 1 
ATOM   354  C  CE1 . PHE B  2 24 ? -12.153 6.779   -22.294 1.00 33.30  ?  24  PHE B CE1 1 
ATOM   355  C  CE2 . PHE B  2 24 ? -12.902 6.040   -24.438 1.00 24.71  ?  24  PHE B CE2 1 
ATOM   356  C  CZ  . PHE B  2 24 ? -12.207 5.804   -23.269 1.00 29.72  ?  24  PHE B CZ  1 
ATOM   357  N  N   . PHE B  2 25 ? -16.802 8.612   -25.045 1.00 35.55  ?  25  PHE B N   1 
ATOM   358  C  CA  . PHE B  2 25 ? -17.574 7.594   -25.741 1.00 31.84  ?  25  PHE B CA  1 
ATOM   359  C  C   . PHE B  2 25 ? -16.827 7.190   -27.002 1.00 29.79  ?  25  PHE B C   1 
ATOM   360  O  O   . PHE B  2 25 ? -16.329 8.049   -27.737 1.00 28.17  ?  25  PHE B O   1 
ATOM   361  C  CB  . PHE B  2 25 ? -18.982 8.094   -26.089 1.00 36.80  ?  25  PHE B CB  1 
ATOM   362  C  CG  . PHE B  2 25 ? -18.999 9.318   -26.960 1.00 35.53  ?  25  PHE B CG  1 
ATOM   363  C  CD1 . PHE B  2 25 ? -18.904 10.583  -26.404 1.00 34.60  ?  25  PHE B CD1 1 
ATOM   364  C  CD2 . PHE B  2 25 ? -19.119 9.205   -28.336 1.00 34.56  ?  25  PHE B CD2 1 
ATOM   365  C  CE1 . PHE B  2 25 ? -18.922 11.711  -27.201 1.00 33.84  ?  25  PHE B CE1 1 
ATOM   366  C  CE2 . PHE B  2 25 ? -19.137 10.328  -29.139 1.00 32.71  ?  25  PHE B CE2 1 
ATOM   367  C  CZ  . PHE B  2 25 ? -19.038 11.582  -28.571 1.00 31.70  ?  25  PHE B CZ  1 
ATOM   368  N  N   . TYR B  2 26 ? -16.739 5.885   -27.237 1.00 28.55  ?  26  TYR B N   1 
ATOM   369  C  CA  . TYR B  2 26 ? -16.143 5.336   -28.446 1.00 31.73  ?  26  TYR B CA  1 
ATOM   370  C  C   . TYR B  2 26 ? -17.199 4.522   -29.176 1.00 35.17  ?  26  TYR B C   1 
ATOM   371  O  O   . TYR B  2 26 ? -17.829 3.644   -28.581 1.00 37.28  ?  26  TYR B O   1 
ATOM   372  C  CB  . TYR B  2 26 ? -14.926 4.466   -28.119 1.00 31.10  ?  26  TYR B CB  1 
ATOM   373  C  CG  . TYR B  2 26 ? -14.224 3.914   -29.338 1.00 31.47  ?  26  TYR B CG  1 
ATOM   374  C  CD1 . TYR B  2 26 ? -13.344 4.699   -30.069 1.00 26.45  ?  26  TYR B CD1 1 
ATOM   375  C  CD2 . TYR B  2 26 ? -14.436 2.606   -29.753 1.00 34.85  ?  26  TYR B CD2 1 
ATOM   376  C  CE1 . TYR B  2 26 ? -12.697 4.200   -31.183 1.00 27.65  ?  26  TYR B CE1 1 
ATOM   377  C  CE2 . TYR B  2 26 ? -13.793 2.097   -30.866 1.00 37.93  ?  26  TYR B CE2 1 
ATOM   378  C  CZ  . TYR B  2 26 ? -12.925 2.898   -31.576 1.00 33.35  ?  26  TYR B CZ  1 
ATOM   379  O  OH  . TYR B  2 26 ? -12.281 2.398   -32.685 1.00 33.74  ?  26  TYR B OH  1 
ATOM   380  N  N   . THR B  2 27 ? -17.396 4.819   -30.456 1.00 36.65  ?  27  THR B N   1 
ATOM   381  C  CA  . THR B  2 27 ? -18.411 4.139   -31.262 1.00 44.61  ?  27  THR B CA  1 
ATOM   382  C  C   . THR B  2 27 ? -17.888 4.019   -32.685 1.00 48.43  ?  27  THR B C   1 
ATOM   383  O  O   . THR B  2 27 ? -17.963 4.978   -33.470 1.00 60.25  ?  27  THR B O   1 
ATOM   384  C  CB  . THR B  2 27 ? -19.744 4.880   -31.230 1.00 57.25  ?  27  THR B CB  1 
ATOM   385  O  OG1 . THR B  2 27 ? -20.096 5.179   -29.873 1.00 41.92  ?  27  THR B OG1 1 
ATOM   386  C  CG2 . THR B  2 27 ? -20.841 4.025   -31.848 1.00 58.70  ?  27  THR B CG2 1 
ATOM   387  N  N   . PRO B  2 28 ? -17.340 2.860   -33.055 1.00 41.27  ?  28  PRO B N   1 
ATOM   388  C  CA  . PRO B  2 28 ? -16.895 2.668   -34.442 1.00 47.69  ?  28  PRO B CA  1 
ATOM   389  C  C   . PRO B  2 28 ? -18.063 2.665   -35.415 1.00 52.68  ?  28  PRO B C   1 
ATOM   390  O  O   . PRO B  2 28 ? -18.026 3.347   -36.444 1.00 56.18  ?  28  PRO B O   1 
ATOM   391  C  CB  . PRO B  2 28 ? -16.186 1.308   -34.399 1.00 46.30  ?  28  PRO B CB  1 
ATOM   392  C  CG  . PRO B  2 28 ? -16.775 0.608   -33.221 1.00 45.37  ?  28  PRO B CG  1 
ATOM   393  C  CD  . PRO B  2 28 ? -17.082 1.678   -32.214 1.00 40.68  ?  28  PRO B CD  1 
ATOM   394  N  N   . LYS B  2 29 ? -19.104 1.904   -35.095 1.00 57.18  ?  29  LYS B N   1 
ATOM   395  C  CA  . LYS B  2 29 ? -20.305 1.850   -35.920 1.00 61.76  ?  29  LYS B CA  1 
ATOM   396  C  C   . LYS B  2 29 ? -21.543 2.173   -35.092 1.00 69.82  ?  29  LYS B C   1 
ATOM   397  O  O   . LYS B  2 29 ? -22.497 2.772   -35.586 1.00 77.25  ?  29  LYS B O   1 
ATOM   398  C  CB  . LYS B  2 29 ? -20.451 0.474   -36.572 1.00 57.64  ?  29  LYS B CB  1 
ATOM   399  C  CG  . LYS B  2 29 ? -20.238 0.475   -38.076 1.00 57.37  ?  29  LYS B CG  1 
ATOM   400  C  CD  . LYS B  2 29 ? -18.829 0.917   -38.435 1.00 56.27  ?  29  LYS B CD  1 
ATOM   401  C  CE  . LYS B  2 29 ? -17.795 -0.045  -37.873 1.00 54.15  ?  29  LYS B CE  1 
ATOM   402  N  NZ  . LYS B  2 29 ? -16.397 0.364   -38.187 1.00 56.66  ?  29  LYS B NZ  1 
ATOM   403  O  OXT . LYS B  2 29 ? -21.615 1.845   -33.907 1.00 66.74  -1 29  LYS B OXT 1 
ATOM   404  N  N   . GLY C  1 1  ? -20.115 2.045   -10.300 1.00 48.78  ?  1   GLY C N   1 
ATOM   405  C  CA  . GLY C  1 1  ? -19.285 2.410   -11.434 1.00 43.88  ?  1   GLY C CA  1 
ATOM   406  C  C   . GLY C  1 1  ? -18.283 1.331   -11.790 1.00 40.50  ?  1   GLY C C   1 
ATOM   407  O  O   . GLY C  1 1  ? -18.036 0.423   -10.998 1.00 43.70  ?  1   GLY C O   1 
ATOM   408  N  N   . ILE C  1 2  ? -17.714 1.418   -12.994 1.00 39.89  ?  2   ILE C N   1 
ATOM   409  C  CA  . ILE C  1 2  ? -16.753 0.409   -13.430 1.00 36.01  ?  2   ILE C CA  1 
ATOM   410  C  C   . ILE C  1 2  ? -15.462 0.505   -12.621 1.00 46.26  ?  2   ILE C C   1 
ATOM   411  O  O   . ILE C  1 2  ? -14.818 -0.511  -12.327 1.00 51.19  ?  2   ILE C O   1 
ATOM   412  C  CB  . ILE C  1 2  ? -16.502 0.532   -14.946 1.00 42.26  ?  2   ILE C CB  1 
ATOM   413  C  CG1 . ILE C  1 2  ? -15.612 -0.612  -15.434 1.00 42.69  ?  2   ILE C CG1 1 
ATOM   414  C  CG2 . ILE C  1 2  ? -15.907 1.898   -15.309 1.00 42.00  ?  2   ILE C CG2 1 
ATOM   415  C  CD1 . ILE C  1 2  ? -15.722 -0.877  -16.914 1.00 34.49  ?  2   ILE C CD1 1 
ATOM   416  N  N   . VAL C  1 3  ? -15.067 1.723   -12.243 1.00 39.24  ?  3   VAL C N   1 
ATOM   417  C  CA  . VAL C  1 3  ? -13.832 1.910   -11.488 1.00 44.90  ?  3   VAL C CA  1 
ATOM   418  C  C   . VAL C  1 3  ? -13.964 1.337   -10.081 1.00 41.95  ?  3   VAL C C   1 
ATOM   419  O  O   . VAL C  1 3  ? -13.057 0.659   -9.586  1.00 43.76  ?  3   VAL C O   1 
ATOM   420  C  CB  . VAL C  1 3  ? -13.454 3.403   -11.460 1.00 49.97  ?  3   VAL C CB  1 
ATOM   421  C  CG1 . VAL C  1 3  ? -12.242 3.632   -10.573 1.00 53.59  ?  3   VAL C CG1 1 
ATOM   422  C  CG2 . VAL C  1 3  ? -13.206 3.917   -12.869 1.00 47.26  ?  3   VAL C CG2 1 
ATOM   423  N  N   . GLU C  1 4  ? -15.091 1.601   -9.413  1.00 52.93  ?  4   GLU C N   1 
ATOM   424  C  CA  . GLU C  1 4  ? -15.279 1.118   -8.049  1.00 49.06  ?  4   GLU C CA  1 
ATOM   425  C  C   . GLU C  1 4  ? -15.339 -0.403  -7.991  1.00 51.85  ?  4   GLU C C   1 
ATOM   426  O  O   . GLU C  1 4  ? -14.977 -0.999  -6.970  1.00 58.09  ?  4   GLU C O   1 
ATOM   427  C  CB  . GLU C  1 4  ? -16.549 1.727   -7.452  1.00 55.23  ?  4   GLU C CB  1 
ATOM   428  C  CG  . GLU C  1 4  ? -16.768 1.400   -5.981  1.00 60.84  ?  4   GLU C CG  1 
ATOM   429  C  CD  . GLU C  1 4  ? -18.025 2.039   -5.424  1.00 69.98  ?  4   GLU C CD  1 
ATOM   430  O  OE1 . GLU C  1 4  ? -18.625 2.880   -6.125  1.00 70.71  ?  4   GLU C OE1 1 
ATOM   431  O  OE2 . GLU C  1 4  ? -18.416 1.701   -4.286  1.00 72.37  -1 4   GLU C OE2 1 
ATOM   432  N  N   . GLN C  1 5  ? -15.776 -1.049  -9.071  1.00 40.94  ?  5   GLN C N   1 
ATOM   433  C  CA  . GLN C  1 5  ? -15.943 -2.496  -9.058  1.00 41.64  ?  5   GLN C CA  1 
ATOM   434  C  C   . GLN C  1 5  ? -14.742 -3.236  -9.633  1.00 41.73  ?  5   GLN C C   1 
ATOM   435  O  O   . GLN C  1 5  ? -14.356 -4.285  -9.105  1.00 35.60  ?  5   GLN C O   1 
ATOM   436  C  CB  . GLN C  1 5  ? -17.209 -2.883  -9.827  1.00 41.97  ?  5   GLN C CB  1 
ATOM   437  C  CG  . GLN C  1 5  ? -17.523 -4.366  -9.779  1.00 42.39  ?  5   GLN C CG  1 
ATOM   438  C  CD  . GLN C  1 5  ? -18.882 -4.687  -10.362 1.00 42.14  ?  5   GLN C CD  1 
ATOM   439  O  OE1 . GLN C  1 5  ? -19.202 -4.281  -11.480 1.00 39.08  ?  5   GLN C OE1 1 
ATOM   440  N  NE2 . GLN C  1 5  ? -19.695 -5.414  -9.604  1.00 44.98  ?  5   GLN C NE2 1 
ATOM   441  N  N   . CYS C  1 6  ? -14.132 -2.712  -10.696 1.00 39.35  ?  6   CYS C N   1 
ATOM   442  C  CA  . CYS C  1 6  ? -13.087 -3.441  -11.402 1.00 36.58  ?  6   CYS C CA  1 
ATOM   443  C  C   . CYS C  1 6  ? -11.673 -3.052  -10.989 1.00 33.83  ?  6   CYS C C   1 
ATOM   444  O  O   . CYS C  1 6  ? -10.739 -3.816  -11.258 1.00 41.67  ?  6   CYS C O   1 
ATOM   445  C  CB  . CYS C  1 6  ? -13.245 -3.256  -12.916 1.00 33.36  ?  6   CYS C CB  1 
ATOM   446  S  SG  . CYS C  1 6  ? -14.770 -3.979  -13.565 1.00 32.70  ?  6   CYS C SG  1 
ATOM   447  N  N   . CYS C  1 7  ? -11.484 -1.898  -10.350 1.00 45.91  ?  7   CYS C N   1 
ATOM   448  C  CA  . CYS C  1 7  ? -10.173 -1.546  -9.820  1.00 49.45  ?  7   CYS C CA  1 
ATOM   449  C  C   . CYS C  1 7  ? -9.962  -2.041  -8.395  1.00 43.88  ?  7   CYS C C   1 
ATOM   450  O  O   . CYS C  1 7  ? -8.852  -1.912  -7.868  1.00 48.81  ?  7   CYS C O   1 
ATOM   451  C  CB  . CYS C  1 7  ? -9.953  -0.029  -9.884  1.00 41.64  ?  7   CYS C CB  1 
ATOM   452  S  SG  . CYS C  1 7  ? -9.765  0.599   -11.572 1.00 40.23  ?  7   CYS C SG  1 
ATOM   453  N  N   . THR C  1 8  ? -10.995 -2.599  -7.764  1.00 32.47  ?  8   THR C N   1 
ATOM   454  C  CA  . THR C  1 8  ? -10.861 -3.274  -6.480  1.00 42.10  ?  8   THR C CA  1 
ATOM   455  C  C   . THR C  1 8  ? -10.887 -4.788  -6.606  1.00 44.49  ?  8   THR C C   1 
ATOM   456  O  O   . THR C  1 8  ? -10.260 -5.481  -5.797  1.00 48.86  ?  8   THR C O   1 
ATOM   457  C  CB  . THR C  1 8  ? -11.977 -2.836  -5.524  1.00 47.38  ?  8   THR C CB  1 
ATOM   458  O  OG1 . THR C  1 8  ? -13.246 -3.236  -6.056  1.00 43.61  ?  8   THR C OG1 1 
ATOM   459  C  CG2 . THR C  1 8  ? -11.962 -1.326  -5.342  1.00 46.09  ?  8   THR C CG2 1 
ATOM   460  N  N   . SER C  1 9  ? -11.600 -5.312  -7.600  1.00 39.41  ?  9   SER C N   1 
ATOM   461  C  CA  . SER C  1 9  ? -11.675 -6.739  -7.869  1.00 36.16  ?  9   SER C CA  1 
ATOM   462  C  C   . SER C  1 9  ? -11.419 -6.969  -9.350  1.00 35.44  ?  9   SER C C   1 
ATOM   463  O  O   . SER C  1 9  ? -11.832 -6.163  -10.188 1.00 35.61  ?  9   SER C O   1 
ATOM   464  C  CB  . SER C  1 9  ? -13.042 -7.311  -7.478  1.00 35.40  ?  9   SER C CB  1 
ATOM   465  O  OG  . SER C  1 9  ? -13.423 -6.881  -6.182  1.00 33.71  ?  9   SER C OG  1 
ATOM   466  N  N   . ILE C  1 10 ? -10.739 -8.068  -9.672  1.00 37.80  ?  10  ILE C N   1 
ATOM   467  C  CA  . ILE C  1 10 ? -10.422 -8.360  -11.065 1.00 36.10  ?  10  ILE C CA  1 
ATOM   468  C  C   . ILE C  1 10 ? -11.710 -8.719  -11.796 1.00 32.73  ?  10  ILE C C   1 
ATOM   469  O  O   . ILE C  1 10 ? -12.358 -9.723  -11.488 1.00 33.13  ?  10  ILE C O   1 
ATOM   470  C  CB  . ILE C  1 10 ? -9.387  -9.487  -11.177 1.00 41.14  ?  10  ILE C CB  1 
ATOM   471  C  CG1 . ILE C  1 10 ? -8.033  -9.027  -10.634 1.00 46.22  ?  10  ILE C CG1 1 
ATOM   472  C  CG2 . ILE C  1 10 ? -9.254  -9.939  -12.624 1.00 39.20  ?  10  ILE C CG2 1 
ATOM   473  C  CD1 . ILE C  1 10 ? -6.916  -10.014 -10.884 1.00 48.20  ?  10  ILE C CD1 1 
ATOM   474  N  N   . CYS C  1 11 ? -12.085 -7.889  -12.765 1.00 46.45  ?  11  CYS C N   1 
ATOM   475  C  CA  . CYS C  1 11 ? -13.269 -8.147  -13.571 1.00 46.01  ?  11  CYS C CA  1 
ATOM   476  C  C   . CYS C  1 11 ? -12.925 -9.063  -14.738 1.00 36.88  ?  11  CYS C C   1 
ATOM   477  O  O   . CYS C  1 11 ? -11.907 -8.883  -15.411 1.00 49.58  ?  11  CYS C O   1 
ATOM   478  C  CB  . CYS C  1 11 ? -13.860 -6.834  -14.089 1.00 46.84  ?  11  CYS C CB  1 
ATOM   479  S  SG  . CYS C  1 11 ? -14.754 -5.879  -12.842 1.00 40.82  ?  11  CYS C SG  1 
ATOM   480  N  N   . SER C  1 12 ? -13.778 -10.057 -14.968 1.00 31.89  ?  12  SER C N   1 
ATOM   481  C  CA  . SER C  1 12 ? -13.601 -10.980 -16.076 1.00 43.18  ?  12  SER C CA  1 
ATOM   482  C  C   . SER C  1 12 ? -14.192 -10.385 -17.353 1.00 35.91  ?  12  SER C C   1 
ATOM   483  O  O   . SER C  1 12 ? -14.680 -9.252  -17.377 1.00 46.51  ?  12  SER C O   1 
ATOM   484  C  CB  . SER C  1 12 ? -14.239 -12.328 -15.748 1.00 45.88  ?  12  SER C CB  1 
ATOM   485  O  OG  . SER C  1 12 ? -15.621 -12.183 -15.477 1.00 48.78  ?  12  SER C OG  1 
ATOM   486  N  N   . LEU C  1 13 ? -14.144 -11.166 -18.435 1.00 41.46  ?  13  LEU C N   1 
ATOM   487  C  CA  . LEU C  1 13 ? -14.703 -10.709 -19.704 1.00 39.20  ?  13  LEU C CA  1 
ATOM   488  C  C   . LEU C  1 13 ? -16.198 -10.446 -19.587 1.00 35.13  ?  13  LEU C C   1 
ATOM   489  O  O   . LEU C  1 13 ? -16.711 -9.462  -20.132 1.00 35.52  ?  13  LEU C O   1 
ATOM   490  C  CB  . LEU C  1 13 ? -14.434 -11.744 -20.797 1.00 45.18  ?  13  LEU C CB  1 
ATOM   491  C  CG  . LEU C  1 13 ? -12.981 -11.936 -21.224 1.00 47.55  ?  13  LEU C CG  1 
ATOM   492  C  CD1 . LEU C  1 13 ? -12.843 -13.146 -22.133 1.00 53.67  ?  13  LEU C CD1 1 
ATOM   493  C  CD2 . LEU C  1 13 ? -12.486 -10.687 -21.921 1.00 44.05  ?  13  LEU C CD2 1 
ATOM   494  N  N   . TYR C  1 14 ? -16.911 -11.316 -18.873 1.00 36.65  ?  14  TYR C N   1 
ATOM   495  C  CA  . TYR C  1 14 ? -18.362 -11.209 -18.782 1.00 43.61  ?  14  TYR C CA  1 
ATOM   496  C  C   . TYR C  1 14 ? -18.788 -10.065 -17.870 1.00 45.21  ?  14  TYR C C   1 
ATOM   497  O  O   . TYR C  1 14 ? -19.878 -9.510  -18.047 1.00 36.22  ?  14  TYR C O   1 
ATOM   498  C  CB  . TYR C  1 14 ? -18.940 -12.542 -18.304 1.00 42.58  ?  14  TYR C CB  1 
ATOM   499  C  CG  . TYR C  1 14 ? -18.381 -13.733 -19.058 1.00 42.83  ?  14  TYR C CG  1 
ATOM   500  C  CD1 . TYR C  1 14 ? -17.184 -14.327 -18.673 1.00 39.21  ?  14  TYR C CD1 1 
ATOM   501  C  CD2 . TYR C  1 14 ? -19.044 -14.255 -20.162 1.00 36.19  ?  14  TYR C CD2 1 
ATOM   502  C  CE1 . TYR C  1 14 ? -16.663 -15.404 -19.364 1.00 37.18  ?  14  TYR C CE1 1 
ATOM   503  C  CE2 . TYR C  1 14 ? -18.533 -15.337 -20.857 1.00 37.90  ?  14  TYR C CE2 1 
ATOM   504  C  CZ  . TYR C  1 14 ? -17.344 -15.907 -20.452 1.00 38.72  ?  14  TYR C CZ  1 
ATOM   505  O  OH  . TYR C  1 14 ? -16.832 -16.983 -21.141 1.00 41.44  ?  14  TYR C OH  1 
ATOM   506  N  N   . GLN C  1 15 ? -17.952 -9.703  -16.892 1.00 39.50  ?  15  GLN C N   1 
ATOM   507  C  CA  . GLN C  1 15 ? -18.231 -8.517  -16.088 1.00 39.76  ?  15  GLN C CA  1 
ATOM   508  C  C   . GLN C  1 15 ? -17.996 -7.242  -16.890 1.00 33.29  ?  15  GLN C C   1 
ATOM   509  O  O   . GLN C  1 15 ? -18.780 -6.291  -16.798 1.00 38.63  ?  15  GLN C O   1 
ATOM   510  C  CB  . GLN C  1 15 ? -17.368 -8.518  -14.826 1.00 34.52  ?  15  GLN C CB  1 
ATOM   511  C  CG  . GLN C  1 15 ? -17.665 -9.647  -13.855 1.00 40.93  ?  15  GLN C CG  1 
ATOM   512  C  CD  . GLN C  1 15 ? -16.772 -9.608  -12.629 1.00 37.40  ?  15  GLN C CD  1 
ATOM   513  O  OE1 . GLN C  1 15 ? -15.767 -10.315 -12.557 1.00 37.02  ?  15  GLN C OE1 1 
ATOM   514  N  NE2 . GLN C  1 15 ? -17.136 -8.780  -11.656 1.00 37.09  ?  15  GLN C NE2 1 
ATOM   515  N  N   . LEU C  1 16 ? -16.917 -7.206  -17.678 1.00 44.06  ?  16  LEU C N   1 
ATOM   516  C  CA  . LEU C  1 16 ? -16.613 -6.024  -18.479 1.00 38.23  ?  16  LEU C CA  1 
ATOM   517  C  C   . LEU C  1 16 ? -17.619 -5.831  -19.606 1.00 38.38  ?  16  LEU C C   1 
ATOM   518  O  O   . LEU C  1 16 ? -17.861 -4.694  -20.029 1.00 40.24  ?  16  LEU C O   1 
ATOM   519  C  CB  . LEU C  1 16 ? -15.195 -6.125  -19.044 1.00 34.86  ?  16  LEU C CB  1 
ATOM   520  C  CG  . LEU C  1 16 ? -14.049 -6.090  -18.029 1.00 34.04  ?  16  LEU C CG  1 
ATOM   521  C  CD1 . LEU C  1 16 ? -12.750 -6.554  -18.668 1.00 33.14  ?  16  LEU C CD1 1 
ATOM   522  C  CD2 . LEU C  1 16 ? -13.890 -4.695  -17.440 1.00 29.72  ?  16  LEU C CD2 1 
ATOM   523  N  N   . GLU C  1 17 ? -18.210 -6.921  -20.103 1.00 32.19  ?  17  GLU C N   1 
ATOM   524  C  CA  . GLU C  1 17 ? -19.210 -6.821  -21.161 1.00 34.38  ?  17  GLU C CA  1 
ATOM   525  C  C   . GLU C  1 17 ? -20.453 -6.066  -20.705 1.00 34.16  ?  17  GLU C C   1 
ATOM   526  O  O   . GLU C  1 17 ? -21.218 -5.586  -21.549 1.00 38.70  ?  17  GLU C O   1 
ATOM   527  C  CB  . GLU C  1 17 ? -19.594 -8.222  -21.649 1.00 34.81  ?  17  GLU C CB  1 
ATOM   528  C  CG  . GLU C  1 17 ? -20.373 -8.251  -22.957 1.00 36.24  ?  17  GLU C CG  1 
ATOM   529  C  CD  . GLU C  1 17 ? -20.813 -9.652  -23.343 1.00 40.03  ?  17  GLU C CD  1 
ATOM   530  O  OE1 . GLU C  1 17 ? -20.707 -10.565 -22.497 1.00 39.00  ?  17  GLU C OE1 1 
ATOM   531  O  OE2 . GLU C  1 17 ? -21.263 -9.841  -24.493 1.00 44.10  -1 17  GLU C OE2 1 
ATOM   532  N  N   . ASN C  1 18 ? -20.664 -5.944  -19.392 1.00 33.56  ?  18  ASN C N   1 
ATOM   533  C  CA  . ASN C  1 18 ? -21.834 -5.234  -18.888 1.00 34.09  ?  18  ASN C CA  1 
ATOM   534  C  C   . ASN C  1 18 ? -21.813 -3.759  -19.268 1.00 36.21  ?  18  ASN C C   1 
ATOM   535  O  O   . ASN C  1 18 ? -22.873 -3.133  -19.380 1.00 36.85  ?  18  ASN C O   1 
ATOM   536  C  CB  . ASN C  1 18 ? -21.920 -5.383  -17.368 1.00 35.75  ?  18  ASN C CB  1 
ATOM   537  C  CG  . ASN C  1 18 ? -23.256 -5.927  -16.910 1.00 39.27  ?  18  ASN C CG  1 
ATOM   538  O  OD1 . ASN C  1 18 ? -23.899 -6.703  -17.616 1.00 37.82  ?  18  ASN C OD1 1 
ATOM   539  N  ND2 . ASN C  1 18 ? -23.685 -5.518  -15.721 1.00 40.86  ?  18  ASN C ND2 1 
ATOM   540  N  N   . TYR C  1 19 ? -20.628 -3.188  -19.472 1.00 37.65  ?  19  TYR C N   1 
ATOM   541  C  CA  . TYR C  1 19 ? -20.485 -1.761  -19.726 1.00 38.00  ?  19  TYR C CA  1 
ATOM   542  C  C   . TYR C  1 19 ? -20.397 -1.420  -21.208 1.00 44.85  ?  19  TYR C C   1 
ATOM   543  O  O   . TYR C  1 19 ? -20.196 -0.250  -21.546 1.00 45.41  ?  19  TYR C O   1 
ATOM   544  C  CB  . TYR C  1 19 ? -19.257 -1.218  -18.986 1.00 40.03  ?  19  TYR C CB  1 
ATOM   545  C  CG  . TYR C  1 19 ? -19.353 -1.369  -17.484 1.00 37.48  ?  19  TYR C CG  1 
ATOM   546  C  CD1 . TYR C  1 19 ? -18.947 -2.540  -16.856 1.00 31.80  ?  19  TYR C CD1 1 
ATOM   547  C  CD2 . TYR C  1 19 ? -19.864 -0.347  -16.694 1.00 43.38  ?  19  TYR C CD2 1 
ATOM   548  C  CE1 . TYR C  1 19 ? -19.040 -2.687  -15.484 1.00 39.77  ?  19  TYR C CE1 1 
ATOM   549  C  CE2 . TYR C  1 19 ? -19.961 -0.484  -15.321 1.00 45.24  ?  19  TYR C CE2 1 
ATOM   550  C  CZ  . TYR C  1 19 ? -19.547 -1.656  -14.721 1.00 42.42  ?  19  TYR C CZ  1 
ATOM   551  O  OH  . TYR C  1 19 ? -19.640 -1.797  -13.355 1.00 37.70  ?  19  TYR C OH  1 
ATOM   552  N  N   . CYS C  1 20 ? -20.535 -2.402  -22.094 1.00 29.45  ?  20  CYS C N   1 
ATOM   553  C  CA  . CYS C  1 20 ? -20.555 -2.116  -23.519 1.00 32.08  ?  20  CYS C CA  1 
ATOM   554  C  C   . CYS C  1 20 ? -21.911 -1.550  -23.931 1.00 35.28  ?  20  CYS C C   1 
ATOM   555  O  O   . CYS C  1 20 ? -22.898 -1.630  -23.196 1.00 35.26  ?  20  CYS C O   1 
ATOM   556  C  CB  . CYS C  1 20 ? -20.247 -3.375  -24.333 1.00 34.01  ?  20  CYS C CB  1 
ATOM   557  S  SG  . CYS C  1 20 ? -18.614 -4.085  -24.039 1.00 31.10  ?  20  CYS C SG  1 
ATOM   558  N  N   . ASN C  1 21 ? -21.947 -0.964  -25.123 1.00 33.01  ?  21  ASN C N   1 
ATOM   559  C  CA  . ASN C  1 21 ? -23.192 -0.454  -25.685 1.00 35.04  ?  21  ASN C CA  1 
ATOM   560  C  C   . ASN C  1 21 ? -24.029 -1.591  -26.259 1.00 36.58  ?  21  ASN C C   1 
ATOM   561  O  O   . ASN C  1 21 ? -25.170 -1.390  -26.675 1.00 38.65  ?  21  ASN C O   1 
ATOM   562  C  CB  . ASN C  1 21 ? -22.912 0.594   -26.765 1.00 35.65  ?  21  ASN C CB  1 
ATOM   563  C  CG  . ASN C  1 21 ? -22.791 1.996   -26.198 1.00 35.17  ?  21  ASN C CG  1 
ATOM   564  O  OD1 . ASN C  1 21 ? -21.727 2.608   -26.247 1.00 35.99  ?  21  ASN C OD1 1 
ATOM   565  N  ND2 . ASN C  1 21 ? -23.891 2.512   -25.657 1.00 38.03  ?  21  ASN C ND2 1 
ATOM   566  O  OXT . ASN C  1 21 ? -23.584 -2.738  -26.323 1.00 39.21  -1 21  ASN C OXT 1 
ATOM   567  N  N   . PHE D  2 1  ? -5.235  10.628  -7.119  1.00 77.09  ?  1   PHE D N   1 
ATOM   568  C  CA  . PHE D  2 1  ? -4.784  9.259   -6.893  1.00 79.37  ?  1   PHE D CA  1 
ATOM   569  C  C   . PHE D  2 1  ? -4.374  8.584   -8.201  1.00 70.02  ?  1   PHE D C   1 
ATOM   570  O  O   . PHE D  2 1  ? -5.201  8.365   -9.085  1.00 59.17  ?  1   PHE D O   1 
ATOM   571  C  CB  . PHE D  2 1  ? -5.874  8.449   -6.195  1.00 81.20  ?  1   PHE D CB  1 
ATOM   572  C  CG  . PHE D  2 1  ? -5.557  6.990   -6.075  1.00 80.45  ?  1   PHE D CG  1 
ATOM   573  C  CD1 . PHE D  2 1  ? -4.321  6.568   -5.623  1.00 83.97  ?  1   PHE D CD1 1 
ATOM   574  C  CD2 . PHE D  2 1  ? -6.503  6.041   -6.402  1.00 79.61  ?  1   PHE D CD2 1 
ATOM   575  C  CE1 . PHE D  2 1  ? -4.037  5.224   -5.516  1.00 85.97  ?  1   PHE D CE1 1 
ATOM   576  C  CE2 . PHE D  2 1  ? -6.226  4.695   -6.295  1.00 82.96  ?  1   PHE D CE2 1 
ATOM   577  C  CZ  . PHE D  2 1  ? -4.997  4.286   -5.851  1.00 88.65  ?  1   PHE D CZ  1 
ATOM   578  N  N   . VAL D  2 2  ? -3.093  8.221   -8.291  1.00 70.07  ?  2   VAL D N   1 
ATOM   579  C  CA  . VAL D  2 2  ? -2.500  7.837   -9.569  1.00 60.63  ?  2   VAL D CA  1 
ATOM   580  C  C   . VAL D  2 2  ? -2.811  6.385   -9.925  1.00 52.22  ?  2   VAL D C   1 
ATOM   581  O  O   . VAL D  2 2  ? -3.070  6.070   -11.091 1.00 43.95  ?  2   VAL D O   1 
ATOM   582  C  CB  . VAL D  2 2  ? -0.984  8.106   -9.538  1.00 50.70  ?  2   VAL D CB  1 
ATOM   583  C  CG1 . VAL D  2 2  ? -0.328  7.638   -10.829 1.00 46.43  ?  2   VAL D CG1 1 
ATOM   584  C  CG2 . VAL D  2 2  ? -0.717  9.587   -9.304  1.00 51.76  ?  2   VAL D CG2 1 
ATOM   585  N  N   . ASN D  2 3  ? -2.785  5.475   -8.945  1.00 58.29  ?  3   ASN D N   1 
ATOM   586  C  CA  . ASN D  2 3  ? -2.968  4.060   -9.263  1.00 53.60  ?  3   ASN D CA  1 
ATOM   587  C  C   . ASN D  2 3  ? -4.345  3.781   -9.858  1.00 51.02  ?  3   ASN D C   1 
ATOM   588  O  O   . ASN D  2 3  ? -4.485  2.885   -10.697 1.00 43.22  ?  3   ASN D O   1 
ATOM   589  C  CB  . ASN D  2 3  ? -2.735  3.196   -8.023  1.00 60.82  ?  3   ASN D CB  1 
ATOM   590  C  CG  . ASN D  2 3  ? -1.326  2.639   -7.950  0.89 63.57  ?  3   ASN D CG  1 
ATOM   591  O  OD1 . ASN D  2 3  ? -1.084  1.484   -8.303  1.00 64.83  ?  3   ASN D OD1 1 
ATOM   592  N  ND2 . ASN D  2 3  ? -0.387  3.457   -7.487  1.00 64.01  ?  3   ASN D ND2 1 
ATOM   593  N  N   . GLN D  2 4  ? -5.373  4.524   -9.437  1.00 54.10  ?  4   GLN D N   1 
ATOM   594  C  CA  . GLN D  2 4  ? -6.671  4.416   -10.098 1.00 51.40  ?  4   GLN D CA  1 
ATOM   595  C  C   . GLN D  2 4  ? -6.597  4.909   -11.535 1.00 43.64  ?  4   GLN D C   1 
ATOM   596  O  O   . GLN D  2 4  ? -7.222  4.327   -12.430 1.00 37.22  ?  4   GLN D O   1 
ATOM   597  C  CB  . GLN D  2 4  ? -7.728  5.199   -9.325  1.00 53.82  ?  4   GLN D CB  1 
ATOM   598  C  CG  . GLN D  2 4  ? -9.108  5.158   -9.933  1.00 54.64  ?  4   GLN D CG  1 
ATOM   599  C  CD  . GLN D  2 4  ? -10.092 6.041   -9.194  1.00 64.82  ?  4   GLN D CD  1 
ATOM   600  O  OE1 . GLN D  2 4  ? -10.265 7.210   -9.533  1.00 71.84  ?  4   GLN D OE1 1 
ATOM   601  N  NE2 . GLN D  2 4  ? -10.744 5.484   -8.178  1.00 71.41  ?  4   GLN D NE2 1 
ATOM   602  N  N   . HIS D  2 5  ? -5.846  5.987   -11.770 1.00 42.71  ?  5   HIS D N   1 
ATOM   603  C  CA  . HIS D  2 5  ? -5.666  6.489   -13.127 1.00 40.60  ?  5   HIS D CA  1 
ATOM   604  C  C   . HIS D  2 5  ? -5.001  5.442   -14.010 1.00 37.82  ?  5   HIS D C   1 
ATOM   605  O  O   . HIS D  2 5  ? -5.368  5.281   -15.181 1.00 38.20  ?  5   HIS D O   1 
ATOM   606  C  CB  . HIS D  2 5  ? -4.844  7.776   -13.096 1.00 40.27  ?  5   HIS D CB  1 
ATOM   607  C  CG  . HIS D  2 5  ? -4.738  8.459   -14.422 1.00 38.46  ?  5   HIS D CG  1 
ATOM   608  N  ND1 . HIS D  2 5  ? -5.621  9.436   -14.829 1.00 40.20  ?  5   HIS D ND1 1 
ATOM   609  C  CD2 . HIS D  2 5  ? -3.856  8.302   -15.437 1.00 38.55  ?  5   HIS D CD2 1 
ATOM   610  C  CE1 . HIS D  2 5  ? -5.286  9.853   -16.037 1.00 38.77  ?  5   HIS D CE1 1 
ATOM   611  N  NE2 . HIS D  2 5  ? -4.219  9.180   -16.429 1.00 40.06  ?  5   HIS D NE2 1 
ATOM   612  N  N   . LEU D  2 6  ? -4.010  4.728   -13.467 1.00 37.33  ?  6   LEU D N   1 
ATOM   613  C  CA  . LEU D  2 6  ? -3.393  3.631   -14.205 1.00 39.67  ?  6   LEU D CA  1 
ATOM   614  C  C   . LEU D  2 6  ? -4.374  2.484   -14.413 1.00 38.33  ?  6   LEU D C   1 
ATOM   615  O  O   . LEU D  2 6  ? -4.423  1.894   -15.499 1.00 37.02  ?  6   LEU D O   1 
ATOM   616  C  CB  . LEU D  2 6  ? -2.144  3.144   -13.473 1.00 42.14  ?  6   LEU D CB  1 
ATOM   617  C  CG  . LEU D  2 6  ? -1.122  4.221   -13.109 1.00 40.09  ?  6   LEU D CG  1 
ATOM   618  C  CD1 . LEU D  2 6  ? 0.102   3.596   -12.460 1.00 45.69  ?  6   LEU D CD1 1 
ATOM   619  C  CD2 . LEU D  2 6  ? -0.735  5.027   -14.340 1.00 37.59  ?  6   LEU D CD2 1 
ATOM   620  N  N   . CYS D  2 7  ? -5.160  2.149   -13.385 1.00 32.64  ?  7   CYS D N   1 
ATOM   621  C  CA  . CYS D  2 7  ? -6.138  1.074   -13.527 1.00 31.24  ?  7   CYS D CA  1 
ATOM   622  C  C   . CYS D  2 7  ? -7.201  1.426   -14.559 1.00 29.93  ?  7   CYS D C   1 
ATOM   623  O  O   . CYS D  2 7  ? -7.610  0.573   -15.357 1.00 31.38  ?  7   CYS D O   1 
ATOM   624  C  CB  . CYS D  2 7  ? -6.785  0.761   -12.180 1.00 32.78  ?  7   CYS D CB  1 
ATOM   625  S  SG  . CYS D  2 7  ? -8.158  -0.410  -12.297 1.00 31.49  ?  7   CYS D SG  1 
ATOM   626  N  N   . GLY D  2 8  ? -7.667  2.675   -14.551 1.00 31.11  ?  8   GLY D N   1 
ATOM   627  C  CA  . GLY D  2 8  ? -8.608  3.108   -15.568 1.00 33.09  ?  8   GLY D CA  1 
ATOM   628  C  C   . GLY D  2 8  ? -8.017  3.084   -16.962 1.00 28.86  ?  8   GLY D C   1 
ATOM   629  O  O   . GLY D  2 8  ? -8.731  2.840   -17.939 1.00 36.23  ?  8   GLY D O   1 
ATOM   630  N  N   . SER D  2 9  ? -6.711  3.343   -17.076 1.00 35.45  ?  9   SER D N   1 
ATOM   631  C  CA  . SER D  2 9  ? -6.052  3.269   -18.375 1.00 36.04  ?  9   SER D CA  1 
ATOM   632  C  C   . SER D  2 9  ? -6.068  1.849   -18.928 1.00 39.10  ?  9   SER D C   1 
ATOM   633  O  O   . SER D  2 9  ? -6.184  1.655   -20.143 1.00 42.23  ?  9   SER D O   1 
ATOM   634  C  CB  . SER D  2 9  ? -4.619  3.783   -18.264 1.00 35.37  ?  9   SER D CB  1 
ATOM   635  O  OG  . SER D  2 9  ? -3.959  3.716   -19.515 1.00 38.03  ?  9   SER D OG  1 
ATOM   636  N  N   . HIS D  2 10 ? -5.936  0.847   -18.059 1.00 38.68  ?  10  HIS D N   1 
ATOM   637  C  CA  . HIS D  2 10 ? -6.060  -0.537  -18.500 1.00 37.94  ?  10  HIS D CA  1 
ATOM   638  C  C   . HIS D  2 10 ? -7.514  -0.943  -18.717 1.00 36.00  ?  10  HIS D C   1 
ATOM   639  O  O   . HIS D  2 10 ? -7.790  -1.804  -19.560 1.00 40.23  ?  10  HIS D O   1 
ATOM   640  C  CB  . HIS D  2 10 ? -5.397  -1.477  -17.490 1.00 36.77  ?  10  HIS D CB  1 
ATOM   641  C  CG  . HIS D  2 10 ? -3.902  -1.386  -17.467 1.00 36.13  ?  10  HIS D CG  1 
ATOM   642  N  ND1 . HIS D  2 10 ? -3.095  -2.202  -18.228 1.00 35.99  ?  10  HIS D ND1 1 
ATOM   643  C  CD2 . HIS D  2 10 ? -3.070  -0.578  -16.769 1.00 40.08  ?  10  HIS D CD2 1 
ATOM   644  C  CE1 . HIS D  2 10 ? -1.828  -1.901  -18.002 1.00 38.28  ?  10  HIS D CE1 1 
ATOM   645  N  NE2 . HIS D  2 10 ? -1.786  -0.918  -17.121 1.00 39.07  ?  10  HIS D NE2 1 
ATOM   646  N  N   . LEU D  2 11 ? -8.448  -0.354  -17.965 1.00 35.07  ?  11  LEU D N   1 
ATOM   647  C  CA  . LEU D  2 11 ? -9.854  -0.724  -18.105 1.00 38.48  ?  11  LEU D CA  1 
ATOM   648  C  C   . LEU D  2 11 ? -10.404 -0.335  -19.472 1.00 32.05  ?  11  LEU D C   1 
ATOM   649  O  O   . LEU D  2 11 ? -11.155 -1.103  -20.085 1.00 32.32  ?  11  LEU D O   1 
ATOM   650  C  CB  . LEU D  2 11 ? -10.681 -0.083  -16.991 1.00 34.57  ?  11  LEU D CB  1 
ATOM   651  C  CG  . LEU D  2 11 ? -10.780 -0.876  -15.686 1.00 36.92  ?  11  LEU D CG  1 
ATOM   652  C  CD1 . LEU D  2 11 ? -11.617 -0.130  -14.656 1.00 33.90  ?  11  LEU D CD1 1 
ATOM   653  C  CD2 . LEU D  2 11 ? -11.358 -2.258  -15.953 1.00 44.81  ?  11  LEU D CD2 1 
ATOM   654  N  N   . VAL D  2 12 ? -10.046 0.852   -19.965 1.00 31.80  ?  12  VAL D N   1 
ATOM   655  C  CA  . VAL D  2 12 ? -10.571 1.312   -21.248 1.00 28.43  ?  12  VAL D CA  1 
ATOM   656  C  C   . VAL D  2 12 ? -10.054 0.439   -22.386 1.00 29.33  ?  12  VAL D C   1 
ATOM   657  O  O   . VAL D  2 12 ? -10.788 0.134   -23.334 1.00 22.91  ?  12  VAL D O   1 
ATOM   658  C  CB  . VAL D  2 12 ? -10.232 2.799   -21.465 1.00 29.19  ?  12  VAL D CB  1 
ATOM   659  C  CG1 . VAL D  2 12 ? -11.033 3.667   -20.509 1.00 28.27  ?  12  VAL D CG1 1 
ATOM   660  C  CG2 . VAL D  2 12 ? -8.746  3.041   -21.280 1.00 34.94  ?  12  VAL D CG2 1 
ATOM   661  N  N   . GLU D  2 13 ? -8.786  0.024   -22.317 1.00 34.95  ?  13  GLU D N   1 
ATOM   662  C  CA  . GLU D  2 13 ? -8.258  -0.882  -23.331 1.00 33.14  ?  13  GLU D CA  1 
ATOM   663  C  C   . GLU D  2 13 ? -8.952  -2.236  -23.267 1.00 29.08  ?  13  GLU D C   1 
ATOM   664  O  O   . GLU D  2 13 ? -9.229  -2.851  -24.305 1.00 28.51  ?  13  GLU D O   1 
ATOM   665  C  CB  . GLU D  2 13 ? -6.746  -1.044  -23.170 1.00 27.94  ?  13  GLU D CB  1 
ATOM   666  C  CG  . GLU D  2 13 ? -6.119  -1.980  -24.195 1.00 31.31  ?  13  GLU D CG  1 
ATOM   667  C  CD  . GLU D  2 13 ? -6.322  -1.506  -25.624 0.00 33.37  ?  13  GLU D CD  1 
ATOM   668  O  OE1 . GLU D  2 13 ? -6.352  -0.276  -25.848 0.80 29.22  ?  13  GLU D OE1 1 
ATOM   669  O  OE2 . GLU D  2 13 ? -6.456  -2.364  -26.523 1.00 34.39  -1 13  GLU D OE2 1 
ATOM   670  N  N   . ALA D  2 14 ? -9.226  -2.725  -22.054 1.00 34.30  ?  14  ALA D N   1 
ATOM   671  C  CA  . ALA D  2 14 ? -9.984  -3.963  -21.914 1.00 26.55  ?  14  ALA D CA  1 
ATOM   672  C  C   . ALA D  2 14 ? -11.395 -3.811  -22.469 1.00 25.99  ?  14  ALA D C   1 
ATOM   673  O  O   . ALA D  2 14 ? -11.901 -4.707  -23.155 1.00 24.76  ?  14  ALA D O   1 
ATOM   674  C  CB  . ALA D  2 14 ? -10.022 -4.393  -20.449 1.00 38.50  ?  14  ALA D CB  1 
ATOM   675  N  N   . LEU D  2 15 ? -12.047 -2.680  -22.186 1.00 27.85  ?  15  LEU D N   1 
ATOM   676  C  CA  . LEU D  2 15 ? -13.375 -2.434  -22.739 1.00 27.92  ?  15  LEU D CA  1 
ATOM   677  C  C   . LEU D  2 15 ? -13.331 -2.360  -24.259 1.00 27.73  ?  15  LEU D C   1 
ATOM   678  O  O   . LEU D  2 15 ? -14.242 -2.845  -24.938 1.00 28.51  ?  15  LEU D O   1 
ATOM   679  C  CB  . LEU D  2 15 ? -13.962 -1.147  -22.157 1.00 27.86  ?  15  LEU D CB  1 
ATOM   680  C  CG  . LEU D  2 15 ? -14.490 -1.210  -20.724 1.00 25.58  ?  15  LEU D CG  1 
ATOM   681  C  CD1 . LEU D  2 15 ? -15.074 0.135   -20.320 1.00 26.95  ?  15  LEU D CD1 1 
ATOM   682  C  CD2 . LEU D  2 15 ? -15.528 -2.313  -20.586 1.00 26.53  ?  15  LEU D CD2 1 
ATOM   683  N  N   . TYR D  2 16 ? -12.276 -1.754  -24.811 1.00 27.02  ?  16  TYR D N   1 
ATOM   684  C  CA  . TYR D  2 16 ? -12.154 -1.645  -26.261 1.00 28.55  ?  16  TYR D CA  1 
ATOM   685  C  C   . TYR D  2 16 ? -12.118 -3.019  -26.918 1.00 28.44  ?  16  TYR D C   1 
ATOM   686  O  O   . TYR D  2 16 ? -12.771 -3.240  -27.945 1.00 31.66  ?  16  TYR D O   1 
ATOM   687  C  CB  . TYR D  2 16 ? -10.901 -0.843  -26.621 1.00 29.76  ?  16  TYR D CB  1 
ATOM   688  C  CG  . TYR D  2 16 ? -10.598 -0.796  -28.104 1.00 29.40  ?  16  TYR D CG  1 
ATOM   689  C  CD1 . TYR D  2 16 ? -11.241 0.110   -28.935 1.00 30.44  ?  16  TYR D CD1 1 
ATOM   690  C  CD2 . TYR D  2 16 ? -9.667  -1.659  -28.672 1.00 27.81  ?  16  TYR D CD2 1 
ATOM   691  C  CE1 . TYR D  2 16 ? -10.968 0.157   -30.289 1.00 31.64  ?  16  TYR D CE1 1 
ATOM   692  C  CE2 . TYR D  2 16 ? -9.388  -1.620  -30.025 1.00 29.44  ?  16  TYR D CE2 1 
ATOM   693  C  CZ  . TYR D  2 16 ? -10.041 -0.709  -30.829 1.00 30.36  ?  16  TYR D CZ  1 
ATOM   694  O  OH  . TYR D  2 16 ? -9.767  -0.665  -32.176 1.00 31.21  ?  16  TYR D OH  1 
ATOM   695  N  N   . LEU D  2 17 ? -11.356 -3.954  -26.344 1.00 27.14  ?  17  LEU D N   1 
ATOM   696  C  CA  . LEU D  2 17 ? -11.282 -5.297  -26.909 1.00 25.41  ?  17  LEU D CA  1 
ATOM   697  C  C   . LEU D  2 17 ? -12.591 -6.056  -26.722 1.00 26.11  ?  17  LEU D C   1 
ATOM   698  O  O   . LEU D  2 17 ? -13.044 -6.756  -27.635 1.00 28.10  ?  17  LEU D O   1 
ATOM   699  C  CB  . LEU D  2 17 ? -10.122 -6.064  -26.278 1.00 24.94  ?  17  LEU D CB  1 
ATOM   700  C  CG  A LEU D  2 17 ? -8.724  -5.488  -26.507 0.59 32.41  ?  17  LEU D CG  1 
ATOM   701  C  CG  B LEU D  2 17 ? -9.909  -7.504  -26.749 0.41 25.27  ?  17  LEU D CG  1 
ATOM   702  C  CD1 A LEU D  2 17 ? -7.671  -6.501  -26.095 0.59 37.98  ?  17  LEU D CD1 1 
ATOM   703  C  CD1 B LEU D  2 17 ? -9.618  -7.540  -28.240 0.41 27.18  ?  17  LEU D CD1 1 
ATOM   704  C  CD2 A LEU D  2 17 ? -8.542  -5.071  -27.959 0.59 30.63  ?  17  LEU D CD2 1 
ATOM   705  C  CD2 B LEU D  2 17 ? -8.787  -8.164  -25.963 0.41 32.27  ?  17  LEU D CD2 1 
ATOM   706  N  N   . VAL D  2 18 ? -13.205 -5.940  -25.543 1.00 25.93  ?  18  VAL D N   1 
ATOM   707  C  CA  . VAL D  2 18 ? -14.406 -6.715  -25.247 1.00 26.62  ?  18  VAL D CA  1 
ATOM   708  C  C   . VAL D  2 18 ? -15.578 -6.240  -26.099 1.00 29.41  ?  18  VAL D C   1 
ATOM   709  O  O   . VAL D  2 18 ? -16.291 -7.046  -26.707 1.00 31.30  ?  18  VAL D O   1 
ATOM   710  C  CB  . VAL D  2 18 ? -14.737 -6.640  -23.746 1.00 27.88  ?  18  VAL D CB  1 
ATOM   711  C  CG1 . VAL D  2 18 ? -16.101 -7.256  -23.467 1.00 29.94  ?  18  VAL D CG1 1 
ATOM   712  C  CG2 . VAL D  2 18 ? -13.660 -7.339  -22.928 1.00 23.31  ?  18  VAL D CG2 1 
ATOM   713  N  N   . CYS D  2 19 ? -15.794 -4.925  -26.158 1.00 33.62  ?  19  CYS D N   1 
ATOM   714  C  CA  . CYS D  2 19 ? -16.969 -4.402  -26.850 1.00 40.60  ?  19  CYS D CA  1 
ATOM   715  C  C   . CYS D  2 19 ? -16.834 -4.543  -28.361 1.00 38.36  ?  19  CYS D C   1 
ATOM   716  O  O   . CYS D  2 19 ? -17.764 -4.998  -29.038 1.00 42.25  ?  19  CYS D O   1 
ATOM   717  C  CB  . CYS D  2 19 ? -17.201 -2.941  -26.464 1.00 43.75  ?  19  CYS D CB  1 
ATOM   718  S  SG  . CYS D  2 19 ? -17.329 -2.653  -24.686 1.00 33.62  ?  19  CYS D SG  1 
ATOM   719  N  N   . GLY D  2 20 ? -15.682 -4.165  -28.908 1.00 38.26  ?  20  GLY D N   1 
ATOM   720  C  CA  . GLY D  2 20 ? -15.479 -4.215  -30.341 1.00 39.70  ?  20  GLY D CA  1 
ATOM   721  C  C   . GLY D  2 20 ? -16.309 -3.198  -31.096 1.00 53.68  ?  20  GLY D C   1 
ATOM   722  O  O   . GLY D  2 20 ? -16.159 -1.990  -30.894 1.00 51.93  ?  20  GLY D O   1 
ATOM   723  N  N   . GLU D  2 21 ? -17.194 -3.678  -31.971 1.00 50.53  ?  21  GLU D N   1 
ATOM   724  C  CA  . GLU D  2 21 ? -18.016 -2.786  -32.780 1.00 49.00  ?  21  GLU D CA  1 
ATOM   725  C  C   . GLU D  2 21 ? -19.179 -2.183  -32.002 1.00 46.56  ?  21  GLU D C   1 
ATOM   726  O  O   . GLU D  2 21 ? -19.764 -1.194  -32.458 1.00 46.08  ?  21  GLU D O   1 
ATOM   727  C  CB  . GLU D  2 21 ? -18.545 -3.525  -34.015 1.00 54.99  ?  21  GLU D CB  1 
ATOM   728  C  CG  . GLU D  2 21 ? -19.205 -4.875  -33.738 1.00 58.94  ?  21  GLU D CG  1 
ATOM   729  C  CD  . GLU D  2 21 ? -18.202 -6.010  -33.615 1.00 66.44  ?  21  GLU D CD  1 
ATOM   730  O  OE1 . GLU D  2 21 ? -17.531 -6.104  -32.565 1.00 71.95  ?  21  GLU D OE1 1 
ATOM   731  O  OE2 . GLU D  2 21 ? -18.071 -6.799  -34.576 1.00 76.99  -1 21  GLU D OE2 1 
ATOM   732  N  N   . ARG D  2 22 ? -19.530 -2.755  -30.849 1.00 42.55  ?  22  ARG D N   1 
ATOM   733  C  CA  . ARG D  2 22 ? -20.631 -2.210  -30.061 1.00 38.36  ?  22  ARG D CA  1 
ATOM   734  C  C   . ARG D  2 22 ? -20.305 -0.818  -29.529 1.00 40.57  ?  22  ARG D C   1 
ATOM   735  O  O   . ARG D  2 22 ? -21.166 0.070   -29.530 1.00 38.00  ?  22  ARG D O   1 
ATOM   736  C  CB  . ARG D  2 22 ? -20.973 -3.155  -28.910 1.00 37.67  ?  22  ARG D CB  1 
ATOM   737  C  CG  . ARG D  2 22 ? -21.905 -4.290  -29.294 1.00 39.21  ?  22  ARG D CG  1 
ATOM   738  C  CD  . ARG D  2 22 ? -22.027 -5.314  -28.178 1.00 39.18  ?  22  ARG D CD  1 
ATOM   739  N  NE  . ARG D  2 22 ? -20.823 -6.127  -28.053 1.00 36.43  ?  22  ARG D NE  1 
ATOM   740  C  CZ  . ARG D  2 22 ? -20.664 -7.099  -27.166 1.00 36.84  ?  22  ARG D CZ  1 
ATOM   741  N  NH1 . ARG D  2 22 ? -21.613 -7.401  -26.294 1.00 38.95  ?  22  ARG D NH1 1 
ATOM   742  N  NH2 . ARG D  2 22 ? -19.525 -7.785  -27.152 1.00 35.32  ?  22  ARG D NH2 1 
ATOM   743  N  N   . GLY D  2 23 ? -19.073 -0.606  -29.077 1.00 44.69  ?  23  GLY D N   1 
ATOM   744  C  CA  . GLY D  2 23 ? -18.701 0.636   -28.437 1.00 38.63  ?  23  GLY D CA  1 
ATOM   745  C  C   . GLY D  2 23 ? -19.049 0.638   -26.959 1.00 36.68  ?  23  GLY D C   1 
ATOM   746  O  O   . GLY D  2 23 ? -19.696 -0.270  -26.433 1.00 34.85  ?  23  GLY D O   1 
ATOM   747  N  N   . PHE D  2 24 ? -18.605 1.690   -26.273 1.00 33.49  ?  24  PHE D N   1 
ATOM   748  C  CA  . PHE D  2 24 ? -18.802 1.774   -24.834 1.00 35.83  ?  24  PHE D CA  1 
ATOM   749  C  C   . PHE D  2 24 ? -18.843 3.231   -24.394 1.00 36.78  ?  24  PHE D C   1 
ATOM   750  O  O   . PHE D  2 24 ? -18.424 4.137   -25.119 1.00 32.64  ?  24  PHE D O   1 
ATOM   751  C  CB  . PHE D  2 24 ? -17.703 1.016   -24.074 1.00 34.99  ?  24  PHE D CB  1 
ATOM   752  C  CG  . PHE D  2 24 ? -16.316 1.551   -24.309 1.00 30.75  ?  24  PHE D CG  1 
ATOM   753  C  CD1 . PHE D  2 24 ? -15.542 1.075   -25.353 1.00 30.95  ?  24  PHE D CD1 1 
ATOM   754  C  CD2 . PHE D  2 24 ? -15.783 2.523   -23.478 1.00 30.08  ?  24  PHE D CD2 1 
ATOM   755  C  CE1 . PHE D  2 24 ? -14.265 1.562   -25.568 1.00 30.50  ?  24  PHE D CE1 1 
ATOM   756  C  CE2 . PHE D  2 24 ? -14.507 3.014   -23.688 1.00 29.63  ?  24  PHE D CE2 1 
ATOM   757  C  CZ  . PHE D  2 24 ? -13.748 2.533   -24.733 1.00 29.84  ?  24  PHE D CZ  1 
ATOM   758  N  N   . PHE D  2 25 ? -19.362 3.439   -23.186 1.00 37.19  ?  25  PHE D N   1 
ATOM   759  C  CA  . PHE D  2 25 ? -19.369 4.733   -22.511 1.00 34.94  ?  25  PHE D CA  1 
ATOM   760  C  C   . PHE D  2 25 ? -18.554 4.589   -21.233 1.00 45.60  ?  25  PHE D C   1 
ATOM   761  O  O   . PHE D  2 25 ? -18.968 3.882   -20.308 1.00 44.20  ?  25  PHE D O   1 
ATOM   762  C  CB  . PHE D  2 25 ? -20.794 5.186   -22.192 1.00 37.84  ?  25  PHE D CB  1 
ATOM   763  C  CG  . PHE D  2 25 ? -21.314 6.262   -23.101 1.00 39.21  ?  25  PHE D CG  1 
ATOM   764  C  CD1 . PHE D  2 25 ? -21.017 7.593   -22.861 1.00 39.15  ?  25  PHE D CD1 1 
ATOM   765  C  CD2 . PHE D  2 25 ? -22.120 5.945   -24.182 1.00 47.66  ?  25  PHE D CD2 1 
ATOM   766  C  CE1 . PHE D  2 25 ? -21.502 8.587   -23.689 1.00 39.45  ?  25  PHE D CE1 1 
ATOM   767  C  CE2 . PHE D  2 25 ? -22.608 6.934   -25.015 1.00 47.49  ?  25  PHE D CE2 1 
ATOM   768  C  CZ  . PHE D  2 25 ? -22.299 8.257   -24.768 1.00 43.16  ?  25  PHE D CZ  1 
ATOM   769  N  N   . TYR D  2 26 ? -17.398 5.247   -21.177 1.00 36.39  ?  26  TYR D N   1 
ATOM   770  C  CA  . TYR D  2 26 ? -16.544 5.197   -19.995 1.00 39.20  ?  26  TYR D CA  1 
ATOM   771  C  C   . TYR D  2 26 ? -16.900 6.364   -19.082 1.00 37.38  ?  26  TYR D C   1 
ATOM   772  O  O   . TYR D  2 26 ? -16.692 7.529   -19.439 1.00 36.22  ?  26  TYR D O   1 
ATOM   773  C  CB  . TYR D  2 26 ? -15.066 5.234   -20.375 1.00 32.64  ?  26  TYR D CB  1 
ATOM   774  C  CG  . TYR D  2 26 ? -14.146 5.174   -19.174 1.00 32.39  ?  26  TYR D CG  1 
ATOM   775  C  CD1 . TYR D  2 26 ? -13.989 3.995   -18.455 1.00 30.82  ?  26  TYR D CD1 1 
ATOM   776  C  CD2 . TYR D  2 26 ? -13.443 6.297   -18.752 1.00 34.41  ?  26  TYR D CD2 1 
ATOM   777  C  CE1 . TYR D  2 26 ? -13.155 3.933   -17.353 1.00 32.67  ?  26  TYR D CE1 1 
ATOM   778  C  CE2 . TYR D  2 26 ? -12.606 6.244   -17.651 1.00 37.99  ?  26  TYR D CE2 1 
ATOM   779  C  CZ  . TYR D  2 26 ? -12.466 5.059   -16.956 1.00 35.97  ?  26  TYR D CZ  1 
ATOM   780  O  OH  . TYR D  2 26 ? -11.635 4.998   -15.860 1.00 39.06  ?  26  TYR D OH  1 
ATOM   781  N  N   . THR D  2 27 ? -17.437 6.050   -17.906 1.00 36.70  ?  27  THR D N   1 
ATOM   782  C  CA  . THR D  2 27 ? -17.772 7.052   -16.894 1.00 37.17  ?  27  THR D CA  1 
ATOM   783  C  C   . THR D  2 27 ? -17.019 6.742   -15.608 1.00 40.97  ?  27  THR D C   1 
ATOM   784  O  O   . THR D  2 27 ? -17.447 5.873   -14.828 1.00 41.14  ?  27  THR D O   1 
ATOM   785  C  CB  . THR D  2 27 ? -19.278 7.092   -16.637 1.00 35.44  ?  27  THR D CB  1 
ATOM   786  O  OG1 . THR D  2 27 ? -19.795 5.756   -16.591 1.00 36.73  ?  27  THR D OG1 1 
ATOM   787  C  CG2 . THR D  2 27 ? -19.985 7.869   -17.738 1.00 34.59  ?  27  THR D CG2 1 
ATOM   788  N  N   . PRO D  2 28 ? -15.903 7.414   -15.342 1.00 46.42  ?  28  PRO D N   1 
ATOM   789  C  CA  . PRO D  2 28 ? -15.148 7.142   -14.115 1.00 52.49  ?  28  PRO D CA  1 
ATOM   790  C  C   . PRO D  2 28 ? -15.902 7.621   -12.884 1.00 63.02  ?  28  PRO D C   1 
ATOM   791  O  O   . PRO D  2 28 ? -16.934 8.291   -12.961 1.00 61.06  ?  28  PRO D O   1 
ATOM   792  C  CB  . PRO D  2 28 ? -13.847 7.923   -14.316 1.00 52.33  ?  28  PRO D CB  1 
ATOM   793  C  CG  . PRO D  2 28 ? -14.222 9.031   -15.242 1.00 49.71  ?  28  PRO D CG  1 
ATOM   794  C  CD  . PRO D  2 28 ? -15.269 8.461   -16.162 1.00 41.64  ?  28  PRO D CD  1 
ATOM   795  N  N   . LYS D  2 29 ? -15.362 7.254   -11.726 1.00 80.03  ?  29  LYS D N   1 
ATOM   796  C  CA  . LYS D  2 29 ? -15.957 7.616   -10.444 1.00 86.03  ?  29  LYS D CA  1 
ATOM   797  C  C   . LYS D  2 29 ? -15.995 9.131   -10.260 1.00 88.99  ?  29  LYS D C   1 
ATOM   798  O  O   . LYS D  2 29 ? -16.743 9.657   -9.436  1.00 92.23  ?  29  LYS D O   1 
ATOM   799  C  CB  . LYS D  2 29 ? -15.187 6.958   -9.295  1.00 93.82  ?  29  LYS D CB  1 
ATOM   800  C  CG  . LYS D  2 29 ? -13.749 7.433   -9.153  1.00 96.00  ?  29  LYS D CG  1 
ATOM   801  C  CD  . LYS D  2 29 ? -13.617 8.499   -8.080  1.00 100.90 ?  29  LYS D CD  1 
ATOM   802  C  CE  . LYS D  2 29 ? -12.285 9.228   -8.169  1.00 101.90 ?  29  LYS D CE  1 
ATOM   803  N  NZ  . LYS D  2 29 ? -12.096 10.155  -7.016  1.00 103.04 ?  29  LYS D NZ  1 
ATOM   804  O  OXT . LYS D  2 29 ? -15.273 9.867   -10.933 1.00 87.97  -1 29  LYS D OXT 1 
ATOM   805  N  N   . GLY E  1 1  ? -18.385 8.407   2.366   1.00 46.22  ?  1   GLY E N   1 
ATOM   806  C  CA  . GLY E  1 1  ? -17.775 7.725   3.491   1.00 44.02  ?  1   GLY E CA  1 
ATOM   807  C  C   . GLY E  1 1  ? -16.354 8.176   3.766   1.00 46.55  ?  1   GLY E C   1 
ATOM   808  O  O   . GLY E  1 1  ? -15.747 8.875   2.954   1.00 44.43  ?  1   GLY E O   1 
ATOM   809  N  N   . ILE E  1 2  ? -15.822 7.769   4.921   1.00 48.43  ?  2   ILE E N   1 
ATOM   810  C  CA  . ILE E  1 2  ? -14.473 8.176   5.299   1.00 51.47  ?  2   ILE E CA  1 
ATOM   811  C  C   . ILE E  1 2  ? -13.430 7.505   4.411   1.00 50.69  ?  2   ILE E C   1 
ATOM   812  O  O   . ILE E  1 2  ? -12.384 8.097   4.118   1.00 53.06  ?  2   ILE E O   1 
ATOM   813  C  CB  . ILE E  1 2  ? -14.230 7.889   6.794   1.00 44.60  ?  2   ILE E CB  1 
ATOM   814  C  CG1 . ILE E  1 2  ? -12.858 8.411   7.233   1.00 44.25  ?  2   ILE E CG1 1 
ATOM   815  C  CG2 . ILE E  1 2  ? -14.365 6.401   7.091   1.00 39.91  ?  2   ILE E CG2 1 
ATOM   816  C  CD1 . ILE E  1 2  ? -12.564 8.199   8.702   1.00 39.98  ?  2   ILE E CD1 1 
ATOM   817  N  N   . VAL E  1 3  ? -13.688 6.273   3.965   1.00 52.54  ?  3   VAL E N   1 
ATOM   818  C  CA  . VAL E  1 3  ? -12.716 5.561   3.139   1.00 57.60  ?  3   VAL E CA  1 
ATOM   819  C  C   . VAL E  1 3  ? -12.543 6.259   1.796   1.00 57.13  ?  3   VAL E C   1 
ATOM   820  O  O   . VAL E  1 3  ? -11.419 6.470   1.326   1.00 63.58  ?  3   VAL E O   1 
ATOM   821  C  CB  . VAL E  1 3  ? -13.136 4.091   2.959   1.00 55.47  ?  3   VAL E CB  1 
ATOM   822  C  CG1 . VAL E  1 3  ? -12.015 3.297   2.305   1.00 57.96  ?  3   VAL E CG1 1 
ATOM   823  C  CG2 . VAL E  1 3  ? -13.535 3.479   4.294   1.00 51.38  ?  3   VAL E CG2 1 
ATOM   824  N  N   . GLU E  1 4  ? -13.657 6.627   1.156   1.00 40.51  ?  4   GLU E N   1 
ATOM   825  C  CA  . GLU E  1 4  ? -13.595 7.319   -0.126  1.00 48.14  ?  4   GLU E CA  1 
ATOM   826  C  C   . GLU E  1 4  ? -13.026 8.726   0.000   1.00 51.03  ?  4   GLU E C   1 
ATOM   827  O  O   . GLU E  1 4  ? -12.555 9.283   -0.997  1.00 52.87  ?  4   GLU E O   1 
ATOM   828  C  CB  . GLU E  1 4  ? -14.986 7.385   -0.756  1.00 48.68  ?  4   GLU E CB  1 
ATOM   829  C  CG  . GLU E  1 4  ? -15.562 6.037   -1.148  1.00 51.17  ?  4   GLU E CG  1 
ATOM   830  C  CD  . GLU E  1 4  ? -17.004 5.871   -0.710  1.00 51.09  ?  4   GLU E CD  1 
ATOM   831  O  OE1 . GLU E  1 4  ? -17.340 6.310   0.410   1.00 50.71  ?  4   GLU E OE1 1 
ATOM   832  O  OE2 . GLU E  1 4  ? -17.806 5.309   -1.485  1.00 50.99  -1 4   GLU E OE2 1 
ATOM   833  N  N   . GLN E  1 5  ? -13.063 9.312   1.194   1.00 58.57  ?  5   GLN E N   1 
ATOM   834  C  CA  . GLN E  1 5  ? -12.624 10.684  1.413   1.00 60.05  ?  5   GLN E CA  1 
ATOM   835  C  C   . GLN E  1 5  ? -11.225 10.783  2.004   1.00 58.95  ?  5   GLN E C   1 
ATOM   836  O  O   . GLN E  1 5  ? -10.434 11.627  1.570   1.00 58.67  ?  5   GLN E O   1 
ATOM   837  C  CB  . GLN E  1 5  ? -13.620 11.410  2.327   1.00 65.82  ?  5   GLN E CB  1 
ATOM   838  C  CG  . GLN E  1 5  ? -13.045 12.581  3.122   1.00 64.61  ?  5   GLN E CG  1 
ATOM   839  C  CD  . GLN E  1 5  ? -12.843 13.839  2.291   1.00 63.72  ?  5   GLN E CD  1 
ATOM   840  O  OE1 . GLN E  1 5  ? -12.591 13.777  1.087   1.00 64.09  ?  5   GLN E OE1 1 
ATOM   841  N  NE2 . GLN E  1 5  ? -12.954 14.993  2.939   1.00 68.07  ?  5   GLN E NE2 1 
ATOM   842  N  N   . CYS E  1 6  ? -10.887 9.932   2.975   1.00 42.58  ?  6   CYS E N   1 
ATOM   843  C  CA  . CYS E  1 6  ? -9.628  10.068  3.693   1.00 42.24  ?  6   CYS E CA  1 
ATOM   844  C  C   . CYS E  1 6  ? -8.581  9.021   3.342   1.00 39.09  ?  6   CYS E C   1 
ATOM   845  O  O   . CYS E  1 6  ? -7.407  9.223   3.667   1.00 38.74  ?  6   CYS E O   1 
ATOM   846  C  CB  . CYS E  1 6  ? -9.879  10.042  5.207   1.00 37.03  ?  6   CYS E CB  1 
ATOM   847  S  SG  . CYS E  1 6  ? -10.745 11.516  5.781   1.00 40.06  ?  6   CYS E SG  1 
ATOM   848  N  N   . CYS E  1 7  ? -8.962  7.913   2.705   1.00 37.31  ?  7   CYS E N   1 
ATOM   849  C  CA  . CYS E  1 7  ? -7.951  6.974   2.233   1.00 42.08  ?  7   CYS E CA  1 
ATOM   850  C  C   . CYS E  1 7  ? -7.398  7.374   0.872   1.00 47.94  ?  7   CYS E C   1 
ATOM   851  O  O   . CYS E  1 7  ? -6.257  7.030   0.545   1.00 46.24  ?  7   CYS E O   1 
ATOM   852  C  CB  . CYS E  1 7  ? -8.521  5.555   2.179   1.00 40.47  ?  7   CYS E CB  1 
ATOM   853  S  SG  . CYS E  1 7  ? -8.737  4.799   3.803   1.00 36.68  ?  7   CYS E SG  1 
ATOM   854  N  N   . THR E  1 8  ? -8.179  8.102   0.074   1.00 47.79  ?  8   THR E N   1 
ATOM   855  C  CA  . THR E  1 8  ? -7.721  8.506   -1.250  1.00 47.21  ?  8   THR E CA  1 
ATOM   856  C  C   . THR E  1 8  ? -6.825  9.738   -1.183  1.00 48.41  ?  8   THR E C   1 
ATOM   857  O  O   . THR E  1 8  ? -5.836  9.834   -1.920  1.00 43.49  ?  8   THR E O   1 
ATOM   858  C  CB  . THR E  1 8  ? -8.924  8.760   -2.155  1.00 69.25  ?  8   THR E CB  1 
ATOM   859  O  OG1 . THR E  1 8  ? -9.526  10.013  -1.811  1.00 64.71  ?  8   THR E OG1 1 
ATOM   860  C  CG2 . THR E  1 8  ? -9.946  7.657   -1.971  1.00 72.78  ?  8   THR E CG2 1 
ATOM   861  N  N   . SER E  1 9  ? -7.148  10.679  -0.301  1.00 39.92  ?  9   SER E N   1 
ATOM   862  C  CA  . SER E  1 9  ? -6.350  11.877  -0.096  1.00 36.66  ?  9   SER E CA  1 
ATOM   863  C  C   . SER E  1 9  ? -6.060  12.026  1.389   1.00 37.33  ?  9   SER E C   1 
ATOM   864  O  O   . SER E  1 9  ? -6.855  11.608  2.235   1.00 37.97  ?  9   SER E O   1 
ATOM   865  C  CB  . SER E  1 9  ? -7.065  13.131  -0.628  1.00 37.55  ?  9   SER E CB  1 
ATOM   866  O  OG  . SER E  1 9  ? -6.273  14.291  -0.435  1.00 34.36  ?  9   SER E OG  1 
ATOM   867  N  N   . ILE E  1 10 ? -4.912  12.627  1.701   1.00 32.85  ?  10  ILE E N   1 
ATOM   868  C  CA  . ILE E  1 10 ? -4.494  12.767  3.092   1.00 31.83  ?  10  ILE E CA  1 
ATOM   869  C  C   . ILE E  1 10 ? -5.399  13.771  3.792   1.00 32.44  ?  10  ILE E C   1 
ATOM   870  O  O   . ILE E  1 10 ? -5.286  14.984  3.584   1.00 30.81  ?  10  ILE E O   1 
ATOM   871  C  CB  . ILE E  1 10 ? -3.016  13.186  3.198   1.00 34.90  ?  10  ILE E CB  1 
ATOM   872  C  CG1 . ILE E  1 10 ? -2.114  12.110  2.593   1.00 39.49  ?  10  ILE E CG1 1 
ATOM   873  C  CG2 . ILE E  1 10 ? -2.635  13.440  4.651   1.00 33.36  ?  10  ILE E CG2 1 
ATOM   874  C  CD1 . ILE E  1 10 ? -0.633  12.414  2.707   1.00 42.99  ?  10  ILE E CD1 1 
ATOM   875  N  N   . CYS E  1 11 ? -6.307  13.269  4.623   1.00 31.99  ?  11  CYS E N   1 
ATOM   876  C  CA  . CYS E  1 11 ? -7.192  14.142  5.379   1.00 36.74  ?  11  CYS E CA  1 
ATOM   877  C  C   . CYS E  1 11 ? -6.421  14.853  6.481   1.00 36.42  ?  11  CYS E C   1 
ATOM   878  O  O   . CYS E  1 11 ? -5.562  14.263  7.141   1.00 33.18  ?  11  CYS E O   1 
ATOM   879  C  CB  . CYS E  1 11 ? -8.346  13.343  5.985   1.00 42.11  ?  11  CYS E CB  1 
ATOM   880  S  SG  . CYS E  1 11 ? -9.730  13.023  4.874   1.00 43.83  ?  11  CYS E SG  1 
ATOM   881  N  N   . SER E  1 12 ? -6.730  16.132  6.675   1.00 34.20  ?  12  SER E N   1 
ATOM   882  C  CA  . SER E  1 12 ? -6.133  16.893  7.757   1.00 33.40  ?  12  SER E CA  1 
ATOM   883  C  C   . SER E  1 12 ? -6.789  16.523  9.085   1.00 34.58  ?  12  SER E C   1 
ATOM   884  O  O   . SER E  1 12 ? -7.790  15.803  9.137   1.00 34.90  ?  12  SER E O   1 
ATOM   885  C  CB  . SER E  1 12 ? -6.265  18.392  7.493   1.00 30.78  ?  12  SER E CB  1 
ATOM   886  O  OG  . SER E  1 12 ? -5.766  19.146  8.584   1.00 30.49  ?  12  SER E OG  1 
ATOM   887  N  N   . LEU E  1 13 ? -6.205  17.024  10.176  1.00 27.97  ?  13  LEU E N   1 
ATOM   888  C  CA  . LEU E  1 13 ? -6.795  16.803  11.493  1.00 28.18  ?  13  LEU E CA  1 
ATOM   889  C  C   . LEU E  1 13 ? -8.169  17.453  11.589  1.00 28.77  ?  13  LEU E C   1 
ATOM   890  O  O   . LEU E  1 13 ? -9.074  16.920  12.243  1.00 28.96  ?  13  LEU E O   1 
ATOM   891  C  CB  . LEU E  1 13 ? -5.867  17.340  12.583  1.00 28.40  ?  13  LEU E CB  1 
ATOM   892  C  CG  . LEU E  1 13 ? -4.561  16.583  12.864  1.00 28.09  ?  13  LEU E CG  1 
ATOM   893  C  CD1 . LEU E  1 13 ? -4.816  15.085  12.983  1.00 27.88  ?  13  LEU E CD1 1 
ATOM   894  C  CD2 . LEU E  1 13 ? -3.483  16.880  11.823  1.00 32.40  ?  13  LEU E CD2 1 
ATOM   895  N  N   . TYR E  1 14 ? -8.343  18.606  10.938  1.00 30.10  ?  14  TYR E N   1 
ATOM   896  C  CA  . TYR E  1 14 ? -9.648  19.258  10.911  1.00 34.35  ?  14  TYR E CA  1 
ATOM   897  C  C   . TYR E  1 14 ? -10.663 18.434  10.124  1.00 34.72  ?  14  TYR E C   1 
ATOM   898  O  O   . TYR E  1 14 ? -11.839 18.360  10.502  1.00 30.50  ?  14  TYR E O   1 
ATOM   899  C  CB  . TYR E  1 14 ? -9.516  20.661  10.322  1.00 32.43  ?  14  TYR E CB  1 
ATOM   900  C  CG  . TYR E  1 14 ? -10.592 21.624  10.773  1.00 32.90  ?  14  TYR E CG  1 
ATOM   901  C  CD1 . TYR E  1 14 ? -10.785 21.892  12.122  1.00 35.03  ?  14  TYR E CD1 1 
ATOM   902  C  CD2 . TYR E  1 14 ? -11.400 22.279  9.852   1.00 34.59  ?  14  TYR E CD2 1 
ATOM   903  C  CE1 . TYR E  1 14 ? -11.759 22.773  12.542  1.00 35.52  ?  14  TYR E CE1 1 
ATOM   904  C  CE2 . TYR E  1 14 ? -12.378 23.165  10.265  1.00 34.59  ?  14  TYR E CE2 1 
ATOM   905  C  CZ  . TYR E  1 14 ? -12.552 23.407  11.610  1.00 35.22  ?  14  TYR E CZ  1 
ATOM   906  O  OH  . TYR E  1 14 ? -13.522 24.285  12.027  1.00 36.82  ?  14  TYR E OH  1 
ATOM   907  N  N   . GLN E  1 15 ? -10.229 17.814  9.023   1.00 29.96  ?  15  GLN E N   1 
ATOM   908  C  CA  . GLN E  1 15 ? -11.130 16.980  8.230   1.00 29.45  ?  15  GLN E CA  1 
ATOM   909  C  C   . GLN E  1 15 ? -11.584 15.751  9.012   1.00 29.07  ?  15  GLN E C   1 
ATOM   910  O  O   . GLN E  1 15 ? -12.733 15.312  8.881   1.00 29.38  ?  15  GLN E O   1 
ATOM   911  C  CB  . GLN E  1 15 ? -10.453 16.571  6.918   1.00 32.69  ?  15  GLN E CB  1 
ATOM   912  C  CG  . GLN E  1 15 ? -10.840 17.427  5.718   1.00 35.26  ?  15  GLN E CG  1 
ATOM   913  C  CD  . GLN E  1 15 ? -10.038 17.084  4.471   1.00 35.36  ?  15  GLN E CD  1 
ATOM   914  O  OE1 . GLN E  1 15 ? -8.840  16.806  4.544   1.00 31.10  ?  15  GLN E OE1 1 
ATOM   915  N  NE2 . GLN E  1 15 ? -10.697 17.105  3.319   1.00 40.70  ?  15  GLN E NE2 1 
ATOM   916  N  N   . LEU E  1 16 ? -10.692 15.174  9.822   1.00 28.55  ?  16  LEU E N   1 
ATOM   917  C  CA  . LEU E  1 16 ? -11.062 14.007  10.614  1.00 30.82  ?  16  LEU E CA  1 
ATOM   918  C  C   . LEU E  1 16 ? -12.070 14.341  11.706  1.00 31.55  ?  16  LEU E C   1 
ATOM   919  O  O   . LEU E  1 16 ? -12.783 13.442  12.165  1.00 32.90  ?  16  LEU E O   1 
ATOM   920  C  CB  . LEU E  1 16 ? -9.821  13.368  11.238  1.00 28.58  ?  16  LEU E CB  1 
ATOM   921  C  CG  . LEU E  1 16 ? -8.820  12.747  10.262  1.00 27.66  ?  16  LEU E CG  1 
ATOM   922  C  CD1 . LEU E  1 16 ? -7.761  11.947  11.005  1.00 27.58  ?  16  LEU E CD1 1 
ATOM   923  C  CD2 . LEU E  1 16 ? -9.534  11.877  9.240   1.00 30.82  ?  16  LEU E CD2 1 
ATOM   924  N  N   . GLU E  1 17 ? -12.153 15.606  12.128  1.00 29.50  ?  17  GLU E N   1 
ATOM   925  C  CA  . GLU E  1 17 ? -13.125 15.982  13.148  1.00 31.48  ?  17  GLU E CA  1 
ATOM   926  C  C   . GLU E  1 17 ? -14.559 15.853  12.655  1.00 30.86  ?  17  GLU E C   1 
ATOM   927  O  O   . GLU E  1 17 ? -15.483 15.822  13.475  1.00 31.50  ?  17  GLU E O   1 
ATOM   928  C  CB  . GLU E  1 17 ? -12.865 17.409  13.631  1.00 32.88  ?  17  GLU E CB  1 
ATOM   929  C  CG  . GLU E  1 17 ? -11.584 17.550  14.427  1.00 33.51  ?  17  GLU E CG  1 
ATOM   930  C  CD  . GLU E  1 17 ? -11.695 18.573  15.541  1.00 37.43  ?  17  GLU E CD  1 
ATOM   931  O  OE1 . GLU E  1 17 ? -12.090 19.724  15.262  1.00 43.41  ?  17  GLU E OE1 1 
ATOM   932  O  OE2 . GLU E  1 17 ? -11.396 18.219  16.701  1.00 36.66  -1 17  GLU E OE2 1 
ATOM   933  N  N   . ASN E  1 18 ? -14.764 15.767  11.341  1.00 35.06  ?  18  ASN E N   1 
ATOM   934  C  CA  . ASN E  1 18 ? -16.097 15.584  10.785  1.00 38.36  ?  18  ASN E CA  1 
ATOM   935  C  C   . ASN E  1 18 ? -16.722 14.249  11.167  1.00 38.89  ?  18  ASN E C   1 
ATOM   936  O  O   . ASN E  1 18 ? -17.936 14.087  11.007  1.00 45.42  ?  18  ASN E O   1 
ATOM   937  C  CB  . ASN E  1 18 ? -16.045 15.708  9.261   1.00 34.36  ?  18  ASN E CB  1 
ATOM   938  C  CG  . ASN E  1 18 ? -15.676 17.105  8.802   1.00 34.30  ?  18  ASN E CG  1 
ATOM   939  O  OD1 . ASN E  1 18 ? -15.960 18.090  9.483   1.00 32.62  ?  18  ASN E OD1 1 
ATOM   940  N  ND2 . ASN E  1 18 ? -15.039 17.197  7.640   1.00 35.89  ?  18  ASN E ND2 1 
ATOM   941  N  N   . TYR E  1 19 ? -15.935 13.296  11.667  1.00 31.72  ?  19  TYR E N   1 
ATOM   942  C  CA  . TYR E  1 19 ? -16.432 11.965  11.987  1.00 36.97  ?  19  TYR E CA  1 
ATOM   943  C  C   . TYR E  1 19 ? -16.428 11.671  13.484  1.00 36.32  ?  19  TYR E C   1 
ATOM   944  O  O   . TYR E  1 19 ? -16.585 10.511  13.877  1.00 30.37  ?  19  TYR E O   1 
ATOM   945  C  CB  . TYR E  1 19 ? -15.621 10.912  11.230  1.00 39.27  ?  19  TYR E CB  1 
ATOM   946  C  CG  . TYR E  1 19 ? -15.564 11.175  9.742   1.00 35.46  ?  19  TYR E CG  1 
ATOM   947  C  CD1 . TYR E  1 19 ? -16.661 10.920  8.929   1.00 38.95  ?  19  TYR E CD1 1 
ATOM   948  C  CD2 . TYR E  1 19 ? -14.417 11.691  9.151   1.00 38.28  ?  19  TYR E CD2 1 
ATOM   949  C  CE1 . TYR E  1 19 ? -16.617 11.164  7.571   1.00 39.67  ?  19  TYR E CE1 1 
ATOM   950  C  CE2 . TYR E  1 19 ? -14.363 11.937  7.792   1.00 34.37  ?  19  TYR E CE2 1 
ATOM   951  C  CZ  . TYR E  1 19 ? -15.466 11.672  7.007   1.00 34.68  ?  19  TYR E CZ  1 
ATOM   952  O  OH  . TYR E  1 19 ? -15.419 11.916  5.653   1.00 39.10  ?  19  TYR E OH  1 
ATOM   953  N  N   . CYS E  1 20 ? -16.251 12.686  14.326  1.00 30.86  ?  20  CYS E N   1 
ATOM   954  C  CA  . CYS E  1 20 ? -16.432 12.505  15.757  1.00 31.45  ?  20  CYS E CA  1 
ATOM   955  C  C   . CYS E  1 20 ? -17.916 12.560  16.109  1.00 33.50  ?  20  CYS E C   1 
ATOM   956  O  O   . CYS E  1 20 ? -18.744 13.064  15.347  1.00 35.52  ?  20  CYS E O   1 
ATOM   957  C  CB  . CYS E  1 20 ? -15.670 13.570  16.547  1.00 33.71  ?  20  CYS E CB  1 
ATOM   958  S  SG  . CYS E  1 20 ? -13.899 13.647  16.205  1.00 38.83  ?  20  CYS E SG  1 
ATOM   959  N  N   . ASN E  1 21 ? -18.247 12.032  17.282  1.00 33.13  ?  21  ASN E N   1 
ATOM   960  C  CA  . ASN E  1 21 ? -19.629 12.048  17.745  1.00 39.38  ?  21  ASN E CA  1 
ATOM   961  C  C   . ASN E  1 21 ? -19.995 13.407  18.326  1.00 35.17  ?  21  ASN E C   1 
ATOM   962  O  O   . ASN E  1 21 ? -21.155 13.817  18.287  1.00 36.15  ?  21  ASN E O   1 
ATOM   963  C  CB  . ASN E  1 21 ? -19.864 10.949  18.784  1.00 37.77  ?  21  ASN E CB  1 
ATOM   964  C  CG  . ASN E  1 21 ? -19.953 9.572   18.160  1.00 39.00  ?  21  ASN E CG  1 
ATOM   965  O  OD1 . ASN E  1 21 ? -20.494 9.408   17.067  1.00 39.47  ?  21  ASN E OD1 1 
ATOM   966  N  ND2 . ASN E  1 21 ? -19.421 8.573   18.852  1.00 40.98  ?  21  ASN E ND2 1 
ATOM   967  O  OXT . ASN E  1 21 ? -19.141 14.128  18.842  1.00 35.33  -1 21  ASN E OXT 1 
ATOM   968  N  N   . PHE F  2 1  ? -10.444 -5.368  -1.309  1.00 68.55  ?  1   PHE F N   1 
ATOM   969  C  CA  . PHE F  2 1  ? -9.264  -4.516  -1.385  1.00 56.28  ?  1   PHE F CA  1 
ATOM   970  C  C   . PHE F  2 1  ? -8.475  -4.578  -0.078  1.00 50.81  ?  1   PHE F C   1 
ATOM   971  O  O   . PHE F  2 1  ? -8.900  -4.033  0.941   1.00 47.05  ?  1   PHE F O   1 
ATOM   972  C  CB  . PHE F  2 1  ? -9.665  -3.073  -1.697  1.00 55.09  ?  1   PHE F CB  1 
ATOM   973  C  CG  . PHE F  2 1  ? -8.652  -2.322  -2.516  1.00 55.34  ?  1   PHE F CG  1 
ATOM   974  C  CD1 . PHE F  2 1  ? -7.366  -2.812  -2.674  1.00 62.59  ?  1   PHE F CD1 1 
ATOM   975  C  CD2 . PHE F  2 1  ? -8.988  -1.128  -3.131  1.00 54.88  ?  1   PHE F CD2 1 
ATOM   976  C  CE1 . PHE F  2 1  ? -6.434  -2.123  -3.430  1.00 58.33  ?  1   PHE F CE1 1 
ATOM   977  C  CE2 . PHE F  2 1  ? -8.062  -0.435  -3.885  1.00 60.46  ?  1   PHE F CE2 1 
ATOM   978  C  CZ  . PHE F  2 1  ? -6.783  -0.932  -4.035  1.00 61.58  ?  1   PHE F CZ  1 
ATOM   979  N  N   . VAL F  2 2  ? -7.321  -5.247  -0.115  1.00 48.04  ?  2   VAL F N   1 
ATOM   980  C  CA  . VAL F  2 2  ? -6.495  -5.374  1.083   1.00 51.98  ?  2   VAL F CA  1 
ATOM   981  C  C   . VAL F  2 2  ? -5.924  -4.020  1.491   1.00 50.38  ?  2   VAL F C   1 
ATOM   982  O  O   . VAL F  2 2  ? -5.813  -3.716  2.685   1.00 39.27  ?  2   VAL F O   1 
ATOM   983  C  CB  . VAL F  2 2  ? -5.388  -6.420  0.860   1.00 48.77  ?  2   VAL F CB  1 
ATOM   984  C  CG1 . VAL F  2 2  ? -4.352  -6.359  1.977   1.00 45.01  ?  2   VAL F CG1 1 
ATOM   985  C  CG2 . VAL F  2 2  ? -5.995  -7.812  0.765   1.00 45.96  ?  2   VAL F CG2 1 
ATOM   986  N  N   . ASN F  2 3  ? -5.553  -3.188  0.511   1.00 49.86  ?  3   ASN F N   1 
ATOM   987  C  CA  . ASN F  2 3  ? -5.129  -1.825  0.819   1.00 42.19  ?  3   ASN F CA  1 
ATOM   988  C  C   . ASN F  2 3  ? -6.195  -1.088  1.612   1.00 44.02  ?  3   ASN F C   1 
ATOM   989  O  O   . ASN F  2 3  ? -5.883  -0.322  2.530   1.00 38.78  ?  3   ASN F O   1 
ATOM   990  C  CB  . ASN F  2 3  ? -4.819  -1.060  -0.468  1.00 51.51  ?  3   ASN F CB  1 
ATOM   991  C  CG  . ASN F  2 3  ? -3.361  -1.127  -0.850  1.00 58.66  ?  3   ASN F CG  1 
ATOM   992  O  OD1 . ASN F  2 3  ? -2.551  -0.306  -0.415  1.00 61.07  ?  3   ASN F OD1 1 
ATOM   993  N  ND2 . ASN F  2 3  ? -3.017  -2.101  -1.682  1.00 64.38  ?  3   ASN F ND2 1 
ATOM   994  N  N   . GLN F  2 4  ? -7.464  -1.308  1.264   1.00 43.61  ?  4   GLN F N   1 
ATOM   995  C  CA  . GLN F  2 4  ? -8.557  -0.651  1.972   1.00 49.22  ?  4   GLN F CA  1 
ATOM   996  C  C   . GLN F  2 4  ? -8.577  -1.049  3.441   1.00 42.83  ?  4   GLN F C   1 
ATOM   997  O  O   . GLN F  2 4  ? -8.835  -0.213  4.315   1.00 43.97  ?  4   GLN F O   1 
ATOM   998  C  CB  . GLN F  2 4  ? -9.884  -0.993  1.296   1.00 44.98  ?  4   GLN F CB  1 
ATOM   999  C  CG  . GLN F  2 4  ? -11.078 -0.238  1.835   1.00 47.77  ?  4   GLN F CG  1 
ATOM   1000 C  CD  . GLN F  2 4  ? -12.302 -0.412  0.961   1.00 49.70  ?  4   GLN F CD  1 
ATOM   1001 O  OE1 . GLN F  2 4  ? -12.200 -0.460  -0.265  1.00 48.79  ?  4   GLN F OE1 1 
ATOM   1002 N  NE2 . GLN F  2 4  ? -13.467 -0.516  1.587   1.00 50.02  ?  4   GLN F NE2 1 
ATOM   1003 N  N   . HIS F  2 5  ? -8.313  -2.324  3.731   1.00 32.73  ?  5   HIS F N   1 
ATOM   1004 C  CA  . HIS F  2 5  ? -8.262  -2.782  5.115   1.00 32.02  ?  5   HIS F CA  1 
ATOM   1005 C  C   . HIS F  2 5  ? -7.106  -2.137  5.870   1.00 25.64  ?  5   HIS F C   1 
ATOM   1006 O  O   . HIS F  2 5  ? -7.236  -1.812  7.056   1.00 30.92  ?  5   HIS F O   1 
ATOM   1007 C  CB  . HIS F  2 5  ? -8.149  -4.306  5.154   1.00 31.51  ?  5   HIS F CB  1 
ATOM   1008 C  CG  . HIS F  2 5  ? -8.371  -4.897  6.511   1.00 34.33  ?  5   HIS F CG  1 
ATOM   1009 N  ND1 . HIS F  2 5  ? -7.338  -5.335  7.311   1.00 33.18  ?  5   HIS F ND1 1 
ATOM   1010 C  CD2 . HIS F  2 5  ? -9.510  -5.134  7.205   1.00 34.02  ?  5   HIS F CD2 1 
ATOM   1011 C  CE1 . HIS F  2 5  ? -7.830  -5.808  8.442   1.00 34.52  ?  5   HIS F CE1 1 
ATOM   1012 N  NE2 . HIS F  2 5  ? -9.145  -5.697  8.403   1.00 40.37  ?  5   HIS F NE2 1 
ATOM   1013 N  N   . LEU F  2 6  ? -5.966  -1.942  5.200   1.00 32.05  ?  6   LEU F N   1 
ATOM   1014 C  CA  . LEU F  2 6  ? -4.812  -1.348  5.868   1.00 30.19  ?  6   LEU F CA  1 
ATOM   1015 C  C   . LEU F  2 6  ? -5.046  0.124   6.188   1.00 34.31  ?  6   LEU F C   1 
ATOM   1016 O  O   . LEU F  2 6  ? -4.710  0.582   7.286   1.00 34.36  ?  6   LEU F O   1 
ATOM   1017 C  CB  . LEU F  2 6  ? -3.560  -1.515  5.009   1.00 33.22  ?  6   LEU F CB  1 
ATOM   1018 C  CG  . LEU F  2 6  ? -3.139  -2.950  4.692   1.00 33.27  ?  6   LEU F CG  1 
ATOM   1019 C  CD1 . LEU F  2 6  ? -1.760  -2.972  4.049   1.00 34.41  ?  6   LEU F CD1 1 
ATOM   1020 C  CD2 . LEU F  2 6  ? -3.165  -3.807  5.946   1.00 31.34  ?  6   LEU F CD2 1 
ATOM   1021 N  N   . CYS F  2 7  ? -5.607  0.886   5.244   1.00 38.17  ?  7   CYS F N   1 
ATOM   1022 C  CA  . CYS F  2 7  ? -5.860  2.301   5.501   1.00 27.57  ?  7   CYS F CA  1 
ATOM   1023 C  C   . CYS F  2 7  ? -6.898  2.487   6.597   1.00 37.05  ?  7   CYS F C   1 
ATOM   1024 O  O   . CYS F  2 7  ? -6.761  3.375   7.446   1.00 35.19  ?  7   CYS F O   1 
ATOM   1025 C  CB  . CYS F  2 7  ? -6.313  3.009   4.228   1.00 29.63  ?  7   CYS F CB  1 
ATOM   1026 S  SG  . CYS F  2 7  ? -6.842  4.709   4.525   1.00 33.98  ?  7   CYS F SG  1 
ATOM   1027 N  N   . GLY F  2 8  ? -7.949  1.665   6.588   1.00 40.68  ?  8   GLY F N   1 
ATOM   1028 C  CA  . GLY F  2 8  ? -8.926  1.719   7.659   1.00 41.57  ?  8   GLY F CA  1 
ATOM   1029 C  C   . GLY F  2 8  ? -8.324  1.401   9.011   1.00 35.93  ?  8   GLY F C   1 
ATOM   1030 O  O   . GLY F  2 8  ? -8.808  1.880   10.039  1.00 32.10  ?  8   GLY F O   1 
ATOM   1031 N  N   . SER F  2 9  ? -7.263  0.591   9.032   1.00 35.60  ?  9   SER F N   1 
ATOM   1032 C  CA  . SER F  2 9  ? -6.559  0.318   10.277  1.00 40.79  ?  9   SER F CA  1 
ATOM   1033 C  C   . SER F  2 9  ? -5.817  1.541   10.799  1.00 30.43  ?  9   SER F C   1 
ATOM   1034 O  O   . SER F  2 9  ? -5.509  1.600   11.994  1.00 29.89  ?  9   SER F O   1 
ATOM   1035 C  CB  . SER F  2 9  ? -5.583  -0.843  10.084  1.00 35.23  ?  9   SER F CB  1 
ATOM   1036 O  OG  . SER F  2 9  ? -4.918  -1.153  11.296  1.00 40.98  ?  9   SER F OG  1 
ATOM   1037 N  N   . HIS F  2 10 ? -5.520  2.512   9.935   1.00 29.77  ?  10  HIS F N   1 
ATOM   1038 C  CA  . HIS F  2 10 ? -4.887  3.752   10.362  1.00 33.72  ?  10  HIS F CA  1 
ATOM   1039 C  C   . HIS F  2 10 ? -5.873  4.896   10.550  1.00 36.89  ?  10  HIS F C   1 
ATOM   1040 O  O   . HIS F  2 10 ? -5.576  5.828   11.306  1.00 37.82  ?  10  HIS F O   1 
ATOM   1041 C  CB  . HIS F  2 10 ? -3.809  4.176   9.357   1.00 34.40  ?  10  HIS F CB  1 
ATOM   1042 C  CG  . HIS F  2 10 ? -2.579  3.325   9.397   1.00 23.65  ?  10  HIS F CG  1 
ATOM   1043 N  ND1 . HIS F  2 10 ? -1.506  3.607   10.214  1.00 37.94  ?  10  HIS F ND1 1 
ATOM   1044 C  CD2 . HIS F  2 10 ? -2.252  2.197   8.722   1.00 29.56  ?  10  HIS F CD2 1 
ATOM   1045 C  CE1 . HIS F  2 10 ? -0.571  2.691   10.041  1.00 34.44  ?  10  HIS F CE1 1 
ATOM   1046 N  NE2 . HIS F  2 10 ? -0.998  1.824   9.141   1.00 25.73  ?  10  HIS F NE2 1 
ATOM   1047 N  N   . LEU F  2 11 ? -7.028  4.853   9.882   1.00 27.07  ?  11  LEU F N   1 
ATOM   1048 C  CA  . LEU F  2 11 ? -8.037  5.885   10.094  1.00 25.85  ?  11  LEU F CA  1 
ATOM   1049 C  C   . LEU F  2 11 ? -8.620  5.808   11.498  1.00 30.40  ?  11  LEU F C   1 
ATOM   1050 O  O   . LEU F  2 11 ? -8.844  6.841   12.141  1.00 23.89  ?  11  LEU F O   1 
ATOM   1051 C  CB  . LEU F  2 11 ? -9.147  5.763   9.052   1.00 23.77  ?  11  LEU F CB  1 
ATOM   1052 C  CG  . LEU F  2 11 ? -8.846  6.203   7.621   1.00 25.39  ?  11  LEU F CG  1 
ATOM   1053 C  CD1 . LEU F  2 11 ? -10.090 6.036   6.770   1.00 32.89  ?  11  LEU F CD1 1 
ATOM   1054 C  CD2 . LEU F  2 11 ? -8.368  7.644   7.592   1.00 28.83  ?  11  LEU F CD2 1 
ATOM   1055 N  N   . VAL F  2 12 ? -8.874  4.594   11.989  1.00 37.84  ?  12  VAL F N   1 
ATOM   1056 C  CA  . VAL F  2 12 ? -9.476  4.435   13.310  1.00 36.20  ?  12  VAL F CA  1 
ATOM   1057 C  C   . VAL F  2 12 ? -8.543  4.966   14.392  1.00 36.92  ?  12  VAL F C   1 
ATOM   1058 O  O   . VAL F  2 12 ? -8.977  5.643   15.332  1.00 35.29  ?  12  VAL F O   1 
ATOM   1059 C  CB  . VAL F  2 12 ? -9.857  2.960   13.545  1.00 31.02  ?  12  VAL F CB  1 
ATOM   1060 C  CG1 A VAL F  2 12 ? -11.039 2.573   12.666  0.25 25.75  ?  12  VAL F CG1 1 
ATOM   1061 C  CG1 B VAL F  2 12 ? -10.373 2.762   14.954  0.75 33.63  ?  12  VAL F CG1 1 
ATOM   1062 C  CG2 A VAL F  2 12 ? -8.674  2.040   13.274  0.25 27.57  ?  12  VAL F CG2 1 
ATOM   1063 C  CG2 B VAL F  2 12 ? -10.895 2.513   12.524  0.75 50.12  ?  12  VAL F CG2 1 
ATOM   1064 N  N   . GLU F  2 13 ? -7.246  4.681   14.270  1.00 27.33  ?  13  GLU F N   1 
ATOM   1065 C  CA  . GLU F  2 13 ? -6.282  5.150   15.260  1.00 30.51  ?  13  GLU F CA  1 
ATOM   1066 C  C   . GLU F  2 13 ? -6.141  6.666   15.222  1.00 29.61  ?  13  GLU F C   1 
ATOM   1067 O  O   . GLU F  2 13 ? -5.968  7.305   16.267  1.00 27.31  ?  13  GLU F O   1 
ATOM   1068 C  CB  . GLU F  2 13 ? -4.934  4.470   15.026  1.00 28.88  ?  13  GLU F CB  1 
ATOM   1069 C  CG  . GLU F  2 13 ? -5.028  2.954   14.998  1.00 32.28  ?  13  GLU F CG  1 
ATOM   1070 C  CD  . GLU F  2 13 ? -3.706  2.285   14.687  0.00 37.94  ?  13  GLU F CD  1 
ATOM   1071 O  OE1 . GLU F  2 13 ? -3.028  2.720   13.734  1.00 38.71  ?  13  GLU F OE1 1 
ATOM   1072 O  OE2 . GLU F  2 13 ? -3.343  1.327   15.402  1.00 39.14  -1 13  GLU F OE2 1 
ATOM   1073 N  N   . ALA F  2 14 ? -6.209  7.258   14.028  1.00 31.59  ?  14  ALA F N   1 
ATOM   1074 C  CA  . ALA F  2 14 ? -6.172  8.712   13.920  1.00 39.06  ?  14  ALA F CA  1 
ATOM   1075 C  C   . ALA F  2 14 ? -7.420  9.342   14.526  1.00 32.58  ?  14  ALA F C   1 
ATOM   1076 O  O   . ALA F  2 14 ? -7.340  10.393  15.171  1.00 34.79  ?  14  ALA F O   1 
ATOM   1077 C  CB  . ALA F  2 14 ? -6.013  9.120   12.457  1.00 38.82  ?  14  ALA F CB  1 
ATOM   1078 N  N   . LEU F  2 15 ? -8.582  8.713   14.328  1.00 28.03  ?  15  LEU F N   1 
ATOM   1079 C  CA  . LEU F  2 15 ? -9.820  9.232   14.903  1.00 23.49  ?  15  LEU F CA  1 
ATOM   1080 C  C   . LEU F  2 15 ? -9.844  9.090   16.420  1.00 25.31  ?  15  LEU F C   1 
ATOM   1081 O  O   . LEU F  2 15 ? -10.461 9.913   17.106  1.00 24.55  ?  15  LEU F O   1 
ATOM   1082 C  CB  . LEU F  2 15 ? -11.026 8.522   14.289  1.00 20.65  ?  15  LEU F CB  1 
ATOM   1083 C  CG  . LEU F  2 15 ? -11.726 9.210   13.114  1.00 23.20  ?  15  LEU F CG  1 
ATOM   1084 C  CD1 . LEU F  2 15 ? -12.438 10.469  13.580  1.00 25.69  ?  15  LEU F CD1 1 
ATOM   1085 C  CD2 . LEU F  2 15 ? -10.745 9.528   11.993  1.00 22.26  ?  15  LEU F CD2 1 
ATOM   1086 N  N   . TYR F  2 16 ? -9.196  8.054   16.958  1.00 25.86  ?  16  TYR F N   1 
ATOM   1087 C  CA  . TYR F  2 16 ? -9.143  7.890   18.407  1.00 27.53  ?  16  TYR F CA  1 
ATOM   1088 C  C   . TYR F  2 16 ? -8.340  9.004   19.066  1.00 38.72  ?  16  TYR F C   1 
ATOM   1089 O  O   . TYR F  2 16 ? -8.646  9.405   20.195  1.00 36.70  ?  16  TYR F O   1 
ATOM   1090 C  CB  . TYR F  2 16 ? -8.551  6.523   18.755  1.00 28.14  ?  16  TYR F CB  1 
ATOM   1091 C  CG  . TYR F  2 16 ? -8.402  6.265   20.239  1.00 34.09  ?  16  TYR F CG  1 
ATOM   1092 C  CD1 . TYR F  2 16 ? -9.477  5.820   20.999  1.00 39.72  ?  16  TYR F CD1 1 
ATOM   1093 C  CD2 . TYR F  2 16 ? -7.182  6.452   20.878  1.00 38.63  ?  16  TYR F CD2 1 
ATOM   1094 C  CE1 . TYR F  2 16 ? -9.343  5.579   22.355  1.00 29.12  ?  16  TYR F CE1 1 
ATOM   1095 C  CE2 . TYR F  2 16 ? -7.040  6.214   22.233  1.00 32.81  ?  16  TYR F CE2 1 
ATOM   1096 C  CZ  . TYR F  2 16 ? -8.123  5.777   22.965  1.00 40.40  ?  16  TYR F CZ  1 
ATOM   1097 O  OH  . TYR F  2 16 ? -7.986  5.538   24.313  1.00 26.81  ?  16  TYR F OH  1 
ATOM   1098 N  N   . LEU F  2 17 ? -7.318  9.513   18.379  1.00 35.84  ?  17  LEU F N   1 
ATOM   1099 C  CA  . LEU F  2 17 ? -6.507  10.594  18.925  1.00 32.35  ?  17  LEU F CA  1 
ATOM   1100 C  C   . LEU F  2 17 ? -7.207  11.943  18.815  1.00 32.54  ?  17  LEU F C   1 
ATOM   1101 O  O   . LEU F  2 17 ? -7.154  12.750  19.749  1.00 38.93  ?  17  LEU F O   1 
ATOM   1102 C  CB  . LEU F  2 17 ? -5.161  10.640  18.203  1.00 32.82  ?  17  LEU F CB  1 
ATOM   1103 C  CG  . LEU F  2 17 ? -4.257  11.826  18.535  1.00 34.21  ?  17  LEU F CG  1 
ATOM   1104 C  CD1 . LEU F  2 17 ? -3.549  11.593  19.857  1.00 25.32  ?  17  LEU F CD1 1 
ATOM   1105 C  CD2 . LEU F  2 17 ? -3.259  12.084  17.414  1.00 25.56  ?  17  LEU F CD2 1 
ATOM   1106 N  N   . VAL F  2 18 ? -7.867  12.201  17.686  1.00 34.87  ?  18  VAL F N   1 
ATOM   1107 C  CA  . VAL F  2 18 ? -8.401  13.532  17.414  1.00 35.27  ?  18  VAL F CA  1 
ATOM   1108 C  C   . VAL F  2 18 ? -9.641  13.811  18.255  1.00 39.87  ?  18  VAL F C   1 
ATOM   1109 O  O   . VAL F  2 18 ? -9.749  14.866  18.891  1.00 31.81  ?  18  VAL F O   1 
ATOM   1110 C  CB  . VAL F  2 18 ? -8.691  13.687  15.910  1.00 32.83  ?  18  VAL F CB  1 
ATOM   1111 C  CG1 . VAL F  2 18 ? -9.415  14.989  15.649  1.00 35.99  ?  18  VAL F CG1 1 
ATOM   1112 C  CG2 . VAL F  2 18 ? -7.396  13.630  15.113  1.00 32.98  ?  18  VAL F CG2 1 
ATOM   1113 N  N   . CYS F  2 19 ? -10.592 12.872  18.277  1.00 34.97  ?  19  CYS F N   1 
ATOM   1114 C  CA  . CYS F  2 19 ? -11.864 13.124  18.949  1.00 39.59  ?  19  CYS F CA  1 
ATOM   1115 C  C   . CYS F  2 19 ? -11.697 13.207  20.461  1.00 42.28  ?  19  CYS F C   1 
ATOM   1116 O  O   . CYS F  2 19 ? -12.287 14.081  21.107  1.00 39.21  ?  19  CYS F O   1 
ATOM   1117 C  CB  . CYS F  2 19 ? -12.880 12.042  18.582  1.00 36.60  ?  19  CYS F CB  1 
ATOM   1118 S  SG  . CYS F  2 19 ? -13.177 11.844  16.809  1.00 35.51  ?  19  CYS F SG  1 
ATOM   1119 N  N   . GLY F  2 20 ? -10.913 12.308  21.040  1.00 37.92  ?  20  GLY F N   1 
ATOM   1120 C  CA  . GLY F  2 20 ? -10.712 12.325  22.481  1.00 40.38  ?  20  GLY F CA  1 
ATOM   1121 C  C   . GLY F  2 20 ? -11.888 11.712  23.211  1.00 41.04  ?  20  GLY F C   1 
ATOM   1122 O  O   . GLY F  2 20 ? -12.339 10.612  22.879  1.00 41.44  ?  20  GLY F O   1 
ATOM   1123 N  N   . GLU F  2 21 ? -12.387 12.426  24.222  1.00 42.74  ?  21  GLU F N   1 
ATOM   1124 C  CA  . GLU F  2 21 ? -13.507 11.953  25.027  0.79 39.71  ?  21  GLU F CA  1 
ATOM   1125 C  C   . GLU F  2 21 ? -14.831 11.975  24.275  1.00 40.76  ?  21  GLU F C   1 
ATOM   1126 O  O   . GLU F  2 21 ? -15.814 11.415  24.772  1.00 37.57  ?  21  GLU F O   1 
ATOM   1127 C  CB  . GLU F  2 21 ? -13.611 12.794  26.300  1.00 42.81  ?  21  GLU F CB  1 
ATOM   1128 C  CG  . GLU F  2 21 ? -13.468 14.288  26.057  1.00 42.14  ?  21  GLU F CG  1 
ATOM   1129 C  CD  . GLU F  2 21 ? -12.855 15.015  27.240  1.00 43.00  ?  21  GLU F CD  1 
ATOM   1130 O  OE1 . GLU F  2 21 ? -13.393 14.898  28.362  1.00 43.76  ?  21  GLU F OE1 1 
ATOM   1131 O  OE2 . GLU F  2 21 ? -11.825 15.696  27.048  1.00 44.41  -1 21  GLU F OE2 1 
ATOM   1132 N  N   . ARG F  2 22 ? -14.882 12.607  23.101  1.00 35.43  ?  22  ARG F N   1 
ATOM   1133 C  CA  . ARG F  2 22 ? -16.123 12.655  22.336  1.00 34.94  ?  22  ARG F CA  1 
ATOM   1134 C  C   . ARG F  2 22 ? -16.474 11.302  21.730  1.00 33.93  ?  22  ARG F C   1 
ATOM   1135 O  O   . ARG F  2 22 ? -17.658 10.968  21.610  1.00 35.22  ?  22  ARG F O   1 
ATOM   1136 C  CB  . ARG F  2 22 ? -16.017 13.706  21.234  1.00 35.74  ?  22  ARG F CB  1 
ATOM   1137 C  CG  . ARG F  2 22 ? -15.923 15.135  21.733  1.00 37.38  ?  22  ARG F CG  1 
ATOM   1138 C  CD  A ARG F  2 22 ? -15.642 16.103  20.597  0.33 52.02  ?  22  ARG F CD  1 
ATOM   1139 C  CD  B ARG F  2 22 ? -15.767 16.096  20.567  0.67 46.88  ?  22  ARG F CD  1 
ATOM   1140 N  NE  A ARG F  2 22 ? -14.309 15.916  20.037  0.33 38.06  ?  22  ARG F NE  1 
ATOM   1141 N  NE  B ARG F  2 22 ? -16.819 15.915  19.575  0.67 38.18  ?  22  ARG F NE  1 
ATOM   1142 C  CZ  A ARG F  2 22 ? -13.811 16.630  19.037  0.33 38.89  ?  22  ARG F CZ  1 
ATOM   1143 C  CZ  B ARG F  2 22 ? -16.850 16.521  18.395  0.67 38.40  ?  22  ARG F CZ  1 
ATOM   1144 N  NH1 A ARG F  2 22 ? -14.515 17.587  18.454  0.33 40.95  ?  22  ARG F NH1 1 
ATOM   1145 N  NH1 B ARG F  2 22 ? -15.894 17.355  18.021  0.67 39.43  ?  22  ARG F NH1 1 
ATOM   1146 N  NH2 A ARG F  2 22 ? -12.577 16.379  18.611  0.33 38.34  ?  22  ARG F NH2 1 
ATOM   1147 N  NH2 B ARG F  2 22 ? -17.864 16.280  17.569  0.67 39.01  ?  22  ARG F NH2 1 
ATOM   1148 N  N   . GLY F  2 23 ? -15.470 10.518  21.343  1.00 36.79  ?  23  GLY F N   1 
ATOM   1149 C  CA  . GLY F  2 23 ? -15.711 9.293   20.610  1.00 53.77  ?  23  GLY F CA  1 
ATOM   1150 C  C   . GLY F  2 23 ? -15.871 9.558   19.126  1.00 44.31  ?  23  GLY F C   1 
ATOM   1151 O  O   . GLY F  2 23 ? -15.844 10.694  18.650  1.00 40.01  ?  23  GLY F O   1 
ATOM   1152 N  N   . PHE F  2 24 ? -16.043 8.472   18.376  1.00 47.97  ?  24  PHE F N   1 
ATOM   1153 C  CA  . PHE F  2 24 ? -16.137 8.569   16.928  1.00 42.92  ?  24  PHE F CA  1 
ATOM   1154 C  C   . PHE F  2 24 ? -16.999 7.434   16.396  1.00 47.19  ?  24  PHE F C   1 
ATOM   1155 O  O   . PHE F  2 24 ? -17.321 6.478   17.105  1.00 51.26  ?  24  PHE F O   1 
ATOM   1156 C  CB  . PHE F  2 24 ? -14.748 8.551   16.275  1.00 36.81  ?  24  PHE F CB  1 
ATOM   1157 C  CG  . PHE F  2 24 ? -14.014 7.248   16.434  1.00 31.78  ?  24  PHE F CG  1 
ATOM   1158 C  CD1 . PHE F  2 24 ? -13.270 6.990   17.574  1.00 33.68  ?  24  PHE F CD1 1 
ATOM   1159 C  CD2 . PHE F  2 24 ? -14.061 6.286   15.438  1.00 30.88  ?  24  PHE F CD2 1 
ATOM   1160 C  CE1 . PHE F  2 24 ? -12.592 5.794   17.720  1.00 30.81  ?  24  PHE F CE1 1 
ATOM   1161 C  CE2 . PHE F  2 24 ? -13.387 5.088   15.578  1.00 29.57  ?  24  PHE F CE2 1 
ATOM   1162 C  CZ  . PHE F  2 24 ? -12.651 4.841   16.720  1.00 28.82  ?  24  PHE F CZ  1 
ATOM   1163 N  N   . PHE F  2 25 ? -17.376 7.561   15.125  1.00 36.31  ?  25  PHE F N   1 
ATOM   1164 C  CA  . PHE F  2 25 ? -18.136 6.545   14.412  1.00 35.50  ?  25  PHE F CA  1 
ATOM   1165 C  C   . PHE F  2 25 ? -17.423 6.237   13.104  1.00 35.23  ?  25  PHE F C   1 
ATOM   1166 O  O   . PHE F  2 25 ? -17.032 7.155   12.376  1.00 31.15  ?  25  PHE F O   1 
ATOM   1167 C  CB  . PHE F  2 25 ? -19.582 7.004   14.158  1.00 47.74  ?  25  PHE F CB  1 
ATOM   1168 C  CG  . PHE F  2 25 ? -19.697 8.322   13.431  1.00 47.49  ?  25  PHE F CG  1 
ATOM   1169 C  CD1 . PHE F  2 25 ? -19.584 9.521   14.116  1.00 42.99  ?  25  PHE F CD1 1 
ATOM   1170 C  CD2 . PHE F  2 25 ? -19.943 8.360   12.069  1.00 44.94  ?  25  PHE F CD2 1 
ATOM   1171 C  CE1 . PHE F  2 25 ? -19.698 10.730  13.452  1.00 50.49  ?  25  PHE F CE1 1 
ATOM   1172 C  CE2 . PHE F  2 25 ? -20.057 9.564   11.401  1.00 43.41  ?  25  PHE F CE2 1 
ATOM   1173 C  CZ  . PHE F  2 25 ? -19.934 10.750  12.093  1.00 43.31  ?  25  PHE F CZ  1 
ATOM   1174 N  N   . TYR F  2 26 ? -17.245 4.949   12.813  1.00 36.16  ?  26  TYR F N   1 
ATOM   1175 C  CA  . TYR F  2 26 ? -16.531 4.494   11.623  1.00 40.96  ?  26  TYR F CA  1 
ATOM   1176 C  C   . TYR F  2 26 ? -17.443 3.573   10.824  1.00 40.48  ?  26  TYR F C   1 
ATOM   1177 O  O   . TYR F  2 26 ? -17.686 2.431   11.227  1.00 41.93  ?  26  TYR F O   1 
ATOM   1178 C  CB  . TYR F  2 26 ? -15.234 3.780   12.004  1.00 41.67  ?  26  TYR F CB  1 
ATOM   1179 C  CG  . TYR F  2 26 ? -14.452 3.242   10.824  1.00 36.31  ?  26  TYR F CG  1 
ATOM   1180 C  CD1 . TYR F  2 26 ? -13.647 4.078   10.061  1.00 33.71  ?  26  TYR F CD1 1 
ATOM   1181 C  CD2 . TYR F  2 26 ? -14.512 1.897   10.478  1.00 33.86  ?  26  TYR F CD2 1 
ATOM   1182 C  CE1 . TYR F  2 26 ? -12.928 3.593   8.984   1.00 33.39  ?  26  TYR F CE1 1 
ATOM   1183 C  CE2 . TYR F  2 26 ? -13.796 1.403   9.403   1.00 41.28  ?  26  TYR F CE2 1 
ATOM   1184 C  CZ  . TYR F  2 26 ? -13.006 2.255   8.660   1.00 40.17  ?  26  TYR F CZ  1 
ATOM   1185 O  OH  . TYR F  2 26 ? -12.292 1.767   7.590   1.00 38.17  ?  26  TYR F OH  1 
ATOM   1186 N  N   . THR F  2 27 ? -17.943 4.065   9.693   1.00 48.07  ?  27  THR F N   1 
ATOM   1187 C  CA  . THR F  2 27 ? -18.806 3.281   8.809   1.00 42.58  ?  27  THR F CA  1 
ATOM   1188 C  C   . THR F  2 27 ? -18.158 3.149   7.440   1.00 41.07  ?  27  THR F C   1 
ATOM   1189 O  O   . THR F  2 27 ? -18.167 4.111   6.650   1.00 39.33  ?  27  THR F O   1 
ATOM   1190 C  CB  . THR F  2 27 ? -20.187 3.919   8.681   1.00 46.20  ?  27  THR F CB  1 
ATOM   1191 O  OG1 . THR F  2 27 ? -20.742 4.123   9.985   1.00 44.23  ?  27  THR F OG1 1 
ATOM   1192 C  CG2 . THR F  2 27 ? -21.114 3.019   7.883   1.00 44.33  ?  27  THR F CG2 1 
ATOM   1193 N  N   . PRO F  2 28 ? -17.576 1.996   7.111   1.00 37.36  ?  28  PRO F N   1 
ATOM   1194 C  CA  . PRO F  2 28 ? -17.065 1.797   5.749   1.00 39.78  ?  28  PRO F CA  1 
ATOM   1195 C  C   . PRO F  2 28 ? -18.193 1.742   4.731   1.00 38.46  ?  28  PRO F C   1 
ATOM   1196 O  O   . PRO F  2 28 ? -18.124 2.385   3.679   1.00 44.40  ?  28  PRO F O   1 
ATOM   1197 C  CB  . PRO F  2 28 ? -16.314 0.462   5.843   1.00 39.97  ?  28  PRO F CB  1 
ATOM   1198 C  CG  . PRO F  2 28 ? -16.941 -0.246  6.999   1.00 41.06  ?  28  PRO F CG  1 
ATOM   1199 C  CD  . PRO F  2 28 ? -17.340 0.825   7.974   1.00 40.52  ?  28  PRO F CD  1 
ATOM   1200 N  N   . LYS F  2 29 ? -19.242 0.988   5.045   1.00 41.40  ?  29  LYS F N   1 
ATOM   1201 C  CA  . LYS F  2 29 ? -20.399 0.864   4.165   1.00 44.47  ?  29  LYS F CA  1 
ATOM   1202 C  C   . LYS F  2 29 ? -21.697 1.107   4.928   1.00 52.01  ?  29  LYS F C   1 
ATOM   1203 O  O   . LYS F  2 29 ? -22.651 1.677   4.398   1.00 48.41  ?  29  LYS F O   1 
ATOM   1204 C  CB  . LYS F  2 29 ? -20.428 -0.519  3.508   1.00 45.05  ?  29  LYS F CB  1 
ATOM   1205 C  CG  . LYS F  2 29 ? -20.239 -0.498  2.001   1.00 46.63  ?  29  LYS F CG  1 
ATOM   1206 C  CD  . LYS F  2 29 ? -18.875 0.052   1.621   1.00 46.93  ?  29  LYS F CD  1 
ATOM   1207 C  CE  . LYS F  2 29 ? -17.758 -0.787  2.220   1.00 43.77  ?  29  LYS F CE  1 
ATOM   1208 N  NZ  . LYS F  2 29 ? -16.411 -0.226  1.923   1.00 51.33  ?  29  LYS F NZ  1 
ATOM   1209 O  OXT . LYS F  2 29 ? -21.823 0.740   6.097   1.00 48.10  -1 29  LYS F OXT 1 
ATOM   1210 N  N   . GLY G  1 1  ? -19.866 0.736   30.017  1.00 57.59  ?  1   GLY G N   1 
ATOM   1211 C  CA  . GLY G  1 1  ? -19.252 0.963   28.723  1.00 53.94  ?  1   GLY G CA  1 
ATOM   1212 C  C   . GLY G  1 1  ? -18.196 -0.067  28.374  1.00 45.43  ?  1   GLY G C   1 
ATOM   1213 O  O   . GLY G  1 1  ? -17.877 -0.942  29.180  1.00 45.53  ?  1   GLY G O   1 
ATOM   1214 N  N   . ILE G  1 2  ? -17.649 0.042   27.162  1.00 37.98  ?  2   ILE G N   1 
ATOM   1215 C  CA  . ILE G  1 2  ? -16.617 -0.893  26.727  1.00 33.63  ?  2   ILE G CA  1 
ATOM   1216 C  C   . ILE G  1 2  ? -15.342 -0.711  27.544  1.00 41.18  ?  2   ILE G C   1 
ATOM   1217 O  O   . ILE G  1 2  ? -14.631 -1.684  27.821  1.00 34.51  ?  2   ILE G O   1 
ATOM   1218 C  CB  . ILE G  1 2  ? -16.363 -0.742  25.213  1.00 30.93  ?  2   ILE G CB  1 
ATOM   1219 C  CG1 . ILE G  1 2  ? -15.380 -1.806  24.719  1.00 30.40  ?  2   ILE G CG1 1 
ATOM   1220 C  CG2 . ILE G  1 2  ? -15.871 0.661   24.877  1.00 30.04  ?  2   ILE G CG2 1 
ATOM   1221 C  CD1 . ILE G  1 2  ? -15.212 -1.823  23.215  1.00 26.62  ?  2   ILE G CD1 1 
ATOM   1222 N  N   . VAL G  1 3  ? -15.030 0.524   27.943  1.00 44.62  ?  3   VAL G N   1 
ATOM   1223 C  CA  . VAL G  1 3  ? -13.835 0.765   28.743  1.00 43.99  ?  3   VAL G CA  1 
ATOM   1224 C  C   . VAL G  1 3  ? -13.988 0.155   30.132  1.00 44.43  ?  3   VAL G C   1 
ATOM   1225 O  O   . VAL G  1 3  ? -13.029 -0.382  30.698  1.00 45.86  ?  3   VAL G O   1 
ATOM   1226 C  CB  . VAL G  1 3  ? -13.536 2.275   28.811  1.00 39.23  ?  3   VAL G CB  1 
ATOM   1227 C  CG1 . VAL G  1 3  ? -12.236 2.530   29.559  1.00 39.99  ?  3   VAL G CG1 1 
ATOM   1228 C  CG2 . VAL G  1 3  ? -13.481 2.870   27.412  1.00 39.83  ?  3   VAL G CG2 1 
ATOM   1229 N  N   . GLU G  1 4  ? -15.194 0.222   30.701  1.00 39.86  ?  4   GLU G N   1 
ATOM   1230 C  CA  . GLU G  1 4  ? -15.405 -0.311  32.043  1.00 44.81  ?  4   GLU G CA  1 
ATOM   1231 C  C   . GLU G  1 4  ? -15.299 -1.831  32.080  1.00 43.13  ?  4   GLU G C   1 
ATOM   1232 O  O   . GLU G  1 4  ? -14.950 -2.399  33.122  1.00 52.24  ?  4   GLU G O   1 
ATOM   1233 C  CB  . GLU G  1 4  ? -16.765 0.130   32.582  1.00 51.25  ?  4   GLU G CB  1 
ATOM   1234 C  CG  . GLU G  1 4  ? -16.844 1.597   32.961  1.00 60.38  ?  4   GLU G CG  1 
ATOM   1235 C  CD  . GLU G  1 4  ? -17.270 1.797   34.402  1.00 67.20  ?  4   GLU G CD  1 
ATOM   1236 O  OE1 . GLU G  1 4  ? -16.997 0.902   35.231  1.00 63.91  ?  4   GLU G OE1 1 
ATOM   1237 O  OE2 . GLU G  1 4  ? -17.882 2.842   34.705  1.00 87.45  -1 4   GLU G OE2 1 
ATOM   1238 N  N   . GLN G  1 5  ? -15.599 -2.506  30.973  1.00 42.12  ?  5   GLN G N   1 
ATOM   1239 C  CA  . GLN G  1 5  ? -15.577 -3.963  30.946  1.00 42.85  ?  5   GLN G CA  1 
ATOM   1240 C  C   . GLN G  1 5  ? -14.289 -4.535  30.369  1.00 42.58  ?  5   GLN G C   1 
ATOM   1241 O  O   . GLN G  1 5  ? -13.747 -5.500  30.917  1.00 39.67  ?  5   GLN G O   1 
ATOM   1242 C  CB  . GLN G  1 5  ? -16.770 -4.505  30.149  1.00 45.13  ?  5   GLN G CB  1 
ATOM   1243 C  CG  . GLN G  1 5  ? -16.927 -6.015  30.261  1.00 51.54  ?  5   GLN G CG  1 
ATOM   1244 C  CD  . GLN G  1 5  ? -17.754 -6.611  29.139  1.00 54.09  ?  5   GLN G CD  1 
ATOM   1245 O  OE1 . GLN G  1 5  ? -18.566 -5.927  28.514  1.00 56.59  ?  5   GLN G OE1 1 
ATOM   1246 N  NE2 . GLN G  1 5  ? -17.545 -7.895  28.873  1.00 52.08  ?  5   GLN G NE2 1 
ATOM   1247 N  N   . CYS G  1 6  ? -13.781 -3.965  29.276  1.00 38.64  ?  6   CYS G N   1 
ATOM   1248 C  CA  . CYS G  1 6  ? -12.642 -4.550  28.581  1.00 37.66  ?  6   CYS G CA  1 
ATOM   1249 C  C   . CYS G  1 6  ? -11.298 -4.025  29.062  1.00 35.56  ?  6   CYS G C   1 
ATOM   1250 O  O   . CYS G  1 6  ? -10.275 -4.674  28.816  1.00 33.37  ?  6   CYS G O   1 
ATOM   1251 C  CB  . CYS G  1 6  ? -12.776 -4.327  27.074  1.00 32.70  ?  6   CYS G CB  1 
ATOM   1252 S  SG  . CYS G  1 6  ? -14.271 -5.077  26.400  1.00 39.92  ?  6   CYS G SG  1 
ATOM   1253 N  N   . CYS G  1 7  ? -11.265 -2.878  29.735  1.00 38.05  ?  7   CYS G N   1 
ATOM   1254 C  CA  . CYS G  1 7  ? -10.043 -2.420  30.380  1.00 33.28  ?  7   CYS G CA  1 
ATOM   1255 C  C   . CYS G  1 7  ? -9.939  -2.899  31.821  1.00 42.61  ?  7   CYS G C   1 
ATOM   1256 O  O   . CYS G  1 7  ? -8.951  -2.590  32.495  1.00 42.07  ?  7   CYS G O   1 
ATOM   1257 C  CB  . CYS G  1 7  ? -9.943  -0.891  30.318  1.00 35.37  ?  7   CYS G CB  1 
ATOM   1258 S  SG  . CYS G  1 7  ? -9.793  -0.250  28.629  1.00 33.38  ?  7   CYS G SG  1 
ATOM   1259 N  N   . THR G  1 8  ? -10.933 -3.647  32.302  1.00 42.50  ?  8   THR G N   1 
ATOM   1260 C  CA  . THR G  1 8  ? -10.881 -4.303  33.601  1.00 44.66  ?  8   THR G CA  1 
ATOM   1261 C  C   . THR G  1 8  ? -10.779 -5.816  33.502  1.00 41.27  ?  8   THR G C   1 
ATOM   1262 O  O   . THR G  1 8  ? -10.146 -6.438  34.359  1.00 39.79  ?  8   THR G O   1 
ATOM   1263 C  CB  . THR G  1 8  ? -12.118 -3.943  34.434  1.00 44.32  ?  8   THR G CB  1 
ATOM   1264 O  OG1 . THR G  1 8  ? -13.303 -4.316  33.719  1.00 41.53  ?  8   THR G OG1 1 
ATOM   1265 C  CG2 . THR G  1 8  ? -12.150 -2.451  34.720  1.00 46.37  ?  8   THR G CG2 1 
ATOM   1266 N  N   . SER G  1 9  ? -11.390 -6.420  32.485  1.00 41.68  ?  9   SER G N   1 
ATOM   1267 C  CA  . SER G  1 9  ? -11.229 -7.836  32.188  1.00 40.03  ?  9   SER G CA  1 
ATOM   1268 C  C   . SER G  1 9  ? -10.969 -7.987  30.698  1.00 43.79  ?  9   SER G C   1 
ATOM   1269 O  O   . SER G  1 9  ? -11.494 -7.216  29.891  1.00 42.79  ?  9   SER G O   1 
ATOM   1270 C  CB  . SER G  1 9  ? -12.466 -8.652  32.590  1.00 46.02  ?  9   SER G CB  1 
ATOM   1271 O  OG  . SER G  1 9  ? -13.514 -8.494  31.649  1.00 46.70  ?  9   SER G OG  1 
ATOM   1272 N  N   . ILE G  1 10 ? -10.154 -8.975  30.336  1.00 37.05  ?  10  ILE G N   1 
ATOM   1273 C  CA  . ILE G  1 10 ? -9.850  -9.201  28.928  1.00 38.57  ?  10  ILE G CA  1 
ATOM   1274 C  C   . ILE G  1 10 ? -11.114 -9.664  28.219  1.00 39.02  ?  10  ILE G C   1 
ATOM   1275 O  O   . ILE G  1 10 ? -11.718 -10.678 28.592  1.00 43.71  ?  10  ILE G O   1 
ATOM   1276 C  CB  . ILE G  1 10 ? -8.712  -10.216 28.766  1.00 41.68  ?  10  ILE G CB  1 
ATOM   1277 C  CG1 . ILE G  1 10 ? -7.411  -9.642  29.328  1.00 40.30  ?  10  ILE G CG1 1 
ATOM   1278 C  CG2 . ILE G  1 10 ? -8.542  -10.596 27.306  1.00 42.67  ?  10  ILE G CG2 1 
ATOM   1279 C  CD1 . ILE G  1 10 ? -6.200  -10.516 29.075  1.00 41.57  ?  10  ILE G CD1 1 
ATOM   1280 N  N   . CYS G  1 11 ? -11.524 -8.921  27.195  1.00 65.41  ?  11  CYS G N   1 
ATOM   1281 C  CA  . CYS G  1 11 ? -12.743 -9.218  26.459  1.00 55.32  ?  11  CYS G CA  1 
ATOM   1282 C  C   . CYS G  1 11 ? -12.436 -10.169 25.310  1.00 63.21  ?  11  CYS G C   1 
ATOM   1283 O  O   . CYS G  1 11 ? -11.450 -9.986  24.590  1.00 61.63  ?  11  CYS G O   1 
ATOM   1284 C  CB  . CYS G  1 11 ? -13.378 -7.933  25.930  1.00 50.71  ?  11  CYS G CB  1 
ATOM   1285 S  SG  . CYS G  1 11 ? -14.243 -6.955  27.171  1.00 53.88  ?  11  CYS G SG  1 
ATOM   1286 N  N   . SER G  1 12 ? -13.278 -11.185 25.150  1.00 42.87  ?  12  SER G N   1 
ATOM   1287 C  CA  . SER G  1 12 ? -13.138 -12.133 24.057  1.00 42.84  ?  12  SER G CA  1 
ATOM   1288 C  C   . SER G  1 12 ? -13.772 -11.570 22.786  1.00 45.16  ?  12  SER G C   1 
ATOM   1289 O  O   . SER G  1 12 ? -14.511 -10.582 22.812  1.00 49.74  ?  12  SER G O   1 
ATOM   1290 C  CB  . SER G  1 12 ? -13.774 -13.474 24.423  1.00 43.54  ?  12  SER G CB  1 
ATOM   1291 O  OG  . SER G  1 12 ? -15.170 -13.337 24.617  1.00 35.72  ?  12  SER G OG  1 
ATOM   1292 N  N   . LEU G  1 13 ? -13.471 -12.221 21.658  1.00 40.65  ?  13  LEU G N   1 
ATOM   1293 C  CA  . LEU G  1 13 ? -13.965 -11.742 20.369  1.00 48.05  ?  13  LEU G CA  1 
ATOM   1294 C  C   . LEU G  1 13 ? -15.486 -11.657 20.350  1.00 34.81  ?  13  LEU G C   1 
ATOM   1295 O  O   . LEU G  1 13 ? -16.056 -10.740 19.747  1.00 33.87  ?  13  LEU G O   1 
ATOM   1296 C  CB  . LEU G  1 13 ? -13.467 -12.648 19.241  1.00 46.30  ?  13  LEU G CB  1 
ATOM   1297 C  CG  . LEU G  1 13 ? -11.976 -12.623 18.886  1.00 47.81  ?  13  LEU G CG  1 
ATOM   1298 C  CD1 . LEU G  1 13 ? -11.446 -11.196 18.871  1.00 43.34  ?  13  LEU G CD1 1 
ATOM   1299 C  CD2 . LEU G  1 13 ? -11.150 -13.506 19.814  1.00 46.90  ?  13  LEU G CD2 1 
ATOM   1300 N  N   . TYR G  1 14 ? -16.161 -12.605 21.004  1.00 32.56  ?  14  TYR G N   1 
ATOM   1301 C  CA  . TYR G  1 14 ? -17.615 -12.565 21.082  1.00 36.51  ?  14  TYR G CA  1 
ATOM   1302 C  C   . TYR G  1 14 ? -18.111 -11.406 21.936  1.00 44.17  ?  14  TYR G C   1 
ATOM   1303 O  O   . TYR G  1 14 ? -19.260 -10.979 21.776  1.00 43.68  ?  14  TYR G O   1 
ATOM   1304 C  CB  . TYR G  1 14 ? -18.146 -13.884 21.642  1.00 44.26  ?  14  TYR G CB  1 
ATOM   1305 C  CG  . TYR G  1 14 ? -17.641 -15.109 20.915  1.00 42.87  ?  14  TYR G CG  1 
ATOM   1306 C  CD1 . TYR G  1 14 ? -16.491 -15.765 21.336  1.00 44.71  ?  14  TYR G CD1 1 
ATOM   1307 C  CD2 . TYR G  1 14 ? -18.310 -15.606 19.805  1.00 43.81  ?  14  TYR G CD2 1 
ATOM   1308 C  CE1 . TYR G  1 14 ? -16.021 -16.883 20.673  1.00 41.34  ?  14  TYR G CE1 1 
ATOM   1309 C  CE2 . TYR G  1 14 ? -17.849 -16.724 19.134  1.00 44.95  ?  14  TYR G CE2 1 
ATOM   1310 C  CZ  . TYR G  1 14 ? -16.704 -17.360 19.572  1.00 44.16  ?  14  TYR G CZ  1 
ATOM   1311 O  OH  . TYR G  1 14 ? -16.241 -18.474 18.909  1.00 45.35  ?  14  TYR G OH  1 
ATOM   1312 N  N   . GLN G  1 15 ? -17.277 -10.894 22.841  1.00 37.95  ?  15  GLN G N   1 
ATOM   1313 C  CA  . GLN G  1 15 ? -17.660 -9.790  23.711  1.00 43.05  ?  15  GLN G CA  1 
ATOM   1314 C  C   . GLN G  1 15 ? -17.409 -8.432  23.066  1.00 39.00  ?  15  GLN G C   1 
ATOM   1315 O  O   . GLN G  1 15 ? -18.189 -7.496  23.273  1.00 34.28  ?  15  GLN G O   1 
ATOM   1316 C  CB  . GLN G  1 15 ? -16.911 -9.894  25.040  1.00 40.95  ?  15  GLN G CB  1 
ATOM   1317 C  CG  . GLN G  1 15 ? -17.376 -11.055 25.910  1.00 39.95  ?  15  GLN G CG  1 
ATOM   1318 C  CD  . GLN G  1 15 ? -16.460 -11.315 27.087  1.00 44.50  ?  15  GLN G CD  1 
ATOM   1319 O  OE1 . GLN G  1 15 ? -15.243 -11.400 26.930  1.00 44.31  ?  15  GLN G OE1 1 
ATOM   1320 N  NE2 . GLN G  1 15 ? -17.040 -11.433 28.279  1.00 42.12  ?  15  GLN G NE2 1 
ATOM   1321 N  N   . LEU G  1 16 ? -16.329 -8.300  22.288  1.00 32.41  ?  16  LEU G N   1 
ATOM   1322 C  CA  . LEU G  1 16 ? -16.151 -7.091  21.489  1.00 39.51  ?  16  LEU G CA  1 
ATOM   1323 C  C   . LEU G  1 16 ? -17.219 -6.981  20.412  1.00 41.78  ?  16  LEU G C   1 
ATOM   1324 O  O   . LEU G  1 16 ? -17.562 -5.872  19.990  1.00 41.70  ?  16  LEU G O   1 
ATOM   1325 C  CB  . LEU G  1 16 ? -14.763 -7.059  20.847  1.00 26.50  ?  16  LEU G CB  1 
ATOM   1326 C  CG  . LEU G  1 16 ? -13.562 -6.664  21.707  1.00 33.59  ?  16  LEU G CG  1 
ATOM   1327 C  CD1 . LEU G  1 16 ? -13.924 -5.560  22.697  1.00 32.74  ?  16  LEU G CD1 1 
ATOM   1328 C  CD2 . LEU G  1 16 ? -12.995 -7.873  22.419  1.00 33.25  ?  16  LEU G CD2 1 
ATOM   1329 N  N   . GLU G  1 17 ? -17.747 -8.119  19.954  1.00 41.97  ?  17  GLU G N   1 
ATOM   1330 C  CA  . GLU G  1 17 ? -18.775 -8.117  18.918  1.00 47.50  ?  17  GLU G CA  1 
ATOM   1331 C  C   . GLU G  1 17 ? -20.029 -7.377  19.366  1.00 50.22  ?  17  GLU G C   1 
ATOM   1332 O  O   . GLU G  1 17 ? -20.776 -6.856  18.528  1.00 55.64  ?  17  GLU G O   1 
ATOM   1333 C  CB  . GLU G  1 17 ? -19.106 -9.559  18.529  1.00 52.73  ?  17  GLU G CB  1 
ATOM   1334 C  CG  . GLU G  1 17 ? -20.130 -9.702  17.418  1.00 57.23  ?  17  GLU G CG  1 
ATOM   1335 C  CD  . GLU G  1 17 ? -20.485 -11.151 17.151  1.00 56.55  ?  17  GLU G CD  1 
ATOM   1336 O  OE1 . GLU G  1 17 ? -19.953 -12.031 17.862  1.00 51.33  ?  17  GLU G OE1 1 
ATOM   1337 O  OE2 . GLU G  1 17 ? -21.295 -11.411 16.235  1.00 57.00  -1 17  GLU G OE2 1 
ATOM   1338 N  N   . ASN G  1 18 ? -20.271 -7.311  20.680  1.00 52.37  ?  18  ASN G N   1 
ATOM   1339 C  CA  . ASN G  1 18 ? -21.447 -6.611  21.188  1.00 53.87  ?  18  ASN G CA  1 
ATOM   1340 C  C   . ASN G  1 18 ? -21.441 -5.135  20.813  1.00 51.05  ?  18  ASN G C   1 
ATOM   1341 O  O   . ASN G  1 18 ? -22.506 -4.544  20.601  1.00 66.25  ?  18  ASN G O   1 
ATOM   1342 C  CB  . ASN G  1 18 ? -21.536 -6.757  22.707  1.00 52.59  ?  18  ASN G CB  1 
ATOM   1343 C  CG  . ASN G  1 18 ? -22.217 -8.042  23.131  1.00 52.66  ?  18  ASN G CG  1 
ATOM   1344 O  OD1 . ASN G  1 18 ? -23.074 -8.567  22.419  1.00 61.34  ?  18  ASN G OD1 1 
ATOM   1345 N  ND2 . ASN G  1 18 ? -21.847 -8.551  24.301  1.00 42.16  ?  18  ASN G ND2 1 
ATOM   1346 N  N   . TYR G  1 19 ? -20.263 -4.527  20.720  1.00 46.99  ?  19  TYR G N   1 
ATOM   1347 C  CA  . TYR G  1 19 ? -20.148 -3.096  20.477  1.00 47.26  ?  19  TYR G CA  1 
ATOM   1348 C  C   . TYR G  1 19 ? -20.111 -2.743  18.996  1.00 43.31  ?  19  TYR G C   1 
ATOM   1349 O  O   . TYR G  1 19 ? -19.945 -1.567  18.658  1.00 48.85  ?  19  TYR G O   1 
ATOM   1350 C  CB  . TYR G  1 19 ? -18.902 -2.551  21.182  1.00 38.98  ?  19  TYR G CB  1 
ATOM   1351 C  CG  . TYR G  1 19 ? -18.865 -2.888  22.656  1.00 42.36  ?  19  TYR G CG  1 
ATOM   1352 C  CD1 . TYR G  1 19 ? -19.515 -2.087  23.587  1.00 40.02  ?  19  TYR G CD1 1 
ATOM   1353 C  CD2 . TYR G  1 19 ? -18.194 -4.015  23.116  1.00 40.88  ?  19  TYR G CD2 1 
ATOM   1354 C  CE1 . TYR G  1 19 ? -19.491 -2.395  24.937  1.00 38.92  ?  19  TYR G CE1 1 
ATOM   1355 C  CE2 . TYR G  1 19 ? -18.164 -4.330  24.464  1.00 38.91  ?  19  TYR G CE2 1 
ATOM   1356 C  CZ  . TYR G  1 19 ? -18.814 -3.517  25.369  1.00 42.16  ?  19  TYR G CZ  1 
ATOM   1357 O  OH  . TYR G  1 19 ? -18.786 -3.828  26.711  1.00 44.87  ?  19  TYR G OH  1 
ATOM   1358 N  N   . CYS G  1 20 ? -20.260 -3.724  18.112  1.00 49.79  ?  20  CYS G N   1 
ATOM   1359 C  CA  . CYS G  1 20 ? -20.285 -3.459  16.683  1.00 47.44  ?  20  CYS G CA  1 
ATOM   1360 C  C   . CYS G  1 20 ? -21.667 -2.982  16.247  1.00 51.88  ?  20  CYS G C   1 
ATOM   1361 O  O   . CYS G  1 20 ? -22.684 -3.263  16.886  1.00 53.30  ?  20  CYS G O   1 
ATOM   1362 C  CB  . CYS G  1 20 ? -19.896 -4.710  15.896  1.00 44.00  ?  20  CYS G CB  1 
ATOM   1363 S  SG  . CYS G  1 20 ? -18.228 -5.310  16.220  1.00 39.09  ?  20  CYS G SG  1 
ATOM   1364 N  N   . ASN G  1 21 ? -21.691 -2.249  15.137  1.00 45.05  ?  21  ASN G N   1 
ATOM   1365 C  CA  . ASN G  1 21 ? -22.944 -1.763  14.568  1.00 45.69  ?  21  ASN G CA  1 
ATOM   1366 C  C   . ASN G  1 21 ? -23.719 -2.902  13.917  1.00 46.94  ?  21  ASN G C   1 
ATOM   1367 O  O   . ASN G  1 21 ? -24.929 -2.807  13.714  1.00 52.50  ?  21  ASN G O   1 
ATOM   1368 C  CB  . ASN G  1 21 ? -22.683 -0.653  13.546  1.00 44.80  ?  21  ASN G CB  1 
ATOM   1369 C  CG  . ASN G  1 21 ? -22.174 0.622   14.187  1.00 45.93  ?  21  ASN G CG  1 
ATOM   1370 O  OD1 . ASN G  1 21 ? -22.385 0.859   15.376  1.00 57.02  ?  21  ASN G OD1 1 
ATOM   1371 N  ND2 . ASN G  1 21 ? -21.503 1.455   13.399  1.00 43.74  ?  21  ASN G ND2 1 
ATOM   1372 O  OXT . ASN G  1 21 ? -23.154 -3.942  13.580  1.00 43.35  -1 21  ASN G OXT 1 
ATOM   1373 N  N   . PHE H  2 1  ? -5.605  10.561  32.816  1.00 48.25  ?  1   PHE H N   1 
ATOM   1374 C  CA  . PHE H  2 1  ? -5.267  9.168   33.090  1.00 46.05  ?  1   PHE H CA  1 
ATOM   1375 C  C   . PHE H  2 1  ? -4.747  8.466   31.835  1.00 48.27  ?  1   PHE H C   1 
ATOM   1376 O  O   . PHE H  2 1  ? -5.522  8.066   30.966  1.00 44.57  ?  1   PHE H O   1 
ATOM   1377 C  CB  . PHE H  2 1  ? -6.479  8.421   33.646  1.00 51.21  ?  1   PHE H CB  1 
ATOM   1378 C  CG  . PHE H  2 1  ? -6.169  7.024   34.083  1.00 50.14  ?  1   PHE H CG  1 
ATOM   1379 C  CD1 . PHE H  2 1  ? -4.899  6.692   34.524  1.00 52.59  ?  1   PHE H CD1 1 
ATOM   1380 C  CD2 . PHE H  2 1  ? -7.135  6.038   34.037  1.00 53.19  ?  1   PHE H CD2 1 
ATOM   1381 C  CE1 . PHE H  2 1  ? -4.603  5.409   34.918  1.00 57.74  ?  1   PHE H CE1 1 
ATOM   1382 C  CE2 . PHE H  2 1  ? -6.843  4.751   34.427  1.00 56.34  ?  1   PHE H CE2 1 
ATOM   1383 C  CZ  . PHE H  2 1  ? -5.575  4.437   34.868  1.00 60.94  ?  1   PHE H CZ  1 
ATOM   1384 N  N   . VAL H  2 2  ? -3.425  8.297   31.768  1.00 51.47  ?  2   VAL H N   1 
ATOM   1385 C  CA  . VAL H  2 2  ? -2.789  7.800   30.550  1.00 47.75  ?  2   VAL H CA  1 
ATOM   1386 C  C   . VAL H  2 2  ? -3.109  6.327   30.318  1.00 49.74  ?  2   VAL H C   1 
ATOM   1387 O  O   . VAL H  2 2  ? -3.354  5.907   29.181  1.00 41.60  ?  2   VAL H O   1 
ATOM   1388 C  CB  . VAL H  2 2  ? -1.270  8.041   30.610  1.00 44.85  ?  2   VAL H CB  1 
ATOM   1389 C  CG1 . VAL H  2 2  ? -0.589  7.473   29.371  1.00 38.19  ?  2   VAL H CG1 1 
ATOM   1390 C  CG2 . VAL H  2 2  ? -0.971  9.525   30.762  1.00 39.14  ?  2   VAL H CG2 1 
ATOM   1391 N  N   . ASN H  2 3  ? -3.106  5.519   31.382  1.00 54.79  ?  3   ASN H N   1 
ATOM   1392 C  CA  . ASN H  2 3  ? -3.193  4.071   31.206  1.00 52.32  ?  3   ASN H CA  1 
ATOM   1393 C  C   . ASN H  2 3  ? -4.509  3.661   30.554  1.00 39.26  ?  3   ASN H C   1 
ATOM   1394 O  O   . ASN H  2 3  ? -4.532  2.768   29.699  1.00 44.31  ?  3   ASN H O   1 
ATOM   1395 C  CB  . ASN H  2 3  ? -3.011  3.361   32.546  1.00 67.83  ?  3   ASN H CB  1 
ATOM   1396 C  CG  . ASN H  2 3  ? -2.104  2.151   32.442  1.00 80.66  ?  3   ASN H CG  1 
ATOM   1397 O  OD1 . ASN H  2 3  ? -2.511  1.094   31.958  1.00 81.14  ?  3   ASN H OD1 1 
ATOM   1398 N  ND2 . ASN H  2 3  ? -0.865  2.301   32.897  1.00 94.24  ?  3   ASN H ND2 1 
ATOM   1399 N  N   . GLN H  2 4  ? -5.617  4.294   30.949  1.00 37.99  ?  4   GLN H N   1 
ATOM   1400 C  CA  . GLN H  2 4  ? -6.883  4.047   30.266  1.00 43.52  ?  4   GLN H CA  1 
ATOM   1401 C  C   . GLN H  2 4  ? -6.810  4.469   28.805  1.00 37.40  ?  4   GLN H C   1 
ATOM   1402 O  O   . GLN H  2 4  ? -7.297  3.756   27.919  1.00 36.04  ?  4   GLN H O   1 
ATOM   1403 C  CB  . GLN H  2 4  ? -8.020  4.785   30.972  1.00 41.28  ?  4   GLN H CB  1 
ATOM   1404 C  CG  . GLN H  2 4  ? -9.239  5.020   30.097  1.00 43.38  ?  4   GLN H CG  1 
ATOM   1405 C  CD  . GLN H  2 4  ? -10.333 5.783   30.814  1.00 53.80  ?  4   GLN H CD  1 
ATOM   1406 O  OE1 . GLN H  2 4  ? -11.063 6.563   30.202  1.00 60.58  ?  4   GLN H OE1 1 
ATOM   1407 N  NE2 . GLN H  2 4  ? -10.457 5.557   32.116  1.00 61.78  ?  4   GLN H NE2 1 
ATOM   1408 N  N   . HIS H  2 5  ? -6.199  5.627   28.535  1.00 34.81  ?  5   HIS H N   1 
ATOM   1409 C  CA  . HIS H  2 5  ? -6.060  6.093   27.159  1.00 29.17  ?  5   HIS H CA  1 
ATOM   1410 C  C   . HIS H  2 5  ? -5.257  5.112   26.317  1.00 30.52  ?  5   HIS H C   1 
ATOM   1411 O  O   . HIS H  2 5  ? -5.508  4.976   25.114  1.00 31.09  ?  5   HIS H O   1 
ATOM   1412 C  CB  . HIS H  2 5  ? -5.406  7.475   27.139  1.00 30.40  ?  5   HIS H CB  1 
ATOM   1413 C  CG  . HIS H  2 5  ? -5.313  8.082   25.774  1.00 27.63  ?  5   HIS H CG  1 
ATOM   1414 N  ND1 . HIS H  2 5  ? -4.206  7.933   24.967  1.00 27.28  ?  5   HIS H ND1 1 
ATOM   1415 C  CD2 . HIS H  2 5  ? -6.187  8.845   25.077  1.00 29.72  ?  5   HIS H CD2 1 
ATOM   1416 C  CE1 . HIS H  2 5  ? -4.404  8.574   23.829  1.00 27.03  ?  5   HIS H CE1 1 
ATOM   1417 N  NE2 . HIS H  2 5  ? -5.598  9.137   23.870  1.00 29.45  ?  5   HIS H NE2 1 
ATOM   1418 N  N   . LEU H  2 6  ? -4.290  4.421   26.924  1.00 35.73  ?  6   LEU H N   1 
ATOM   1419 C  CA  . LEU H  2 6  ? -3.561  3.387   26.200  1.00 32.92  ?  6   LEU H CA  1 
ATOM   1420 C  C   . LEU H  2 6  ? -4.433  2.158   25.968  1.00 33.69  ?  6   LEU H C   1 
ATOM   1421 O  O   . LEU H  2 6  ? -4.366  1.538   24.900  1.00 33.41  ?  6   LEU H O   1 
ATOM   1422 C  CB  . LEU H  2 6  ? -2.287  3.014   26.956  1.00 28.92  ?  6   LEU H CB  1 
ATOM   1423 C  CG  . LEU H  2 6  ? -1.301  4.155   27.220  1.00 28.80  ?  6   LEU H CG  1 
ATOM   1424 C  CD1 . LEU H  2 6  ? -0.066  3.650   27.956  1.00 30.16  ?  6   LEU H CD1 1 
ATOM   1425 C  CD2 . LEU H  2 6  ? -0.914  4.848   25.923  1.00 27.79  ?  6   LEU H CD2 1 
ATOM   1426 N  N   . CYS H  2 7  ? -5.256  1.787   26.954  1.00 26.11  ?  7   CYS H N   1 
ATOM   1427 C  CA  . CYS H  2 7  ? -6.135  0.632   26.782  1.00 27.86  ?  7   CYS H CA  1 
ATOM   1428 C  C   . CYS H  2 7  ? -7.165  0.876   25.687  1.00 31.18  ?  7   CYS H C   1 
ATOM   1429 O  O   . CYS H  2 7  ? -7.429  -0.012  24.868  1.00 30.92  ?  7   CYS H O   1 
ATOM   1430 C  CB  . CYS H  2 7  ? -6.831  0.287   28.100  1.00 29.78  ?  7   CYS H CB  1 
ATOM   1431 S  SG  . CYS H  2 7  ? -8.052  -1.045  27.944  1.00 27.14  ?  7   CYS H SG  1 
ATOM   1432 N  N   . GLY H  2 8  ? -7.757  2.072   25.656  1.00 31.70  ?  8   GLY H N   1 
ATOM   1433 C  CA  . GLY H  2 8  ? -8.732  2.388   24.630  1.00 25.21  ?  8   GLY H CA  1 
ATOM   1434 C  C   . GLY H  2 8  ? -8.148  2.468   23.237  1.00 31.79  ?  8   GLY H C   1 
ATOM   1435 O  O   . GLY H  2 8  ? -8.882  2.300   22.258  1.00 27.75  ?  8   GLY H O   1 
ATOM   1436 N  N   . SER H  2 9  ? -6.843  2.727   23.127  1.00 30.42  ?  9   SER H N   1 
ATOM   1437 C  CA  . SER H  2 9  ? -6.194  2.716   21.821  1.00 28.55  ?  9   SER H CA  1 
ATOM   1438 C  C   . SER H  2 9  ? -6.246  1.329   21.192  1.00 31.83  ?  9   SER H C   1 
ATOM   1439 O  O   . SER H  2 9  ? -6.491  1.193   19.988  1.00 32.70  ?  9   SER H O   1 
ATOM   1440 C  CB  . SER H  2 9  ? -4.747  3.194   21.951  1.00 25.01  ?  9   SER H CB  1 
ATOM   1441 O  OG  . SER H  2 9  ? -4.057  3.080   20.719  1.00 31.52  ?  9   SER H OG  1 
ATOM   1442 N  N   . HIS H  2 10 ? -6.019  0.286   21.993  1.00 26.30  ?  10  HIS H N   1 
ATOM   1443 C  CA  . HIS H  2 10 ? -6.090  -1.080  21.490  1.00 34.27  ?  10  HIS H CA  1 
ATOM   1444 C  C   . HIS H  2 10 ? -7.521  -1.568  21.310  1.00 25.52  ?  10  HIS H C   1 
ATOM   1445 O  O   . HIS H  2 10 ? -7.743  -2.528  20.564  1.00 32.75  ?  10  HIS H O   1 
ATOM   1446 C  CB  . HIS H  2 10 ? -5.341  -2.027  22.431  1.00 39.88  ?  10  HIS H CB  1 
ATOM   1447 C  CG  . HIS H  2 10 ? -3.875  -1.741  22.540  1.00 37.51  ?  10  HIS H CG  1 
ATOM   1448 N  ND1 . HIS H  2 10 ? -2.927  -2.427  21.812  1.00 39.33  ?  10  HIS H ND1 1 
ATOM   1449 C  CD2 . HIS H  2 10 ? -3.193  -0.847  23.296  1.00 32.70  ?  10  HIS H CD2 1 
ATOM   1450 C  CE1 . HIS H  2 10 ? -1.725  -1.966  22.112  1.00 33.96  ?  10  HIS H CE1 1 
ATOM   1451 N  NE2 . HIS H  2 10 ? -1.859  -1.008  23.010  1.00 30.86  ?  10  HIS H NE2 1 
ATOM   1452 N  N   . LEU H  2 11 ? -8.493  -0.932  21.971  1.00 32.37  ?  11  LEU H N   1 
ATOM   1453 C  CA  . LEU H  2 11 ? -9.877  -1.378  21.853  1.00 31.54  ?  11  LEU H CA  1 
ATOM   1454 C  C   . LEU H  2 11 ? -10.458 -1.041  20.486  1.00 23.38  ?  11  LEU H C   1 
ATOM   1455 O  O   . LEU H  2 11 ? -11.130 -1.877  19.870  1.00 22.12  ?  11  LEU H O   1 
ATOM   1456 C  CB  . LEU H  2 11 ? -10.725 -0.759  22.963  1.00 31.71  ?  11  LEU H CB  1 
ATOM   1457 C  CG  . LEU H  2 11 ? -10.791 -1.558  24.263  1.00 32.12  ?  11  LEU H CG  1 
ATOM   1458 C  CD1 . LEU H  2 11 ? -11.541 -0.785  25.336  1.00 33.71  ?  11  LEU H CD1 1 
ATOM   1459 C  CD2 . LEU H  2 11 ? -11.445 -2.908  24.011  1.00 32.12  ?  11  LEU H CD2 1 
ATOM   1460 N  N   . VAL H  2 12 ? -10.216 0.176   19.998  1.00 21.79  ?  12  VAL H N   1 
ATOM   1461 C  CA  . VAL H  2 12 ? -10.765 0.567   18.704  1.00 23.27  ?  12  VAL H CA  1 
ATOM   1462 C  C   . VAL H  2 12 ? -10.127 -0.240  17.579  1.00 32.25  ?  12  VAL H C   1 
ATOM   1463 O  O   . VAL H  2 12 ? -10.796 -0.577  16.594  1.00 23.62  ?  12  VAL H O   1 
ATOM   1464 C  CB  . VAL H  2 12 ? -10.609 2.084   18.494  1.00 20.65  ?  12  VAL H CB  1 
ATOM   1465 C  CG1 . VAL H  2 12 ? -11.452 2.839   19.504  1.00 22.08  ?  12  VAL H CG1 1 
ATOM   1466 C  CG2 . VAL H  2 12 ? -9.151  2.499   18.601  1.00 21.10  ?  12  VAL H CG2 1 
ATOM   1467 N  N   . GLU H  2 13 ? -8.837  -0.565  17.698  1.00 28.71  ?  13  GLU H N   1 
ATOM   1468 C  CA  . GLU H  2 13 ? -8.204  -1.436  16.713  1.00 31.22  ?  13  GLU H CA  1 
ATOM   1469 C  C   . GLU H  2 13 ? -8.805  -2.835  16.749  1.00 34.04  ?  13  GLU H C   1 
ATOM   1470 O  O   . GLU H  2 13 ? -9.034  -3.448  15.700  1.00 36.91  ?  13  GLU H O   1 
ATOM   1471 C  CB  . GLU H  2 13 ? -6.696  -1.496  16.949  1.00 46.44  ?  13  GLU H CB  1 
ATOM   1472 C  CG  . GLU H  2 13 ? -5.990  -2.553  16.116  1.00 52.29  ?  13  GLU H CG  1 
ATOM   1473 C  CD  . GLU H  2 13 ? -4.491  -2.344  16.057  0.00 68.96  ?  13  GLU H CD  1 
ATOM   1474 O  OE1 . GLU H  2 13 ? -4.027  -1.246  16.432  0.76 68.61  ?  13  GLU H OE1 1 
ATOM   1475 O  OE2 . GLU H  2 13 ? -3.778  -3.278  15.635  1.00 59.02  -1 13  GLU H OE2 1 
ATOM   1476 N  N   . ALA H  2 14 ? -9.056  -3.362  17.949  1.00 21.20  ?  14  ALA H N   1 
ATOM   1477 C  CA  . ALA H  2 14 ? -9.716  -4.659  18.063  1.00 27.00  ?  14  ALA H CA  1 
ATOM   1478 C  C   . ALA H  2 14 ? -11.132 -4.606  17.502  1.00 28.26  ?  14  ALA H C   1 
ATOM   1479 O  O   . ALA H  2 14 ? -11.583 -5.550  16.843  1.00 28.23  ?  14  ALA H O   1 
ATOM   1480 C  CB  . ALA H  2 14 ? -9.731  -5.116  19.522  1.00 25.99  ?  14  ALA H CB  1 
ATOM   1481 N  N   . LEU H  2 15 ? -11.851 -3.509  17.756  1.00 29.47  ?  15  LEU H N   1 
ATOM   1482 C  CA  . LEU H  2 15 ? -13.187 -3.357  17.190  1.00 29.14  ?  15  LEU H CA  1 
ATOM   1483 C  C   . LEU H  2 15 ? -13.137 -3.294  15.669  1.00 28.15  ?  15  LEU H C   1 
ATOM   1484 O  O   . LEU H  2 15 ? -14.018 -3.832  14.988  1.00 29.29  ?  15  LEU H O   1 
ATOM   1485 C  CB  . LEU H  2 15 ? -13.865 -2.107  17.755  1.00 30.96  ?  15  LEU H CB  1 
ATOM   1486 C  CG  . LEU H  2 15 ? -14.385 -2.185  19.192  1.00 26.75  ?  15  LEU H CG  1 
ATOM   1487 C  CD1 . LEU H  2 15 ? -15.053 -0.879  19.593  1.00 29.11  ?  15  LEU H CD1 1 
ATOM   1488 C  CD2 . LEU H  2 15 ? -15.348 -3.349  19.347  1.00 36.16  ?  15  LEU H CD2 1 
ATOM   1489 N  N   . TYR H  2 16 ? -12.109 -2.646  15.117  1.00 25.93  ?  16  TYR H N   1 
ATOM   1490 C  CA  . TYR H  2 16 ? -11.996 -2.535  13.666  1.00 32.21  ?  16  TYR H CA  1 
ATOM   1491 C  C   . TYR H  2 16 ? -11.901 -3.908  13.010  1.00 33.46  ?  16  TYR H C   1 
ATOM   1492 O  O   . TYR H  2 16 ? -12.524 -4.152  11.970  1.00 31.67  ?  16  TYR H O   1 
ATOM   1493 C  CB  . TYR H  2 16 ? -10.785 -1.677  13.301  1.00 34.54  ?  16  TYR H CB  1 
ATOM   1494 C  CG  . TYR H  2 16 ? -10.478 -1.646  11.823  1.00 35.36  ?  16  TYR H CG  1 
ATOM   1495 C  CD1 . TYR H  2 16 ? -11.254 -0.897  10.950  1.00 37.25  ?  16  TYR H CD1 1 
ATOM   1496 C  CD2 . TYR H  2 16 ? -9.409  -2.361  11.300  1.00 37.60  ?  16  TYR H CD2 1 
ATOM   1497 C  CE1 . TYR H  2 16 ? -10.978 -0.864  9.598   1.00 41.57  ?  16  TYR H CE1 1 
ATOM   1498 C  CE2 . TYR H  2 16 ? -9.124  -2.335  9.949   1.00 30.63  ?  16  TYR H CE2 1 
ATOM   1499 C  CZ  . TYR H  2 16 ? -9.912  -1.584  9.103   1.00 32.62  ?  16  TYR H CZ  1 
ATOM   1500 O  OH  . TYR H  2 16 ? -9.635  -1.551  7.757   1.00 42.42  ?  16  TYR H OH  1 
ATOM   1501 N  N   . LEU H  2 17 ? -11.125 -4.817  13.603  1.00 29.28  ?  17  LEU H N   1 
ATOM   1502 C  CA  . LEU H  2 17 ? -11.017 -6.167  13.058  1.00 27.22  ?  17  LEU H CA  1 
ATOM   1503 C  C   . LEU H  2 17 ? -12.297 -6.963  13.287  1.00 27.16  ?  17  LEU H C   1 
ATOM   1504 O  O   . LEU H  2 17 ? -12.768 -7.665  12.385  1.00 24.42  ?  17  LEU H O   1 
ATOM   1505 C  CB  . LEU H  2 17 ? -9.822  -6.891  13.680  1.00 24.14  ?  17  LEU H CB  1 
ATOM   1506 C  CG  . LEU H  2 17 ? -8.417  -6.686  13.105  1.00 31.15  ?  17  LEU H CG  1 
ATOM   1507 C  CD1 . LEU H  2 17 ? -7.970  -5.233  13.173  1.00 34.25  ?  17  LEU H CD1 1 
ATOM   1508 C  CD2 . LEU H  2 17 ? -7.437  -7.577  13.845  1.00 31.44  ?  17  LEU H CD2 1 
ATOM   1509 N  N   . VAL H  2 18 ? -12.871 -6.866  14.488  1.00 27.61  ?  18  VAL H N   1 
ATOM   1510 C  CA  . VAL H  2 18 ? -14.026 -7.689  14.838  1.00 30.06  ?  18  VAL H CA  1 
ATOM   1511 C  C   . VAL H  2 18 ? -15.263 -7.248  14.061  1.00 36.15  ?  18  VAL H C   1 
ATOM   1512 O  O   . VAL H  2 18 ? -16.013 -8.077  13.535  1.00 50.48  ?  18  VAL H O   1 
ATOM   1513 C  CB  . VAL H  2 18 ? -14.269 -7.650  16.358  1.00 35.35  ?  18  VAL H CB  1 
ATOM   1514 C  CG1 . VAL H  2 18 ? -15.586 -8.319  16.706  1.00 48.86  ?  18  VAL H CG1 1 
ATOM   1515 C  CG2 . VAL H  2 18 ? -13.124 -8.325  17.097  1.00 35.71  ?  18  VAL H CG2 1 
ATOM   1516 N  N   . CYS H  2 19 ? -15.497 -5.937  13.983  1.00 34.93  ?  19  CYS H N   1 
ATOM   1517 C  CA  . CYS H  2 19 ? -16.730 -5.450  13.372  1.00 41.43  ?  19  CYS H CA  1 
ATOM   1518 C  C   . CYS H  2 19 ? -16.684 -5.578  11.855  1.00 30.79  ?  19  CYS H C   1 
ATOM   1519 O  O   . CYS H  2 19 ? -17.618 -6.103  11.238  1.00 39.46  ?  19  CYS H O   1 
ATOM   1520 C  CB  . CYS H  2 19 ? -16.984 -4.004  13.798  1.00 44.60  ?  19  CYS H CB  1 
ATOM   1521 S  SG  . CYS H  2 19 ? -17.045 -3.785  15.591  1.00 37.54  ?  19  CYS H SG  1 
ATOM   1522 N  N   . GLY H  2 20 ? -15.604 -5.119  11.238  1.00 31.30  ?  20  GLY H N   1 
ATOM   1523 C  CA  . GLY H  2 20 ? -15.488 -5.244  9.795   1.00 37.82  ?  20  GLY H CA  1 
ATOM   1524 C  C   . GLY H  2 20 ? -16.384 -4.252  9.080   1.00 35.52  ?  20  GLY H C   1 
ATOM   1525 O  O   . GLY H  2 20 ? -16.360 -3.048  9.353   1.00 41.13  ?  20  GLY H O   1 
ATOM   1526 N  N   . GLU H  2 21 ? -17.183 -4.760  8.138   1.00 33.94  ?  21  GLU H N   1 
ATOM   1527 C  CA  . GLU H  2 21 ? -18.051 -3.907  7.332   1.00 39.34  ?  21  GLU H CA  1 
ATOM   1528 C  C   . GLU H  2 21 ? -19.169 -3.266  8.144   1.00 34.49  ?  21  GLU H C   1 
ATOM   1529 O  O   . GLU H  2 21 ? -19.701 -2.230  7.730   1.00 36.47  ?  21  GLU H O   1 
ATOM   1530 C  CB  . GLU H  2 21 ? -18.660 -4.714  6.184   1.00 41.10  ?  21  GLU H CB  1 
ATOM   1531 C  CG  . GLU H  2 21 ? -17.660 -5.188  5.147   1.00 45.94  ?  21  GLU H CG  1 
ATOM   1532 C  CD  . GLU H  2 21 ? -18.282 -6.131  4.133   1.00 52.63  ?  21  GLU H CD  1 
ATOM   1533 O  OE1 . GLU H  2 21 ? -18.638 -7.267  4.515   1.00 55.91  ?  21  GLU H OE1 1 
ATOM   1534 O  OE2 . GLU H  2 21 ? -18.427 -5.733  2.958   1.00 54.76  -1 21  GLU H OE2 1 
ATOM   1535 N  N   . ARG H  2 22 ? -19.545 -3.864  9.277   1.00 32.74  ?  22  ARG H N   1 
ATOM   1536 C  CA  . ARG H  2 22 ? -20.638 -3.324  10.080  1.00 41.95  ?  22  ARG H CA  1 
ATOM   1537 C  C   . ARG H  2 22 ? -20.304 -1.941  10.623  1.00 47.21  ?  22  ARG H C   1 
ATOM   1538 O  O   . ARG H  2 22 ? -21.160 -1.048  10.642  1.00 43.11  ?  22  ARG H O   1 
ATOM   1539 C  CB  . ARG H  2 22 ? -20.962 -4.280  11.229  1.00 44.69  ?  22  ARG H CB  1 
ATOM   1540 C  CG  . ARG H  2 22 ? -21.398 -5.667  10.790  1.00 41.19  ?  22  ARG H CG  1 
ATOM   1541 C  CD  . ARG H  2 22 ? -21.593 -6.577  11.991  1.00 44.45  ?  22  ARG H CD  1 
ATOM   1542 N  NE  . ARG H  2 22 ? -20.502 -7.533  12.139  1.00 43.75  ?  22  ARG H NE  1 
ATOM   1543 C  CZ  . ARG H  2 22 ? -20.378 -8.377  13.154  1.00 47.96  ?  22  ARG H CZ  1 
ATOM   1544 N  NH1 . ARG H  2 22 ? -21.245 -8.389  14.154  1.00 50.09  ?  22  ARG H NH1 1 
ATOM   1545 N  NH2 . ARG H  2 22 ? -19.357 -9.229  13.167  1.00 51.82  ?  22  ARG H NH2 1 
ATOM   1546 N  N   . GLY H  2 23 ? -19.067 -1.743  11.066  1.00 45.49  ?  23  GLY H N   1 
ATOM   1547 C  CA  . GLY H  2 23 ? -18.701 -0.530  11.764  1.00 47.81  ?  23  GLY H CA  1 
ATOM   1548 C  C   . GLY H  2 23 ? -18.968 -0.635  13.250  1.00 40.36  ?  23  GLY H C   1 
ATOM   1549 O  O   . GLY H  2 23 ? -19.454 -1.644  13.768  1.00 50.91  ?  23  GLY H O   1 
ATOM   1550 N  N   . PHE H  2 24 ? -18.641 0.443   13.959  1.00 44.91  ?  24  PHE H N   1 
ATOM   1551 C  CA  . PHE H  2 24 ? -18.822 0.454   15.403  1.00 43.11  ?  24  PHE H CA  1 
ATOM   1552 C  C   . PHE H  2 24 ? -18.946 1.887   15.895  1.00 48.08  ?  24  PHE H C   1 
ATOM   1553 O  O   . PHE H  2 24 ? -18.444 2.823   15.267  1.00 46.31  ?  24  PHE H O   1 
ATOM   1554 C  CB  . PHE H  2 24 ? -17.664 -0.251  16.120  1.00 38.04  ?  24  PHE H CB  1 
ATOM   1555 C  CG  . PHE H  2 24 ? -16.312 0.338   15.823  1.00 42.28  ?  24  PHE H CG  1 
ATOM   1556 C  CD1 . PHE H  2 24 ? -15.800 1.367   16.599  1.00 39.80  ?  24  PHE H CD1 1 
ATOM   1557 C  CD2 . PHE H  2 24 ? -15.551 -0.141  14.771  1.00 36.70  ?  24  PHE H CD2 1 
ATOM   1558 C  CE1 . PHE H  2 24 ? -14.559 1.909   16.329  1.00 31.27  ?  24  PHE H CE1 1 
ATOM   1559 C  CE2 . PHE H  2 24 ? -14.306 0.398   14.496  1.00 33.26  ?  24  PHE H CE2 1 
ATOM   1560 C  CZ  . PHE H  2 24 ? -13.811 1.425   15.278  1.00 30.68  ?  24  PHE H CZ  1 
ATOM   1561 N  N   . PHE H  2 25 ? -19.627 2.039   17.027  1.00 62.58  ?  25  PHE H N   1 
ATOM   1562 C  CA  . PHE H  2 25 ? -19.681 3.289   17.769  1.00 62.89  ?  25  PHE H CA  1 
ATOM   1563 C  C   . PHE H  2 25 ? -18.811 3.152   19.009  1.00 63.28  ?  25  PHE H C   1 
ATOM   1564 O  O   . PHE H  2 25 ? -18.979 2.206   19.786  1.00 64.10  ?  25  PHE H O   1 
ATOM   1565 C  CB  . PHE H  2 25 ? -21.118 3.636   18.169  1.00 66.59  ?  25  PHE H CB  1 
ATOM   1566 C  CG  . PHE H  2 25 ? -21.844 4.489   17.166  1.00 64.46  ?  25  PHE H CG  1 
ATOM   1567 C  CD1 . PHE H  2 25 ? -21.776 5.870   17.238  1.00 64.47  ?  25  PHE H CD1 1 
ATOM   1568 C  CD2 . PHE H  2 25 ? -22.604 3.912   16.163  1.00 59.13  ?  25  PHE H CD2 1 
ATOM   1569 C  CE1 . PHE H  2 25 ? -22.443 6.660   16.324  1.00 58.61  ?  25  PHE H CE1 1 
ATOM   1570 C  CE2 . PHE H  2 25 ? -23.275 4.698   15.245  1.00 57.38  ?  25  PHE H CE2 1 
ATOM   1571 C  CZ  . PHE H  2 25 ? -23.193 6.074   15.326  1.00 56.01  ?  25  PHE H CZ  1 
ATOM   1572 N  N   . TYR H  2 26 ? -17.884 4.087   19.193  1.00 58.58  ?  26  TYR H N   1 
ATOM   1573 C  CA  . TYR H  2 26 ? -16.997 4.091   20.350  1.00 51.81  ?  26  TYR H CA  1 
ATOM   1574 C  C   . TYR H  2 26 ? -17.298 5.313   21.206  1.00 52.75  ?  26  TYR H C   1 
ATOM   1575 O  O   . TYR H  2 26 ? -17.209 6.449   20.727  1.00 52.19  ?  26  TYR H O   1 
ATOM   1576 C  CB  . TYR H  2 26 ? -15.528 4.085   19.925  1.00 44.61  ?  26  TYR H CB  1 
ATOM   1577 C  CG  . TYR H  2 26 ? -14.568 4.136   21.095  1.00 41.16  ?  26  TYR H CG  1 
ATOM   1578 C  CD1 . TYR H  2 26 ? -14.301 2.999   21.847  1.00 34.96  ?  26  TYR H CD1 1 
ATOM   1579 C  CD2 . TYR H  2 26 ? -13.932 5.320   21.449  1.00 38.48  ?  26  TYR H CD2 1 
ATOM   1580 C  CE1 . TYR H  2 26 ? -13.429 3.039   22.918  1.00 31.38  ?  26  TYR H CE1 1 
ATOM   1581 C  CE2 . TYR H  2 26 ? -13.057 5.370   22.520  1.00 36.39  ?  26  TYR H CE2 1 
ATOM   1582 C  CZ  . TYR H  2 26 ? -12.810 4.225   23.250  1.00 34.96  ?  26  TYR H CZ  1 
ATOM   1583 O  OH  . TYR H  2 26 ? -11.941 4.264   24.316  1.00 33.07  ?  26  TYR H OH  1 
ATOM   1584 N  N   . THR H  2 27 ? -17.657 5.078   22.462  1.00 51.23  ?  27  THR H N   1 
ATOM   1585 C  CA  . THR H  2 27 ? -17.885 6.152   23.426  1.00 54.04  ?  27  THR H CA  1 
ATOM   1586 C  C   . THR H  2 27 ? -17.021 5.930   24.657  1.00 48.93  ?  27  THR H C   1 
ATOM   1587 O  O   . THR H  2 27 ? -17.302 5.009   25.449  1.00 51.85  ?  27  THR H O   1 
ATOM   1588 C  CB  . THR H  2 27 ? -19.360 6.233   23.819  1.00 59.84  ?  27  THR H CB  1 
ATOM   1589 O  OG1 . THR H  2 27 ? -19.900 4.911   23.937  1.00 65.29  ?  27  THR H OG1 1 
ATOM   1590 C  CG2 . THR H  2 27 ? -20.146 7.016   22.780  1.00 61.81  ?  27  THR H CG2 1 
ATOM   1591 N  N   . PRO H  2 28 ? -15.969 6.715   24.863  1.00 50.88  ?  28  PRO H N   1 
ATOM   1592 C  CA  . PRO H  2 28 ? -15.193 6.597   26.100  1.00 56.75  ?  28  PRO H CA  1 
ATOM   1593 C  C   . PRO H  2 28 ? -15.965 7.151   27.286  1.00 64.98  ?  28  PRO H C   1 
ATOM   1594 O  O   . PRO H  2 28 ? -16.937 7.895   27.142  1.00 65.67  ?  28  PRO H O   1 
ATOM   1595 C  CB  . PRO H  2 28 ? -13.940 7.429   25.815  1.00 49.44  ?  28  PRO H CB  1 
ATOM   1596 C  CG  . PRO H  2 28 ? -14.388 8.430   24.808  1.00 46.38  ?  28  PRO H CG  1 
ATOM   1597 C  CD  . PRO H  2 28 ? -15.409 7.729   23.953  1.00 45.56  ?  28  PRO H CD  1 
ATOM   1598 N  N   . LYS H  2 29 ? -15.517 6.767   28.477  1.00 70.96  ?  29  LYS H N   1 
ATOM   1599 C  CA  . LYS H  2 29 ? -16.154 7.210   29.711  1.00 85.95  ?  29  LYS H CA  1 
ATOM   1600 C  C   . LYS H  2 29 ? -15.992 8.717   29.895  1.00 87.69  ?  29  LYS H C   1 
ATOM   1601 O  O   . LYS H  2 29 ? -16.661 9.331   30.726  1.00 92.27  ?  29  LYS H O   1 
ATOM   1602 C  CB  . LYS H  2 29 ? -15.574 6.459   30.914  1.00 94.79  ?  29  LYS H CB  1 
ATOM   1603 C  CG  . LYS H  2 29 ? -14.122 6.793   31.219  1.00 92.42  ?  29  LYS H CG  1 
ATOM   1604 C  CD  . LYS H  2 29 ? -14.007 7.793   32.358  1.00 98.11  ?  29  LYS H CD  1 
ATOM   1605 C  CE  . LYS H  2 29 ? -12.635 8.447   32.384  1.00 105.40 ?  29  LYS H CE  1 
ATOM   1606 N  NZ  . LYS H  2 29 ? -12.503 9.397   33.523  1.00 113.42 ?  29  LYS H NZ  1 
ATOM   1607 O  OXT . LYS H  2 29 ? -15.186 9.355   29.220  1.00 85.90  -1 29  LYS H OXT 1 
HETATM 1608 C  C1  . IPH I  3 .  ? -6.013  -8.647  -34.106 0.82 27.52  ?  101 IPH B C1  1 
HETATM 1609 C  C2  . IPH I  3 .  ? -6.863  -8.937  -33.045 0.82 33.30  ?  101 IPH B C2  1 
HETATM 1610 C  C3  . IPH I  3 .  ? -6.532  -8.526  -31.760 0.82 33.20  ?  101 IPH B C3  1 
HETATM 1611 C  C4  . IPH I  3 .  ? -5.351  -7.827  -31.537 0.82 29.75  ?  101 IPH B C4  1 
HETATM 1612 C  C5  . IPH I  3 .  ? -4.502  -7.536  -32.598 0.82 31.77  ?  101 IPH B C5  1 
HETATM 1613 C  C6  . IPH I  3 .  ? -4.832  -7.947  -33.884 0.82 32.88  ?  101 IPH B C6  1 
HETATM 1614 O  O1  . IPH I  3 .  ? -6.338  -9.052  -35.373 0.82 39.10  ?  101 IPH B O1  1 
HETATM 1615 ZN ZN  . ZN  J  4 .  ? 0.035   -0.076  -31.771 0.30 22.13  ?  102 ZN  B ZN  1 
HETATM 1616 CL CL  . CL  K  5 .  ? 0.089   0.155   -34.092 0.33 26.95  ?  103 CL  B CL  1 
HETATM 1617 C  C1  . MYR L  6 .  ? -16.254 1.169   -39.360 1.00 59.66  ?  104 MYR B C1  1 
HETATM 1618 O  O1  . MYR L  6 .  ? -15.779 0.211   -40.006 1.00 59.59  ?  104 MYR B O1  1 
HETATM 1619 C  C2  . MYR L  6 .  ? -15.838 2.585   -39.690 1.00 53.45  ?  104 MYR B C2  1 
HETATM 1620 C  C3  . MYR L  6 .  ? -16.183 2.884   -41.141 1.00 60.65  ?  104 MYR B C3  1 
HETATM 1621 C  C4  . MYR L  6 .  ? -14.979 3.511   -41.835 1.00 62.30  ?  104 MYR B C4  1 
HETATM 1622 C  C5  . MYR L  6 .  ? -13.810 2.539   -41.816 1.00 57.17  ?  104 MYR B C5  1 
HETATM 1623 C  C6  . MYR L  6 .  ? -12.485 3.267   -41.995 1.00 61.21  ?  104 MYR B C6  1 
HETATM 1624 C  C7  . MYR L  6 .  ? -11.340 2.265   -42.032 1.00 63.15  ?  104 MYR B C7  1 
HETATM 1625 C  C8  . MYR L  6 .  ? -9.996  2.977   -42.037 1.00 63.97  ?  104 MYR B C8  1 
HETATM 1626 C  C9  . MYR L  6 .  ? -9.823  3.790   -40.760 1.00 57.56  ?  104 MYR B C9  1 
HETATM 1627 C  C10 . MYR L  6 .  ? -8.449  4.441   -40.718 1.00 57.43  ?  104 MYR B C10 1 
HETATM 1628 C  C11 . MYR L  6 .  ? -7.442  3.562   -39.987 1.00 53.57  ?  104 MYR B C11 1 
HETATM 1629 C  C12 . MYR L  6 .  ? -6.078  4.238   -39.921 1.00 52.14  ?  104 MYR B C12 1 
HETATM 1630 C  C13 . MYR L  6 .  ? -5.052  3.326   -39.261 1.00 47.95  ?  104 MYR B C13 1 
HETATM 1631 C  C14 . MYR L  6 .  ? -3.702  4.022   -39.136 1.00 47.11  ?  104 MYR B C14 1 
HETATM 1632 C  C1  . IPH M  3 .  ? -0.460  10.817  -14.984 1.00 61.43  ?  101 IPH D C1  1 
HETATM 1633 C  C2  . IPH M  3 .  ? 0.167   9.589   -14.809 1.00 62.15  ?  101 IPH D C2  1 
HETATM 1634 C  C3  . IPH M  3 .  ? 0.305   8.720   -15.886 1.00 59.52  ?  101 IPH D C3  1 
HETATM 1635 C  C4  . IPH M  3 .  ? -0.183  9.080   -17.137 1.00 58.39  ?  101 IPH D C4  1 
HETATM 1636 C  C5  . IPH M  3 .  ? -0.809  10.309  -17.312 1.00 59.30  ?  101 IPH D C5  1 
HETATM 1637 C  C6  . IPH M  3 .  ? -0.948  11.177  -16.235 1.00 59.96  ?  101 IPH D C6  1 
HETATM 1638 O  O1  . IPH M  3 .  ? -0.596  11.673  -13.923 1.00 60.53  ?  101 IPH D O1  1 
HETATM 1639 ZN ZN  . ZN  N  4 .  ? 0.124   0.063   -16.298 0.33 32.55  ?  102 ZN  D ZN  1 
HETATM 1640 CL CL  . CL  O  5 .  ? -0.035  0.212   -13.819 0.33 65.24  ?  103 CL  D CL  1 
HETATM 1641 C  C1  . MYR P  6 .  ? -11.389 10.045  -5.778  0.34 86.24  ?  104 MYR D C1  1 
HETATM 1642 O  O1  . MYR P  6 .  ? -10.653 10.920  -6.284  0.34 90.14  ?  104 MYR D O1  1 
HETATM 1643 C  C2  . MYR P  6 .  ? -10.888 8.633   -5.606  0.34 82.05  ?  104 MYR D C2  1 
HETATM 1644 C  C3  . MYR P  6 .  ? -11.954 7.805   -4.893  0.34 80.59  ?  104 MYR D C3  1 
HETATM 1645 C  C4  . MYR P  6 .  ? -11.421 6.459   -4.421  0.34 73.57  ?  104 MYR D C4  1 
HETATM 1646 C  C5  . MYR P  6 .  ? -10.851 6.534   -3.005  0.34 65.37  ?  104 MYR D C5  1 
HETATM 1647 C  C6  . MYR P  6 .  ? -9.352  6.802   -3.038  0.34 66.04  ?  104 MYR D C6  1 
HETATM 1648 C  C7  . MYR P  6 .  ? -8.623  5.679   -3.767  0.34 74.39  ?  104 MYR D C7  1 
HETATM 1649 C  C8  . MYR P  6 .  ? -8.218  4.595   -2.779  0.34 69.97  ?  104 MYR D C8  1 
HETATM 1650 C  C9  . MYR P  6 .  ? -7.185  5.118   -1.787  0.34 70.26  ?  104 MYR D C9  1 
HETATM 1651 C  C10 . MYR P  6 .  ? -5.774  5.077   -2.360  0.34 74.92  ?  104 MYR D C10 1 
HETATM 1652 C  C11 . MYR P  6 .  ? -5.292  3.638   -2.520  0.34 87.06  ?  104 MYR D C11 1 
HETATM 1653 C  C12 . MYR P  6 .  ? -3.772  3.539   -2.446  0.34 87.42  ?  104 MYR D C12 1 
HETATM 1654 C  C13 . MYR P  6 .  ? -3.299  2.817   -1.189  0.34 76.56  ?  104 MYR D C13 1 
HETATM 1655 C  C14 . MYR P  6 .  ? -3.539  3.653   0.064   0.34 71.65  ?  104 MYR D C14 1 
HETATM 1656 C  C1  . IPH Q  3 .  ? -5.357  -9.296  6.120   0.95 29.37  ?  101 IPH F C1  1 
HETATM 1657 C  C2  . IPH Q  3 .  ? -5.974  -9.583  7.332   0.95 30.67  ?  101 IPH F C2  1 
HETATM 1658 C  C3  . IPH Q  3 .  ? -5.536  -8.965  8.497   0.95 38.75  ?  101 IPH F C3  1 
HETATM 1659 C  C4  . IPH Q  3 .  ? -4.481  -8.061  8.451   0.95 36.76  ?  101 IPH F C4  1 
HETATM 1660 C  C5  . IPH Q  3 .  ? -3.865  -7.774  7.238   0.95 31.86  ?  101 IPH F C5  1 
HETATM 1661 C  C6  . IPH Q  3 .  ? -4.303  -8.391  6.072   0.95 31.75  ?  101 IPH F C6  1 
HETATM 1662 O  O1  . IPH Q  3 .  ? -5.789  -9.904  4.971   0.95 32.23  ?  101 IPH F O1  1 
HETATM 1663 ZN ZN  . ZN  R  4 .  ? 0.046   -0.079  8.384   0.29 23.55  ?  102 ZN  F ZN  1 
HETATM 1664 CL CL  . CL  S  5 .  ? -0.262  0.169   5.889   0.38 22.97  ?  103 CL  F CL  1 
HETATM 1665 C  C1  . MYR T  6 .  ? -16.363 0.439   0.657   1.00 46.11  ?  104 MYR F C1  1 
HETATM 1666 O  O1  . MYR T  6 .  ? -15.998 -0.508  -0.070  1.00 47.57  ?  104 MYR F O1  1 
HETATM 1667 C  C2  . MYR T  6 .  ? -15.730 1.801   0.489   1.00 49.36  ?  104 MYR F C2  1 
HETATM 1668 C  C3  . MYR T  6 .  ? -15.903 2.244   -0.957  1.00 50.87  ?  104 MYR F C3  1 
HETATM 1669 C  C4  . MYR T  6 .  ? -14.566 2.662   -1.555  1.00 48.68  ?  104 MYR F C4  1 
HETATM 1670 C  C5  . MYR T  6 .  ? -14.227 1.837   -2.791  1.00 48.65  ?  104 MYR F C5  1 
HETATM 1671 C  C6  . MYR T  6 .  ? -12.852 2.207   -3.338  1.00 48.48  ?  104 MYR F C6  1 
HETATM 1672 C  C7  . MYR T  6 .  ? -11.942 2.695   -2.218  1.00 49.71  ?  104 MYR F C7  1 
HETATM 1673 C  C8  . MYR T  6 .  ? -10.666 1.876   -2.094  1.00 49.09  ?  104 MYR F C8  1 
HETATM 1674 C  C9  . MYR T  6 .  ? -9.995  2.227   -0.774  1.00 47.13  ?  104 MYR F C9  1 
HETATM 1675 C  C10 . MYR T  6 .  ? -8.557  1.738   -0.718  1.00 48.73  ?  104 MYR F C10 1 
HETATM 1676 C  C11 . MYR T  6 .  ? -7.811  2.477   0.385   1.00 48.23  ?  104 MYR F C11 1 
HETATM 1677 C  C12 . MYR T  6 .  ? -6.356  2.037   0.429   1.00 50.05  ?  104 MYR F C12 1 
HETATM 1678 C  C13 . MYR T  6 .  ? -5.436  3.131   0.952   1.00 49.62  ?  104 MYR F C13 1 
HETATM 1679 C  C14 . MYR T  6 .  ? -4.001  2.625   1.040   1.00 52.00  ?  104 MYR F C14 1 
HETATM 1680 C  C1  . IPH U  3 .  ? -0.555  10.543  26.016  0.71 28.59  ?  101 IPH H C1  1 
HETATM 1681 C  C2  . IPH U  3 .  ? 0.302   9.452   26.109  0.71 29.65  ?  101 IPH H C2  1 
HETATM 1682 C  C3  . IPH U  3 .  ? 0.365   8.528   25.072  0.71 23.90  ?  101 IPH H C3  1 
HETATM 1683 C  C4  . IPH U  3 .  ? -0.429  8.694   23.943  0.71 33.59  ?  101 IPH H C4  1 
HETATM 1684 C  C5  . IPH U  3 .  ? -1.285  9.784   23.852  0.71 29.87  ?  101 IPH H C5  1 
HETATM 1685 C  C6  . IPH U  3 .  ? -1.348  10.709  24.888  0.71 30.99  ?  101 IPH H C6  1 
HETATM 1686 O  O1  . IPH U  3 .  ? -0.617  11.455  27.036  0.71 38.10  ?  101 IPH H O1  1 
HETATM 1687 ZN ZN  . ZN  V  4 .  ? 0.061   0.035   23.729  0.33 23.08  ?  102 ZN  H ZN  1 
HETATM 1688 CL CL  . CL  W  5 .  ? -0.051  0.028   26.053  0.33 25.86  ?  103 CL  H CL  1 
HETATM 1689 C  C1  . MYR X  6 .  ? -11.703 9.140   34.680  0.39 87.66  ?  104 MYR H C1  1 
HETATM 1690 O  O1  . MYR X  6 .  ? -11.100 9.967   33.960  0.39 86.74  ?  104 MYR H O1  1 
HETATM 1691 C  C2  . MYR X  6 .  ? -11.231 7.712   34.756  0.39 83.94  ?  104 MYR H C2  1 
HETATM 1692 C  C3  . MYR X  6 .  ? -12.175 6.909   35.648  0.39 83.73  ?  104 MYR H C3  1 
HETATM 1693 C  C4  . MYR X  6 .  ? -11.844 5.428   35.564  0.39 82.23  ?  104 MYR H C4  1 
HETATM 1694 C  C5  . MYR X  6 .  ? -10.363 5.198   35.845  0.39 73.51  ?  104 MYR H C5  1 
HETATM 1695 C  C6  . MYR X  6 .  ? -9.974  3.747   35.608  0.39 77.52  ?  104 MYR H C6  1 
HETATM 1696 C  C7  . MYR X  6 .  ? -9.675  3.036   36.921  0.39 79.74  ?  104 MYR H C7  1 
HETATM 1697 C  C8  . MYR X  6 .  ? -9.064  1.666   36.651  0.39 80.58  ?  104 MYR H C8  1 
HETATM 1698 C  C9  . MYR X  6 .  ? -7.626  1.778   36.155  0.39 82.17  ?  104 MYR H C9  1 
HETATM 1699 C  C10 . MYR X  6 .  ? -6.677  2.137   37.293  0.39 79.25  ?  104 MYR H C10 1 
HETATM 1700 C  C11 . MYR X  6 .  ? -5.237  1.753   36.977  0.39 79.91  ?  104 MYR H C11 1 
HETATM 1701 C  C12 . MYR X  6 .  ? -4.263  2.685   37.690  0.39 75.51  ?  104 MYR H C12 1 
HETATM 1702 C  C13 . MYR X  6 .  ? -2.817  2.332   37.368  0.39 81.63  ?  104 MYR H C13 1 
HETATM 1703 C  C14 . MYR X  6 .  ? -1.853  3.169   38.200  0.39 72.88  ?  104 MYR H C14 1 
HETATM 1704 O  O   . HOH Y  7 .  ? -4.626  21.168  -29.631 1.00 37.82  ?  101 HOH A O   1 
HETATM 1705 O  O   . HOH Y  7 .  ? -13.037 16.478  -33.687 1.00 313.20 ?  102 HOH A O   1 
HETATM 1706 O  O   . HOH Y  7 .  ? -8.877  18.125  -22.786 1.00 45.55  ?  103 HOH A O   1 
HETATM 1707 O  O   . HOH Y  7 .  ? -14.163 14.973  -35.012 1.00 51.16  ?  104 HOH A O   1 
HETATM 1708 O  O   . HOH Y  7 .  ? -2.202  19.019  -30.980 1.00 37.02  ?  105 HOH A O   1 
HETATM 1709 O  O   . HOH Y  7 .  ? -9.682  13.326  -41.937 1.00 47.98  ?  106 HOH A O   1 
HETATM 1710 O  O   . HOH Y  7 .  ? -7.417  19.087  -25.481 1.00 44.73  ?  107 HOH A O   1 
HETATM 1711 O  O   . HOH Y  7 .  ? -4.203  7.372   -42.819 1.00 51.74  ?  108 HOH A O   1 
HETATM 1712 O  O   . HOH Y  7 .  ? -2.962  17.811  -36.139 1.00 40.69  ?  109 HOH A O   1 
HETATM 1713 O  O   . HOH Y  7 .  ? -8.678  15.300  -38.720 1.00 78.44  ?  110 HOH A O   1 
HETATM 1714 O  O   . HOH Y  7 .  ? -1.652  13.273  -40.626 1.00 42.93  ?  111 HOH A O   1 
HETATM 1715 O  O   . HOH Y  7 .  ? -1.440  15.063  -31.633 1.00 71.98  ?  112 HOH A O   1 
HETATM 1716 O  O   . HOH Y  7 .  ? -19.517 3.196   -40.698 1.00 53.22  ?  113 HOH A O   1 
HETATM 1717 O  O   . HOH Y  7 .  ? -21.578 11.820  -18.506 1.00 30.71  ?  114 HOH A O   1 
HETATM 1718 O  O   . HOH Y  7 .  ? -13.045 24.054  -34.318 1.00 46.65  ?  115 HOH A O   1 
HETATM 1719 O  O   . HOH Z  7 .  ? -23.587 4.589   -36.546 1.00 77.63  ?  201 HOH B O   1 
HETATM 1720 O  O   . HOH Z  7 .  ? -13.556 0.826   -36.264 1.00 43.82  ?  202 HOH B O   1 
HETATM 1721 O  O   . HOH Z  7 .  ? -9.939  16.924  -19.095 1.00 52.20  ?  203 HOH B O   1 
HETATM 1722 O  O   . HOH Z  7 .  ? -12.298 0.090   -33.685 1.00 39.14  ?  204 HOH B O   1 
HETATM 1723 O  O   . HOH Z  7 .  ? -0.411  6.064   -28.803 1.00 29.18  ?  205 HOH B O   1 
HETATM 1724 O  O   . HOH Z  7 .  ? -16.260 8.109   -30.491 1.00 27.36  ?  206 HOH B O   1 
HETATM 1725 O  O   . HOH Z  7 .  ? -20.250 5.541   -34.904 1.00 387.00 ?  207 HOH B O   1 
HETATM 1726 O  O   . HOH Z  7 .  ? -7.241  15.547  -19.090 1.00 59.34  ?  208 HOH B O   1 
HETATM 1727 O  O   . HOH Z  7 .  ? -2.714  7.388   -24.279 1.00 339.38 ?  209 HOH B O   1 
HETATM 1728 O  O   . HOH Z  7 .  ? -8.069  10.046  -17.363 1.00 68.06  ?  210 HOH B O   1 
HETATM 1729 O  O   . HOH Z  7 .  ? -11.437 9.993   -19.724 1.00 129.99 ?  211 HOH B O   1 
HETATM 1730 O  O   . HOH Z  7 .  ? -4.063  6.392   -21.883 1.00 42.20  ?  212 HOH B O   1 
HETATM 1731 O  O   . HOH Z  7 .  ? -10.635 15.952  -15.913 1.00 309.03 ?  213 HOH B O   1 
HETATM 1732 O  O   . HOH Z  7 .  ? -16.531 5.948   -36.071 1.00 45.62  ?  214 HOH B O   1 
HETATM 1733 O  O   . HOH Z  7 .  ? -2.482  7.189   -27.684 1.00 59.43  ?  215 HOH B O   1 
HETATM 1734 O  O   . HOH Z  7 .  ? -4.928  -4.216  -42.071 1.00 60.63  ?  216 HOH B O   1 
HETATM 1735 O  O   . HOH Z  7 .  ? -7.048  -6.382  -42.719 1.00 49.21  ?  217 HOH B O   1 
HETATM 1736 O  O   . HOH Z  7 .  ? -1.764  7.706   -29.657 1.00 27.39  ?  218 HOH B O   1 
HETATM 1737 O  O   . HOH Z  7 .  ? -12.824 -3.010  -37.151 1.00 41.73  ?  219 HOH B O   1 
HETATM 1738 O  O   . HOH Z  7 .  ? -1.785  8.746   -22.716 1.00 54.17  ?  220 HOH B O   1 
HETATM 1739 O  O   . HOH Z  7 .  ? -12.233 -3.760  -34.320 1.00 40.51  ?  221 HOH B O   1 
HETATM 1740 O  O   . HOH Z  7 .  ? -0.256  0.236   -22.898 0.56 65.55  ?  222 HOH B O   1 
HETATM 1741 O  O   . HOH Z  7 .  ? -7.611  14.216  -11.044 1.00 51.21  ?  223 HOH B O   1 
HETATM 1742 O  O   . HOH AA 7 .  ? -18.157 -12.576 -15.150 1.00 314.63 ?  101 HOH C O   1 
HETATM 1743 O  O   . HOH AA 7 .  ? -20.410 -5.946  -13.063 1.00 49.49  ?  102 HOH C O   1 
HETATM 1744 O  O   . HOH AA 7 .  ? -21.381 1.892   -22.455 1.00 36.02  ?  103 HOH C O   1 
HETATM 1745 O  O   . HOH AA 7 .  ? -7.296  -3.481  -6.230  1.00 51.09  ?  104 HOH C O   1 
HETATM 1746 O  O   . HOH AA 7 .  ? -7.586  -6.395  -5.708  1.00 259.95 ?  105 HOH C O   1 
HETATM 1747 O  O   . HOH AA 7 .  ? -16.625 4.148   -12.478 1.00 48.54  ?  106 HOH C O   1 
HETATM 1748 O  O   . HOH AA 7 .  ? -16.788 3.947   -10.000 1.00 70.59  ?  107 HOH C O   1 
HETATM 1749 O  O   . HOH AA 7 .  ? -19.140 3.004   -15.052 1.00 41.07  ?  108 HOH C O   1 
HETATM 1750 O  O   . HOH AA 7 .  ? -21.639 -3.998  -13.939 1.00 41.56  ?  109 HOH C O   1 
HETATM 1751 O  O   . HOH AA 7 .  ? -13.573 -16.128 -20.945 1.00 51.00  ?  110 HOH C O   1 
HETATM 1752 O  O   . HOH AA 7 .  ? -20.335 -13.963 -23.278 1.00 47.36  ?  111 HOH C O   1 
HETATM 1753 O  O   . HOH AA 7 .  ? -10.053 -11.633 -16.622 1.00 48.65  ?  112 HOH C O   1 
HETATM 1754 O  O   . HOH AA 7 .  ? -12.583 -14.336 -18.795 1.00 89.26  ?  113 HOH C O   1 
HETATM 1755 O  O   . HOH AA 7 .  ? -24.397 -1.935  -16.400 1.00 41.95  ?  114 HOH C O   1 
HETATM 1756 O  O   . HOH AA 7 .  ? -18.833 -1.822  -7.167  1.00 51.62  ?  115 HOH C O   1 
HETATM 1757 O  O   . HOH AA 7 .  ? -17.186 -11.075 -23.452 1.00 42.49  ?  116 HOH C O   1 
HETATM 1758 O  O   . HOH AA 7 .  ? -14.382 -3.491  -2.295  1.00 81.77  ?  117 HOH C O   1 
HETATM 1759 O  O   . HOH AA 7 .  ? -26.618 -3.061  -17.449 1.00 61.33  ?  118 HOH C O   1 
HETATM 1760 O  O   . HOH AA 7 .  ? -13.153 -13.943 -10.433 1.00 44.92  ?  119 HOH C O   1 
HETATM 1761 O  O   . HOH BA 7 .  ? -19.998 1.969   -19.512 1.00 35.73  ?  201 HOH D O   1 
HETATM 1762 O  O   . HOH BA 7 .  ? -5.321  2.712   -22.339 1.00 80.43  ?  202 HOH D O   1 
HETATM 1763 O  O   . HOH BA 7 .  ? -14.989 -0.953  -28.711 1.00 209.73 ?  203 HOH D O   1 
HETATM 1764 O  O   . HOH BA 7 .  ? -0.251  0.282   -10.564 0.67 72.96  ?  204 HOH D O   1 
HETATM 1765 O  O   . HOH BA 7 .  ? -8.044  11.572  -6.086  1.00 75.52  ?  205 HOH D O   1 
HETATM 1766 O  O   . HOH BA 7 .  ? -10.154 6.796   -14.467 1.00 40.76  ?  206 HOH D O   1 
HETATM 1767 O  O   . HOH BA 7 .  ? -11.592 7.373   -11.931 1.00 146.47 ?  207 HOH D O   1 
HETATM 1768 O  O   . HOH BA 7 .  ? -17.837 3.054   -17.835 1.00 34.69  ?  208 HOH D O   1 
HETATM 1769 O  O   . HOH BA 7 .  ? -6.708  -4.155  -20.739 1.00 50.34  ?  209 HOH D O   1 
HETATM 1770 O  O   . HOH BA 7 .  ? -8.366  10.223  -14.790 1.00 45.05  ?  210 HOH D O   1 
HETATM 1771 O  O   . HOH BA 7 .  ? -13.918 -1.415  -32.892 1.00 102.90 ?  211 HOH D O   1 
HETATM 1772 O  O   . HOH BA 7 .  ? -21.531 3.431   -18.661 1.00 41.96  ?  212 HOH D O   1 
HETATM 1773 O  O   . HOH BA 7 .  ? -12.203 -3.513  -31.097 1.00 36.05  ?  213 HOH D O   1 
HETATM 1774 O  O   . HOH BA 7 .  ? -2.497  8.244   -19.309 1.00 39.51  ?  214 HOH D O   1 
HETATM 1775 O  O   . HOH BA 7 .  ? -1.747  1.952   -4.536  1.00 199.49 ?  215 HOH D O   1 
HETATM 1776 O  O   . HOH BA 7 .  ? -6.835  13.336  -8.875  1.00 60.14  ?  216 HOH D O   1 
HETATM 1777 O  O   . HOH BA 7 .  ? -2.385  0.715   -20.948 1.00 52.06  ?  217 HOH D O   1 
HETATM 1778 O  O   . HOH BA 7 .  ? -21.660 2.539   -15.506 1.00 78.24  ?  218 HOH D O   1 
HETATM 1779 O  O   . HOH BA 7 .  ? -0.183  0.231   -4.427  0.66 93.20  ?  219 HOH D O   1 
HETATM 1780 O  O   . HOH BA 7 .  ? -14.751 -5.955  -37.319 1.00 41.37  ?  220 HOH D O   1 
HETATM 1781 O  O   . HOH BA 7 .  ? -17.482 13.767  -6.444  1.00 34.12  ?  221 HOH D O   1 
HETATM 1782 O  O   . HOH CA 7 .  ? -17.010 18.852  11.345  1.00 34.45  ?  101 HOH E O   1 
HETATM 1783 O  O   . HOH CA 7 .  ? -17.390 16.759  14.368  1.00 34.69  ?  102 HOH E O   1 
HETATM 1784 O  O   . HOH CA 7 .  ? -19.504 6.304   19.357  1.00 324.66 ?  103 HOH E O   1 
HETATM 1785 O  O   . HOH CA 7 .  ? -20.346 14.666  14.768  1.00 43.33  ?  104 HOH E O   1 
HETATM 1786 O  O   . HOH CA 7 .  ? -15.904 5.499   2.164   1.00 192.79 ?  105 HOH E O   1 
HETATM 1787 O  O   . HOH CA 7 .  ? -21.744 16.078  17.550  1.00 38.04  ?  106 HOH E O   1 
HETATM 1788 O  O   . HOH CA 7 .  ? -17.388 10.923  4.575   1.00 37.09  ?  107 HOH E O   1 
HETATM 1789 O  O   . HOH CA 7 .  ? -15.605 14.806  3.527   1.00 48.52  ?  108 HOH E O   1 
HETATM 1790 O  O   . HOH CA 7 .  ? -14.023 17.193  4.407   0.09 44.48  ?  109 HOH E O   1 
HETATM 1791 O  O   . HOH CA 7 .  ? -18.952 17.658  10.773  1.00 39.94  ?  110 HOH E O   1 
HETATM 1792 O  O   . HOH CA 7 .  ? -2.339  23.265  7.513   1.00 143.84 ?  111 HOH E O   1 
HETATM 1793 O  O   . HOH DA 7 .  ? -19.669 5.509   11.352  1.00 103.40 ?  201 HOH F O   1 
HETATM 1794 O  O   . HOH DA 7 .  ? -3.922  -2.772  12.572  1.00 201.76 ?  202 HOH F O   1 
HETATM 1795 O  O   . HOH DA 7 .  ? -10.938 10.051  20.210  1.00 199.54 ?  203 HOH F O   1 
HETATM 1796 O  O   . HOH DA 7 .  ? -12.371 -6.517  -0.345  1.00 139.74 ?  204 HOH F O   1 
HETATM 1797 O  O   . HOH DA 7 .  ? -11.296 1.347   5.381   1.00 240.85 ?  205 HOH F O   1 
HETATM 1798 O  O   . HOH DA 7 .  ? -16.622 19.561  19.315  1.00 48.12  ?  206 HOH F O   1 
HETATM 1799 O  O   . HOH DA 7 .  ? -15.733 7.958   9.767   1.00 242.31 ?  207 HOH F O   1 
HETATM 1800 O  O   . HOH DA 7 .  ? -12.217 -5.536  8.977   1.00 31.19  ?  208 HOH F O   1 
HETATM 1801 O  O   . HOH DA 7 .  ? -6.861  -6.014  -3.183  1.00 102.50 ?  209 HOH F O   1 
HETATM 1802 O  O   . HOH DA 7 .  ? -6.428  -3.971  10.498  1.00 238.86 ?  210 HOH F O   1 
HETATM 1803 O  O   . HOH DA 7 .  ? -10.211 8.035   24.632  1.00 99.45  ?  211 HOH F O   1 
HETATM 1804 O  O   . HOH DA 7 .  ? -1.974  6.811   11.740  1.00 53.40  ?  212 HOH F O   1 
HETATM 1805 O  O   . HOH DA 7 .  ? -4.558  -5.747  -2.635  1.00 68.73  ?  213 HOH F O   1 
HETATM 1806 O  O   . HOH DA 7 .  ? -13.175 -1.338  5.637   1.00 178.74 ?  214 HOH F O   1 
HETATM 1807 O  O   . HOH DA 7 .  ? -13.181 -7.302  7.692   1.00 35.87  ?  215 HOH F O   1 
HETATM 1808 O  O   . HOH DA 7 .  ? -18.568 20.005  15.260  1.00 45.60  ?  216 HOH F O   1 
HETATM 1809 O  O   . HOH DA 7 .  ? -16.227 16.810  24.780  1.00 45.76  ?  217 HOH F O   1 
HETATM 1810 O  O   . HOH EA 7 .  ? -7.036  -3.464  33.293  1.00 54.46  ?  101 HOH G O   1 
HETATM 1811 O  O   . HOH EA 7 .  ? -13.308 -12.170 27.946  1.00 41.42  ?  102 HOH G O   1 
HETATM 1812 O  O   . HOH EA 7 .  ? -24.621 -2.102  17.431  1.00 267.18 ?  103 HOH G O   1 
HETATM 1813 O  O   . HOH EA 7 .  ? -20.062 0.503   32.362  1.00 57.63  ?  104 HOH G O   1 
HETATM 1814 O  O   . HOH EA 7 .  ? -23.169 -9.924  15.963  1.00 60.83  ?  105 HOH G O   1 
HETATM 1815 O  O   . HOH EA 7 .  ? -20.757 2.901   30.910  1.00 85.57  ?  106 HOH G O   1 
HETATM 1816 O  O   . HOH EA 7 .  ? -20.849 -4.976  29.122  1.00 95.25  ?  107 HOH G O   1 
HETATM 1817 O  O   . HOH EA 7 .  ? -8.218  -7.749  33.299  1.00 46.32  ?  108 HOH G O   1 
HETATM 1818 O  O   . HOH EA 7 .  ? -7.812  -5.328  34.284  1.00 50.07  ?  109 HOH G O   1 
HETATM 1819 O  O   . HOH EA 7 .  ? -24.122 -6.136  19.200  1.00 109.19 ?  110 HOH G O   1 
HETATM 1820 O  O   . HOH EA 7 .  ? -10.743 -10.312 22.014  1.00 193.67 ?  111 HOH G O   1 
HETATM 1821 O  O   . HOH EA 7 .  ? -15.151 -9.375  29.114  1.00 253.36 ?  112 HOH G O   1 
HETATM 1822 O  O   . HOH EA 7 .  ? -14.325 -11.009 30.611  1.00 52.23  ?  113 HOH G O   1 
HETATM 1823 O  O   . HOH EA 7 .  ? -23.049 -8.683  18.956  1.00 461.13 ?  114 HOH G O   1 
HETATM 1824 O  O   . HOH EA 7 .  ? -17.715 -3.510  33.468  1.00 49.48  ?  115 HOH G O   1 
HETATM 1825 O  O   . HOH EA 7 .  ? -9.948  -12.873 25.330  1.00 147.10 ?  116 HOH G O   1 
HETATM 1826 O  O   . HOH EA 7 .  ? -22.115 -3.976  25.770  1.00 42.23  ?  117 HOH G O   1 
HETATM 1827 O  O   . HOH EA 7 .  ? -9.868  -7.792  22.377  1.00 42.09  ?  118 HOH G O   1 
HETATM 1828 O  O   . HOH EA 7 .  ? -14.811 -15.421 17.941  1.00 181.30 ?  119 HOH G O   1 
HETATM 1829 O  O   . HOH EA 7 .  ? -17.291 -11.096 15.778  1.00 62.45  ?  120 HOH G O   1 
HETATM 1830 O  O   . HOH EA 7 .  ? -21.443 3.301   27.720  1.00 128.98 ?  121 HOH G O   1 
HETATM 1831 O  O   . HOH EA 7 .  ? -19.762 -4.958  32.101  1.00 58.14  ?  122 HOH G O   1 
HETATM 1832 O  O   . HOH FA 7 .  ? -18.102 -9.101  14.980  1.00 350.26 ?  201 HOH H O   1 
HETATM 1833 O  O   . HOH FA 7 .  ? -8.941  10.767  34.216  1.00 66.47  ?  202 HOH H O   1 
HETATM 1834 O  O   . HOH FA 7 .  ? -0.666  3.255   35.098  1.00 386.08 ?  203 HOH H O   1 
HETATM 1835 O  O   . HOH FA 7 .  ? -19.458 4.221   26.493  1.00 66.42  ?  204 HOH H O   1 
HETATM 1836 O  O   . HOH FA 7 .  ? -7.134  12.255  31.736  1.00 87.70  ?  205 HOH H O   1 
HETATM 1837 O  O   . HOH FA 7 .  ? -22.742 -6.616  15.165  1.00 54.03  ?  206 HOH H O   1 
HETATM 1838 O  O   . HOH FA 7 .  ? -20.381 3.762   13.924  1.00 44.78  ?  207 HOH H O   1 
HETATM 1839 O  O   . HOH FA 7 .  ? -17.647 4.569   28.137  1.00 97.75  ?  208 HOH H O   1 
HETATM 1840 O  O   . HOH FA 7 .  ? -1.604  -2.596  17.209  1.00 178.90 ?  209 HOH H O   1 
HETATM 1841 O  O   . HOH FA 7 .  ? -20.549 4.238   21.314  1.00 198.83 ?  210 HOH H O   1 
HETATM 1842 O  O   . HOH FA 7 .  ? -4.981  12.585  34.649  1.00 44.77  ?  211 HOH H O   1 
HETATM 1843 O  O   . HOH FA 7 .  ? -3.931  -2.068  19.121  1.00 168.90 ?  212 HOH H O   1 
HETATM 1844 O  O   . HOH FA 7 .  ? -23.005 -10.279 12.996  1.00 45.29  ?  213 HOH H O   1 
HETATM 1845 O  O   . HOH FA 7 .  ? -5.111  -5.751  15.219  1.00 216.79 ?  214 HOH H O   1 
HETATM 1846 O  O   . HOH FA 7 .  ? -22.361 5.783   25.195  1.00 151.76 ?  215 HOH H O   1 
HETATM 1847 O  O   . HOH FA 7 .  ? -3.311  0.476   34.702  1.00 185.04 ?  216 HOH H O   1 
HETATM 1848 O  O   . HOH FA 7 .  ? -0.258  0.473   35.192  0.47 122.94 ?  217 HOH H O   1 
HETATM 1849 O  O   . HOH FA 7 .  ? -0.932  6.089   33.379  1.00 148.34 ?  218 HOH H O   1 
HETATM 1850 O  O   . HOH FA 7 .  ? -15.454 -0.969  11.587  1.00 370.56 ?  219 HOH H O   1 
HETATM 1851 O  O   . HOH FA 7 .  ? -2.492  0.805   18.995  1.00 47.26  ?  220 HOH H O   1 
HETATM 1852 O  O   . HOH FA 7 .  ? -9.020  9.863   23.934  1.00 43.30  ?  221 HOH H O   1 
HETATM 1853 O  O   . HOH FA 7 .  ? -18.371 4.763   30.440  1.00 124.80 ?  222 HOH H O   1 
HETATM 1854 O  O   . HOH FA 7 .  ? -16.121 -10.092 9.629   1.00 55.83  ?  223 HOH H O   1 
HETATM 1855 O  O   . HOH FA 7 .  ? -21.742 -9.430  7.342   1.00 172.60 ?  224 HOH H O   1 
HETATM 1856 O  O   . HOH FA 7 .  ? -23.890 1.064   24.322  1.00 74.04  ?  225 HOH H 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  ? 0.5992 0.5559 0.7538 0.1737  0.2018  0.1563  1  GLY A N   
2    C CA  . GLY A 1  ? 0.5780 0.5318 0.7397 0.1650  0.2024  0.1560  1  GLY A CA  
3    C C   . GLY A 1  ? 0.4807 0.4319 0.6452 0.1618  0.2076  0.1617  1  GLY A C   
4    O O   . GLY A 1  ? 0.4945 0.4448 0.6577 0.1650  0.2129  0.1681  1  GLY A O   
5    N N   . ILE A 2  ? 0.4483 0.3993 0.6176 0.1570  0.2067  0.1599  2  ILE A N   
6    C CA  . ILE A 2  ? 0.4110 0.3611 0.5859 0.1550  0.2099  0.1624  2  ILE A CA  
7    C C   . ILE A 2  ? 0.4188 0.3695 0.5901 0.1565  0.2123  0.1654  2  ILE A C   
8    O O   . ILE A 2  ? 0.4685 0.4187 0.6448 0.1565  0.2170  0.1697  2  ILE A O   
9    C CB  . ILE A 2  ? 0.3791 0.3315 0.5582 0.1533  0.2064  0.1578  2  ILE A CB  
10   C CG1 . ILE A 2  ? 0.3804 0.3338 0.5695 0.1530  0.2077  0.1567  2  ILE A CG1 
11   C CG2 . ILE A 2  ? 0.3767 0.3307 0.5504 0.1533  0.2052  0.1576  2  ILE A CG2 
12   C CD1 . ILE A 2  ? 0.3787 0.3378 0.5705 0.1554  0.2025  0.1500  2  ILE A CD1 
13   N N   . VAL A 3  ? 0.4798 0.4318 0.6456 0.1583  0.2092  0.1624  3  VAL A N   
14   C CA  . VAL A 3  ? 0.5322 0.4855 0.6949 0.1611  0.2098  0.1630  3  VAL A CA  
15   C C   . VAL A 3  ? 0.5695 0.5248 0.7270 0.1675  0.2135  0.1683  3  VAL A C   
16   O O   . VAL A 3  ? 0.5894 0.5458 0.7462 0.1696  0.2176  0.1732  3  VAL A O   
17   C CB  . VAL A 3  ? 0.4790 0.4331 0.6426 0.1624  0.2051  0.1561  3  VAL A CB  
18   C CG1 . VAL A 3  ? 0.5145 0.4701 0.6769 0.1655  0.2047  0.1548  3  VAL A CG1 
19   C CG2 . VAL A 3  ? 0.4699 0.4220 0.6390 0.1575  0.2050  0.1554  3  VAL A CG2 
20   N N   . GLU A 4  ? 0.4314 0.3880 0.5844 0.1725  0.2127  0.1683  4  GLU A N   
21   C CA  . GLU A 4  ? 0.5165 0.4766 0.6616 0.1819  0.2176  0.1759  4  GLU A CA  
22   C C   . GLU A 4  ? 0.5136 0.4697 0.6650 0.1797  0.2287  0.1885  4  GLU A C   
23   O O   . GLU A 4  ? 0.5237 0.4821 0.6709 0.1875  0.2371  0.1997  4  GLU A O   
24   C CB  . GLU A 4  ? 0.4968 0.4617 0.6345 0.1907  0.2129  0.1715  4  GLU A CB  
25   C CG  . GLU A 4  ? 0.5363 0.5070 0.6760 0.1939  0.2020  0.1561  4  GLU A CG  
26   C CD  . GLU A 4  ? 0.5284 0.4946 0.6784 0.1848  0.1979  0.1490  4  GLU A CD  
27   O OE1 . GLU A 4  ? 0.4925 0.4534 0.6441 0.1782  0.2014  0.1546  4  GLU A OE1 
28   O OE2 . GLU A 4  ? 0.5502 0.5193 0.7088 0.1852  0.1917  0.1379  4  GLU A OE2 
29   N N   . GLN A 5  ? 0.4588 0.4100 0.6227 0.1707  0.2293  0.1868  5  GLN A N   
30   C CA  . GLN A 5  ? 0.4989 0.4463 0.6775 0.1683  0.2389  0.1950  5  GLN A CA  
31   C C   . GLN A 5  ? 0.5032 0.4493 0.6975 0.1628  0.2425  0.1957  5  GLN A C   
32   O O   . GLN A 5  ? 0.5068 0.4518 0.7121 0.1643  0.2536  0.2064  5  GLN A O   
33   C CB  . GLN A 5  ? 0.4913 0.4355 0.6770 0.1645  0.2353  0.1893  5  GLN A CB  
34   C CG  . GLN A 5  ? 0.5497 0.4893 0.7590 0.1601  0.2416  0.1915  5  GLN A CG  
35   C CD  . GLN A 5  ? 0.6173 0.5540 0.8349 0.1646  0.2550  0.2051  5  GLN A CD  
36   O OE1 . GLN A 5  ? 0.5974 0.5368 0.8046 0.1717  0.2633  0.2170  5  GLN A OE1 
37   N NE2 . GLN A 5  ? 0.6542 0.5859 0.8910 0.1620  0.2575  0.2038  5  GLN A NE2 
38   N N   . CYS A 6  ? 0.5272 0.4741 0.7236 0.1578  0.2340  0.1851  6  CYS A N   
39   C CA  . CYS A 6  ? 0.5075 0.4549 0.7196 0.1544  0.2347  0.1823  6  CYS A CA  
40   C C   . CYS A 6  ? 0.5240 0.4749 0.7283 0.1562  0.2335  0.1825  6  CYS A C   
41   O O   . CYS A 6  ? 0.5276 0.4808 0.7427 0.1547  0.2323  0.1783  6  CYS A O   
42   C CB  . CYS A 6  ? 0.4840 0.4330 0.7026 0.1518  0.2258  0.1701  6  CYS A CB  
43   S SG  . CYS A 6  ? 0.4604 0.4056 0.6945 0.1506  0.2266  0.1674  6  CYS A SG  
44   N N   . CYS A 7  ? 0.8300 0.8498 0.7793 0.1338  0.0807  0.0471  7  CYS A N   
45   C CA  . CYS A 7  ? 0.7019 0.6847 0.6191 0.1406  0.0967  0.0476  7  CYS A CA  
46   C C   . CYS A 7  ? 0.6740 0.6287 0.5559 0.1504  0.1066  0.0514  7  CYS A C   
47   O O   . CYS A 7  ? 0.6885 0.6232 0.5591 0.1629  0.1256  0.0561  7  CYS A O   
48   C CB  . CYS A 7  ? 0.6672 0.6265 0.5540 0.1277  0.0899  0.0381  7  CYS A CB  
49   S SG  . CYS A 7  ? 0.6291 0.6072 0.5479 0.1194  0.0873  0.0350  7  CYS A SG  
50   N N   . THR A 8  ? 0.6909 0.6441 0.5554 0.1454  0.0943  0.0500  8  THR A N   
51   C CA  . THR A 8  ? 0.7456 0.6740 0.5782 0.1543  0.1035  0.0546  8  THR A CA  
52   C C   . THR A 8  ? 0.7231 0.6730 0.5874 0.1669  0.1141  0.0652  8  THR A C   
53   O O   . THR A 8  ? 0.6719 0.6025 0.5176 0.1779  0.1310  0.0712  8  THR A O   
54   C CB  . THR A 8  ? 0.7742 0.6947 0.5792 0.1440  0.0850  0.0507  8  THR A CB  
55   O OG1 . THR A 8  ? 0.7322 0.6910 0.5749 0.1422  0.0707  0.0536  8  THR A OG1 
56   C CG2 . THR A 8  ? 0.8248 0.7320 0.6061 0.1280  0.0709  0.0410  8  THR A CG2 
57   N N   . SER A 9  ? 0.5787 0.5673 0.4888 0.1650  0.1049  0.0679  9  SER A N   
58   C CA  . SER A 9  ? 0.5932 0.6029 0.5349 0.1746  0.1128  0.0783  9  SER A CA  
59   C C   . SER A 9  ? 0.5868 0.6271 0.5751 0.1734  0.1122  0.0801  9  SER A C   
60   O O   . SER A 9  ? 0.6106 0.6646 0.6123 0.1637  0.0997  0.0728  9  SER A O   
61   C CB  . SER A 9  ? 0.5965 0.6177 0.5406 0.1733  0.0995  0.0809  9  SER A CB  
62   O OG  . SER A 9  ? 0.5468 0.5862 0.5194 0.1810  0.1061  0.0911  9  SER A OG  
63   N N   . ILE A 10 ? 0.5057 0.5566 0.5181 0.1825  0.1255  0.0903  10 ILE A N   
64   C CA  . ILE A 10 ? 0.4983 0.5754 0.5527 0.1809  0.1250  0.0933  10 ILE A CA  
65   C C   . ILE A 10 ? 0.5015 0.6057 0.5822 0.1749  0.1085  0.0923  10 ILE A C   
66   O O   . ILE A 10 ? 0.4665 0.5753 0.5478 0.1781  0.1049  0.0972  10 ILE A O   
67   C CB  . ILE A 10 ? 0.4630 0.5449 0.5358 0.1913  0.1427  0.1060  10 ILE A CB  
68   C CG1 . ILE A 10 ? 0.4705 0.5289 0.5237 0.1986  0.1595  0.1062  10 ILE A CG1 
69   C CG2 . ILE A 10 ? 0.4154 0.5257 0.5320 0.1880  0.1387  0.1110  10 ILE A CG2 
70   C CD1 . ILE A 10 ? 0.4693 0.5368 0.5457 0.2093  0.1771  0.1193  10 ILE A CD1 
71   N N   . CYS A 11 ? 0.4450 0.5654 0.5457 0.1664  0.0989  0.0859  11 CYS A N   
72   C CA  . CYS A 11 ? 0.3504 0.4962 0.4763 0.1615  0.0846  0.0837  11 CYS A CA  
73   C C   . CYS A 11 ? 0.4061 0.5701 0.5668 0.1633  0.0886  0.0916  11 CYS A C   
74   O O   . CYS A 11 ? 0.3240 0.4874 0.4958 0.1632  0.0975  0.0948  11 CYS A O   
75   C CB  . CYS A 11 ? 0.4202 0.5750 0.5478 0.1503  0.0723  0.0721  11 CYS A CB  
76   S SG  . CYS A 11 ? 0.4415 0.5865 0.5372 0.1446  0.0587  0.0634  11 CYS A SG  
77   N N   . SER A 12 ? 0.4065 0.5847 0.5827 0.1648  0.0812  0.0950  12 SER A N   
78   C CA  . SER A 12 ? 0.3613 0.5555 0.5679 0.1639  0.0815  0.1011  12 SER A CA  
79   C C   . SER A 12 ? 0.4011 0.6100 0.6252 0.1550  0.0737  0.0925  12 SER A C   
80   O O   . SER A 12 ? 0.2765 0.4875 0.4919 0.1495  0.0663  0.0819  12 SER A O   
81   C CB  . SER A 12 ? 0.3170 0.5172 0.5297 0.1680  0.0752  0.1067  12 SER A CB  
82   O OG  . SER A 12 ? 0.3730 0.5760 0.5993 0.1569  0.0689  0.1053  12 SER A OG  
83   N N   . LEU A 13 ? 0.5344 0.3278 0.6481 -0.0385 0.1898  -0.0830 13 LEU A N   
84   C CA  . LEU A 13 ? 0.4555 0.2604 0.5816 -0.0330 0.1880  -0.0839 13 LEU A CA  
85   C C   . LEU A 13 ? 0.4958 0.2859 0.6326 -0.0223 0.1972  -0.0693 13 LEU A C   
86   O O   . LEU A 13 ? 0.4881 0.2838 0.6376 -0.0142 0.1953  -0.0624 13 LEU A O   
87   C CB  . LEU A 13 ? 0.4801 0.3005 0.6083 -0.0401 0.1926  -0.0996 13 LEU A CB  
88   C CG  . LEU A 13 ? 0.4745 0.3146 0.6012 -0.0492 0.1846  -0.1115 13 LEU A CG  
89   C CD1 . LEU A 13 ? 0.4533 0.3010 0.5810 -0.0455 0.1695  -0.1084 13 LEU A CD1 
90   C CD2 . LEU A 13 ? 0.5522 0.3874 0.6725 -0.0571 0.1916  -0.1158 13 LEU A CD2 
91   N N   . TYR A 14 ? 0.5512 0.3232 0.6871 -0.0210 0.2084  -0.0627 14 TYR A N   
92   C CA  . TYR A 14 ? 0.5485 0.3067 0.6991 -0.0083 0.2175  -0.0446 14 TYR A CA  
93   C C   . TYR A 14 ? 0.5066 0.2609 0.6641 -0.0026 0.2064  -0.0199 14 TYR A C   
94   O O   . TYR A 14 ? 0.5367 0.2943 0.7137 0.0095  0.2082  -0.0019 14 TYR A O   
95   C CB  . TYR A 14 ? 0.6040 0.3425 0.7538 -0.0090 0.2296  -0.0410 14 TYR A CB  
96   C CG  . TYR A 14 ? 0.6803 0.4067 0.8493 0.0057  0.2413  -0.0241 14 TYR A CG  
97   C CD1 . TYR A 14 ? 0.7237 0.4508 0.8993 0.0121  0.2531  -0.0341 14 TYR A CD1 
98   C CD2 . TYR A 14 ? 0.7005 0.4162 0.8801 0.0127  0.2393  0.0036  14 TYR A CD2 
99   C CE1 . TYR A 14 ? 0.7690 0.4855 0.9633 0.0279  0.2657  -0.0191 14 TYR A CE1 
100  C CE2 . TYR A 14 ? 0.7362 0.4459 0.9388 0.0282  0.2499  0.0223  14 TYR A CE2 
101  C CZ  . TYR A 14 ? 0.7791 0.4885 0.9899 0.0371  0.2647  0.0098  14 TYR A CZ  
102  O OH  . TYR A 14 ? 0.7718 0.4754 1.0062 0.0543  0.2770  0.0277  14 TYR A OH  
103  N N   . GLN A 15 ? 0.6040 0.3523 0.7450 -0.0125 0.1940  -0.0161 15 GLN A N   
104  C CA  . GLN A 15 ? 0.5964 0.3421 0.7371 -0.0139 0.1778  0.0097  15 GLN A CA  
105  C C   . GLN A 15 ? 0.5574 0.3283 0.7021 -0.0127 0.1609  0.0093  15 GLN A C   
106  O O   . GLN A 15 ? 0.4817 0.2678 0.6335 -0.0102 0.1450  0.0353  15 GLN A O   
107  C CB  . GLN A 15 ? 0.6023 0.3352 0.7165 -0.0274 0.1691  0.0102  15 GLN A CB  
108  C CG  . GLN A 15 ? 0.6364 0.3567 0.7477 -0.0293 0.1721  0.0335  15 GLN A CG  
109  C CD  . GLN A 15 ? 0.6514 0.3573 0.7344 -0.0438 0.1725  0.0264  15 GLN A CD  
110  O OE1 . GLN A 15 ? 0.6177 0.3234 0.6862 -0.0496 0.1751  0.0003  15 GLN A OE1 
111  N NE2 . GLN A 15 ? 0.6590 0.3564 0.7349 -0.0494 0.1702  0.0512  15 GLN A NE2 
112  N N   . LEU A 16 ? 0.5662 0.3450 0.7081 -0.0158 0.1622  -0.0170 16 LEU A N   
113  C CA  . LEU A 16 ? 0.5815 0.3865 0.7302 -0.0149 0.1459  -0.0155 16 LEU A CA  
114  C C   . LEU A 16 ? 0.5842 0.4098 0.7556 -0.0031 0.1525  -0.0034 16 LEU A C   
115  O O   . LEU A 16 ? 0.5171 0.3684 0.6978 -0.0017 0.1364  0.0119  16 LEU A O   
116  C CB  . LEU A 16 ? 0.5323 0.3433 0.6761 -0.0212 0.1459  -0.0437 16 LEU A CB  
117  C CG  . LEU A 16 ? 0.4960 0.2933 0.6206 -0.0302 0.1391  -0.0562 16 LEU A CG  
118  C CD1 . LEU A 16 ? 0.3968 0.2144 0.5235 -0.0331 0.1351  -0.0764 16 LEU A CD1 
119  C CD2 . LEU A 16 ? 0.4791 0.2721 0.5905 -0.0335 0.1165  -0.0386 16 LEU A CD2 
120  N N   . GLU A 17 ? 0.5185 0.3326 0.6988 0.0055  0.1766  -0.0098 17 GLU A N   
121  C CA  . GLU A 17 ? 0.4884 0.3203 0.6888 0.0196  0.1877  -0.0007 17 GLU A CA  
122  C C   . GLU A 17 ? 0.4831 0.3306 0.7008 0.0285  0.1779  0.0373  17 GLU A C   
123  O O   . GLU A 17 ? 0.4780 0.3525 0.7148 0.0398  0.1813  0.0503  17 GLU A O   
124  C CB  . GLU A 17 ? 0.5507 0.3576 0.7542 0.0275  0.2169  -0.0174 17 GLU A CB  
125  C CG  . GLU A 17 ? 0.5564 0.3668 0.7438 0.0168  0.2225  -0.0499 17 GLU A CG  
126  C CD  . GLU A 17 ? 0.6461 0.4479 0.8286 0.0197  0.2386  -0.0588 17 GLU A CD  
127  O OE1 . GLU A 17 ? 0.6931 0.4808 0.8872 0.0320  0.2497  -0.0432 17 GLU A OE1 
128  O OE2 . GLU A 17 ? 0.7218 0.5292 0.8898 0.0096  0.2393  -0.0802 17 GLU A OE2 
129  N N   . ASN A 18 ? 0.4927 0.3271 0.7041 0.0227  0.1656  0.0567  18 ASN A N   
130  C CA  . ASN A 18 ? 0.5015 0.3531 0.7298 0.0280  0.1534  0.0965  18 ASN A CA  
131  C C   . ASN A 18 ? 0.4160 0.3018 0.6487 0.0225  0.1279  0.1132  18 ASN A C   
132  O O   . ASN A 18 ? 0.3682 0.2776 0.6208 0.0273  0.1180  0.1483  18 ASN A O   
133  C CB  . ASN A 18 ? 0.5248 0.3551 0.7393 0.0181  0.1434  0.1127  18 ASN A CB  
134  C CG  . ASN A 18 ? 0.5629 0.3622 0.7789 0.0234  0.1670  0.1054  18 ASN A CG  
135  O OD1 . ASN A 18 ? 0.5226 0.3156 0.7568 0.0381  0.1907  0.0972  18 ASN A OD1 
136  N ND2 . ASN A 18 ? 0.6077 0.3862 0.8031 0.0106  0.1608  0.1083  18 ASN A ND2 
137  N N   . TYR A 19 ? 0.3956 0.2858 0.6135 0.0123  0.1163  0.0917  19 TYR A N   
138  C CA  . TYR A 19 ? 0.3841 0.3023 0.6058 0.0049  0.0898  0.1074  19 TYR A CA  
139  C C   . TYR A 19 ? 0.3562 0.3049 0.5921 0.0105  0.0957  0.0979  19 TYR A C   
140  O O   . TYR A 19 ? 0.3239 0.2951 0.5624 0.0024  0.0736  0.1070  19 TYR A O   
141  C CB  . TYR A 19 ? 0.3796 0.2781 0.5738 -0.0122 0.0672  0.0955  19 TYR A CB  
142  C CG  . TYR A 19 ? 0.4062 0.2793 0.5810 -0.0207 0.0583  0.1073  19 TYR A CG  
143  C CD1 . TYR A 19 ? 0.3934 0.2766 0.5692 -0.0284 0.0345  0.1417  19 TYR A CD1 
144  C CD2 . TYR A 19 ? 0.4810 0.3228 0.6357 -0.0230 0.0728  0.0860  19 TYR A CD2 
145  C CE1 . TYR A 19 ? 0.4167 0.2784 0.5707 -0.0390 0.0251  0.1533  19 TYR A CE1 
146  C CE2 . TYR A 19 ? 0.4903 0.3122 0.6243 -0.0323 0.0650  0.0977  19 TYR A CE2 
147  C CZ  . TYR A 19 ? 0.4253 0.2566 0.5574 -0.0406 0.0410  0.1308  19 TYR A CZ  
148  O OH  . TYR A 19 ? 0.4993 0.3124 0.6069 -0.0526 0.0319  0.1430  19 TYR A OH  
149  N N   . CYS A 20 ? 0.3222 0.2709 0.5653 0.0227  0.1242  0.0802  20 CYS A N   
150  C CA  . CYS A 20 ? 0.3318 0.3135 0.5862 0.0280  0.1315  0.0741  20 CYS A CA  
151  C C   . CYS A 20 ? 0.3220 0.3400 0.6038 0.0411  0.1339  0.1080  20 CYS A C   
152  O O   . CYS A 20 ? 0.3629 0.3763 0.6583 0.0502  0.1381  0.1318  20 CYS A O   
153  C CB  . CYS A 20 ? 0.3946 0.3604 0.6409 0.0338  0.1611  0.0398  20 CYS A CB  
154  S SG  . CYS A 20 ? 0.3739 0.3042 0.5938 0.0185  0.1613  0.0024  20 CYS A SG  
155  N N   . ASN A 21 ? 0.3170 0.3752 0.6088 0.0418  0.1311  0.1125  21 ASN A N   
156  C CA  . ASN A 21 ? 0.3110 0.4123 0.6311 0.0549  0.1355  0.1450  21 ASN A CA  
157  C C   . ASN A 21 ? 0.3582 0.4555 0.6888 0.0778  0.1741  0.1353  21 ASN A C   
158  O O   . ASN A 21 ? 0.4244 0.5471 0.7823 0.0945  0.1842  0.1638  21 ASN A O   
159  C CB  . ASN A 21 ? 0.2934 0.4421 0.6201 0.0473  0.1215  0.1533  21 ASN A CB  
160  C CG  . ASN A 21 ? 0.2707 0.4249 0.5942 0.0267  0.0814  0.1713  21 ASN A CG  
161  O OD1 . ASN A 21 ? 0.3063 0.4336 0.6230 0.0190  0.0639  0.1817  21 ASN A OD1 
162  N ND2 . ASN A 21 ? 0.2559 0.4438 0.5828 0.0169  0.0664  0.1753  21 ASN A ND2 
163  O OXT . ASN A 21 ? 0.4189 0.4869 0.7318 0.0804  0.1962  0.0991  21 ASN A OXT 
164  N N   . PHE B 1  ? 0.7752 0.7793 0.5968 -0.0908 0.0932  -0.0238 1  PHE B N   
165  C CA  . PHE B 1  ? 0.7678 0.7589 0.5704 -0.0712 0.1078  -0.0016 1  PHE B CA  
166  C C   . PHE B 1  ? 0.7203 0.6863 0.5503 -0.0668 0.1273  0.0112  1  PHE B C   
167  O O   . PHE B 1  ? 0.6732 0.6492 0.5405 -0.0678 0.1234  0.0209  1  PHE B O   
168  C CB  . PHE B 1  ? 0.7716 0.7961 0.5778 -0.0571 0.0933  0.0230  1  PHE B CB  
169  C CG  . PHE B 1  ? 0.8545 0.8745 0.6204 -0.0410 0.1017  0.0374  1  PHE B CG  
170  C CD1 . PHE B 1  ? 0.9219 0.9189 0.6896 -0.0288 0.1243  0.0548  1  PHE B CD1 
171  C CD2 . PHE B 1  ? 0.9327 0.9730 0.6594 -0.0378 0.0869  0.0347  1  PHE B CD2 
172  C CE1 . PHE B 1  ? 1.0859 1.0807 0.8206 -0.0138 0.1354  0.0701  1  PHE B CE1 
173  C CE2 . PHE B 1  ? 1.0493 1.0854 0.7353 -0.0220 0.0978  0.0497  1  PHE B CE2 
174  C CZ  . PHE B 1  ? 1.2111 1.2246 0.9029 -0.0100 0.1238  0.0679  1  PHE B CZ  
175  N N   . VAL B 2  ? 0.6874 0.6211 0.4977 -0.0610 0.1481  0.0110  2  VAL B N   
176  C CA  . VAL B 2  ? 0.6460 0.5560 0.4809 -0.0568 0.1642  0.0232  2  VAL B CA  
177  C C   . VAL B 2  ? 0.5405 0.4638 0.3965 -0.0420 0.1622  0.0526  2  VAL B C   
178  O O   . VAL B 2  ? 0.5605 0.4808 0.4472 -0.0420 0.1617  0.0622  2  VAL B O   
179  C CB  . VAL B 2  ? 0.6463 0.5199 0.4593 -0.0533 0.1865  0.0161  2  VAL B CB  
180  C CG1 . VAL B 2  ? 0.6305 0.4811 0.4710 -0.0499 0.1999  0.0290  2  VAL B CG1 
181  C CG2 . VAL B 2  ? 0.7089 0.5659 0.4994 -0.0684 0.1874  -0.0155 2  VAL B CG2 
182  N N   . ASN B 3  ? 0.6521 0.5889 0.4910 -0.0294 0.1611  0.0673  3  ASN B N   
183  C CA  . ASN B 3  ? 0.6216 0.5692 0.4846 -0.0165 0.1593  0.0961  3  ASN B CA  
184  C C   . ASN B 3  ? 0.5468 0.5181 0.4395 -0.0191 0.1402  0.1014  3  ASN B C   
185  O O   . ASN B 3  ? 0.5508 0.5207 0.4735 -0.0135 0.1386  0.1176  3  ASN B O   
186  C CB  . ASN B 3  ? 0.7199 0.6779 0.5586 -0.0030 0.1641  0.1125  3  ASN B CB  
187  C CG  . ASN B 3  ? 0.7313 0.6905 0.6047 0.0081  0.1608  0.1328  3  ASN B CG  
188  O OD1 . ASN B 3  ? 0.6274 0.5895 0.5385 0.0077  0.1481  0.1382  3  ASN B OD1 
189  N ND2 . ASN B 3  ? 0.8264 0.7832 0.6889 0.0173  0.1688  0.1381  3  ASN B ND2 
190  N N   . GLN B 4  ? 0.5978 0.5906 0.4843 -0.0273 0.1251  0.0872  4  GLN B N   
191  C CA  . GLN B 4  ? 0.6878 0.7032 0.6070 -0.0296 0.1093  0.0899  4  GLN B CA  
192  C C   . GLN B 4  ? 0.5059 0.5055 0.4514 -0.0373 0.1156  0.0821  4  GLN B C   
193  O O   . GLN B 4  ? 0.5339 0.5391 0.5079 -0.0328 0.1110  0.0918  4  GLN B O   
194  C CB  . GLN B 4  ? 0.7161 0.7597 0.6272 -0.0379 0.0919  0.0754  4  GLN B CB  
195  C CG  . GLN B 4  ? 0.6173 0.6858 0.5674 -0.0417 0.0782  0.0743  4  GLN B CG  
196  C CD  . GLN B 4  ? 0.6343 0.7323 0.5823 -0.0522 0.0601  0.0585  4  GLN B CD  
197  O OE1 . GLN B 4  ? 0.6838 0.7822 0.5960 -0.0569 0.0555  0.0470  4  GLN B OE1 
198  N NE2 . GLN B 4  ? 0.6057 0.7288 0.5926 -0.0557 0.0496  0.0570  4  GLN B NE2 
199  N N   . HIS B 5  ? 0.4322 0.4099 0.3663 -0.0484 0.1270  0.0647  5  HIS B N   
200  C CA  . HIS B 5  ? 0.4295 0.3896 0.3829 -0.0550 0.1352  0.0598  5  HIS B CA  
201  C C   . HIS B 5  ? 0.4601 0.4010 0.4228 -0.0441 0.1424  0.0779  5  HIS B C   
202  O O   . HIS B 5  ? 0.3615 0.2992 0.3435 -0.0434 0.1402  0.0806  5  HIS B O   
203  C CB  . HIS B 5  ? 0.4272 0.3646 0.3660 -0.0684 0.1469  0.0404  5  HIS B CB  
204  C CG  . HIS B 5  ? 0.4100 0.3264 0.3638 -0.0744 0.1578  0.0388  5  HIS B CG  
205  N ND1 . HIS B 5  ? 0.4038 0.2930 0.3533 -0.0667 0.1647  0.0441  5  HIS B ND1 
206  C CD2 . HIS B 5  ? 0.4098 0.3330 0.3838 -0.0839 0.1577  0.0322  5  HIS B CD2 
207  C CE1 . HIS B 5  ? 0.3944 0.2770 0.3567 -0.0683 0.1619  0.0396  5  HIS B CE1 
208  N NE2 . HIS B 5  ? 0.4566 0.3558 0.4320 -0.0802 0.1629  0.0340  5  HIS B NE2 
209  N N   . LEU B 6  ? 0.5155 0.4460 0.4659 -0.0346 0.1470  0.0879  6  LEU B N   
210  C CA  . LEU B 6  ? 0.4434 0.3679 0.4116 -0.0232 0.1354  0.0948  6  LEU B CA  
211  C C   . LEU B 6  ? 0.4163 0.3549 0.4055 -0.0165 0.1227  0.1066  6  LEU B C   
212  O O   . LEU B 6  ? 0.4010 0.3335 0.4053 -0.0135 0.1139  0.1050  6  LEU B O   
213  C CB  . LEU B 6  ? 0.4229 0.3417 0.3825 -0.0144 0.1396  0.1000  6  LEU B CB  
214  C CG  . LEU B 6  ? 0.4391 0.3392 0.3770 -0.0178 0.1554  0.0889  6  LEU B CG  
215  C CD1 . LEU B 6  ? 0.4768 0.3732 0.4121 -0.0059 0.1612  0.0963  6  LEU B CD1 
216  C CD2 . LEU B 6  ? 0.4006 0.2826 0.3460 -0.0227 0.1561  0.0772  6  LEU B CD2 
217  N N   . CYS B 7  ? 0.4361 0.3931 0.4246 -0.0131 0.1220  0.1193  7  CYS B N   
218  C CA  . CYS B 7  ? 0.4253 0.3939 0.4379 -0.0052 0.1103  0.1318  7  CYS B CA  
219  C C   . CYS B 7  ? 0.4097 0.3808 0.4392 -0.0098 0.1091  0.1270  7  CYS B C   
220  O O   . CYS B 7  ? 0.3800 0.3461 0.4283 -0.0041 0.1010  0.1290  7  CYS B O   
221  C CB  . CYS B 7  ? 0.4952 0.4865 0.5039 0.0012  0.1084  0.1498  7  CYS B CB  
222  S SG  . CYS B 7  ? 0.3953 0.3999 0.4388 0.0117  0.0938  0.1667  7  CYS B SG  
223  N N   . GLY B 8  ? 0.3973 0.3784 0.4206 -0.0200 0.1128  0.1131  8  GLY B N   
224  C CA  . GLY B 8  ? 0.3792 0.3653 0.4200 -0.0241 0.1111  0.1026  8  GLY B CA  
225  C C   . GLY B 8  ? 0.3597 0.3179 0.3993 -0.0260 0.1201  0.0994  8  GLY B C   
226  O O   . GLY B 8  ? 0.3398 0.2960 0.3926 -0.0235 0.1191  0.0973  8  GLY B O   
227  N N   . SER B 9  ? 0.3848 0.3254 0.4052 -0.0275 0.1199  0.0922  9  SER B N   
228  C CA  . SER B 9  ? 0.3864 0.3088 0.4027 -0.0252 0.1161  0.0855  9  SER B CA  
229  C C   . SER B 9  ? 0.3732 0.2919 0.4004 -0.0152 0.1050  0.0932  9  SER B C   
230  O O   . SER B 9  ? 0.3381 0.2468 0.3661 -0.0138 0.1032  0.0899  9  SER B O   
231  C CB  . SER B 9  ? 0.3733 0.2836 0.3754 -0.0262 0.1178  0.0805  9  SER B CB  
232  O OG  . SER B 9  ? 0.2884 0.1860 0.2884 -0.0233 0.1136  0.0775  9  SER B OG  
233  N N   . HIS B 10 ? 0.3093 0.2354 0.3443 -0.0087 0.0984  0.1033  10 HIS B N   
234  C CA  . HIS B 10 ? 0.3911 0.3157 0.4414 -0.0012 0.0874  0.1095  10 HIS B CA  
235  C C   . HIS B 10 ? 0.3357 0.2657 0.4041 0.0026  0.0858  0.1156  10 HIS B C   
236  O O   . HIS B 10 ? 0.4856 0.4073 0.5647 0.0067  0.0780  0.1161  10 HIS B O   
237  C CB  . HIS B 10 ? 0.3866 0.3193 0.4434 0.0040  0.0828  0.1180  10 HIS B CB  
238  C CG  . HIS B 10 ? 0.3286 0.2552 0.3764 0.0031  0.0844  0.1139  10 HIS B CG  
239  N ND1 . HIS B 10 ? 0.3489 0.2706 0.4045 0.0046  0.0768  0.1135  10 HIS B ND1 
240  C CD2 . HIS B 10 ? 0.3128 0.2374 0.3465 0.0011  0.0935  0.1112  10 HIS B CD2 
241  C CE1 . HIS B 10 ? 0.2863 0.2055 0.3364 0.0049  0.0815  0.1121  10 HIS B CE1 
242  N NE2 . HIS B 10 ? 0.3163 0.2357 0.3531 0.0035  0.0921  0.1102  10 HIS B NE2 
243  N N   . LEU B 11 ? 0.2836 0.2281 0.3573 0.0011  0.0926  0.1211  11 LEU B N   
244  C CA  . LEU B 11 ? 0.2716 0.2237 0.3693 0.0060  0.0924  0.1292  11 LEU B CA  
245  C C   . LEU B 11 ? 0.3159 0.2552 0.4126 0.0044  0.0975  0.1153  11 LEU B C   
246  O O   . LEU B 11 ? 0.3163 0.2493 0.4273 0.0122  0.0921  0.1143  11 LEU B O   
247  C CB  . LEU B 11 ? 0.2612 0.2446 0.3633 0.0048  0.0907  0.1285  11 LEU B CB  
248  C CG  . LEU B 11 ? 0.2888 0.2894 0.3972 0.0122  0.0821  0.1463  11 LEU B CG  
249  C CD1 . LEU B 11 ? 0.3184 0.3523 0.4307 0.0113  0.0758  0.1423  11 LEU B CD1 
250  C CD2 . LEU B 11 ? 0.3036 0.2958 0.4371 0.0235  0.0741  0.1615  11 LEU B CD2 
251  N N   . VAL B 12 ? 0.4088 0.3429 0.4872 -0.0050 0.1087  0.1037  12 VAL B N   
252  C CA  . VAL B 12 ? 0.4099 0.3345 0.4829 -0.0062 0.1165  0.0910  12 VAL B CA  
253  C C   . VAL B 12 ? 0.4454 0.3402 0.5092 -0.0005 0.1119  0.0923  12 VAL B C   
254  O O   . VAL B 12 ? 0.3874 0.2752 0.4535 0.0058  0.1115  0.0847  12 VAL B O   
255  C CB  . VAL B 12 ? 0.3897 0.3126 0.4459 -0.0184 0.1306  0.0821  12 VAL B CB  
256  C CG1 . VAL B 12 ? 0.4072 0.3105 0.4482 -0.0188 0.1406  0.0744  12 VAL B CG1 
257  C CG2 . VAL B 12 ? 0.3484 0.3027 0.4198 -0.0248 0.1333  0.0751  12 VAL B CG2 
258  N N   . GLU B 13 ? 0.4174 0.3035 0.4688 -0.0013 0.1014  0.0942  13 GLU B N   
259  C CA  . GLU B 13 ? 0.4689 0.3341 0.5121 0.0021  0.0910  0.0926  13 GLU B CA  
260  C C   . GLU B 13 ? 0.4244 0.2866 0.4891 0.0096  0.0782  0.0977  13 GLU B C   
261  O O   . GLU B 13 ? 0.4888 0.3283 0.5496 0.0133  0.0724  0.0934  13 GLU B O   
262  C CB  . GLU B 13 ? 0.5327 0.3984 0.5642 -0.0014 0.0808  0.0926  13 GLU B CB  
263  C CG  . GLU B 13 ? 0.4807 0.3645 0.5246 -0.0007 0.0740  0.0984  13 GLU B CG  
264  C CD  . GLU B 13 ? 0.5253 0.4058 0.5658 -0.0016 0.0637  0.0997  13 GLU B CD  
265  O OE1 . GLU B 13 ? 0.6024 0.4664 0.6344 -0.0026 0.0562  0.0984  13 GLU B OE1 
266  O OE2 . GLU B 13 ? 0.4156 0.3085 0.4619 -0.0007 0.0642  0.1030  13 GLU B OE2 
267  N N   . ALA B 14 ? 0.4561 0.3389 0.5416 0.0122  0.0732  0.1061  14 ALA B N   
268  C CA  . ALA B 14 ? 0.4415 0.3241 0.5501 0.0191  0.0617  0.1107  14 ALA B CA  
269  C C   . ALA B 14 ? 0.3828 0.2549 0.5051 0.0271  0.0683  0.1079  14 ALA B C   
270  O O   . ALA B 14 ? 0.3816 0.2364 0.5114 0.0329  0.0595  0.1023  14 ALA B O   
271  C CB  . ALA B 14 ? 0.5058 0.4134 0.6309 0.0208  0.0582  0.1224  14 ALA B CB  
272  N N   . LEU B 15 ? 0.3829 0.2725 0.5056 0.0268  0.0813  0.1046  15 LEU B N   
273  C CA  . LEU B 15 ? 0.3746 0.2706 0.5074 0.0344  0.0861  0.0924  15 LEU B CA  
274  C C   . LEU B 15 ? 0.4170 0.2864 0.5258 0.0358  0.0920  0.0757  15 LEU B C   
275  O O   . LEU B 15 ? 0.4136 0.2714 0.5292 0.0457  0.0912  0.0661  15 LEU B O   
276  C CB  . LEU B 15 ? 0.3245 0.2543 0.4636 0.0307  0.0964  0.0893  15 LEU B CB  
277  C CG  . LEU B 15 ? 0.2851 0.2463 0.4540 0.0362  0.0892  0.1005  15 LEU B CG  
278  C CD1 . LEU B 15 ? 0.3006 0.2599 0.4736 0.0370  0.0775  0.1196  15 LEU B CD1 
279  C CD2 . LEU B 15 ? 0.2929 0.2863 0.4630 0.0279  0.0959  0.0960  15 LEU B CD2 
280  N N   . TYR B 16 ? 0.3509 0.2089 0.4293 0.0269  0.0985  0.0721  16 TYR B N   
281  C CA  . TYR B 16 ? 0.5365 0.3689 0.5840 0.0285  0.1040  0.0584  16 TYR B CA  
282  C C   . TYR B 16 ? 0.5591 0.3608 0.6023 0.0343  0.0871  0.0552  16 TYR B C   
283  O O   . TYR B 16 ? 0.6113 0.3939 0.6391 0.0417  0.0887  0.0400  16 TYR B O   
284  C CB  . TYR B 16 ? 0.4746 0.2998 0.4920 0.0181  0.1122  0.0603  16 TYR B CB  
285  C CG  . TYR B 16 ? 0.5914 0.3879 0.5702 0.0199  0.1150  0.0505  16 TYR B CG  
286  C CD1 . TYR B 16 ? 0.5987 0.3952 0.5594 0.0232  0.1333  0.0383  16 TYR B CD1 
287  C CD2 . TYR B 16 ? 0.5836 0.3546 0.5442 0.0186  0.0993  0.0545  16 TYR B CD2 
288  C CE1 . TYR B 16 ? 0.5331 0.3025 0.4510 0.0260  0.1369  0.0303  16 TYR B CE1 
289  C CE2 . TYR B 16 ? 0.6282 0.3732 0.5483 0.0207  0.0989  0.0460  16 TYR B CE2 
290  C CZ  . TYR B 16 ? 0.5468 0.2899 0.4420 0.0248  0.1182  0.0339  16 TYR B CZ  
291  O OH  . TYR B 16 ? 0.6190 0.3354 0.4667 0.0280  0.1188  0.0263  16 TYR B OH  
292  N N   . LEU B 17 ? 0.4969 0.2930 0.5543 0.0309  0.0711  0.0688  17 LEU B N   
293  C CA  . LEU B 17 ? 0.5149 0.2829 0.5754 0.0338  0.0521  0.0666  17 LEU B CA  
294  C C   . LEU B 17 ? 0.5005 0.2651 0.5900 0.0437  0.0465  0.0622  17 LEU B C   
295  O O   . LEU B 17 ? 0.5408 0.2768 0.6244 0.0484  0.0360  0.0491  17 LEU B O   
296  C CB  . LEU B 17 ? 0.5289 0.3074 0.5984 0.0251  0.0354  0.0801  17 LEU B CB  
297  C CG  . LEU B 17 ? 0.5224 0.2784 0.5881 0.0229  0.0136  0.0772  17 LEU B CG  
298  C CD1 . LEU B 17 ? 0.4320 0.1962 0.5267 0.0249  0.0024  0.0793  17 LEU B CD1 
299  C CD2 . LEU B 17 ? 0.5933 0.3051 0.6343 0.0276  0.0121  0.0629  17 LEU B CD2 
300  N N   . VAL B 18 ? 0.4598 0.2516 0.5796 0.0473  0.0524  0.0726  18 VAL B N   
301  C CA  . VAL B 18 ? 0.4781 0.2706 0.6281 0.0573  0.0464  0.0716  18 VAL B CA  
302  C C   . VAL B 18 ? 0.5209 0.3066 0.6649 0.0686  0.0597  0.0523  18 VAL B C   
303  O O   . VAL B 18 ? 0.6100 0.3704 0.7602 0.0777  0.0544  0.0402  18 VAL B O   
304  C CB  . VAL B 18 ? 0.3820 0.2122 0.5598 0.0567  0.0455  0.0899  18 VAL B CB  
305  C CG1 . VAL B 18 ? 0.4367 0.2711 0.6444 0.0685  0.0433  0.0897  18 VAL B CG1 
306  C CG2 . VAL B 18 ? 0.3796 0.2221 0.5558 0.0461  0.0321  0.1012  18 VAL B CG2 
307  N N   . CYS B 19 ? 0.5891 0.3992 0.7209 0.0675  0.0777  0.0478  19 CYS B N   
308  C CA  . CYS B 19 ? 0.6889 0.5025 0.8210 0.0786  0.0935  0.0316  19 CYS B CA  
309  C C   . CYS B 19 ? 0.8197 0.5986 0.9096 0.0814  0.0986  0.0102  19 CYS B C   
310  O O   . CYS B 19 ? 0.8444 0.6000 0.9345 0.0934  0.0986  -0.0049 19 CYS B O   
311  C CB  . CYS B 19 ? 0.6486 0.5016 0.7871 0.0747  0.1108  0.0350  19 CYS B CB  
312  S SG  . CYS B 19 ? 0.3635 0.2584 0.5433 0.0718  0.1023  0.0577  19 CYS B SG  
313  N N   . GLY B 20 ? 1.0400 0.8130 1.0909 0.0713  0.1030  0.0085  20 GLY B N   
314  C CA  . GLY B 20 ? 1.0530 0.7934 1.0559 0.0737  0.1065  -0.0094 20 GLY B CA  
315  C C   . GLY B 20 ? 1.0211 0.7678 1.0054 0.0820  0.1337  -0.0235 20 GLY B C   
316  O O   . GLY B 20 ? 1.0431 0.8149 1.0245 0.0757  0.1516  -0.0173 20 GLY B O   
317  N N   . GLU B 21 ? 0.9427 0.6658 0.9157 0.0961  0.1382  -0.0428 21 GLU B N   
318  C CA  . GLU B 21 ? 0.9015 0.6279 0.8536 0.1061  0.1675  -0.0568 21 GLU B CA  
319  C C   . GLU B 21 ? 0.8143 0.5845 0.8171 0.1109  0.1866  -0.0492 21 GLU B C   
320  O O   . GLU B 21 ? 0.7768 0.5660 0.7731 0.1118  0.2131  -0.0512 21 GLU B O   
321  C CB  . GLU B 21 ? 0.9514 0.6381 0.8763 0.1217  0.1679  -0.0816 21 GLU B CB  
322  C CG  . GLU B 21 ? 0.9614 0.6113 0.8147 0.1196  0.1649  -0.0951 21 GLU B CG  
323  C CD  . GLU B 21 ? 0.9602 0.6246 0.7781 0.1175  0.1941  -0.0922 21 GLU B CD  
324  O OE1 . GLU B 21 ? 0.9509 0.6326 0.7794 0.1282  0.2241  -0.0980 21 GLU B OE1 
325  O OE2 . GLU B 21 ? 0.9912 0.6506 0.7749 0.1054  0.1878  -0.0824 21 GLU B OE2 
326  N N   . ARG B 22 ? 0.7268 0.5142 0.7818 0.1139  0.1733  -0.0392 22 ARG B N   
327  C CA  . ARG B 22 ? 0.6335 0.4648 0.7394 0.1192  0.1868  -0.0309 22 ARG B CA  
328  C C   . ARG B 22 ? 0.5339 0.4027 0.6467 0.1032  0.1943  -0.0170 22 ARG B C   
329  O O   . ARG B 22 ? 0.5029 0.4066 0.6435 0.1050  0.2129  -0.0155 22 ARG B O   
330  C CB  . ARG B 22 ? 0.6114 0.4516 0.7669 0.1256  0.1675  -0.0195 22 ARG B CB  
331  C CG  . ARG B 22 ? 0.7058 0.5129 0.8695 0.1435  0.1640  -0.0333 22 ARG B CG  
332  C CD  A ARG B 22 ? 0.7647 0.5734 0.9727 0.1466  0.1416  -0.0174 22 ARG B CD  
333  C CD  B ARG B 22 ? 0.7812 0.5924 0.9915 0.1471  0.1426  -0.0170 22 ARG B CD  
334  N NE  A ARG B 22 ? 0.6774 0.4697 0.8702 0.1317  0.1185  -0.0064 22 ARG B NE  
335  N NE  B ARG B 22 ? 0.6514 0.5126 0.9099 0.1491  0.1456  0.0015  22 ARG B NE  
336  C CZ  A ARG B 22 ? 0.6037 0.3939 0.8281 0.1310  0.0990  0.0104  22 ARG B CZ  
337  C CZ  B ARG B 22 ? 0.5490 0.4247 0.8472 0.1515  0.1286  0.0215  22 ARG B CZ  
338  N NH1 A ARG B 22 ? 0.5888 0.3931 0.8560 0.1425  0.0960  0.0192  22 ARG B NH1 
339  N NH1 B ARG B 22 ? 0.5428 0.3883 0.8421 0.1506  0.1090  0.0272  22 ARG B NH1 
340  N NH2 A ARG B 22 ? 0.5690 0.3461 0.7800 0.1172  0.0815  0.0205  22 ARG B NH2 
341  N NH2 B ARG B 22 ? 0.4755 0.3987 0.8121 0.1535  0.1302  0.0370  22 ARG B NH2 
342  N N   . GLY B 23 ? 0.8045 0.8330 0.6496 -0.0622 0.1204  0.0398  23 GLY B N   
343  C CA  . GLY B 23 ? 0.6470 0.6815 0.4972 -0.0569 0.1121  0.0461  23 GLY B CA  
344  C C   . GLY B 23 ? 0.6741 0.7073 0.5262 -0.0533 0.1126  0.0538  23 GLY B C   
345  O O   . GLY B 23 ? 0.5752 0.6050 0.4266 -0.0544 0.1188  0.0567  23 GLY B O   
346  N N   . PHE B 24 ? 0.4699 0.5043 0.3223 -0.0507 0.1067  0.0566  24 PHE B N   
347  C CA  . PHE B 24 ? 0.4333 0.4662 0.2837 -0.0482 0.1069  0.0625  24 PHE B CA  
348  C C   . PHE B 24 ? 0.4799 0.5130 0.3263 -0.0479 0.1020  0.0644  24 PHE B C   
349  O O   . PHE B 24 ? 0.4640 0.4995 0.3114 -0.0506 0.0977  0.0613  24 PHE B O   
350  C CB  . PHE B 24 ? 0.3664 0.3965 0.2157 -0.0517 0.1051  0.0581  24 PHE B CB  
351  C CG  . PHE B 24 ? 0.3937 0.4240 0.2422 -0.0549 0.0989  0.0513  24 PHE B CG  
352  C CD1 . PHE B 24 ? 0.4675 0.4988 0.3186 -0.0587 0.0976  0.0454  24 PHE B CD1 
353  C CD2 . PHE B 24 ? 0.4196 0.4496 0.2633 -0.0552 0.0953  0.0513  24 PHE B CD2 
354  C CE1 . PHE B 24 ? 0.4604 0.4934 0.3114 -0.0607 0.0935  0.0421  24 PHE B CE1 
355  C CE2 . PHE B 24 ? 0.3554 0.3855 0.1979 -0.0584 0.0917  0.0463  24 PHE B CE2 
356  C CZ  . PHE B 24 ? 0.4168 0.4486 0.2639 -0.0602 0.0912  0.0429  24 PHE B CZ  
357  N N   . PHE B 25 ? 0.4929 0.5245 0.3334 -0.0469 0.1023  0.0693  25 PHE B N   
358  C CA  . PHE B 25 ? 0.4470 0.4819 0.2809 -0.0518 0.0957  0.0694  25 PHE B CA  
359  C C   . PHE B 25 ? 0.4237 0.4581 0.2498 -0.0544 0.0928  0.0670  25 PHE B C   
360  O O   . PHE B 25 ? 0.4052 0.4363 0.2288 -0.0505 0.0979  0.0708  25 PHE B O   
361  C CB  . PHE B 25 ? 0.5099 0.5478 0.3404 -0.0514 0.0978  0.0779  25 PHE B CB  
362  C CG  . PHE B 25 ? 0.4983 0.5289 0.3230 -0.0472 0.1056  0.0853  25 PHE B CG  
363  C CD1 . PHE B 25 ? 0.4889 0.5085 0.3173 -0.0418 0.1165  0.0881  25 PHE B CD1 
364  C CD2 . PHE B 25 ? 0.4874 0.5229 0.3029 -0.0504 0.1012  0.0889  25 PHE B CD2 
365  C CE1 . PHE B 25 ? 0.4856 0.4932 0.3071 -0.0431 0.1225  0.0926  25 PHE B CE1 
366  C CE2 . PHE B 25 ? 0.4687 0.4969 0.2772 -0.0485 0.1078  0.0967  25 PHE B CE2 
367  C CZ  . PHE B 25 ? 0.4608 0.4728 0.2709 -0.0466 0.1190  0.0985  25 PHE B CZ  
368  N N   . TYR B 26 ? 0.4087 0.4459 0.2300 -0.0615 0.0860  0.0612  26 TYR B N   
369  C CA  . TYR B 26 ? 0.4527 0.4896 0.2632 -0.0652 0.0842  0.0576  26 TYR B CA  
370  C C   . TYR B 26 ? 0.4971 0.5419 0.2971 -0.0745 0.0774  0.0579  26 TYR B C   
371  O O   . TYR B 26 ? 0.5221 0.5705 0.3237 -0.0817 0.0726  0.0561  26 TYR B O   
372  C CB  . TYR B 26 ? 0.4464 0.4782 0.2573 -0.0671 0.0845  0.0493  26 TYR B CB  
373  C CG  . TYR B 26 ? 0.4559 0.4859 0.2540 -0.0700 0.0854  0.0447  26 TYR B CG  
374  C CD1 . TYR B 26 ? 0.3927 0.4225 0.1897 -0.0644 0.0906  0.0465  26 TYR B CD1 
375  C CD2 . TYR B 26 ? 0.5036 0.5314 0.2891 -0.0793 0.0824  0.0382  26 TYR B CD2 
376  C CE1 . TYR B 26 ? 0.4124 0.4417 0.1966 -0.0662 0.0928  0.0421  26 TYR B CE1 
377  C CE2 . TYR B 26 ? 0.5486 0.5732 0.3192 -0.0820 0.0851  0.0322  26 TYR B CE2 
378  C CZ  . TYR B 26 ? 0.4902 0.5165 0.2606 -0.0745 0.0903  0.0343  26 TYR B CZ  
379  O OH  . TYR B 26 ? 0.5008 0.5254 0.2557 -0.0761 0.0941  0.0282  26 TYR B OH  
380  N N   . THR B 27 ? 0.5179 0.5677 0.3069 -0.0759 0.0765  0.0610  27 THR B N   
381  C CA  . THR B 27 ? 0.6182 0.6808 0.3959 -0.0871 0.0685  0.0617  27 THR B CA  
382  C C   . THR B 27 ? 0.6720 0.7355 0.4327 -0.0897 0.0685  0.0586  27 THR B C   
383  O O   . THR B 27 ? 0.8212 0.8894 0.5786 -0.0842 0.0706  0.0665  27 THR B O   
384  C CB  . THR B 27 ? 0.7712 0.8488 0.5551 -0.0863 0.0654  0.0736  27 THR B CB  
385  O OG1 . THR B 27 ? 0.5731 0.6477 0.3721 -0.0812 0.0685  0.0761  27 THR B OG1 
386  C CG2 . THR B 27 ? 0.7856 0.8834 0.5615 -0.1010 0.0545  0.0748  27 THR B CG2 
387  N N   . PRO B 28 ? 0.5875 0.6450 0.3354 -0.0981 0.0676  0.0472  28 PRO B N   
388  C CA  . PRO B 28 ? 0.6749 0.7337 0.4035 -0.1011 0.0684  0.0425  28 PRO B CA  
389  C C   . PRO B 28 ? 0.7360 0.8133 0.4522 -0.1109 0.0598  0.0470  28 PRO B C   
390  O O   . PRO B 28 ? 0.7803 0.8660 0.4884 -0.1072 0.0603  0.0527  28 PRO B O   
391  C CB  . PRO B 28 ? 0.6659 0.7108 0.3826 -0.1090 0.0709  0.0278  28 PRO B CB  
392  C CG  . PRO B 28 ? 0.6526 0.6935 0.3777 -0.1162 0.0673  0.0266  28 PRO B CG  
393  C CD  . PRO B 28 ? 0.5835 0.6305 0.3318 -0.1050 0.0674  0.0381  28 PRO B CD  
394  N N   . LYS B 29 ? 0.7904 0.8766 0.5055 -0.1245 0.0514  0.0456  29 LYS B N   
395  C CA  . LYS B 29 ? 0.8432 0.9537 0.5496 -0.1363 0.0410  0.0510  29 LYS B CA  
396  C C   . LYS B 29 ? 0.9331 1.0616 0.6583 -0.1379 0.0348  0.0633  29 LYS B C   
397  O O   . LYS B 29 ? 1.0173 1.1714 0.7464 -0.1389 0.0283  0.0759  29 LYS B O   
398  C CB  . LYS B 29 ? 0.7997 0.9082 0.4823 -0.1565 0.0357  0.0363  29 LYS B CB  
399  C CG  . LYS B 29 ? 0.8014 0.9171 0.4614 -0.1601 0.0343  0.0315  29 LYS B CG  
400  C CD  . LYS B 29 ? 0.7944 0.8928 0.4507 -0.1444 0.0461  0.0279  29 LYS B CD  
401  C CE  . LYS B 29 ? 0.7782 0.8490 0.4301 -0.1445 0.0547  0.0125  29 LYS B CE  
402  N NZ  . LYS B 29 ? 0.8140 0.8732 0.4654 -0.1294 0.0661  0.0103  29 LYS B NZ  
403  O OXT . LYS B 29 ? 0.8927 1.0128 0.6304 -0.1376 0.0366  0.0621  29 LYS B OXT 
404  N N   . GLY C 1  ? 0.4038 0.6905 0.7591 0.0735  -0.0138 -0.0111 1  GLY C N   
405  C CA  . GLY C 1  ? 0.3597 0.5973 0.7100 0.0651  -0.0353 -0.0055 1  GLY C CA  
406  C C   . GLY C 1  ? 0.3349 0.5489 0.6552 0.0351  -0.0423 0.0042  1  GLY C C   
407  O O   . GLY C 1  ? 0.3800 0.6025 0.6780 0.0229  -0.0324 0.0032  1  GLY C O   
408  N N   . ILE C 2  ? 0.3369 0.5224 0.6564 0.0238  -0.0597 0.0138  2  ILE C N   
409  C CA  . ILE C 2  ? 0.3040 0.4684 0.5959 0.0001  -0.0655 0.0213  2  ILE C CA  
410  C C   . ILE C 2  ? 0.4553 0.5876 0.7149 0.0006  -0.0628 0.0083  2  ILE C C   
411  O O   . ILE C 2  ? 0.5275 0.6537 0.7637 -0.0135 -0.0601 0.0105  2  ILE C O   
412  C CB  . ILE C 2  ? 0.3867 0.5345 0.6845 -0.0109 -0.0829 0.0339  2  ILE C CB  
413  C CG1 . ILE C 2  ? 0.4076 0.5381 0.6765 -0.0316 -0.0864 0.0398  2  ILE C CG1 
414  C CG2 . ILE C 2  ? 0.3922 0.5100 0.6935 0.0002  -0.0947 0.0281  2  ILE C CG2 
415  C CD1 . ILE C 2  ? 0.3042 0.4305 0.5759 -0.0461 -0.0996 0.0537  2  ILE C CD1 
416  N N   . VAL C 3  ? 0.3751 0.4840 0.6320 0.0163  -0.0657 -0.0044 3  VAL C N   
417  C CA  . VAL C 3  ? 0.4673 0.5454 0.6932 0.0141  -0.0661 -0.0144 3  VAL C CA  
418  C C   . VAL C 3  ? 0.4309 0.5234 0.6394 0.0150  -0.0498 -0.0237 3  VAL C C   
419  O O   . VAL C 3  ? 0.4660 0.5472 0.6496 0.0023  -0.0490 -0.0229 3  VAL C O   
420  C CB  . VAL C 3  ? 0.5438 0.5877 0.7672 0.0277  -0.0774 -0.0241 3  VAL C CB  
421  C CG1 . VAL C 3  ? 0.6111 0.6245 0.8007 0.0230  -0.0793 -0.0329 3  VAL C CG1 
422  C CG2 . VAL C 3  ? 0.5095 0.5394 0.7467 0.0210  -0.0963 -0.0114 3  VAL C CG2 
423  N N   . GLU C 4  ? 0.5561 0.6770 0.7780 0.0300  -0.0367 -0.0317 4  GLU C N   
424  C CA  . GLU C 4  ? 0.5069 0.6468 0.7104 0.0294  -0.0203 -0.0402 4  GLU C CA  
425  C C   . GLU C 4  ? 0.5366 0.6996 0.7338 0.0061  -0.0171 -0.0252 4  GLU C C   
426  O O   . GLU C 4  ? 0.6234 0.7879 0.7957 -0.0036 -0.0104 -0.0278 4  GLU C O   
427  C CB  . GLU C 4  ? 0.5669 0.7421 0.7894 0.0524  -0.0051 -0.0514 4  GLU C CB  
428  C CG  . GLU C 4  ? 0.6377 0.8361 0.8378 0.0530  0.0137  -0.0626 4  GLU C CG  
429  C CD  . GLU C 4  ? 0.7329 0.9732 0.9527 0.0797  0.0315  -0.0752 4  GLU C CD  
430  O OE1 . GLU C 4  ? 0.7313 0.9736 0.9816 0.1015  0.0272  -0.0775 4  GLU C OE1 
431  O OE2 . GLU C 4  ? 0.7569 1.0306 0.9621 0.0795  0.0498  -0.0824 4  GLU C OE2 
432  N N   . GLN C 5  ? 0.3878 0.5640 0.6036 -0.0045 -0.0244 -0.0088 5  GLN C N   
433  C CA  . GLN C 5  ? 0.3946 0.5860 0.6014 -0.0268 -0.0248 0.0057  5  GLN C CA  
434  C C   . GLN C 5  ? 0.4157 0.5692 0.6006 -0.0408 -0.0376 0.0117  5  GLN C C   
435  O O   . GLN C 5  ? 0.3472 0.4950 0.5105 -0.0550 -0.0384 0.0165  5  GLN C O   
436  C CB  . GLN C 5  ? 0.3774 0.6051 0.6123 -0.0327 -0.0265 0.0210  5  GLN C CB  
437  C CG  . GLN C 5  ? 0.3826 0.6231 0.6048 -0.0584 -0.0302 0.0376  5  GLN C CG  
438  C CD  . GLN C 5  ? 0.3564 0.6391 0.6058 -0.0670 -0.0323 0.0548  5  GLN C CD  
439  O OE1 . GLN C 5  ? 0.3113 0.5921 0.5814 -0.0635 -0.0409 0.0606  5  GLN C OE1 
440  N NE2 . GLN C 5  ? 0.3785 0.7025 0.6279 -0.0811 -0.0258 0.0654  5  GLN C NE2 
441  N N   . CYS C 6  ? 0.3920 0.5211 0.5822 -0.0366 -0.0480 0.0120  6  CYS C N   
442  C CA  . CYS C 6  ? 0.3716 0.4738 0.5446 -0.0470 -0.0580 0.0178  6  CYS C CA  
443  C C   . CYS C 6  ? 0.3512 0.4277 0.5067 -0.0431 -0.0604 0.0104  6  CYS C C   
444  O O   . CYS C 6  ? 0.4606 0.5217 0.6009 -0.0495 -0.0657 0.0146  6  CYS C O   
445  C CB  . CYS C 6  ? 0.3277 0.4254 0.5142 -0.0488 -0.0679 0.0253  6  CYS C CB  
446  S SG  . CYS C 6  ? 0.3051 0.4296 0.5076 -0.0603 -0.0702 0.0395  6  CYS C SG  
447  N N   . CYS C 7  ? 0.5057 0.5768 0.6620 -0.0326 -0.0579 0.0001  7  CYS C N   
448  C CA  . CYS C 7  ? 0.5643 0.6129 0.7017 -0.0332 -0.0621 -0.0043 7  CYS C CA  
449  C C   . CYS C 7  ? 0.5005 0.5499 0.6169 -0.0378 -0.0551 -0.0088 7  CYS C C   
450  O O   . CYS C 7  ? 0.5743 0.6068 0.6736 -0.0414 -0.0598 -0.0097 7  CYS C O   
451  C CB  . CYS C 7  ? 0.4696 0.5017 0.6109 -0.0234 -0.0682 -0.0118 7  CYS C CB  
452  S SG  . CYS C 7  ? 0.4476 0.4734 0.6075 -0.0242 -0.0822 -0.0024 7  CYS C SG  
453  N N   . THR C 8  ? 0.3481 0.4202 0.4653 -0.0402 -0.0450 -0.0093 8  THR C N   
454  C CA  . THR C 8  ? 0.4759 0.5526 0.5712 -0.0497 -0.0395 -0.0100 8  THR C CA  
455  C C   . THR C 8  ? 0.5070 0.5876 0.5959 -0.0649 -0.0439 0.0036  8  THR C C   
456  O O   . THR C 8  ? 0.5722 0.6436 0.6407 -0.0750 -0.0469 0.0072  8  THR C O   
457  C CB  . THR C 8  ? 0.5336 0.6370 0.6295 -0.0439 -0.0248 -0.0196 8  THR C CB  
458  O OG1 . THR C 8  ? 0.4671 0.6036 0.5861 -0.0442 -0.0197 -0.0123 8  THR C OG1 
459  C CG2 . THR C 8  ? 0.5214 0.6115 0.6184 -0.0254 -0.0222 -0.0361 8  THR C CG2 
460  N N   . SER C 9  ? 0.4346 0.5245 0.5382 -0.0677 -0.0467 0.0119  9  SER C N   
461  C CA  . SER C 9  ? 0.3989 0.4827 0.4923 -0.0823 -0.0547 0.0244  9  SER C CA  
462  C C   . SER C 9  ? 0.3932 0.4600 0.4934 -0.0793 -0.0638 0.0284  9  SER C C   
463  O O   . SER C 9  ? 0.3862 0.4613 0.5055 -0.0716 -0.0625 0.0262  9  SER C O   
464  C CB  . SER C 9  ? 0.3776 0.4927 0.4749 -0.0950 -0.0502 0.0328  9  SER C CB  
465  O OG  . SER C 9  ? 0.3491 0.4895 0.4423 -0.0951 -0.0378 0.0268  9  SER C OG  
466  N N   . ILE C 10 ? 0.4373 0.4790 0.5200 -0.0846 -0.0737 0.0338  10 ILE C N   
467  C CA  . ILE C 10 ? 0.4216 0.4458 0.5041 -0.0806 -0.0810 0.0352  10 ILE C CA  
468  C C   . ILE C 10 ? 0.3741 0.4072 0.4623 -0.0910 -0.0844 0.0429  10 ILE C C   
469  O O   . ILE C 10 ? 0.3841 0.4148 0.4598 -0.1059 -0.0903 0.0517  10 ILE C O   
470  C CB  . ILE C 10 ? 0.5031 0.4967 0.5634 -0.0792 -0.0901 0.0367  10 ILE C CB  
471  C CG1 . ILE C 10 ? 0.5681 0.5595 0.6287 -0.0684 -0.0879 0.0320  10 ILE C CG1 
472  C CG2 . ILE C 10 ? 0.4868 0.4621 0.5405 -0.0753 -0.0963 0.0363  10 ILE C CG2 
473  C CD1 . ILE C 10 ? 0.6060 0.5735 0.6519 -0.0607 -0.0959 0.0331  10 ILE C CD1 
474  N N   . CYS C 11 ? 0.5380 0.5819 0.6448 -0.0859 -0.0831 0.0418  11 CYS C N   
475  C CA  . CYS C 11 ? 0.5266 0.5806 0.6411 -0.0967 -0.0882 0.0513  11 CYS C CA  
476  C C   . CYS C 11 ? 0.4293 0.4510 0.5211 -0.1024 -0.0999 0.0539  11 CYS C C   
477  O O   . CYS C 11 ? 0.5982 0.6028 0.6827 -0.0919 -0.1003 0.0467  11 CYS C O   
478  C CB  . CYS C 11 ? 0.5186 0.5974 0.6638 -0.0887 -0.0840 0.0504  11 CYS C CB  
479  S SG  . CYS C 11 ? 0.4203 0.5393 0.5914 -0.0804 -0.0706 0.0470  11 CYS C SG  
480  N N   . SER C 12 ? 0.3732 0.3871 0.4514 -0.1199 -0.1099 0.0645  12 SER C N   
481  C CA  . SER C 12 ? 0.5383 0.5146 0.5877 -0.1265 -0.1227 0.0657  12 SER C CA  
482  C C   . SER C 12 ? 0.4388 0.4252 0.5003 -0.1307 -0.1258 0.0699  12 SER C C   
483  O O   . SER C 12 ? 0.5505 0.5715 0.6453 -0.1266 -0.1191 0.0722  12 SER C O   
484  C CB  . SER C 12 ? 0.5883 0.5433 0.6115 -0.1470 -0.1368 0.0768  12 SER C CB  
485  O OG  . SER C 12 ? 0.6062 0.5982 0.6489 -0.1653 -0.1383 0.0922  12 SER C OG  
486  N N   . LEU C 13 ? 0.6200 0.6439 0.3114 -0.0054 0.1358  0.0332  13 LEU C N   
487  C CA  . LEU C 13 ? 0.5977 0.6120 0.2799 -0.0087 0.1330  0.0340  13 LEU C CA  
488  C C   . LEU C 13 ? 0.5561 0.5393 0.2395 -0.0366 0.1255  0.0255  13 LEU C C   
489  O O   . LEU C 13 ? 0.5461 0.5475 0.2558 -0.0533 0.1224  0.0261  13 LEU C O   
490  C CB  . LEU C 13 ? 0.7090 0.6722 0.3354 0.0130  0.1323  0.0320  13 LEU C CB  
491  C CG  . LEU C 13 ? 0.7332 0.7140 0.3594 0.0425  0.1406  0.0418  13 LEU C CG  
492  C CD1 . LEU C 13 ? 0.8518 0.7710 0.4164 0.0706  0.1399  0.0399  13 LEU C CD1 
493  C CD2 . LEU C 13 ? 0.6600 0.6888 0.3250 0.0394  0.1437  0.0519  13 LEU C CD2 
494  N N   . TYR C 14 ? 0.5973 0.5392 0.2563 -0.0494 0.1200  0.0167  14 TYR C N   
495  C CA  . TYR C 14 ? 0.6917 0.6137 0.3517 -0.0851 0.1096  0.0103  14 TYR C CA  
496  C C   . TYR C 14 ? 0.6726 0.6477 0.3975 -0.1038 0.1098  0.0105  14 TYR C C   
497  O O   . TYR C 14 ? 0.5487 0.5341 0.2935 -0.1282 0.1026  0.0098  14 TYR C O   
498  C CB  . TYR C 14 ? 0.7141 0.5781 0.3257 -0.0941 0.1014  0.0049  14 TYR C CB  
499  C CG  . TYR C 14 ? 0.7583 0.5632 0.3058 -0.0687 0.0989  0.0039  14 TYR C CG  
500  C CD1 . TYR C 14 ? 0.7145 0.5222 0.2530 -0.0352 0.1078  0.0055  14 TYR C CD1 
501  C CD2 . TYR C 14 ? 0.7096 0.4577 0.2078 -0.0784 0.0859  0.0024  14 TYR C CD2 
502  C CE1 . TYR C 14 ? 0.7246 0.4799 0.2083 -0.0098 0.1059  0.0049  14 TYR C CE1 
503  C CE2 . TYR C 14 ? 0.7708 0.4590 0.2100 -0.0531 0.0828  0.0011  14 TYR C CE2 
504  C CZ  . TYR C 14 ? 0.7822 0.4742 0.2148 -0.0176 0.0938  0.0021  14 TYR C CZ  
505  O OH  . TYR C 14 ? 0.8565 0.4874 0.2307 0.0094  0.0919  0.0017  14 TYR C OH  
506  N N   . GLN C 15 ? 0.5786 0.5863 0.3358 -0.0906 0.1160  0.0131  15 GLN C N   
507  C CA  . GLN C 15 ? 0.5500 0.5979 0.3627 -0.1021 0.1130  0.0132  15 GLN C CA  
508  C C   . GLN C 15 ? 0.4480 0.5261 0.2907 -0.1017 0.1106  0.0183  15 GLN C C   
509  O O   . GLN C 15 ? 0.5007 0.5941 0.3730 -0.1153 0.1039  0.0163  15 GLN C O   
510  C CB  . GLN C 15 ? 0.4731 0.5362 0.3025 -0.0901 0.1169  0.0155  15 GLN C CB  
511  C CG  . GLN C 15 ? 0.5706 0.6075 0.3772 -0.0922 0.1181  0.0100  15 GLN C CG  
512  C CD  . GLN C 15 ? 0.5147 0.5680 0.3382 -0.0803 0.1216  0.0130  15 GLN C CD  
513  O OE1 . GLN C 15 ? 0.5180 0.5671 0.3213 -0.0600 0.1279  0.0182  15 GLN C OE1 
514  N NE2 . GLN C 15 ? 0.4939 0.5647 0.3508 -0.0907 0.1172  0.0110  15 GLN C NE2 
515  N N   . LEU C 16 ? 0.5849 0.6711 0.4183 -0.0834 0.1159  0.0262  16 LEU C N   
516  C CA  . LEU C 16 ? 0.4930 0.6068 0.3529 -0.0844 0.1126  0.0325  16 LEU C CA  
517  C C   . LEU C 16 ? 0.5013 0.6043 0.3528 -0.0978 0.1079  0.0284  16 LEU C C   
518  O O   . LEU C 16 ? 0.5083 0.6320 0.3884 -0.1061 0.1017  0.0301  16 LEU C O   
519  C CB  . LEU C 16 ? 0.4488 0.5755 0.3001 -0.0615 0.1202  0.0445  16 LEU C CB  
520  C CG  . LEU C 16 ? 0.4275 0.5721 0.2938 -0.0524 0.1227  0.0517  16 LEU C CG  
521  C CD1 . LEU C 16 ? 0.4189 0.5716 0.2685 -0.0308 0.1301  0.0621  16 LEU C CD1 
522  C CD2 . LEU C 16 ? 0.3486 0.5235 0.2570 -0.0686 0.1108  0.0553  16 LEU C CD2 
523  N N   . GLU C 17 ? 0.4503 0.5153 0.2576 -0.1011 0.1089  0.0237  17 GLU C N   
524  C CA  . GLU C 17 ? 0.4877 0.5370 0.2816 -0.1180 0.1023  0.0216  17 GLU C CA  
525  C C   . GLU C 17 ? 0.4658 0.5340 0.2980 -0.1410 0.0937  0.0191  17 GLU C C   
526  O O   . GLU C 17 ? 0.5197 0.5919 0.3589 -0.1536 0.0874  0.0205  17 GLU C O   
527  C CB  . GLU C 17 ? 0.5350 0.5248 0.2628 -0.1197 0.0999  0.0182  17 GLU C CB  
528  C CG  . GLU C 17 ? 0.5701 0.5336 0.2732 -0.1326 0.0899  0.0186  17 GLU C CG  
529  C CD  . GLU C 17 ? 0.6664 0.5573 0.2973 -0.1370 0.0806  0.0158  17 GLU C CD  
530  O OE1 . GLU C 17 ? 0.6709 0.5344 0.2767 -0.1339 0.0809  0.0129  17 GLU C OE1 
531  O OE2 . GLU C 17 ? 0.7405 0.5975 0.3378 -0.1440 0.0707  0.0169  17 GLU C OE2 
532  N N   . ASN C 18 ? 0.4462 0.5264 0.3026 -0.1427 0.0933  0.0166  18 ASN C N   
533  C CA  . ASN C 18 ? 0.4361 0.5340 0.3253 -0.1542 0.0860  0.0159  18 ASN C CA  
534  C C   . ASN C 18 ? 0.4441 0.5665 0.3652 -0.1494 0.0823  0.0177  18 ASN C C   
535  O O   . ASN C 18 ? 0.4430 0.5758 0.3814 -0.1553 0.0767  0.0190  18 ASN C O   
536  C CB  . ASN C 18 ? 0.4517 0.5536 0.3529 -0.1508 0.0877  0.0135  18 ASN C CB  
537  C CG  . ASN C 18 ? 0.4972 0.5968 0.3981 -0.1647 0.0825  0.0153  18 ASN C CG  
538  O OD1 . ASN C 18 ? 0.4921 0.5752 0.3696 -0.1806 0.0769  0.0185  18 ASN C OD1 
539  N ND2 . ASN C 18 ? 0.5047 0.6196 0.4280 -0.1595 0.0833  0.0156  18 ASN C ND2 
540  N N   . TYR C 19 ? 0.4575 0.5891 0.3841 -0.1385 0.0848  0.0199  19 TYR C N   
541  C CA  . TYR C 19 ? 0.4485 0.5971 0.3981 -0.1371 0.0795  0.0224  19 TYR C CA  
542  C C   . TYR C 19 ? 0.5344 0.6878 0.4817 -0.1390 0.0771  0.0258  19 TYR C C   
543  O O   . TYR C 19 ? 0.5324 0.6979 0.4951 -0.1389 0.0720  0.0287  19 TYR C O   
544  C CB  . TYR C 19 ? 0.4687 0.6266 0.4257 -0.1300 0.0796  0.0262  19 TYR C CB  
545  C CG  . TYR C 19 ? 0.4377 0.5900 0.3965 -0.1292 0.0813  0.0228  19 TYR C CG  
546  C CD1 . TYR C 19 ? 0.3726 0.5167 0.3189 -0.1240 0.0874  0.0215  19 TYR C CD1 
547  C CD2 . TYR C 19 ? 0.5093 0.6621 0.4770 -0.1331 0.0782  0.0214  19 TYR C CD2 
548  C CE1 . TYR C 19 ? 0.4747 0.6138 0.4226 -0.1234 0.0887  0.0185  19 TYR C CE1 
549  C CE2 . TYR C 19 ? 0.5357 0.6824 0.5009 -0.1320 0.0811  0.0188  19 TYR C CE2 
550  C CZ  . TYR C 19 ? 0.5043 0.6453 0.4623 -0.1274 0.0856  0.0171  19 TYR C CZ  
551  O OH  . TYR C 19 ? 0.4473 0.5822 0.4030 -0.1263 0.0884  0.0146  19 TYR C OH  
552  N N   . CYS C 20 ? 0.3522 0.4921 0.2745 -0.1419 0.0805  0.0260  20 CYS C N   
553  C CA  . CYS C 20 ? 0.3872 0.5287 0.3030 -0.1443 0.0786  0.0294  20 CYS C CA  
554  C C   . CYS C 20 ? 0.4219 0.5659 0.3525 -0.1573 0.0699  0.0278  20 CYS C C   
555  O O   . CYS C 20 ? 0.4187 0.5625 0.3586 -0.1630 0.0666  0.0260  20 CYS C O   
556  C CB  . CYS C 20 ? 0.4361 0.5510 0.3051 -0.1411 0.0852  0.0307  20 CYS C CB  
557  S SG  . CYS C 20 ? 0.4071 0.5207 0.2540 -0.1140 0.0968  0.0358  20 CYS C SG  
558  N N   . ASN C 21 ? 0.3905 0.5403 0.3236 -0.1595 0.0665  0.0307  21 ASN C N   
559  C CA  . ASN C 21 ? 0.4108 0.5643 0.3562 -0.1693 0.0581  0.0313  21 ASN C CA  
560  C C   . ASN C 21 ? 0.4464 0.5792 0.3644 -0.1853 0.0544  0.0331  21 ASN C C   
561  O O   . ASN C 21 ? 0.4680 0.6056 0.3951 -0.1950 0.0453  0.0364  21 ASN C O   
562  C CB  . ASN C 21 ? 0.4111 0.5760 0.3673 -0.1668 0.0546  0.0339  21 ASN C CB  
563  C CG  . ASN C 21 ? 0.3921 0.5710 0.3732 -0.1599 0.0515  0.0340  21 ASN C CG  
564  O OD1 . ASN C 21 ? 0.3990 0.5849 0.3834 -0.1550 0.0512  0.0367  21 ASN C OD1 
565  N ND2 . ASN C 21 ? 0.4227 0.6057 0.4167 -0.1608 0.0491  0.0334  21 ASN C ND2 
566  O OXT . ASN C 21 ? 0.5012 0.6075 0.3809 -0.1889 0.0592  0.0330  21 ASN C OXT 
567  N N   . PHE D 1  ? 1.1606 0.9950 0.7733 -0.1632 0.1348  -0.2947 1  PHE D N   
568  C CA  . PHE D 1  ? 1.1893 1.0543 0.7722 -0.1517 0.1054  -0.2776 1  PHE D CA  
569  C C   . PHE D 1  ? 1.0679 0.9238 0.6687 -0.1487 0.0960  -0.2547 1  PHE D C   
570  O O   . PHE D 1  ? 0.9392 0.7633 0.5457 -0.1437 0.1080  -0.2315 1  PHE D O   
571  C CB  . PHE D 1  ? 1.2248 1.0923 0.7683 -0.1370 0.1056  -0.2577 1  PHE D CB  
572  C CG  . PHE D 1  ? 1.2152 1.1090 0.7324 -0.1231 0.0789  -0.2329 1  PHE D CG  
573  C CD1 . PHE D 1  ? 1.2506 1.1808 0.7592 -0.1224 0.0528  -0.2415 1  PHE D CD1 
574  C CD2 . PHE D 1  ? 1.2135 1.0945 0.7168 -0.1112 0.0808  -0.1995 1  PHE D CD2 
575  C CE1 . PHE D 1  ? 1.2757 1.2276 0.7633 -0.1079 0.0301  -0.2160 1  PHE D CE1 
576  C CE2 . PHE D 1  ? 1.2548 1.1586 0.7388 -0.0980 0.0580  -0.1746 1  PHE D CE2 
577  C CZ  . PHE D 1  ? 1.3177 1.2564 0.7942 -0.0952 0.0332  -0.1823 1  PHE D CZ  
578  N N   . VAL D 2  ? 1.0570 0.9412 0.6642 -0.1513 0.0742  -0.2613 2  VAL D N   
579  C CA  . VAL D 2  ? 0.9328 0.8081 0.5627 -0.1513 0.0689  -0.2474 2  VAL D CA  
580  C C   . VAL D 2  ? 0.8337 0.7107 0.4397 -0.1354 0.0527  -0.2149 2  VAL D C   
581  O O   . VAL D 2  ? 0.7346 0.5847 0.3508 -0.1323 0.0576  -0.1954 2  VAL D O   
582  C CB  . VAL D 2  ? 0.7901 0.6951 0.4413 -0.1622 0.0553  -0.2693 2  VAL D CB  
583  C CG1 . VAL D 2  ? 0.7314 0.6295 0.4033 -0.1611 0.0507  -0.2553 2  VAL D CG1 
584  C CG2 . VAL D 2  ? 0.7957 0.6948 0.4763 -0.1798 0.0742  -0.3003 2  VAL D CG2 
585  N N   . ASN D 3  ? 0.9113 0.8183 0.4852 -0.1245 0.0336  -0.2071 3  ASN D N   
586  C CA  . ASN D 3  ? 0.8563 0.7670 0.4130 -0.1093 0.0179  -0.1751 3  ASN D CA  
587  C C   . ASN D 3  ? 0.8383 0.7110 0.3893 -0.1042 0.0331  -0.1498 3  ASN D C   
588  O O   . ASN D 3  ? 0.7443 0.6027 0.2953 -0.0968 0.0257  -0.1246 3  ASN D O   
589  C CB  . ASN D 3  ? 0.9459 0.8943 0.4708 -0.0969 -0.0023 -0.1683 3  ASN D CB  
590  C CG  . ASN D 3  ? 0.9685 0.9498 0.4970 -0.0948 -0.0273 -0.1714 3  ASN D CG  
591  O OD1 . ASN D 3  ? 0.9837 0.9718 0.5079 -0.0823 -0.0420 -0.1469 3  ASN D OD1 
592  N ND2 . ASN D 3  ? 0.9636 0.9658 0.5025 -0.1079 -0.0316 -0.2012 3  ASN D ND2 
593  N N   . GLN D 4  ? 0.8851 0.7392 0.4311 -0.1080 0.0543  -0.1559 4  GLN D N   
594  C CA  . GLN D 4  ? 0.8653 0.6783 0.4094 -0.1052 0.0708  -0.1332 4  GLN D CA  
595  C C   . GLN D 4  ? 0.7704 0.5470 0.3406 -0.1111 0.0813  -0.1306 4  GLN D C   
596  O O   . GLN D 4  ? 0.7004 0.4478 0.2662 -0.1048 0.0814  -0.1053 4  GLN D O   
597  C CB  . GLN D 4  ? 0.9026 0.7038 0.4385 -0.1078 0.0942  -0.1423 4  GLN D CB  
598  C CG  . GLN D 4  ? 0.9276 0.6862 0.4622 -0.1041 0.1134  -0.1193 4  GLN D CG  
599  C CD  . GLN D 4  ? 1.0613 0.8080 0.5936 -0.1063 0.1405  -0.1305 4  GLN D CD  
600  O OE1 . GLN D 4  ? 1.1499 0.8728 0.7068 -0.1140 0.1624  -0.1466 4  GLN D OE1 
601  N NE2 . GLN D 4  ? 1.1479 0.9117 0.6538 -0.0982 0.1407  -0.1204 4  GLN D NE2 
602  N N   . HIS D 5  ? 0.7492 0.5268 0.3467 -0.1223 0.0903  -0.1555 5  HIS D N   
603  C CA  . HIS D 5  ? 0.7238 0.4708 0.3480 -0.1263 0.1017  -0.1514 5  HIS D CA  
604  C C   . HIS D 5  ? 0.6890 0.4390 0.3089 -0.1195 0.0817  -0.1345 5  HIS D C   
605  O O   . HIS D 5  ? 0.7038 0.4211 0.3265 -0.1152 0.0869  -0.1163 5  HIS D O   
606  C CB  . HIS D 5  ? 0.7059 0.4601 0.3638 -0.1395 0.1141  -0.1797 5  HIS D CB  
607  C CG  . HIS D 5  ? 0.6830 0.4066 0.3716 -0.1426 0.1313  -0.1732 5  HIS D CG  
608  N ND1 . HIS D 5  ? 0.7099 0.4003 0.4171 -0.1436 0.1586  -0.1683 5  HIS D ND1 
609  C CD2 . HIS D 5  ? 0.6795 0.4019 0.3833 -0.1431 0.1264  -0.1688 5  HIS D CD2 
610  C CE1 . HIS D 5  ? 0.6894 0.3619 0.4216 -0.1435 0.1686  -0.1589 5  HIS D CE1 
611  N NE2 . HIS D 5  ? 0.7008 0.3910 0.4301 -0.1437 0.1502  -0.1599 5  HIS D NE2 
612  N N   . LEU D 6  ? 0.6724 0.4613 0.2848 -0.1172 0.0590  -0.1402 6  LEU D N   
613  C CA  . LEU D 6  ? 0.7021 0.4950 0.3100 -0.1089 0.0404  -0.1236 6  LEU D CA  
614  C C   . LEU D 6  ? 0.6987 0.4738 0.2839 -0.0957 0.0319  -0.0918 6  LEU D C   
615  O O   . LEU D 6  ? 0.6895 0.4419 0.2751 -0.0892 0.0270  -0.0741 6  LEU D O   
616  C CB  . LEU D 6  ? 0.7182 0.5584 0.3247 -0.1082 0.0191  -0.1361 6  LEU D CB  
617  C CG  . LEU D 6  ? 0.6769 0.5395 0.3069 -0.1224 0.0235  -0.1690 6  LEU D CG  
618  C CD1 . LEU D 6  ? 0.7336 0.6429 0.3596 -0.1204 -0.0012 -0.1776 6  LEU D CD1 
619  C CD2 . LEU D 6  ? 0.6437 0.4799 0.3045 -0.1318 0.0410  -0.1757 6  LEU D CD2 
620  N N   . CYS D 7  ? 0.6293 0.4147 0.1962 -0.0911 0.0304  -0.0842 7  CYS D N   
621  C CA  . CYS D 7  ? 0.6214 0.3910 0.1746 -0.0795 0.0236  -0.0529 7  CYS D CA  
622  C C   . CYS D 7  ? 0.6198 0.3422 0.1753 -0.0802 0.0384  -0.0399 7  CYS D C   
623  O O   . CYS D 7  ? 0.6433 0.3482 0.2007 -0.0716 0.0286  -0.0163 7  CYS D O   
624  C CB  . CYS D 7  ? 0.6394 0.4307 0.1752 -0.0750 0.0235  -0.0472 7  CYS D CB  
625  S SG  . CYS D 7  ? 0.6309 0.4027 0.1630 -0.0626 0.0204  -0.0085 7  CYS D SG  
626  N N   . GLY D 8  ? 0.6398 0.3429 0.1994 -0.0893 0.0622  -0.0550 8  GLY D N   
627  C CA  . GLY D 8  ? 0.6721 0.3384 0.2469 -0.0869 0.0763  -0.0402 8  GLY D CA  
628  C C   . GLY D 8  ? 0.6179 0.2702 0.2086 -0.0849 0.0711  -0.0350 8  GLY D C   
629  O O   . GLY D 8  ? 0.7155 0.3464 0.3147 -0.0776 0.0696  -0.0129 8  GLY D O   
630  N N   . SER D 9  ? 0.6950 0.3615 0.2903 -0.0912 0.0683  -0.0553 9  SER D N   
631  C CA  . SER D 9  ? 0.7017 0.3576 0.3101 -0.0883 0.0652  -0.0501 9  SER D CA  
632  C C   . SER D 9  ? 0.7446 0.4006 0.3404 -0.0761 0.0423  -0.0283 9  SER D C   
633  O O   . SER D 9  ? 0.7891 0.4260 0.3895 -0.0700 0.0408  -0.0151 9  SER D O   
634  C CB  . SER D 9  ? 0.6826 0.3584 0.3028 -0.0982 0.0677  -0.0764 9  SER D CB  
635  O OG  . SER D 9  ? 0.7153 0.3816 0.3482 -0.0945 0.0679  -0.0704 9  SER D OG  
636  N N   . HIS D 10 ? 0.7378 0.4146 0.3172 -0.0721 0.0250  -0.0244 10 HIS D N   
637  C CA  . HIS D 10 ? 0.7288 0.4050 0.3078 -0.0599 0.0054  -0.0033 10 HIS D CA  
638  C C   . HIS D 10 ? 0.7059 0.3667 0.2950 -0.0540 0.0041  0.0171  10 HIS D C   
639  O O   . HIS D 10 ? 0.7535 0.4130 0.3619 -0.0455 -0.0074 0.0267  10 HIS D O   
640  C CB  . HIS D 10 ? 0.7017 0.4139 0.2812 -0.0546 -0.0107 -0.0032 10 HIS D CB  
641  C CG  . HIS D 10 ? 0.6852 0.4209 0.2668 -0.0568 -0.0159 -0.0203 10 HIS D CG  
642  N ND1 . HIS D 10 ? 0.6821 0.4175 0.2678 -0.0486 -0.0270 -0.0152 10 HIS D ND1 
643  C CD2 . HIS D 10 ? 0.7256 0.4878 0.3093 -0.0667 -0.0115 -0.0440 10 HIS D CD2 
644  C CE1 . HIS D 10 ? 0.7025 0.4622 0.2899 -0.0531 -0.0293 -0.0333 10 HIS D CE1 
645  N NE2 . HIS D 10 ? 0.7057 0.4840 0.2948 -0.0649 -0.0211 -0.0515 10 HIS D NE2 
646  N N   . LEU D 11 ? 0.6966 0.3542 0.2816 -0.0583 0.0165  0.0188  11 LEU D N   
647  C CA  . LEU D 11 ? 0.7312 0.3893 0.3415 -0.0517 0.0150  0.0348  11 LEU D CA  
648  C C   . LEU D 11 ? 0.6426 0.2949 0.2801 -0.0476 0.0169  0.0375  11 LEU D C   
649  O O   . LEU D 11 ? 0.6309 0.3002 0.2968 -0.0402 0.0054  0.0469  11 LEU D O   
650  C CB  . LEU D 11 ? 0.6854 0.3424 0.2858 -0.0563 0.0314  0.0359  11 LEU D CB  
651  C CG  . LEU D 11 ? 0.7107 0.3915 0.3006 -0.0534 0.0251  0.0415  11 LEU D CG  
652  C CD1 . LEU D 11 ? 0.6775 0.3564 0.2542 -0.0575 0.0456  0.0402  11 LEU D CD1 
653  C CD2 . LEU D 11 ? 0.7952 0.4915 0.4160 -0.0431 0.0086  0.0600  11 LEU D CD2 
654  N N   . VAL D 12 ? 0.6470 0.2822 0.2791 -0.0526 0.0327  0.0293  12 VAL D N   
655  C CA  . VAL D 12 ? 0.5917 0.2347 0.2539 -0.0457 0.0345  0.0341  12 VAL D CA  
656  C C   . VAL D 12 ? 0.5994 0.2501 0.2648 -0.0396 0.0179  0.0350  12 VAL D C   
657  O O   . VAL D 12 ? 0.5058 0.1711 0.1936 -0.0333 0.0101  0.0431  12 VAL D O   
658  C CB  . VAL D 12 ? 0.6062 0.2332 0.2695 -0.0510 0.0581  0.0263  12 VAL D CB  
659  C CG1 . VAL D 12 ? 0.5950 0.2148 0.2642 -0.0554 0.0774  0.0249  12 VAL D CG1 
660  C CG2 . VAL D 12 ? 0.6955 0.3016 0.3304 -0.0621 0.0658  0.0115  12 VAL D CG2 
661  N N   . GLU D 13 ? 0.6828 0.3217 0.3235 -0.0425 0.0134  0.0267  13 GLU D N   
662  C CA  . GLU D 13 ? 0.6586 0.3006 0.3000 -0.0361 0.0000  0.0264  13 GLU D CA  
663  C C   . GLU D 13 ? 0.5968 0.2544 0.2535 -0.0311 -0.0169 0.0328  13 GLU D C   
664  O O   . GLU D 13 ? 0.5857 0.2467 0.2507 -0.0267 -0.0254 0.0345  13 GLU D O   
665  C CB  . GLU D 13 ? 0.6061 0.2338 0.2218 -0.0392 0.0000  0.0185  13 GLU D CB  
666  C CG  . GLU D 13 ? 0.6496 0.2760 0.2641 -0.0312 -0.0108 0.0177  13 GLU D CG  
667  C CD  . GLU D 13 ? 0.6755 0.2981 0.2943 -0.0272 -0.0046 0.0184  13 GLU D CD  
668  O OE1 . GLU D 13 ? 0.6236 0.2420 0.2445 -0.0305 0.0118  0.0188  13 GLU D OE1 
669  O OE2 . GLU D 13 ? 0.6879 0.3110 0.3076 -0.0208 -0.0151 0.0192  13 GLU D OE2 
670  N N   . ALA D 14 ? 0.6602 0.3251 0.3180 -0.0326 -0.0202 0.0368  14 ALA D N   
671  C CA  . ALA D 14 ? 0.5510 0.2301 0.2276 -0.0289 -0.0316 0.0453  14 ALA D CA  
672  C C   . ALA D 14 ? 0.5317 0.2220 0.2337 -0.0282 -0.0308 0.0535  14 ALA D C   
673  O O   . ALA D 14 ? 0.5109 0.2050 0.2248 -0.0263 -0.0409 0.0571  14 ALA D O   
674  C CB  . ALA D 14 ? 0.7008 0.3882 0.3739 -0.0295 -0.0318 0.0516  14 ALA D CB  
675  N N   . LEU D 15 ? 0.5520 0.2449 0.2613 -0.0300 -0.0187 0.0572  15 LEU D N   
676  C CA  . LEU D 15 ? 0.5393 0.2449 0.2768 -0.0280 -0.0176 0.0681  15 LEU D CA  
677  C C   . LEU D 15 ? 0.5373 0.2407 0.2757 -0.0255 -0.0232 0.0667  15 LEU D C   
678  O O   . LEU D 15 ? 0.5399 0.2502 0.2932 -0.0241 -0.0313 0.0746  15 LEU D O   
679  C CB  . LEU D 15 ? 0.5356 0.2415 0.2815 -0.0293 -0.0015 0.0727  15 LEU D CB  
680  C CG  . LEU D 15 ? 0.5060 0.2139 0.2521 -0.0315 0.0053  0.0783  15 LEU D CG  
681  C CD1 . LEU D 15 ? 0.5235 0.2252 0.2754 -0.0330 0.0236  0.0806  15 LEU D CD1 
682  C CD2 . LEU D 15 ? 0.5035 0.2288 0.2757 -0.0288 -0.0034 0.0925  15 LEU D CD2 
683  N N   . TYR D 16 ? 0.5388 0.2298 0.2579 -0.0252 -0.0184 0.0576  16 TYR D N   
684  C CA  . TYR D 16 ? 0.5614 0.2480 0.2755 -0.0221 -0.0220 0.0576  16 TYR D CA  
685  C C   . TYR D 16 ? 0.5654 0.2458 0.2693 -0.0215 -0.0390 0.0543  16 TYR D C   
686  O O   . TYR D 16 ? 0.6066 0.2856 0.3109 -0.0202 -0.0472 0.0591  16 TYR D O   
687  C CB  . TYR D 16 ? 0.5881 0.2602 0.2822 -0.0217 -0.0112 0.0493  16 TYR D CB  
688  C CG  . TYR D 16 ? 0.5899 0.2546 0.2725 -0.0174 -0.0133 0.0500  16 TYR D CG  
689  C CD1 . TYR D 16 ? 0.5970 0.2680 0.2917 -0.0141 -0.0071 0.0615  16 TYR D CD1 
690  C CD2 . TYR D 16 ? 0.5828 0.2326 0.2411 -0.0156 -0.0210 0.0410  16 TYR D CD2 
691  C CE1 . TYR D 16 ? 0.6198 0.2834 0.2989 -0.0093 -0.0087 0.0642  16 TYR D CE1 
692  C CE2 . TYR D 16 ? 0.6124 0.2519 0.2544 -0.0108 -0.0216 0.0418  16 TYR D CE2 
693  C CZ  . TYR D 16 ? 0.6186 0.2657 0.2693 -0.0078 -0.0156 0.0536  16 TYR D CZ  
694  O OH  . TYR D 16 ? 0.6393 0.2770 0.2696 -0.0021 -0.0159 0.0564  16 TYR D OH  
695  N N   . LEU D 17 ? 0.5552 0.2284 0.2475 -0.0224 -0.0449 0.0467  17 LEU D N   
696  C CA  . LEU D 17 ? 0.5406 0.2021 0.2228 -0.0219 -0.0599 0.0432  17 LEU D CA  
697  C C   . LEU D 17 ? 0.5405 0.2098 0.2420 -0.0247 -0.0696 0.0522  17 LEU D C   
698  O O   . LEU D 17 ? 0.5727 0.2289 0.2661 -0.0262 -0.0832 0.0517  17 LEU D O   
699  C CB  . LEU D 17 ? 0.5418 0.1945 0.2114 -0.0203 -0.0620 0.0363  17 LEU D CB  
700  C CG  A LEU D 17 ? 0.6472 0.2880 0.2961 -0.0175 -0.0539 0.0280  17 LEU D CG  
701  C CG  B LEU D 17 ? 0.5552 0.1911 0.2137 -0.0184 -0.0760 0.0329  17 LEU D CG  
702  C CD1 A LEU D 17 ? 0.7249 0.3557 0.3627 -0.0137 -0.0597 0.0242  17 LEU D CD1 
703  C CD1 B LEU D 17 ? 0.5956 0.2086 0.2285 -0.0158 -0.0810 0.0255  17 LEU D CD1 
704  C CD2 A LEU D 17 ? 0.6344 0.2618 0.2676 -0.0146 -0.0520 0.0247  17 LEU D CD2 
705  C CD2 B LEU D 17 ? 0.6473 0.2792 0.2998 -0.0145 -0.0760 0.0308  17 LEU D CD2 
706  N N   . VAL D 18 ? 0.5250 0.2113 0.2488 -0.0259 -0.0631 0.0607  18 VAL D N   
707  C CA  . VAL D 18 ? 0.5247 0.2174 0.2693 -0.0281 -0.0695 0.0712  18 VAL D CA  
708  C C   . VAL D 18 ? 0.5553 0.2512 0.3111 -0.0293 -0.0728 0.0790  18 VAL D C   
709  O O   . VAL D 18 ? 0.5822 0.2684 0.3388 -0.0330 -0.0879 0.0818  18 VAL D O   
710  C CB  . VAL D 18 ? 0.5294 0.2377 0.2922 -0.0274 -0.0586 0.0802  18 VAL D CB  
711  C CG1 . VAL D 18 ? 0.5448 0.2599 0.3331 -0.0286 -0.0606 0.0939  18 VAL D CG1 
712  C CG2 . VAL D 18 ? 0.4772 0.1813 0.2273 -0.0259 -0.0595 0.0761  18 VAL D CG2 
713  N N   . CYS D 19 ? 0.6022 0.3088 0.3662 -0.0264 -0.0602 0.0836  19 CYS D N   
714  C CA  . CYS D 19 ? 0.6839 0.3963 0.4626 -0.0254 -0.0616 0.0956  19 CYS D CA  
715  C C   . CYS D 19 ? 0.6683 0.3655 0.4235 -0.0260 -0.0762 0.0917  19 CYS D C   
716  O O   . CYS D 19 ? 0.7193 0.4109 0.4751 -0.0292 -0.0919 0.0982  19 CYS D O   
717  C CB  . CYS D 19 ? 0.7131 0.4394 0.5098 -0.0208 -0.0423 0.1040  19 CYS D CB  
718  S SG  . CYS D 19 ? 0.5760 0.3118 0.3896 -0.0214 -0.0269 0.1075  19 CYS D SG  
719  N N   . GLY D 20 ? 0.6781 0.3660 0.4097 -0.0235 -0.0724 0.0817  20 GLY D N   
720  C CA  . GLY D 20 ? 0.7106 0.3825 0.4152 -0.0221 -0.0832 0.0790  20 GLY D CA  
721  C C   . GLY D 20 ? 0.8804 0.5644 0.5948 -0.0176 -0.0800 0.0946  20 GLY D C   
722  O O   . GLY D 20 ? 0.8487 0.5463 0.5782 -0.0125 -0.0615 0.1020  20 GLY D O   
723  N N   . GLU D 21 ? 0.8455 0.5232 0.5512 -0.0196 -0.0995 0.1009  21 GLU D N   
724  C CA  . GLU D 21 ? 0.8193 0.5107 0.5319 -0.0135 -0.0992 0.1188  21 GLU D CA  
725  C C   . GLU D 21 ? 0.7683 0.4798 0.5209 -0.0113 -0.0893 0.1358  21 GLU D C   
726  O O   . GLU D 21 ? 0.7538 0.4785 0.5185 -0.0028 -0.0813 0.1534  21 GLU D O   
727  C CB  . GLU D 21 ? 0.9085 0.5872 0.5936 -0.0165 -0.1277 0.1193  21 GLU D CB  
728  C CG  . GLU D 21 ? 0.9636 0.6261 0.6497 -0.0290 -0.1534 0.1132  21 GLU D CG  
729  C CD  . GLU D 21 ? 1.0774 0.7101 0.7371 -0.0344 -0.1608 0.0923  21 GLU D CD  
730  O OE1 . GLU D 21 ? 1.1423 0.7773 0.8142 -0.0342 -0.1445 0.0854  21 GLU D OE1 
731  O OE2 . GLU D 21 ? 1.2307 0.8383 0.8564 -0.0373 -0.1827 0.0831  21 GLU D OE2 
732  N N   . ARG D 22 ? 0.7103 0.4235 0.4830 -0.0168 -0.0876 0.1326  22 ARG D N   
733  C CA  . ARG D 22 ? 0.6405 0.3686 0.4482 -0.0131 -0.0746 0.1480  22 ARG D CA  
734  C C   . ARG D 22 ? 0.6584 0.3984 0.4847 -0.0038 -0.0451 0.1546  22 ARG D C   
735  O O   . ARG D 22 ? 0.6172 0.3636 0.4631 0.0047  -0.0320 0.1713  22 ARG D O   
736  C CB  . ARG D 22 ? 0.6272 0.3544 0.4497 -0.0201 -0.0765 0.1437  22 ARG D CB  
737  C CG  . ARG D 22 ? 0.6486 0.3676 0.4735 -0.0305 -0.1047 0.1472  22 ARG D CG  
738  C CD  . ARG D 22 ? 0.6442 0.3612 0.4833 -0.0369 -0.1042 0.1434  22 ARG D CD  
739  N NE  . ARG D 22 ? 0.6212 0.3255 0.4376 -0.0398 -0.1084 0.1266  22 ARG D NE  
740  C CZ  . ARG D 22 ? 0.6248 0.3262 0.4486 -0.0433 -0.1076 0.1232  22 ARG D CZ  
741  N NH1 . ARG D 22 ? 0.6394 0.3492 0.4914 -0.0447 -0.1015 0.1347  22 ARG D NH1 
742  N NH2 . ARG D 22 ? 0.6170 0.3059 0.4190 -0.0441 -0.1116 0.1094  22 ARG D NH2 
743  N N   . GLY D 23 ? 0.6150 0.6190 0.4641 0.2195  -0.0915 0.1110  23 GLY D N   
744  C CA  . GLY D 23 ? 0.5376 0.5493 0.3810 0.2202  -0.0700 0.1117  23 GLY D CA  
745  C C   . GLY D 23 ? 0.4932 0.5292 0.3711 0.2105  -0.0646 0.1172  23 GLY D C   
746  O O   . GLY D 23 ? 0.4567 0.5030 0.3643 0.2030  -0.0776 0.1226  23 GLY D O   
747  N N   . PHE D 24 ? 0.4521 0.4955 0.3248 0.2119  -0.0455 0.1167  24 PHE D N   
748  C CA  . PHE D 24 ? 0.4672 0.5322 0.3620 0.2064  -0.0370 0.1208  24 PHE D CA  
749  C C   . PHE D 24 ? 0.4806 0.5500 0.3669 0.2122  -0.0249 0.1194  24 PHE D C   
750  O O   . PHE D 24 ? 0.4406 0.4942 0.3056 0.2184  -0.0209 0.1164  24 PHE D O   
751  C CB  . PHE D 24 ? 0.4535 0.5222 0.3539 0.2007  -0.0275 0.1214  24 PHE D CB  
752  C CG  . PHE D 24 ? 0.4083 0.4683 0.2917 0.2041  -0.0138 0.1165  24 PHE D CG  
753  C CD1 . PHE D 24 ? 0.4207 0.4651 0.2901 0.2076  -0.0148 0.1134  24 PHE D CD1 
754  C CD2 . PHE D 24 ? 0.3975 0.4647 0.2805 0.2051  -0.0015 0.1159  24 PHE D CD2 
755  C CE1 . PHE D 24 ? 0.4201 0.4593 0.2792 0.2116  -0.0016 0.1119  24 PHE D CE1 
756  C CE2 . PHE D 24 ? 0.3971 0.4567 0.2721 0.2072  0.0074  0.1140  24 PHE D CE2 
757  C CZ  . PHE D 24 ? 0.4071 0.4544 0.2722 0.2102  0.0085  0.1131  24 PHE D CZ  
758  N N   . PHE D 25 ? 0.4741 0.5631 0.3758 0.2114  -0.0196 0.1229  25 PHE D N   
759  C CA  . PHE D 25 ? 0.4464 0.5399 0.3411 0.2179  -0.0093 0.1211  25 PHE D CA  
760  C C   . PHE D 25 ? 0.5775 0.6809 0.4743 0.2151  0.0028  0.1213  25 PHE D C   
761  O O   . PHE D 25 ? 0.5498 0.6701 0.4596 0.2128  0.0046  0.1272  25 PHE D O   
762  C CB  . PHE D 25 ? 0.4740 0.5821 0.3815 0.2243  -0.0154 0.1244  25 PHE D CB  
763  C CG  . PHE D 25 ? 0.5000 0.5935 0.3964 0.2333  -0.0245 0.1212  25 PHE D CG  
764  C CD1 . PHE D 25 ? 0.5078 0.5911 0.3885 0.2409  -0.0177 0.1178  25 PHE D CD1 
765  C CD2 . PHE D 25 ? 0.6073 0.6944 0.5092 0.2350  -0.0434 0.1223  25 PHE D CD2 
766  C CE1 . PHE D 25 ? 0.5212 0.5871 0.3906 0.2501  -0.0276 0.1169  25 PHE D CE1 
767  C CE2 . PHE D 25 ? 0.6146 0.6860 0.5037 0.2450  -0.0539 0.1206  25 PHE D CE2 
768  C CZ  . PHE D 25 ? 0.5692 0.6294 0.4413 0.2526  -0.0452 0.1185  25 PHE D CZ  
769  N N   . TYR D 26 ? 0.4685 0.5604 0.3536 0.2160  0.0091  0.1166  26 TYR D N   
770  C CA  . TYR D 26 ? 0.5018 0.5996 0.3882 0.2148  0.0146  0.1156  26 TYR D CA  
771  C C   . TYR D 26 ? 0.4801 0.5810 0.3591 0.2234  0.0173  0.1130  26 TYR D C   
772  O O   . TYR D 26 ? 0.4734 0.5595 0.3432 0.2277  0.0156  0.1096  26 TYR D O   
773  C CB  . TYR D 26 ? 0.4240 0.5085 0.3075 0.2112  0.0150  0.1129  26 TYR D CB  
774  C CG  . TYR D 26 ? 0.4185 0.5068 0.3052 0.2106  0.0139  0.1113  26 TYR D CG  
775  C CD1 . TYR D 26 ? 0.3935 0.4907 0.2869 0.2075  0.0117  0.1141  26 TYR D CD1 
776  C CD2 . TYR D 26 ? 0.4484 0.5277 0.3314 0.2137  0.0110  0.1080  26 TYR D CD2 
777  C CE1 . TYR D 26 ? 0.4170 0.5145 0.3100 0.2090  0.0066  0.1126  26 TYR D CE1 
778  C CE2 . TYR D 26 ? 0.4924 0.5729 0.3782 0.2144  0.0040  0.1055  26 TYR D CE2 
779  C CZ  . TYR D 26 ? 0.4626 0.5524 0.3517 0.2127  0.0018  0.1073  26 TYR D CZ  
780  O OH  . TYR D 26 ? 0.5022 0.5907 0.3913 0.2155  -0.0089 0.1048  26 TYR D OH  
781  N N   . THR D 27 ? 0.4652 0.5831 0.3463 0.2274  0.0209  0.1160  27 THR D N   
782  C CA  . THR D 27 ? 0.4737 0.5952 0.3434 0.2392  0.0235  0.1126  27 THR D CA  
783  C C   . THR D 27 ? 0.5233 0.6477 0.3856 0.2420  0.0240  0.1113  27 THR D C   
784  O O   . THR D 27 ? 0.5192 0.6598 0.3840 0.2439  0.0291  0.1188  27 THR D O   
785  C CB  . THR D 27 ? 0.4436 0.5846 0.3185 0.2473  0.0277  0.1185  27 THR D CB  
786  O OG1 . THR D 27 ? 0.4484 0.6068 0.3404 0.2404  0.0298  0.1294  27 THR D OG1 
787  C CG2 . THR D 27 ? 0.4349 0.5672 0.3122 0.2499  0.0212  0.1164  27 THR D CG2 
788  N N   . PRO D 28 ? 0.6006 0.7084 0.4547 0.2429  0.0165  0.1036  28 PRO D N   
789  C CA  . PRO D 28 ? 0.6807 0.7880 0.5259 0.2471  0.0109  0.1011  28 PRO D CA  
790  C C   . PRO D 28 ? 0.8178 0.9334 0.6435 0.2641  0.0148  0.0991  28 PRO D C   
791  O O   . PRO D 28 ? 0.7922 0.9143 0.6134 0.2730  0.0214  0.0988  28 PRO D O   
792  C CB  . PRO D 28 ? 0.6844 0.7716 0.5322 0.2435  -0.0028 0.0938  28 PRO D CB  
793  C CG  . PRO D 28 ? 0.6544 0.7303 0.5039 0.2439  -0.0017 0.0924  28 PRO D CG  
794  C CD  . PRO D 28 ? 0.5468 0.6339 0.4013 0.2402  0.0098  0.0988  28 PRO D CD  
795  N N   . LYS D 29 ? 1.0382 1.1528 0.8500 0.2705  0.0093  0.0981  29 LYS D N   
796  C CA  . LYS D 29 ? 1.1210 1.2456 0.9020 0.2970  0.0159  0.0967  29 LYS D CA  
797  C C   . LYS D 29 ? 1.1698 1.2827 0.9286 0.3162  0.0107  0.0824  29 LYS D C   
798  O O   . LYS D 29 ? 1.2175 1.3400 0.9467 0.3448  0.0194  0.0787  29 LYS D O   
799  C CB  . LYS D 29 ? 1.2280 1.3467 0.9900 0.3029  0.0068  0.0975  29 LYS D CB  
800  C CG  . LYS D 29 ? 1.2643 1.3601 1.0231 0.2991  -0.0172 0.0847  29 LYS D CG  
801  C CD  . LYS D 29 ? 1.3432 1.4286 1.0619 0.3283  -0.0269 0.0695  29 LYS D CD  
802  C CE  . LYS D 29 ? 1.3607 1.4251 1.0858 0.3253  -0.0541 0.0553  29 LYS D CE  
803  N NZ  . LYS D 29 ? 1.3949 1.4438 1.0764 0.3561  -0.0706 0.0359  29 LYS D NZ  
804  O OXT . LYS D 29 ? 1.1601 1.2530 0.9296 0.3062  -0.0027 0.0749  29 LYS D OXT 
805  N N   . GLY E 1  ? 0.4324 0.5422 0.7816 0.0148  0.1148  -0.0054 1  GLY E N   
806  C CA  . GLY E 1  ? 0.4092 0.5123 0.7510 0.0119  0.1173  -0.0074 1  GLY E CA  
807  C C   . GLY E 1  ? 0.4471 0.5416 0.7802 0.0112  0.1172  -0.0074 1  GLY E C   
808  O O   . GLY E 1  ? 0.4209 0.5144 0.7530 0.0127  0.1148  -0.0058 1  GLY E O   
809  N N   . ILE E 2  ? 0.4748 0.5635 0.8019 0.0088  0.1198  -0.0090 2  ILE E N   
810  C CA  . ILE E 2  ? 0.5184 0.5995 0.8377 0.0078  0.1198  -0.0089 2  ILE E CA  
811  C C   . ILE E 2  ? 0.5103 0.5904 0.8252 0.0068  0.1152  -0.0075 2  ILE E C   
812  O O   . ILE E 2  ? 0.5432 0.6189 0.8541 0.0072  0.1139  -0.0065 2  ILE E O   
813  C CB  . ILE E 2  ? 0.4344 0.5105 0.7496 0.0052  0.1240  -0.0108 2  ILE E CB  
814  C CG1 . ILE E 2  ? 0.4344 0.5027 0.7441 0.0041  0.1247  -0.0106 2  ILE E CG1 
815  C CG2 . ILE E 2  ? 0.3750 0.4534 0.6881 0.0027  0.1230  -0.0113 2  ILE E CG2 
816  C CD1 . ILE E 2  ? 0.3830 0.4465 0.6894 0.0013  0.1293  -0.0124 2  ILE E CD1 
817  N N   . VAL E 3  ? 0.5323 0.6162 0.8479 0.0055  0.1131  -0.0075 3  VAL E N   
818  C CA  . VAL E 3  ? 0.5981 0.6805 0.9097 0.0045  0.1095  -0.0065 3  VAL E CA  
819  C C   . VAL E 3  ? 0.5909 0.6756 0.9043 0.0066  0.1066  -0.0049 3  VAL E C   
820  O O   . VAL E 3  ? 0.6755 0.7559 0.9846 0.0065  0.1048  -0.0038 3  VAL E O   
821  C CB  . VAL E 3  ? 0.5697 0.6556 0.8822 0.0025  0.1084  -0.0071 3  VAL E CB  
822  C CG1 . VAL E 3  ? 0.6039 0.6866 0.9119 0.0012  0.1057  -0.0064 3  VAL E CG1 
823  C CG2 . VAL E 3  ? 0.5185 0.6033 0.8304 0.0007  0.1116  -0.0086 3  VAL E CG2 
824  N N   . GLU E 4  ? 0.3757 0.4677 0.6959 0.0085  0.1060  -0.0045 4  GLU E N   
825  C CA  . GLU E 4  ? 0.4703 0.5659 0.7928 0.0106  0.1032  -0.0027 4  GLU E CA  
826  C C   . GLU E 4  ? 0.5089 0.5996 0.8302 0.0126  0.1042  -0.0017 4  GLU E C   
827  O O   . GLU E 4  ? 0.5322 0.6234 0.8531 0.0139  0.1019  -0.0001 4  GLU E O   
828  C CB  . GLU E 4  ? 0.4709 0.5766 0.8021 0.0122  0.1023  -0.0022 4  GLU E CB  
829  C CG  . GLU E 4  ? 0.4998 0.6117 0.8328 0.0101  0.1008  -0.0029 4  GLU E CG  
830  C CD  . GLU E 4  ? 0.4939 0.6125 0.8348 0.0106  0.1024  -0.0035 4  GLU E CD  
831  O OE1 . GLU E 4  ? 0.4898 0.6050 0.8319 0.0112  0.1060  -0.0044 4  GLU E OE1 
832  O OE2 . GLU E 4  ? 0.4878 0.6154 0.8340 0.0103  0.1002  -0.0031 4  GLU E OE2 
833  N N   . GLN E 5  ? 0.6062 0.6922 0.9268 0.0127  0.1078  -0.0028 5  GLN E N   
834  C CA  . GLN E 5  ? 0.6266 0.7076 0.9473 0.0144  0.1097  -0.0021 5  GLN E CA  
835  C C   . GLN E 5  ? 0.6180 0.6903 0.9314 0.0126  0.1104  -0.0024 5  GLN E C   
836  O O   . GLN E 5  ? 0.6161 0.6845 0.9285 0.0136  0.1098  -0.0011 5  GLN E O   
837  C CB  . GLN E 5  ? 0.6978 0.7790 1.0243 0.0157  0.1143  -0.0033 5  GLN E CB  
838  C CG  . GLN E 5  ? 0.6855 0.7586 1.0108 0.0161  0.1182  -0.0038 5  GLN E CG  
839  C CD  . GLN E 5  ? 0.6733 0.7456 1.0021 0.0189  0.1176  -0.0018 5  GLN E CD  
840  O OE1 . GLN E 5  ? 0.6767 0.7524 1.0059 0.0199  0.1134  0.0003  5  GLN E OE1 
841  N NE2 . GLN E 5  ? 0.7291 0.7966 1.0608 0.0201  0.1221  -0.0023 5  GLN E NE2 
842  N N   . CYS E 6  ? 0.4131 0.4825 0.7221 0.0100  0.1116  -0.0038 6  CYS E N   
843  C CA  . CYS E 6  ? 0.4132 0.4750 0.7168 0.0082  0.1127  -0.0039 6  CYS E CA  
844  C C   . CYS E 6  ? 0.3757 0.4358 0.6739 0.0063  0.1093  -0.0030 6  CYS E C   
845  O O   . CYS E 6  ? 0.3743 0.4287 0.6691 0.0053  0.1094  -0.0024 6  CYS E O   
846  C CB  . CYS E 6  ? 0.3482 0.4072 0.6515 0.0065  0.1173  -0.0060 6  CYS E CB  
847  S SG  . CYS E 6  ? 0.3852 0.4426 0.6943 0.0085  0.1228  -0.0073 6  CYS E SG  
848  N N   . CYS E 7  ? 0.3514 0.4160 0.6501 0.0058  0.1070  -0.0029 7  CYS E N   
849  C CA  . CYS E 7  ? 0.4140 0.4759 0.7091 0.0043  0.1045  -0.0020 7  CYS E CA  
850  C C   . CYS E 7  ? 0.4883 0.5500 0.7834 0.0056  0.1020  -0.0005 7  CYS E C   
851  O O   . CYS E 7  ? 0.4692 0.5266 0.7611 0.0047  0.1006  0.0005  7  CYS E O   
852  C CB  . CYS E 7  ? 0.3920 0.4574 0.6884 0.0027  0.1041  -0.0029 7  CYS E CB  
853  S SG  . CYS E 7  ? 0.3449 0.4090 0.6397 0.0004  0.1069  -0.0042 7  CYS E SG  
854  N N   . THR E 8  ? 0.4833 0.5500 0.7824 0.0078  0.1014  -0.0001 8  THR E N   
855  C CA  . THR E 8  ? 0.4757 0.5432 0.7747 0.0090  0.0991  0.0014  8  THR E CA  
856  C C   . THR E 8  ? 0.4934 0.5552 0.7909 0.0101  0.0997  0.0027  8  THR E C   
857  O O   . THR E 8  ? 0.4329 0.4915 0.7281 0.0100  0.0983  0.0040  8  THR E O   
858  C CB  . THR E 8  ? 0.7501 0.8263 1.0548 0.0108  0.0979  0.0017  8  THR E CB  
859  O OG1 . THR E 8  ? 0.6909 0.7677 1.0001 0.0132  0.0997  0.0021  8  THR E OG1 
860  C CG2 . THR E 8  ? 0.7919 0.8738 1.0995 0.0096  0.0981  0.0003  8  THR E CG2 
861  N N   . SER E 9  ? 0.3857 0.4457 0.6852 0.0110  0.1023  0.0022  9  SER E N   
862  C CA  . SER E 9  ? 0.3467 0.4005 0.6458 0.0118  0.1037  0.0031  9  SER E CA  
863  C C   . SER E 9  ? 0.3573 0.4061 0.6548 0.0102  0.1069  0.0017  9  SER E C   
864  O O   . SER E 9  ? 0.3643 0.4154 0.6628 0.0095  0.1088  0.0001  9  SER E O   
865  C CB  . SER E 9  ? 0.3552 0.4116 0.6599 0.0147  0.1046  0.0040  9  SER E CB  
866  O OG  . SER E 9  ? 0.3169 0.3671 0.6214 0.0154  0.1062  0.0049  9  SER E OG  
867  N N   . ILE E 10 ? 0.3034 0.3458 0.5989 0.0096  0.1077  0.0025  10 ILE E N   
868  C CA  . ILE E 10 ? 0.2924 0.3301 0.5867 0.0078  0.1109  0.0012  10 ILE E CA  
869  C C   . ILE E 10 ? 0.2989 0.3364 0.5972 0.0088  0.1153  -0.0004 10 ILE E C   
870  O O   . ILE E 10 ? 0.2784 0.3132 0.5791 0.0103  0.1169  0.0000  10 ILE E O   
871  C CB  . ILE E 10 ? 0.3342 0.3656 0.6264 0.0069  0.1106  0.0026  10 ILE E CB  
872  C CG1 . ILE E 10 ? 0.3935 0.4246 0.6824 0.0059  0.1068  0.0042  10 ILE E CG1 
873  C CG2 . ILE E 10 ? 0.3160 0.3434 0.6081 0.0048  0.1144  0.0012  10 ILE E CG2 
874  C CD1 . ILE E 10 ? 0.4401 0.4654 0.7279 0.0050  0.1063  0.0059  10 ILE E CD1 
875  N N   . CYS E 11 ? 0.2920 0.3321 0.5912 0.0079  0.1177  -0.0024 11 CYS E N   
876  C CA  . CYS E 11 ? 0.3512 0.3905 0.6543 0.0087  0.1227  -0.0043 11 CYS E CA  
877  C C   . CYS E 11 ? 0.3500 0.3821 0.6518 0.0069  0.1273  -0.0057 11 CYS E C   
878  O O   . CYS E 11 ? 0.3109 0.3406 0.6091 0.0042  0.1272  -0.0059 11 CYS E O   
879  C CB  . CYS E 11 ? 0.4173 0.4610 0.7218 0.0080  0.1244  -0.0061 11 CYS E CB  
880  S SG  . CYS E 11 ? 0.4344 0.4871 0.7439 0.0108  0.1215  -0.0052 11 CYS E SG  
881  N N   . SER E 12 ? 0.3217 0.3505 0.6270 0.0082  0.1314  -0.0066 12 SER E N   
882  C CA  . SER E 12 ? 0.3142 0.3360 0.6188 0.0062  0.1369  -0.0086 12 SER E CA  
883  C C   . SER E 12 ? 0.3296 0.3507 0.6336 0.0038  0.1424  -0.0119 12 SER E C   
884  O O   . SER E 12 ? 0.3316 0.3577 0.6367 0.0042  0.1420  -0.0124 12 SER E O   
885  C CB  . SER E 12 ? 0.2810 0.2989 0.5895 0.0083  0.1401  -0.0087 12 SER E CB  
886  O OG  . SER E 12 ? 0.2801 0.2906 0.5878 0.0060  0.1465  -0.0113 12 SER E OG  
887  N N   . LEU E 13 ? 0.3468 0.2994 0.4165 0.0554  0.1107  -0.1530 13 LEU E N   
888  C CA  . LEU E 13 ? 0.3503 0.2996 0.4208 0.0706  0.1149  -0.1415 13 LEU E CA  
889  C C   . LEU E 13 ? 0.3553 0.2928 0.4452 0.0776  0.1296  -0.1242 13 LEU E C   
890  O O   . LEU E 13 ? 0.3528 0.2910 0.4565 0.0887  0.1321  -0.1104 13 LEU E O   
891  C CB  . LEU E 13 ? 0.3620 0.3121 0.4052 0.0717  0.1147  -0.1471 13 LEU E CB  
892  C CG  . LEU E 13 ? 0.3592 0.3194 0.3886 0.0684  0.1028  -0.1570 13 LEU E CG  
893  C CD1 . LEU E 13 ? 0.3477 0.3160 0.3956 0.0749  0.0950  -0.1559 13 LEU E CD1 
894  C CD2 . LEU E 13 ? 0.4150 0.3797 0.4365 0.0538  0.0956  -0.1672 13 LEU E CD2 
895  N N   . TYR E 14 ? 0.3747 0.3007 0.4684 0.0710  0.1399  -0.1222 14 TYR E N   
896  C CA  . TYR E 14 ? 0.4247 0.3372 0.5434 0.0784  0.1547  -0.1007 14 TYR E CA  
897  C C   . TYR E 14 ? 0.4179 0.3353 0.5659 0.0810  0.1499  -0.0807 14 TYR E C   
898  O O   . TYR E 14 ? 0.3583 0.2739 0.5266 0.0916  0.1545  -0.0573 14 TYR E O   
899  C CB  . TYR E 14 ? 0.4051 0.3018 0.5254 0.0707  0.1666  -0.1015 14 TYR E CB  
900  C CG  . TYR E 14 ? 0.4093 0.2910 0.5496 0.0798  0.1817  -0.0813 14 TYR E CG  
901  C CD1 . TYR E 14 ? 0.4395 0.3224 0.5691 0.0858  0.1854  -0.0822 14 TYR E CD1 
902  C CD2 . TYR E 14 ? 0.4245 0.2934 0.5965 0.0805  0.1902  -0.0601 14 TYR E CD2 
903  C CE1 . TYR E 14 ? 0.4431 0.3142 0.5924 0.0919  0.1995  -0.0674 14 TYR E CE1 
904  C CE2 . TYR E 14 ? 0.4208 0.2766 0.6169 0.0899  0.2036  -0.0410 14 TYR E CE2 
905  C CZ  . TYR E 14 ? 0.4326 0.2904 0.6152 0.0943  0.2081  -0.0468 14 TYR E CZ  
906  O OH  . TYR E 14 ? 0.4484 0.2961 0.6545 0.1006  0.2211  -0.0315 14 TYR E OH  
907  N N   . GLN E 15 ? 0.3546 0.2846 0.4989 0.0663  0.1333  -0.0857 15 GLN E N   
908  C CA  . GLN E 15 ? 0.3383 0.2802 0.5006 0.0610  0.1195  -0.0637 15 GLN E CA  
909  C C   . GLN E 15 ? 0.3287 0.2767 0.4992 0.0736  0.1144  -0.0587 15 GLN E C   
910  O O   . GLN E 15 ? 0.3248 0.2772 0.5143 0.0767  0.1104  -0.0332 15 GLN E O   
911  C CB  . GLN E 15 ? 0.3773 0.3334 0.5313 0.0393  0.1050  -0.0760 15 GLN E CB  
912  C CG  . GLN E 15 ? 0.4075 0.3660 0.5663 0.0217  0.1024  -0.0585 15 GLN E CG  
913  C CD  . GLN E 15 ? 0.4074 0.3832 0.5530 -0.0035 0.0899  -0.0755 15 GLN E CD  
914  O OE1 . GLN E 15 ? 0.3579 0.3376 0.4863 -0.0073 0.0891  -0.1074 15 GLN E OE1 
915  N NE2 . GLN E 15 ? 0.4676 0.4566 0.6221 -0.0221 0.0803  -0.0544 15 GLN E NE2 
916  N N   . LEU E 16 ? 0.3259 0.2756 0.4834 0.0800  0.1135  -0.0810 16 LEU E N   
917  C CA  . LEU E 16 ? 0.3501 0.3051 0.5158 0.0910  0.1073  -0.0746 16 LEU E CA  
918  C C   . LEU E 16 ? 0.3587 0.3078 0.5324 0.1055  0.1201  -0.0551 16 LEU E C   
919  O O   . LEU E 16 ? 0.3702 0.3248 0.5552 0.1123  0.1145  -0.0401 16 LEU E O   
920  C CB  . LEU E 16 ? 0.3244 0.2843 0.4773 0.0938  0.1022  -0.1004 16 LEU E CB  
921  C CG  . LEU E 16 ? 0.3102 0.2794 0.4613 0.0813  0.0891  -0.1223 16 LEU E CG  
922  C CD1 . LEU E 16 ? 0.3098 0.2856 0.4524 0.0856  0.0801  -0.1377 16 LEU E CD1 
923  C CD2 . LEU E 16 ? 0.3422 0.3182 0.5106 0.0724  0.0768  -0.1097 16 LEU E CD2 
924  N N   . GLU E 17 ? 0.3380 0.2763 0.5067 0.1091  0.1374  -0.0560 17 GLU E N   
925  C CA  . GLU E 17 ? 0.3625 0.2992 0.5346 0.1174  0.1467  -0.0395 17 GLU E CA  
926  C C   . GLU E 17 ? 0.3439 0.2819 0.5469 0.1223  0.1482  -0.0093 17 GLU E C   
927  O O   . GLU E 17 ? 0.3489 0.2900 0.5581 0.1287  0.1534  0.0051  17 GLU E O   
928  C CB  . GLU E 17 ? 0.3883 0.3154 0.5455 0.1143  0.1594  -0.0483 17 GLU E CB  
929  C CG  . GLU E 17 ? 0.4055 0.3365 0.5314 0.1098  0.1566  -0.0733 17 GLU E CG  
930  C CD  . GLU E 17 ? 0.4600 0.3874 0.5749 0.1099  0.1694  -0.0774 17 GLU E CD  
931  O OE1 . GLU E 17 ? 0.5371 0.4519 0.6603 0.1078  0.1803  -0.0726 17 GLU E OE1 
932  O OE2 . GLU E 17 ? 0.4517 0.3888 0.5524 0.1119  0.1698  -0.0855 17 GLU E OE2 
933  N N   . ASN E 18 ? 0.3918 0.3325 0.6077 0.1135  0.1386  0.0013  18 ASN E N   
934  C CA  . ASN E 18 ? 0.4227 0.3704 0.6645 0.1133  0.1340  0.0329  18 ASN E CA  
935  C C   . ASN E 18 ? 0.4233 0.3825 0.6718 0.1174  0.1238  0.0445  18 ASN E C   
936  O O   . ASN E 18 ? 0.4965 0.4628 0.7666 0.1198  0.1227  0.0714  18 ASN E O   
937  C CB  . ASN E 18 ? 0.3688 0.3224 0.6144 0.0957  0.1212  0.0405  18 ASN E CB  
938  C CG  . ASN E 18 ? 0.3722 0.3146 0.6166 0.0905  0.1303  0.0376  18 ASN E CG  
939  O OD1 . ASN E 18 ? 0.3522 0.2816 0.6057 0.1021  0.1478  0.0408  18 ASN E OD1 
940  N ND2 . ASN E 18 ? 0.3939 0.3418 0.6280 0.0716  0.1191  0.0309  18 ASN E ND2 
941  N N   . TYR E 19 ? 0.3368 0.2985 0.5697 0.1180  0.1157  0.0264  19 TYR E N   
942  C CA  . TYR E 19 ? 0.3981 0.3687 0.6380 0.1203  0.1040  0.0372  19 TYR E CA  
943  C C   . TYR E 19 ? 0.3918 0.3627 0.6253 0.1325  0.1111  0.0347  19 TYR E C   
944  O O   . TYR E 19 ? 0.3136 0.2906 0.5497 0.1339  0.0999  0.0406  19 TYR E O   
945  C CB  . TYR E 19 ? 0.4276 0.4024 0.6619 0.1092  0.0859  0.0220  19 TYR E CB  
946  C CG  . TYR E 19 ? 0.3772 0.3560 0.6141 0.0927  0.0792  0.0218  19 TYR E CG  
947  C CD1 . TYR E 19 ? 0.4128 0.4009 0.6662 0.0842  0.0726  0.0466  19 TYR E CD1 
948  C CD2 . TYR E 19 ? 0.4186 0.3951 0.6407 0.0833  0.0793  -0.0025 19 TYR E CD2 
949  C CE1 . TYR E 19 ? 0.4191 0.4150 0.6730 0.0655  0.0658  0.0480  19 TYR E CE1 
950  C CE2 . TYR E 19 ? 0.3666 0.3502 0.5891 0.0649  0.0730  -0.0022 19 TYR E CE2 
951  C CZ  . TYR E 19 ? 0.3620 0.3558 0.5999 0.0553  0.0660  0.0235  19 TYR E CZ  
952  O OH  . TYR E 19 ? 0.4148 0.4196 0.6513 0.0335  0.0589  0.0253  19 TYR E OH  
953  N N   . CYS E 20 ? 0.3278 0.2930 0.5517 0.1389  0.1288  0.0261  20 CYS E N   
954  C CA  . CYS E 20 ? 0.3365 0.3067 0.5516 0.1453  0.1360  0.0262  20 CYS E CA  
955  C C   . CYS E 20 ? 0.3550 0.3314 0.5866 0.1488  0.1427  0.0513  20 CYS E C   
956  O O   . CYS E 20 ? 0.3757 0.3509 0.6229 0.1463  0.1443  0.0666  20 CYS E O   
957  C CB  . CYS E 20 ? 0.3746 0.3395 0.5669 0.1439  0.1501  0.0044  20 CYS E CB  
958  S SG  . CYS E 20 ? 0.4482 0.4091 0.6180 0.1375  0.1426  -0.0262 20 CYS E SG  
959  N N   . ASN E 21 ? 0.3477 0.3332 0.5779 0.1547  0.1471  0.0566  21 ASN E N   
960  C CA  . ASN E 21 ? 0.4188 0.4132 0.6644 0.1579  0.1552  0.0783  21 ASN E CA  
961  C C   . ASN E 21 ? 0.3677 0.3578 0.6110 0.1583  0.1769  0.0712  21 ASN E C   
962  O O   . ASN E 21 ? 0.3732 0.3663 0.6343 0.1593  0.1846  0.0872  21 ASN E O   
963  C CB  . ASN E 21 ? 0.3932 0.4016 0.6400 0.1632  0.1522  0.0883  21 ASN E CB  
964  C CG  . ASN E 21 ? 0.4060 0.4171 0.6588 0.1583  0.1270  0.1017  21 ASN E CG  
965  O OD1 . ASN E 21 ? 0.4075 0.4167 0.6757 0.1552  0.1188  0.1141  21 ASN E OD1 
966  N ND2 . ASN E 21 ? 0.4333 0.4493 0.6743 0.1558  0.1141  0.0996  21 ASN E ND2 
967  O OXT . ASN E 21 ? 0.3780 0.3616 0.6027 0.1565  0.1866  0.0488  21 ASN E OXT 
968  N N   . PHE F 1  ? 0.7978 1.0218 0.7850 -0.1118 0.1071  -0.1329 1  PHE F N   
969  C CA  . PHE F 1  ? 0.6446 0.8659 0.6281 -0.0992 0.1037  -0.1199 1  PHE F CA  
970  C C   . PHE F 1  ? 0.5851 0.7756 0.5698 -0.0860 0.1077  -0.1098 1  PHE F C   
971  O O   . PHE F 1  ? 0.5393 0.7214 0.5271 -0.0787 0.1033  -0.1026 1  PHE F O   
972  C CB  . PHE F 1  ? 0.6218 0.8666 0.6047 -0.0942 0.0910  -0.1105 1  PHE F CB  
973  C CG  . PHE F 1  ? 0.6229 0.8799 0.5998 -0.0918 0.0872  -0.1029 1  PHE F CG  
974  C CD1 . PHE F 1  ? 0.7197 0.9657 0.6929 -0.0899 0.0948  -0.1025 1  PHE F CD1 
975  C CD2 . PHE F 1  ? 0.6095 0.8916 0.5842 -0.0912 0.0769  -0.0953 1  PHE F CD2 
976  C CE1 . PHE F 1  ? 0.6623 0.9242 0.6299 -0.0894 0.0915  -0.0958 1  PHE F CE1 
977  C CE2 . PHE F 1  ? 0.6778 0.9728 0.6464 -0.0918 0.0733  -0.0878 1  PHE F CE2 
978  C CZ  . PHE F 1  ? 0.6961 0.9823 0.6613 -0.0919 0.0803  -0.0887 1  PHE F CZ  
979  N N   . VAL F 2  ? 0.5558 0.7320 0.5375 -0.0822 0.1167  -0.1092 2  VAL F N   
980  C CA  . VAL F 2  ? 0.6137 0.7652 0.5962 -0.0697 0.1205  -0.0989 2  VAL F CA  
981  C C   . VAL F 2  ? 0.5927 0.7476 0.5738 -0.0589 0.1114  -0.0840 2  VAL F C   
982  O O   . VAL F 2  ? 0.4568 0.5957 0.4394 -0.0508 0.1098  -0.0753 2  VAL F O   
983  C CB  . VAL F 2  ? 0.5776 0.7187 0.5569 -0.0658 0.1333  -0.1011 2  VAL F CB  
984  C CG1 . VAL F 2  ? 0.5352 0.6601 0.5149 -0.0509 0.1354  -0.0876 2  VAL F CG1 
985  C CG2 . VAL F 2  ? 0.5462 0.6743 0.5259 -0.0762 0.1444  -0.1153 2  VAL F CG2 
986  N N   . ASN F 3  ? 0.5803 0.7563 0.5577 -0.0602 0.1057  -0.0813 3  ASN F N   
987  C CA  . ASN F 3  ? 0.4828 0.6621 0.4581 -0.0533 0.0971  -0.0683 3  ASN F CA  
988  C C   . ASN F 3  ? 0.5070 0.6806 0.4848 -0.0501 0.0908  -0.0647 3  ASN F C   
989  O O   . ASN F 3  ? 0.4452 0.6062 0.4220 -0.0417 0.0883  -0.0545 3  ASN F O   
990  C CB  . ASN F 3  ? 0.5933 0.7999 0.5639 -0.0593 0.0911  -0.0672 3  ASN F CB  
991  C CG  . ASN F 3  ? 0.6829 0.8958 0.6499 -0.0576 0.0952  -0.0630 3  ASN F CG  
992  O OD1 . ASN F 3  ? 0.7144 0.9260 0.6798 -0.0528 0.0913  -0.0519 3  ASN F OD1 
993  N ND2 . ASN F 3  ? 0.7528 0.9749 0.7183 -0.0619 0.1039  -0.0723 3  ASN F ND2 
994  N N   . GLN F 4  ? 0.4969 0.6820 0.4779 -0.0566 0.0891  -0.0734 4  GLN F N   
995  C CA  . GLN F 4  ? 0.5671 0.7521 0.5510 -0.0517 0.0849  -0.0705 4  GLN F CA  
996  C C   . GLN F 4  ? 0.4937 0.6536 0.4803 -0.0458 0.0896  -0.0679 4  GLN F C   
997  O O   . GLN F 4  ? 0.5106 0.6632 0.4968 -0.0371 0.0874  -0.0602 4  GLN F O   
998  C CB  . GLN F 4  ? 0.5045 0.7123 0.4921 -0.0606 0.0831  -0.0814 4  GLN F CB  
999  C CG  . GLN F 4  ? 0.5357 0.7527 0.5267 -0.0538 0.0793  -0.0784 4  GLN F CG  
1000 C CD  . GLN F 4  ? 0.5483 0.7976 0.5425 -0.0620 0.0759  -0.0876 4  GLN F CD  
1001 O OE1 . GLN F 4  ? 0.5308 0.8009 0.5223 -0.0706 0.0727  -0.0915 4  GLN F OE1 
1002 N NE2 . GLN F 4  ? 0.5478 0.8052 0.5476 -0.0602 0.0768  -0.0914 4  GLN F NE2 
1003 N N   . HIS F 5  ? 0.3695 0.5162 0.3580 -0.0507 0.0969  -0.0743 5  HIS F N   
1004 C CA  . HIS F 5  ? 0.3672 0.4919 0.3574 -0.0466 0.1012  -0.0714 5  HIS F CA  
1005 C C   . HIS F 5  ? 0.2920 0.4036 0.2785 -0.0357 0.0998  -0.0583 5  HIS F C   
1006 O O   . HIS F 5  ? 0.3627 0.4629 0.3492 -0.0301 0.0992  -0.0527 5  HIS F O   
1007 C CB  . HIS F 5  ? 0.3643 0.4768 0.3561 -0.0547 0.1105  -0.0806 5  HIS F CB  
1008 C CG  . HIS F 5  ? 0.4060 0.4986 0.3997 -0.0542 0.1150  -0.0797 5  HIS F CG  
1009 N ND1 . HIS F 5  ? 0.3987 0.4718 0.3904 -0.0481 0.1194  -0.0728 5  HIS F ND1 
1010 C CD2 . HIS F 5  ? 0.4012 0.4932 0.3981 -0.0595 0.1161  -0.0848 5  HIS F CD2 
1011 C CE1 . HIS F 5  ? 0.4199 0.4787 0.4130 -0.0505 0.1228  -0.0737 5  HIS F CE1 
1012 N NE2 . HIS F 5  ? 0.4893 0.5593 0.4854 -0.0576 0.1212  -0.0812 5  HIS F NE2 
1013 N N   . LEU F 6  ? 0.3729 0.4888 0.3559 -0.0335 0.0997  -0.0539 6  LEU F N   
1014 C CA  . LEU F 6  ? 0.3532 0.4609 0.3329 -0.0248 0.0986  -0.0420 6  LEU F CA  
1015 C C   . LEU F 6  ? 0.4063 0.5145 0.3828 -0.0207 0.0919  -0.0346 6  LEU F C   
1016 O O   . LEU F 6  ? 0.4117 0.5077 0.3863 -0.0146 0.0914  -0.0273 6  LEU F O   
1017 C CB  . LEU F 6  ? 0.3893 0.5063 0.3666 -0.0244 0.1014  -0.0397 6  LEU F CB  
1018 C CG  . LEU F 6  ? 0.3898 0.5054 0.3688 -0.0250 0.1111  -0.0458 6  LEU F CG  
1019 C CD1 . LEU F 6  ? 0.4013 0.5283 0.3779 -0.0206 0.1157  -0.0407 6  LEU F CD1 
1020 C CD2 . LEU F 6  ? 0.3706 0.4680 0.3521 -0.0211 0.1157  -0.0447 6  LEU F CD2 
1021 N N   . CYS F 7  ? 0.4507 0.5738 0.4259 -0.0239 0.0873  -0.0365 7  CYS F N   
1022 C CA  . CYS F 7  ? 0.3184 0.4398 0.2892 -0.0191 0.0830  -0.0294 7  CYS F CA  
1023 C C   . CYS F 7  ? 0.4417 0.5523 0.4138 -0.0127 0.0851  -0.0294 7  CYS F C   
1024 O O   . CYS F 7  ? 0.4242 0.5216 0.3911 -0.0058 0.0856  -0.0225 7  CYS F O   
1025 C CB  . CYS F 7  ? 0.3382 0.4808 0.3069 -0.0232 0.0779  -0.0306 7  CYS F CB  
1026 S SG  . CYS F 7  ? 0.3974 0.5351 0.3587 -0.0154 0.0754  -0.0222 7  CYS F SG  
1027 N N   . GLY F 8  ? 0.4832 0.6008 0.4615 -0.0159 0.0869  -0.0378 8  GLY F N   
1028 C CA  . GLY F 8  ? 0.4957 0.6079 0.4760 -0.0109 0.0896  -0.0387 8  GLY F CA  
1029 C C   . GLY F 8  ? 0.4307 0.5250 0.4095 -0.0079 0.0920  -0.0344 8  GLY F C   
1030 O O   . GLY F 8  ? 0.3847 0.4735 0.3615 -0.0015 0.0936  -0.0318 8  GLY F O   
1031 N N   . SER F 9  ? 0.4286 0.5162 0.4079 -0.0118 0.0927  -0.0339 9  SER F N   
1032 C CA  . SER F 9  ? 0.4992 0.5736 0.4771 -0.0095 0.0937  -0.0296 9  SER F CA  
1033 C C   . SER F 9  ? 0.3714 0.4420 0.3428 -0.0026 0.0901  -0.0202 9  SER F C   
1034 O O   . SER F 9  ? 0.3675 0.4308 0.3373 -0.0016 0.0896  -0.0181 9  SER F O   
1035 C CB  . SER F 9  ? 0.4295 0.4997 0.4093 -0.0131 0.0968  -0.0309 9  SER F CB  
1036 O OG  . SER F 9  ? 0.5064 0.5655 0.4853 -0.0113 0.0979  -0.0268 9  SER F OG  
1037 N N   . HIS F 10 ? 0.3633 0.4375 0.3303 -0.0005 0.0882  -0.0159 10 HIS F N   
1038 C CA  . HIS F 10 ? 0.4181 0.4861 0.3770 0.0040  0.0862  -0.0080 10 HIS F CA  
1039 C C   . HIS F 10 ? 0.4620 0.5252 0.4146 0.0104  0.0858  -0.0072 10 HIS F C   
1040 O O   . HIS F 10 ? 0.4763 0.5381 0.4227 0.0138  0.0811  -0.0038 10 HIS F O   
1041 C CB  . HIS F 10 ? 0.4273 0.4970 0.3829 -0.0013 0.0852  -0.0047 10 HIS F CB  
1042 C CG  . HIS F 10 ? 0.2887 0.3618 0.2482 -0.0040 0.0862  -0.0030 10 HIS F CG  
1043 N ND1 . HIS F 10 ? 0.4725 0.5402 0.4289 -0.0034 0.0863  0.0034  10 HIS F ND1 
1044 C CD2 . HIS F 10 ? 0.3587 0.4405 0.3238 -0.0064 0.0889  -0.0065 10 HIS F CD2 
1045 C CE1 . HIS F 10 ? 0.4249 0.4976 0.3858 -0.0041 0.0898  0.0044  10 HIS F CE1 
1046 N NE2 . HIS F 10 ? 0.3103 0.3913 0.2759 -0.0048 0.0918  -0.0011 10 HIS F NE2 
1047 N N   . LEU F 11 ? 0.3357 0.4027 0.2900 0.0112  0.0899  -0.0122 11 LEU F N   
1048 C CA  . LEU F 11 ? 0.3261 0.3826 0.2737 0.0170  0.0928  -0.0135 11 LEU F CA  
1049 C C   . LEU F 11 ? 0.3840 0.4395 0.3316 0.0261  0.0925  -0.0130 11 LEU F C   
1050 O O   . LEU F 11 ? 0.2848 0.3832 0.2398 0.0160  0.0781  -0.0310 11 LEU F O   
1051 C CB  . LEU F 11 ? 0.2913 0.3671 0.2447 0.0150  0.0954  -0.0209 11 LEU F CB  
1052 C CG  . LEU F 11 ? 0.3072 0.3982 0.2591 0.0099  0.0894  -0.0200 11 LEU F CG  
1053 C CD1 . LEU F 11 ? 0.3905 0.5088 0.3505 0.0109  0.0868  -0.0260 11 LEU F CD1 
1054 C CD2 . LEU F 11 ? 0.3615 0.4372 0.2969 0.0107  0.0897  -0.0154 11 LEU F CD2 
1055 N N   . VAL F 12 ? 0.4704 0.5398 0.4276 0.0221  0.0933  -0.0179 12 VAL F N   
1056 C CA  . VAL F 12 ? 0.4481 0.5215 0.4058 0.0252  0.0949  -0.0216 12 VAL F CA  
1057 C C   . VAL F 12 ? 0.4595 0.5308 0.4126 0.0212  0.0902  -0.0226 12 VAL F C   
1058 O O   . VAL F 12 ? 0.4402 0.5121 0.3886 0.0239  0.0915  -0.0280 12 VAL F O   
1059 C CB  . VAL F 12 ? 0.3779 0.4553 0.3453 0.0157  0.0996  -0.0279 12 VAL F CB  
1060 C CG1 A VAL F 12 ? 0.3048 0.3942 0.2794 0.0137  0.1034  -0.0340 12 VAL F CG1 
1061 C CG1 B VAL F 12 ? 0.4113 0.4884 0.3782 0.0163  0.1035  -0.0312 12 VAL F CG1 
1062 C CG2 A VAL F 12 ? 0.3354 0.4054 0.3067 0.0049  0.0963  -0.0277 12 VAL F CG2 
1063 C CG2 B VAL F 12 ? 0.6134 0.7025 0.5884 0.0125  0.1026  -0.0338 12 VAL F CG2 
1064 N N   . GLU F 13 ? 0.3409 0.4037 0.2939 0.0134  0.0882  -0.0188 13 GLU F N   
1065 C CA  . GLU F 13 ? 0.3888 0.4354 0.3350 0.0081  0.0872  -0.0170 13 GLU F CA  
1066 C C   . GLU F 13 ? 0.3836 0.4242 0.3174 0.0098  0.0857  -0.0168 13 GLU F C   
1067 O O   . GLU F 13 ? 0.3647 0.3861 0.2870 0.0095  0.0881  -0.0170 13 GLU F O   
1068 C CB  . GLU F 13 ? 0.3683 0.4113 0.3177 0.0022  0.0849  -0.0121 13 GLU F CB  
1069 C CG  . GLU F 13 ? 0.4083 0.4514 0.3667 -0.0004 0.0878  -0.0143 13 GLU F CG  
1070 C CD  . GLU F 13 ? 0.4785 0.5236 0.4395 -0.0029 0.0866  -0.0102 13 GLU F CD  
1071 O OE1 . GLU F 13 ? 0.4849 0.5409 0.4451 -0.0014 0.0837  -0.0057 13 GLU F OE1 
1072 O OE2 . GLU F 13 ? 0.4955 0.5331 0.4586 -0.0049 0.0895  -0.0105 13 GLU F OE2 
1073 N N   . ALA F 14 ? 0.4049 0.4579 0.3375 0.0109  0.0827  -0.0163 14 ALA F N   
1074 C CA  . ALA F 14 ? 0.5101 0.5482 0.4259 0.0113  0.0829  -0.0163 14 ALA F CA  
1075 C C   . ALA F 14 ? 0.4333 0.4624 0.3422 0.0207  0.0881  -0.0247 14 ALA F C   
1076 O O   . ALA F 14 ? 0.4779 0.4785 0.3654 0.0263  0.0898  -0.0236 14 ALA F O   
1077 C CB  . ALA F 14 ? 0.5027 0.5542 0.4181 0.0072  0.0789  -0.0141 14 ALA F CB  
1078 N N   . LEU F 15 ? 0.3626 0.4151 0.2872 0.0227  0.0910  -0.0342 15 LEU F N   
1079 C CA  . LEU F 15 ? 0.3069 0.3562 0.2292 0.0324  0.0979  -0.0442 15 LEU F CA  
1080 C C   . LEU F 15 ? 0.3338 0.3764 0.2514 0.0355  0.1006  -0.0461 15 LEU F C   
1081 O O   . LEU F 15 ? 0.3321 0.3620 0.2385 0.0458  0.1056  -0.0527 15 LEU F O   
1082 C CB  . LEU F 15 ? 0.2596 0.3239 0.2010 0.0288  0.1031  -0.0517 15 LEU F CB  
1083 C CG  . LEU F 15 ? 0.2941 0.3566 0.2309 0.0396  0.1074  -0.0509 15 LEU F CG  
1084 C CD1 . LEU F 15 ? 0.3324 0.3871 0.2564 0.0615  0.1071  -0.0542 15 LEU F CD1 
1085 C CD2 . LEU F 15 ? 0.2864 0.3448 0.2148 0.0340  0.1002  -0.0420 15 LEU F CD2 
1086 N N   . TYR F 16 ? 0.3377 0.3839 0.2611 0.0290  0.0983  -0.0396 16 TYR F N   
1087 C CA  . TYR F 16 ? 0.3650 0.3996 0.2815 0.0295  0.1026  -0.0399 16 TYR F CA  
1088 C C   . TYR F 16 ? 0.5261 0.5258 0.4194 0.0295  0.1033  -0.0361 16 TYR F C   
1089 O O   . TYR F 16 ? 0.5081 0.4973 0.3890 0.0337  0.1082  -0.0414 16 TYR F O   
1090 C CB  . TYR F 16 ? 0.3698 0.4038 0.2954 0.0210  0.1019  -0.0328 16 TYR F CB  
1091 C CG  . TYR F 16 ? 0.4517 0.4731 0.3703 0.0179  0.1069  -0.0332 16 TYR F CG  
1092 C CD1 . TYR F 16 ? 0.5167 0.5541 0.4381 0.0226  0.1129  -0.0396 16 TYR F CD1 
1093 C CD2 . TYR F 16 ? 0.5206 0.5181 0.4291 0.0105  0.1058  -0.0274 16 TYR F CD2 
1094 C CE1 . TYR F 16 ? 0.3882 0.4163 0.3019 0.0190  0.1182  -0.0403 16 TYR F CE1 
1095 C CE2 . TYR F 16 ? 0.4525 0.4410 0.3533 0.0069  0.1104  -0.0282 16 TYR F CE2 
1096 C CZ  . TYR F 16 ? 0.5429 0.5459 0.4461 0.0108  0.1167  -0.0346 16 TYR F CZ  
1097 O OH  . TYR F 16 ? 0.3762 0.3721 0.2702 0.0066  0.1218  -0.0356 16 TYR F OH  
1098 N N   . LEU F 17 ? 0.4983 0.4809 0.3827 0.0247  0.0985  -0.0279 17 LEU F N   
1099 C CA  . LEU F 17 ? 0.4752 0.4219 0.3319 0.0228  0.0980  -0.0242 17 LEU F CA  
1100 C C   . LEU F 17 ? 0.4934 0.4180 0.3252 0.0362  0.0990  -0.0298 17 LEU F C   
1101 O O   . LEU F 17 ? 0.5937 0.4873 0.3981 0.0400  0.1007  -0.0331 17 LEU F O   
1102 C CB  . LEU F 17 ? 0.4836 0.4249 0.3385 0.0114  0.0919  -0.0152 17 LEU F CB  
1103 C CG  . LEU F 17 ? 0.5248 0.4289 0.3463 0.0050  0.0890  -0.0114 17 LEU F CG  
1104 C CD1 . LEU F 17 ? 0.4190 0.3104 0.2328 -0.0042 0.0903  -0.0113 17 LEU F CD1 
1105 C CD2 . LEU F 17 ? 0.4136 0.3240 0.2337 -0.0052 0.0818  -0.0039 17 LEU F CD2 
1106 N N   . VAL F 18 ? 0.5165 0.4536 0.3546 0.0443  0.0973  -0.0320 18 VAL F N   
1107 C CA  . VAL F 18 ? 0.5404 0.4489 0.3509 0.0599  0.0957  -0.0364 18 VAL F CA  
1108 C C   . VAL F 18 ? 0.5976 0.5089 0.4085 0.0765  0.1016  -0.0508 18 VAL F C   
1109 O O   . VAL F 18 ? 0.5182 0.3920 0.2984 0.0881  0.1006  -0.0567 18 VAL F O   
1110 C CB  . VAL F 18 ? 0.5029 0.4246 0.3199 0.0637  0.0918  -0.0337 18 VAL F CB  
1111 C CG1 . VAL F 18 ? 0.5626 0.4531 0.3516 0.0852  0.0885  -0.0396 18 VAL F CG1 
1112 C CG2 . VAL F 18 ? 0.5077 0.4260 0.3192 0.0468  0.0861  -0.0214 18 VAL F CG2 
1113 N N   . CYS F 19 ? 0.5105 0.4642 0.3542 0.0767  0.1073  -0.0583 19 CYS F N   
1114 C CA  . CYS F 19 ? 0.5642 0.5273 0.4128 0.0917  0.1146  -0.0737 19 CYS F CA  
1115 C C   . CYS F 19 ? 0.6067 0.5577 0.4419 0.0905  0.1195  -0.0801 19 CYS F C   
1116 O O   . CYS F 19 ? 0.5795 0.5121 0.3982 0.1066  0.1231  -0.0920 19 CYS F O   
1117 C CB  . CYS F 19 ? 0.4998 0.5075 0.3835 0.0869  0.1211  -0.0798 19 CYS F CB  
1118 S SG  . CYS F 19 ? 0.4758 0.4993 0.3742 0.0872  0.1167  -0.0728 19 CYS F SG  
1119 N N   . GLY F 20 ? 0.5466 0.5065 0.3877 0.0734  0.1193  -0.0729 20 GLY F N   
1120 C CA  . GLY F 20 ? 0.5860 0.5356 0.4128 0.0713  0.1238  -0.0776 20 GLY F CA  
1121 C C   . GLY F 20 ? 0.5752 0.5624 0.4219 0.0747  0.1331  -0.0929 20 GLY F C   
1122 O O   . GLY F 20 ? 0.5587 0.5833 0.4327 0.0672  0.1342  -0.0933 20 GLY F O   
1123 N N   . GLU F 21 ? 0.6060 0.5818 0.4362 0.0853  0.1401  -0.1072 21 GLU F N   
1124 C CA  . GLU F 21 ? 0.5504 0.5613 0.3971 0.0872  0.1522  -0.1245 21 GLU F CA  
1125 C C   . GLU F 21 ? 0.5499 0.5790 0.4197 0.0956  0.1619  -0.1340 21 GLU F C   
1126 O O   . GLU F 21 ? 0.4972 0.5475 0.3826 0.0923  0.1750  -0.1417 21 GLU F O   
1127 C CB  . GLU F 21 ? 0.6057 0.5954 0.4256 0.0966  0.1587  -0.1381 21 GLU F CB  
1128 C CG  . GLU F 21 ? 0.6243 0.5634 0.4135 0.1144  0.1544  -0.1414 21 GLU F CG  
1129 C CD  . GLU F 21 ? 0.6607 0.5618 0.4112 0.1153  0.1542  -0.1472 21 GLU F CD  
1130 O OE1 . GLU F 21 ? 0.6652 0.5832 0.4143 0.1172  0.1648  -0.1632 21 GLU F OE1 
1131 O OE2 . GLU F 21 ? 0.7050 0.5582 0.4241 0.1118  0.1440  -0.1362 21 GLU F OE2 
1132 N N   . ARG F 22 ? 0.4884 0.5014 0.3564 0.1074  0.1550  -0.1271 22 ARG F N   
1133 C CA  . ARG F 22 ? 0.4707 0.5001 0.3567 0.1214  0.1617  -0.1305 22 ARG F CA  
1134 C C   . ARG F 22 ? 0.4392 0.4978 0.3523 0.1040  0.1667  -0.1232 22 ARG F C   
1135 O O   . ARG F 22 ? 0.4442 0.5229 0.3711 0.1130  0.1769  -0.1251 22 ARG F O   
1136 C CB  . ARG F 22 ? 0.4925 0.4993 0.3664 0.1405  0.1495  -0.1244 22 ARG F CB  
1137 C CG  . ARG F 22 ? 0.5379 0.5027 0.3798 0.1627  0.1457  -0.1326 22 ARG F CG  
1138 C CD  A ARG F 22 ? 0.7394 0.6729 0.5643 0.1779  0.1318  -0.1246 22 ARG F CD  
1139 C CD  B ARG F 22 ? 0.6725 0.6090 0.4997 0.1795  0.1324  -0.1253 22 ARG F CD  
1140 N NE  A ARG F 22 ? 0.5729 0.4882 0.3851 0.1580  0.1218  -0.1087 22 ARG F NE  
1141 N NE  B ARG F 22 ? 0.5428 0.5122 0.3956 0.1929  0.1329  -0.1245 22 ARG F NE  
1142 C CZ  A ARG F 22 ? 0.5997 0.4850 0.3929 0.1638  0.1100  -0.0995 22 ARG F CZ  
1143 C CZ  B ARG F 22 ? 0.5512 0.5089 0.3990 0.2065  0.1217  -0.1176 22 ARG F CZ  
1144 N NH1 A ARG F 22 ? 0.6345 0.5019 0.4195 0.1899  0.1042  -0.1042 22 ARG F NH1 
1145 N NH1 B ARG F 22 ? 0.5908 0.5001 0.4072 0.2077  0.1095  -0.1107 22 ARG F NH1 
1146 N NH2 A ARG F 22 ? 0.6008 0.4732 0.3829 0.1436  0.1036  -0.0852 22 ARG F NH2 
1147 N NH2 B ARG F 22 ? 0.5381 0.5329 0.4112 0.2185  0.1222  -0.1171 22 ARG F NH2 
1148 N N   . GLY F 23 ? 0.5361 0.4979 0.3639 0.1549  0.0420  -0.0026 23 GLY F N   
1149 C CA  . GLY F 23 ? 0.7507 0.7148 0.5777 0.1564  0.0389  -0.0033 23 GLY F CA  
1150 C C   . GLY F 23 ? 0.6322 0.5962 0.4552 0.1602  0.0381  -0.0023 23 GLY F C   
1151 O O   . GLY F 23 ? 0.5793 0.5411 0.3999 0.1619  0.0402  -0.0002 23 GLY F O   
1152 N N   . PHE F 24 ? 0.6776 0.6448 0.5003 0.1619  0.0350  -0.0043 24 PHE F N   
1153 C CA  . PHE F 24 ? 0.6139 0.5835 0.4332 0.1661  0.0338  -0.0044 24 PHE F CA  
1154 C C   . PHE F 24 ? 0.6663 0.6406 0.4863 0.1676  0.0302  -0.0078 24 PHE F C   
1155 O O   . PHE F 24 ? 0.7164 0.6914 0.5397 0.1652  0.0289  -0.0101 24 PHE F O   
1156 C CB  . PHE F 24 ? 0.5370 0.5069 0.3548 0.1673  0.0340  -0.0046 24 PHE F CB  
1157 C CG  . PHE F 24 ? 0.4719 0.4437 0.2919 0.1659  0.0318  -0.0085 24 PHE F CG  
1158 C CD1 . PHE F 24 ? 0.4961 0.4649 0.3188 0.1619  0.0330  -0.0085 24 PHE F CD1 
1159 C CD2 . PHE F 24 ? 0.4588 0.4360 0.2784 0.1688  0.0286  -0.0126 24 PHE F CD2 
1160 C CE1 . PHE F 24 ? 0.4584 0.4289 0.2832 0.1608  0.0313  -0.0118 24 PHE F CE1 
1161 C CE2 . PHE F 24 ? 0.4410 0.4197 0.2630 0.1676  0.0267  -0.0169 24 PHE F CE2 
1162 C CZ  . PHE F 24 ? 0.4319 0.4069 0.2564 0.1636  0.0282  -0.0162 24 PHE F CZ  
1163 N N   . PHE F 25 ? 0.5279 0.5061 0.3454 0.1719  0.0289  -0.0084 25 PHE F N   
1164 C CA  . PHE F 25 ? 0.5156 0.4994 0.3337 0.1740  0.0253  -0.0128 25 PHE F CA  
1165 C C   . PHE F 25 ? 0.5109 0.5005 0.3273 0.1780  0.0234  -0.0158 25 PHE F C   
1166 O O   . PHE F 25 ? 0.4597 0.4508 0.2730 0.1812  0.0249  -0.0127 25 PHE F O   
1167 C CB  . PHE F 25 ? 0.6704 0.6559 0.4876 0.1759  0.0251  -0.0112 25 PHE F CB  
1168 C CG  . PHE F 25 ? 0.6684 0.6541 0.4819 0.1794  0.0272  -0.0068 25 PHE F CG  
1169 C CD1 . PHE F 25 ? 0.6136 0.5936 0.4263 0.1779  0.0309  -0.0021 25 PHE F CD1 
1170 C CD2 . PHE F 25 ? 0.6346 0.6272 0.4458 0.1845  0.0256  -0.0078 25 PHE F CD2 
1171 C CE1 . PHE F 25 ? 0.7097 0.6894 0.5193 0.1812  0.0333  0.0018  25 PHE F CE1 
1172 C CE2 . PHE F 25 ? 0.6159 0.6094 0.4240 0.1881  0.0279  -0.0032 25 PHE F CE2 
1173 C CZ  . PHE F 25 ? 0.6172 0.6036 0.4246 0.1863  0.0319  0.0018  25 PHE F CZ  
1174 N N   . TYR F 26 ? 0.5206 0.5140 0.3392 0.1782  0.0202  -0.0221 26 TYR F N   
1175 C CA  . TYR F 26 ? 0.5793 0.5800 0.3970 0.1824  0.0178  -0.0267 26 TYR F CA  
1176 C C   . TYR F 26 ? 0.5704 0.5781 0.3897 0.1851  0.0138  -0.0335 26 TYR F C   
1177 O O   . TYR F 26 ? 0.5878 0.5945 0.4110 0.1827  0.0116  -0.0389 26 TYR F O   
1178 C CB  . TYR F 26 ? 0.5881 0.5874 0.4076 0.1804  0.0175  -0.0295 26 TYR F CB  
1179 C CG  . TYR F 26 ? 0.5176 0.5255 0.3365 0.1851  0.0148  -0.0350 26 TYR F CG  
1180 C CD1 . TYR F 26 ? 0.4844 0.4968 0.2998 0.1889  0.0162  -0.0319 26 TYR F CD1 
1181 C CD2 . TYR F 26 ? 0.4841 0.4963 0.3062 0.1860  0.0108  -0.0438 26 TYR F CD2 
1182 C CE1 . TYR F 26 ? 0.4770 0.4996 0.2919 0.1938  0.0136  -0.0371 26 TYR F CE1 
1183 C CE2 . TYR F 26 ? 0.5750 0.5966 0.3969 0.1908  0.0080  -0.0499 26 TYR F CE2 
1184 C CZ  . TYR F 26 ? 0.5603 0.5878 0.3783 0.1949  0.0093  -0.0464 26 TYR F CZ  
1185 O OH  . TYR F 26 ? 0.5312 0.5702 0.3490 0.2004  0.0064  -0.0525 26 TYR F OH  
1186 N N   . THR F 27 ? 0.6649 0.6801 0.4815 0.1901  0.0128  -0.0333 27 THR F N   
1187 C CA  . THR F 27 ? 0.5920 0.6155 0.4101 0.1934  0.0088  -0.0403 27 THR F CA  
1188 C C   . THR F 27 ? 0.5694 0.6049 0.3860 0.1996  0.0063  -0.0448 27 THR F C   
1189 O O   . THR F 27 ? 0.5464 0.5882 0.3596 0.2040  0.0076  -0.0405 27 THR F O   
1190 C CB  . THR F 27 ? 0.6380 0.6623 0.4549 0.1944  0.0094  -0.0368 27 THR F CB  
1191 O OG1 . THR F 27 ? 0.6160 0.6305 0.4341 0.1892  0.0118  -0.0324 27 THR F OG1 
1192 C CG2 . THR F 27 ? 0.6109 0.6434 0.4300 0.1972  0.0051  -0.0446 27 THR F CG2 
1193 N N   . PRO F 28 ? 0.5199 0.5601 0.3395 0.2006  0.0027  -0.0535 28 PRO F N   
1194 C CA  . PRO F 28 ? 0.5461 0.6006 0.3646 0.2074  -0.0003 -0.0591 28 PRO F CA  
1195 C C   . PRO F 28 ? 0.5258 0.5913 0.3443 0.2122  -0.0033 -0.0630 28 PRO F C   
1196 O O   . PRO F 28 ? 0.5979 0.6755 0.4135 0.2181  -0.0034 -0.0614 28 PRO F O   
1197 C CB  . PRO F 28 ? 0.5469 0.6020 0.3697 0.2068  -0.0038 -0.0686 28 PRO F CB  
1198 C CG  . PRO F 28 ? 0.5633 0.6065 0.3904 0.2004  -0.0037 -0.0699 28 PRO F CG  
1199 C CD  . PRO F 28 ? 0.5606 0.5939 0.3849 0.1960  0.0014  -0.0589 28 PRO F CD  
1200 N N   . LYS F 29 ? 0.5629 0.6249 0.3850 0.2097  -0.0056 -0.0679 29 LYS F N   
1201 C CA  . LYS F 29 ? 0.5983 0.6702 0.4210 0.2137  -0.0087 -0.0722 29 LYS F CA  
1202 C C   . LYS F 29 ? 0.6966 0.7596 0.5198 0.2095  -0.0069 -0.0677 29 LYS F C   
1203 O O   . LYS F 29 ? 0.6498 0.7185 0.4712 0.2123  -0.0067 -0.0652 29 LYS F O   
1204 C CB  . LYS F 29 ? 0.6012 0.6814 0.4290 0.2165  -0.0149 -0.0860 29 LYS F CB  
1205 C CG  . LYS F 29 ? 0.6151 0.7150 0.4418 0.2249  -0.0186 -0.0919 29 LYS F CG  
1206 C CD  . LYS F 29 ? 0.6179 0.7240 0.4411 0.2281  -0.0167 -0.0882 29 LYS F CD  
1207 C CE  . LYS F 29 ? 0.5793 0.6784 0.4054 0.2253  -0.0177 -0.0929 29 LYS F CE  
1208 N NZ  . LYS F 29 ? 0.6743 0.7790 0.4969 0.2281  -0.0155 -0.0888 29 LYS F NZ  
1209 O OXT . LYS F 29 ? 0.6502 0.7013 0.4759 0.2036  -0.0054 -0.0664 29 LYS F OXT 
1210 N N   . GLY G 1  ? 0.7086 0.7836 0.6959 0.1083  0.2285  0.2011  1  GLY G N   
1211 C CA  . GLY G 1  ? 0.6511 0.7360 0.6623 0.0979  0.2087  0.2078  1  GLY G CA  
1212 C C   . GLY G 1  ? 0.5531 0.6415 0.5315 0.0780  0.1774  0.1937  1  GLY G C   
1213 O O   . GLY G 1  ? 0.5710 0.6511 0.5078 0.0729  0.1705  0.1792  1  GLY G O   
1214 N N   . ILE G 2  ? 0.4484 0.5486 0.4462 0.0673  0.1584  0.1979  2  ILE G N   
1215 C CA  . ILE G 2  ? 0.4011 0.5048 0.3721 0.0502  0.1308  0.1839  2  ILE G CA  
1216 C C   . ILE G 2  ? 0.5210 0.5976 0.4461 0.0509  0.1388  0.1621  2  ILE G C   
1217 O O   . ILE G 2  ? 0.4492 0.5232 0.3388 0.0424  0.1200  0.1473  2  ILE G O   
1218 C CB  . ILE G 2  ? 0.3502 0.4736 0.3512 0.0401  0.1122  0.1919  2  ILE G CB  
1219 C CG1 . ILE G 2  ? 0.3502 0.4783 0.3265 0.0247  0.0861  0.1765  2  ILE G CG1 
1220 C CG2 . ILE G 2  ? 0.3362 0.4487 0.3565 0.0450  0.1288  0.1973  2  ILE G CG2 
1221 C CD1 . ILE G 2  ? 0.2871 0.4366 0.2877 0.0155  0.0690  0.1819  2  ILE G CD1 
1222 N N   . VAL G 3  ? 0.5724 0.6245 0.4984 0.0618  0.1648  0.1553  3  VAL G N   
1223 C CA  . VAL G 3  ? 0.5882 0.6061 0.4770 0.0597  0.1584  0.1163  3  VAL G CA  
1224 C C   . VAL G 3  ? 0.6160 0.6168 0.4554 0.0661  0.1626  0.0997  3  VAL G C   
1225 O O   . VAL G 3  ? 0.6524 0.6391 0.4511 0.0595  0.1440  0.0744  3  VAL G O   
1226 C CB  . VAL G 3  ? 0.5305 0.5191 0.4410 0.0659  0.1756  0.1032  3  VAL G CB  
1227 C CG1 . VAL G 3  ? 0.5628 0.5182 0.4382 0.0604  0.1648  0.0624  3  VAL G CG1 
1228 C CG2 . VAL G 3  ? 0.5153 0.5228 0.4754 0.0591  0.1724  0.1263  3  VAL G CG2 
1229 N N   . GLU G 4  ? 0.5560 0.5597 0.3987 0.0791  0.1873  0.1151  4  GLU G N   
1230 C CA  . GLU G 4  ? 0.6403 0.6290 0.4332 0.0852  0.1951  0.1019  4  GLU G CA  
1231 C C   . GLU G 4  ? 0.6198 0.6272 0.3919 0.0718  0.1661  0.1079  4  GLU G C   
1232 O O   . GLU G 4  ? 0.7559 0.7474 0.4816 0.0702  0.1586  0.0906  4  GLU G O   
1233 C CB  . GLU G 4  ? 0.7144 0.7067 0.5262 0.1007  0.2266  0.1164  4  GLU G CB  
1234 C CG  . GLU G 4  ? 0.8371 0.7989 0.6583 0.1173  0.2584  0.1009  4  GLU G CG  
1235 C CD  . GLU G 4  ? 0.9448 0.8829 0.7256 0.1306  0.2824  0.0812  4  GLU G CD  
1236 O OE1 . GLU G 4  ? 0.9202 0.8557 0.6524 0.1228  0.2666  0.0694  4  GLU G OE1 
1237 O OE2 . GLU G 4  ? 1.1994 1.1220 1.0013 0.1472  0.3123  0.0771  4  GLU G OE2 
1238 N N   . GLN G 5  ? 0.5840 0.6214 0.3948 0.0595  0.1447  0.1276  5  GLN G N   
1239 C CA  . GLN G 5  ? 0.5932 0.6405 0.3943 0.0450  0.1162  0.1284  5  GLN G CA  
1240 C C   . GLN G 5  ? 0.5954 0.6405 0.3817 0.0338  0.0885  0.1148  5  GLN G C   
1241 O O   . GLN G 5  ? 0.5726 0.6064 0.3284 0.0270  0.0698  0.1025  5  GLN G O   
1242 C CB  . GLN G 5  ? 0.5981 0.6714 0.4453 0.0393  0.1095  0.1506  5  GLN G CB  
1243 C CG  . GLN G 5  ? 0.6827 0.7565 0.5189 0.0269  0.0873  0.1503  5  GLN G CG  
1244 C CD  . GLN G 5  ? 0.6931 0.7907 0.5715 0.0203  0.0746  0.1648  5  GLN G CD  
1245 O OE1 . GLN G 5  ? 0.7049 0.8232 0.6222 0.0258  0.0840  0.1796  5  GLN G OE1 
1246 N NE2 . GLN G 5  ? 0.6713 0.7653 0.5422 0.0101  0.0531  0.1600  5  GLN G NE2 
1247 N N   . CYS G 6  ? 0.5341 0.5901 0.3441 0.0317  0.0854  0.1173  6  CYS G N   
1248 C CA  . CYS G 6  ? 0.5222 0.5829 0.3258 0.0214  0.0596  0.1054  6  CYS G CA  
1249 C C   . CYS G 6  ? 0.5114 0.5556 0.2841 0.0244  0.0565  0.0792  6  CYS G C   
1250 O O   . CYS G 6  ? 0.4862 0.5332 0.2485 0.0170  0.0324  0.0639  6  CYS G O   
1251 C CB  . CYS G 6  ? 0.4369 0.5211 0.2844 0.0146  0.0542  0.1185  6  CYS G CB  
1252 S SG  . CYS G 6  ? 0.5102 0.6114 0.3952 0.0107  0.0485  0.1367  6  CYS G SG  
1253 N N   . CYS G 7  ? 0.5519 0.5722 0.3216 0.0322  0.0758  0.0658  7  CYS G N   
1254 C CA  . CYS G 7  ? 0.5075 0.5021 0.2548 0.0306  0.0669  0.0316  7  CYS G CA  
1255 C C   . CYS G 7  ? 0.6512 0.6223 0.3454 0.0356  0.0633  0.0146  7  CYS G C   
1256 O O   . CYS G 7  ? 0.6597 0.6089 0.3297 0.0339  0.0529  -0.0145 7  CYS G O   
1257 C CB  . CYS G 7  ? 0.5320 0.5085 0.3032 0.0341  0.0866  0.0224  7  CYS G CB  
1258 S SG  . CYS G 7  ? 0.4789 0.4809 0.3085 0.0257  0.0873  0.0418  7  CYS G SG  
1259 N N   . THR G 8  ? 0.6540 0.6307 0.3300 0.0405  0.0708  0.0336  8  THR G N   
1260 C CA  . THR G 8  ? 0.7010 0.6626 0.3333 0.0410  0.0637  0.0229  8  THR G CA  
1261 C C   . THR G 8  ? 0.6482 0.6280 0.2919 0.0268  0.0360  0.0327  8  THR G C   
1262 O O   . THR G 8  ? 0.6375 0.6118 0.2624 0.0213  0.0187  0.0195  8  THR G O   
1263 C CB  . THR G 8  ? 0.7010 0.6570 0.3261 0.0504  0.0933  0.0335  8  THR G CB  
1264 O OG1 . THR G 8  ? 0.6425 0.6259 0.3096 0.0486  0.1021  0.0654  8  THR G OG1 
1265 C CG2 . THR G 8  ? 0.7393 0.6684 0.3544 0.0639  0.1227  0.0173  8  THR G CG2 
1266 N N   . SER G 9  ? 0.6361 0.6342 0.3135 0.0199  0.0320  0.0549  9  SER G N   
1267 C CA  . SER G 9  ? 0.6132 0.6094 0.2985 0.0067  0.0069  0.0594  9  SER G CA  
1268 C C   . SER G 9  ? 0.6475 0.6519 0.3644 0.0063  -0.0028 0.0626  9  SER G C   
1269 O O   . SER G 9  ? 0.6191 0.6438 0.3628 0.0094  0.0118  0.0746  9  SER G O   
1270 C CB  . SER G 9  ? 0.6904 0.6820 0.3762 0.0041  0.0126  0.0784  9  SER G CB  
1271 O OG  . SER G 9  ? 0.6813 0.6894 0.4038 0.0073  0.0243  0.0966  9  SER G OG  
1272 N N   . ILE G 10 ? 0.5655 0.5579 0.2843 0.0047  -0.0259 0.0520  10 ILE G N   
1273 C CA  . ILE G 10 ? 0.5672 0.5783 0.3201 0.0055  -0.0335 0.0514  10 ILE G CA  
1274 C C   . ILE G 10 ? 0.5587 0.5853 0.3383 0.0030  -0.0269 0.0706  10 ILE G C   
1275 O O   . ILE G 10 ? 0.6230 0.6395 0.3981 0.0039  -0.0310 0.0761  10 ILE G O   
1276 C CB  . ILE G 10 ? 0.6092 0.6086 0.3660 0.0089  -0.0551 0.0337  10 ILE G CB  
1277 C CG1 . ILE G 10 ? 0.5980 0.5879 0.3452 0.0043  -0.0622 0.0154  10 ILE G CG1 
1278 C CG2 . ILE G 10 ? 0.6055 0.6237 0.3919 0.0067  -0.0603 0.0335  10 ILE G CG2 
1279 C CD1 . ILE G 10 ? 0.6110 0.5928 0.3755 -0.0047 -0.0794 0.0047  10 ILE G CD1 
1280 N N   . CYS G 11 ? 0.8747 0.9272 0.6834 -0.0005 -0.0175 0.0810  11 CYS G N   
1281 C CA  . CYS G 11 ? 0.7310 0.8014 0.5694 -0.0045 -0.0131 0.0980  11 CYS G CA  
1282 C C   . CYS G 11 ? 0.8225 0.9017 0.6776 -0.0099 -0.0281 0.0917  11 CYS G C   
1283 O O   . CYS G 11 ? 0.7994 0.8841 0.6582 -0.0114 -0.0341 0.0805  11 CYS G O   
1284 C CB  . CYS G 11 ? 0.6571 0.7491 0.5207 -0.0038 0.0034  0.1130  11 CYS G CB  
1285 S SG  . CYS G 11 ? 0.7028 0.7872 0.5570 0.0049  0.0282  0.1248  11 CYS G SG  
1286 N N   . SER G 12 ? 0.5612 0.6425 0.4252 -0.0134 -0.0329 0.0988  12 SER G N   
1287 C CA  . SER G 12 ? 0.5525 0.6447 0.4304 -0.0205 -0.0450 0.0950  12 SER G CA  
1288 C C   . SER G 12 ? 0.5623 0.6839 0.4695 -0.0284 -0.0406 0.1065  12 SER G C   
1289 O O   . SER G 12 ? 0.6111 0.7457 0.5333 -0.0268 -0.0294 0.1197  12 SER G O   
1290 C CB  . SER G 12 ? 0.5638 0.6512 0.4394 -0.0244 -0.0532 0.1007  12 SER G CB  
1291 O OG  . SER G 12 ? 0.4545 0.5564 0.3462 -0.0288 -0.0452 0.1202  12 SER G OG  
1292 N N   . LEU G 13 ? 0.5698 0.3723 0.6024 -0.0241 0.0406  0.0592  13 LEU G N   
1293 C CA  . LEU G 13 ? 0.6729 0.4566 0.6962 -0.0127 0.0403  0.0581  13 LEU G CA  
1294 C C   . LEU G 13 ? 0.4970 0.3023 0.5234 -0.0117 0.0301  0.0398  13 LEU G C   
1295 O O   . LEU G 13 ? 0.4859 0.2930 0.5082 -0.0010 0.0199  0.0352  13 LEU G O   
1296 C CB  . LEU G 13 ? 0.6601 0.4338 0.6651 -0.0116 0.0458  0.0607  13 LEU G CB  
1297 C CG  . LEU G 13 ? 0.6781 0.4599 0.6786 -0.0088 0.0456  0.0697  13 LEU G CG  
1298 C CD1 . LEU G 13 ? 0.6210 0.4047 0.6210 -0.0026 0.0366  0.0744  13 LEU G CD1 
1299 C CD2 . LEU G 13 ? 0.6570 0.4572 0.6679 -0.0172 0.0479  0.0723  13 LEU G CD2 
1300 N N   . TYR G 14 ? 0.4596 0.2821 0.4953 -0.0229 0.0324  0.0305  14 TYR G N   
1301 C CA  . TYR G 14 ? 0.4979 0.3456 0.5437 -0.0231 0.0237  0.0150  14 TYR G CA  
1302 C C   . TYR G 14 ? 0.5847 0.4473 0.6463 -0.0172 0.0197  0.0101  14 TYR G C   
1303 O O   . TYR G 14 ? 0.5681 0.4501 0.6413 -0.0111 0.0119  0.0001  14 TYR G O   
1304 C CB  . TYR G 14 ? 0.5891 0.4510 0.6414 -0.0380 0.0287  0.0075  14 TYR G CB  
1305 C CG  . TYR G 14 ? 0.5841 0.4268 0.6178 -0.0446 0.0349  0.0120  14 TYR G CG  
1306 C CD1 . TYR G 14 ? 0.6139 0.4401 0.6447 -0.0507 0.0473  0.0229  14 TYR G CD1 
1307 C CD2 . TYR G 14 ? 0.6029 0.4411 0.6207 -0.0449 0.0282  0.0063  14 TYR G CD2 
1308 C CE1 . TYR G 14 ? 0.5839 0.3893 0.5973 -0.0548 0.0559  0.0273  14 TYR G CE1 
1309 C CE2 . TYR G 14 ? 0.6334 0.4469 0.6274 -0.0511 0.0358  0.0099  14 TYR G CE2 
1310 C CZ  . TYR G 14 ? 0.6295 0.4266 0.6219 -0.0549 0.0512  0.0200  14 TYR G CZ  
1311 O OH  . TYR G 14 ? 0.6616 0.4313 0.6303 -0.0592 0.0617  0.0237  14 TYR G OH  
1312 N N   . GLN G 15 ? 0.5094 0.3613 0.5712 -0.0194 0.0249  0.0178  15 GLN G N   
1313 C CA  . GLN G 15 ? 0.5699 0.4270 0.6387 -0.0149 0.0233  0.0133  15 GLN G CA  
1314 C C   . GLN G 15 ? 0.5258 0.3693 0.5865 0.0006  0.0155  0.0183  15 GLN G C   
1315 O O   . GLN G 15 ? 0.4613 0.3127 0.5286 0.0101  0.0116  0.0107  15 GLN G O   
1316 C CB  . GLN G 15 ? 0.5477 0.3942 0.6140 -0.0279 0.0305  0.0195  15 GLN G CB  
1317 C CG  . GLN G 15 ? 0.5277 0.3884 0.6019 -0.0436 0.0377  0.0120  15 GLN G CG  
1318 C CD  . GLN G 15 ? 0.5927 0.4376 0.6604 -0.0589 0.0424  0.0214  15 GLN G CD  
1319 O OE1 . GLN G 15 ? 0.5977 0.4272 0.6585 -0.0610 0.0402  0.0370  15 GLN G OE1 
1320 N NE2 . GLN G 15 ? 0.5605 0.4110 0.6290 -0.0695 0.0476  0.0125  15 GLN G NE2 
1321 N N   . LEU G 16 ? 0.4541 0.2762 0.5010 0.0037  0.0144  0.0316  16 LEU G N   
1322 C CA  . LEU G 16 ? 0.5518 0.3605 0.5888 0.0181  0.0061  0.0361  16 LEU G CA  
1323 C C   . LEU G 16 ? 0.5765 0.3964 0.6145 0.0284  -0.0034 0.0267  16 LEU G C   
1324 O O   . LEU G 16 ? 0.5775 0.3939 0.6132 0.0412  -0.0125 0.0256  16 LEU G O   
1325 C CB  . LEU G 16 ? 0.3998 0.1839 0.4230 0.0183  0.0090  0.0532  16 LEU G CB  
1326 C CG  . LEU G 16 ? 0.4940 0.2697 0.5124 0.0104  0.0107  0.0650  16 LEU G CG  
1327 C CD1 . LEU G 16 ? 0.4848 0.2547 0.5046 0.0120  0.0067  0.0623  16 LEU G CD1 
1328 C CD2 . LEU G 16 ? 0.4845 0.2728 0.5060 -0.0047 0.0169  0.0667  16 LEU G CD2 
1329 N N   . GLU G 17 ? 0.5745 0.4056 0.6146 0.0221  -0.0030 0.0210  17 GLU G N   
1330 C CA  . GLU G 17 ? 0.6415 0.4820 0.6814 0.0283  -0.0152 0.0140  17 GLU G CA  
1331 C C   . GLU G 17 ? 0.6592 0.5257 0.7234 0.0363  -0.0228 0.0040  17 GLU G C   
1332 O O   . GLU G 17 ? 0.7250 0.5970 0.7923 0.0459  -0.0364 0.0018  17 GLU G O   
1333 C CB  . GLU G 17 ? 0.7074 0.5531 0.7429 0.0163  -0.0133 0.0100  17 GLU G CB  
1334 C CG  . GLU G 17 ? 0.7640 0.6155 0.7950 0.0183  -0.0285 0.0048  17 GLU G CG  
1335 C CD  . GLU G 17 ? 0.7572 0.6110 0.7805 0.0038  -0.0271 0.0007  17 GLU G CD  
1336 O OE1 . GLU G 17 ? 0.6914 0.5438 0.7151 -0.0063 -0.0131 0.0014  17 GLU G OE1 
1337 O OE2 . GLU G 17 ? 0.7651 0.6202 0.7806 0.0016  -0.0411 -0.0023 17 GLU G OE2 
1338 N N   . ASN G 18 ? 0.6759 0.5566 0.7571 0.0325  -0.0136 -0.0013 18 ASN G N   
1339 C CA  . ASN G 18 ? 0.6788 0.5829 0.7850 0.0413  -0.0158 -0.0105 18 ASN G CA  
1340 C C   . ASN G 18 ? 0.6486 0.5402 0.7509 0.0588  -0.0237 -0.0074 18 ASN G C   
1341 O O   . ASN G 18 ? 0.8280 0.7378 0.9513 0.0705  -0.0311 -0.0126 18 ASN G O   
1342 C CB  . ASN G 18 ? 0.6567 0.5685 0.7729 0.0333  -0.0009 -0.0161 18 ASN G CB  
1343 C CG  . ASN G 18 ? 0.6439 0.5807 0.7762 0.0194  0.0047  -0.0236 18 ASN G CG  
1344 O OD1 . ASN G 18 ? 0.7422 0.6999 0.8885 0.0191  -0.0038 -0.0273 18 ASN G OD1 
1345 N ND2 . ASN G 18 ? 0.5133 0.4465 0.6420 0.0063  0.0177  -0.0251 18 ASN G ND2 
1346 N N   . TYR G 19 ? 0.6153 0.4767 0.6934 0.0608  -0.0227 0.0021  19 TYR G N   
1347 C CA  . TYR G 19 ? 0.6267 0.4718 0.6969 0.0759  -0.0295 0.0055  19 TYR G CA  
1348 C C   . TYR G 19 ? 0.5844 0.4189 0.6423 0.0849  -0.0446 0.0109  19 TYR G C   
1349 O O   . TYR G 19 ? 0.6633 0.4813 0.7116 0.0971  -0.0517 0.0149  19 TYR G O   
1350 C CB  . TYR G 19 ? 0.5385 0.3549 0.5877 0.0714  -0.0224 0.0143  19 TYR G CB  
1351 C CG  . TYR G 19 ? 0.5786 0.3983 0.6325 0.0598  -0.0092 0.0102  19 TYR G CG  
1352 C CD1 . TYR G 19 ? 0.5472 0.3670 0.6062 0.0659  -0.0035 0.0023  19 TYR G CD1 
1353 C CD2 . TYR G 19 ? 0.5608 0.3804 0.6119 0.0427  -0.0016 0.0143  19 TYR G CD2 
1354 C CE1 . TYR G 19 ? 0.5350 0.3521 0.5919 0.0537  0.0093  -0.0019 19 TYR G CE1 
1355 C CE2 . TYR G 19 ? 0.5356 0.3552 0.5876 0.0303  0.0088  0.0110  19 TYR G CE2 
1356 C CZ  . TYR G 19 ? 0.5774 0.3945 0.6301 0.0351  0.0141  0.0027  19 TYR G CZ  
1357 O OH  . TYR G 19 ? 0.6154 0.4268 0.6626 0.0213  0.0252  -0.0008 19 TYR G OH  
1358 N N   . CYS G 20 ? 0.6660 0.5056 0.7200 0.0781  -0.0496 0.0112  20 CYS G N   
1359 C CA  . CYS G 20 ? 0.6471 0.4720 0.6835 0.0843  -0.0643 0.0160  20 CYS G CA  
1360 C C   . CYS G 20 ? 0.6887 0.5353 0.7471 0.0945  -0.0806 0.0102  20 CYS G C   
1361 O O   . CYS G 20 ? 0.6854 0.5638 0.7759 0.0941  -0.0793 0.0024  20 CYS G O   
1362 C CB  . CYS G 20 ? 0.6137 0.4280 0.6302 0.0718  -0.0625 0.0187  20 CYS G CB  
1363 S SG  . CYS G 20 ? 0.5668 0.3557 0.5627 0.0618  -0.0431 0.0289  20 CYS G SG  
1364 N N   . ASN G 21 ? 0.6133 0.4426 0.6557 0.1036  -0.0962 0.0155  21 ASN G N   
1365 C CA  . ASN G 21 ? 0.6083 0.4558 0.6719 0.1133  -0.1155 0.0134  21 ASN G CA  
1366 C C   . ASN G 21 ? 0.6172 0.4805 0.6860 0.1013  -0.1264 0.0113  21 ASN G C   
1367 O O   . ASN G 21 ? 0.6686 0.5589 0.7674 0.1051  -0.1414 0.0096  21 ASN G O   
1368 C CB  . ASN G 21 ? 0.6140 0.4339 0.6545 0.1248  -0.1308 0.0207  21 ASN G CB  
1369 C CG  . ASN G 21 ? 0.6332 0.4396 0.6722 0.1378  -0.1239 0.0225  21 ASN G CG  
1370 O OD1 . ASN G 21 ? 0.7611 0.5829 0.8226 0.1415  -0.1113 0.0171  21 ASN G OD1 
1371 N ND2 . ASN G 21 ? 0.6264 0.4004 0.6351 0.1439  -0.1319 0.0302  21 ASN G ND2 
1372 O OXT . ASN G 21 ? 0.5850 0.4336 0.6284 0.0872  -0.1208 0.0123  21 ASN G OXT 
1373 N N   . PHE H 1  ? 0.7813 0.5767 0.4750 -0.0384 0.0198  -0.1650 1  PHE H N   
1374 C CA  . PHE H 1  ? 0.7528 0.5759 0.4211 -0.0387 0.0010  -0.1491 1  PHE H CA  
1375 C C   . PHE H 1  ? 0.7533 0.6095 0.4714 -0.0362 -0.0107 -0.1224 1  PHE H C   
1376 O O   . PHE H 1  ? 0.6943 0.5624 0.4365 -0.0244 0.0048  -0.1010 1  PHE H O   
1377 C CB  . PHE H 1  ? 0.8313 0.6552 0.4592 -0.0281 0.0203  -0.1408 1  PHE H CB  
1378 C CG  . PHE H 1  ? 0.8236 0.6652 0.4163 -0.0302 -0.0004 -0.1246 1  PHE H CG  
1379 C CD1 . PHE H 1  ? 0.8581 0.7048 0.4354 -0.0405 -0.0358 -0.1300 1  PHE H CD1 
1380 C CD2 . PHE H 1  ? 0.8632 0.7158 0.4421 -0.0220 0.0132  -0.1032 1  PHE H CD2 
1381 C CE1 . PHE H 1  ? 0.9297 0.7879 0.4762 -0.0403 -0.0585 -0.1139 1  PHE H CE1 
1382 C CE2 . PHE H 1  ? 0.9109 0.7728 0.4570 -0.0246 -0.0079 -0.0865 1  PHE H CE2 
1383 C CZ  . PHE H 1  ? 0.9746 0.8373 0.5035 -0.0326 -0.0445 -0.0914 1  PHE H CZ  
1384 N N   . VAL H 2  ? 0.7831 0.6560 0.5164 -0.0471 -0.0387 -0.1258 2  VAL H N   
1385 C CA  . VAL H 2  ? 0.7078 0.6139 0.4927 -0.0459 -0.0472 -0.1066 2  VAL H CA  
1386 C C   . VAL H 2  ? 0.7284 0.6571 0.5045 -0.0331 -0.0533 -0.0843 2  VAL H C   
1387 O O   . VAL H 2  ? 0.6078 0.5550 0.4180 -0.0250 -0.0449 -0.0651 2  VAL H O   
1388 C CB  . VAL H 2  ? 0.6570 0.5805 0.4668 -0.0613 -0.0741 -0.1198 2  VAL H CB  
1389 C CG1 . VAL H 2  ? 0.5414 0.5048 0.4047 -0.0595 -0.0795 -0.1026 2  VAL H CG1 
1390 C CG2 . VAL H 2  ? 0.5892 0.4865 0.4113 -0.0769 -0.0682 -0.1410 2  VAL H CG2 
1391 N N   . ASN H 3  ? 0.8100 0.7343 0.5373 -0.0320 -0.0691 -0.0861 3  ASN H N   
1392 C CA  . ASN H 3  ? 0.7752 0.7168 0.4957 -0.0221 -0.0817 -0.0651 3  ASN H CA  
1393 C C   . ASN H 3  ? 0.6084 0.5492 0.3340 -0.0110 -0.0556 -0.0453 3  ASN H C   
1394 O O   . ASN H 3  ? 0.6577 0.6176 0.4081 -0.0027 -0.0602 -0.0273 3  ASN H O   
1395 C CB  . ASN H 3  ? 0.9964 0.9250 0.6560 -0.0251 -0.1041 -0.0683 3  ASN H CB  
1396 C CG  . ASN H 3  ? 1.1488 1.0978 0.8181 -0.0197 -0.1386 -0.0570 3  ASN H CG  
1397 O OD1 . ASN H 3  ? 1.1508 1.1068 0.8254 -0.0093 -0.1390 -0.0365 3  ASN H OD1 
1398 N ND2 . ASN H 3  ? 1.3158 1.2742 0.9907 -0.0262 -0.1696 -0.0718 3  ASN H ND2 
1399 N N   . GLN H 4  ? 0.6063 0.5264 0.3110 -0.0103 -0.0287 -0.0503 4  GLN H N   
1400 C CA  . GLN H 4  ? 0.6696 0.5936 0.3902 -0.0001 -0.0042 -0.0333 4  GLN H CA  
1401 C C   . GLN H 4  ? 0.5684 0.5062 0.3464 0.0049  0.0024  -0.0241 4  GLN H C   
1402 O O   . GLN H 4  ? 0.5392 0.4923 0.3380 0.0130  0.0055  -0.0049 4  GLN H O   
1403 C CB  . GLN H 4  ? 0.6559 0.5598 0.3527 0.0011  0.0243  -0.0447 4  GLN H CB  
1404 C CG  . GLN H 4  ? 0.6683 0.5783 0.4015 0.0123  0.0501  -0.0328 4  GLN H CG  
1405 C CD  . GLN H 4  ? 0.8104 0.7051 0.5285 0.0160  0.0790  -0.0478 4  GLN H CD  
1406 O OE1 . GLN H 4  ? 0.8849 0.7769 0.6401 0.0256  0.0975  -0.0488 4  GLN H OE1 
1407 N NE2 . GLN H 4  ? 0.9333 0.8178 0.5961 0.0092  0.0829  -0.0601 4  GLN H NE2 
1408 N N   . HIS H 5  ? 0.5303 0.4608 0.3315 -0.0017 0.0038  -0.0374 5  HIS H N   
1409 C CA  . HIS H 5  ? 0.4397 0.3800 0.2886 -0.0003 0.0101  -0.0267 5  HIS H CA  
1410 C C   . HIS H 5  ? 0.4390 0.4106 0.3099 0.0008  -0.0067 -0.0139 5  HIS H C   
1411 O O   . HIS H 5  ? 0.4328 0.4170 0.3314 0.0060  0.0005  0.0015  5  HIS H O   
1412 C CB  . HIS H 5  ? 0.4553 0.3787 0.3211 -0.0120 0.0121  -0.0427 5  HIS H CB  
1413 C CG  . HIS H 5  ? 0.4051 0.3318 0.3127 -0.0136 0.0206  -0.0294 5  HIS H CG  
1414 N ND1 . HIS H 5  ? 0.3831 0.3346 0.3187 -0.0229 0.0102  -0.0241 5  HIS H ND1 
1415 C CD2 . HIS H 5  ? 0.4320 0.3404 0.3567 -0.0074 0.0382  -0.0198 5  HIS H CD2 
1416 C CE1 . HIS H 5  ? 0.3729 0.3195 0.3346 -0.0246 0.0226  -0.0104 5  HIS H CE1 
1417 N NE2 . HIS H 5  ? 0.4151 0.3335 0.3703 -0.0148 0.0374  -0.0065 5  HIS H NE2 
1418 N N   . LEU H 6  ? 0.5050 0.4891 0.3636 -0.0031 -0.0301 -0.0212 6  LEU H N   
1419 C CA  . LEU H 6  ? 0.4516 0.4661 0.3331 0.0018  -0.0463 -0.0121 6  LEU H CA  
1420 C C   . LEU H 6  ? 0.4652 0.4818 0.3332 0.0145  -0.0460 0.0056  6  LEU H C   
1421 O O   . LEU H 6  ? 0.4470 0.4827 0.3399 0.0214  -0.0470 0.0163  6  LEU H O   
1422 C CB  . LEU H 6  ? 0.3980 0.4252 0.2757 -0.0035 -0.0747 -0.0257 6  LEU H CB  
1423 C CG  . LEU H 6  ? 0.3898 0.4188 0.2855 -0.0190 -0.0795 -0.0450 6  LEU H CG  
1424 C CD1 . LEU H 6  ? 0.4007 0.4479 0.2973 -0.0224 -0.1124 -0.0578 6  LEU H CD1 
1425 C CD2 . LEU H 6  ? 0.3550 0.4016 0.2993 -0.0256 -0.0645 -0.0413 6  LEU H CD2 
1426 N N   . CYS H 7  ? 0.3892 0.3861 0.2167 0.0161  -0.0438 0.0080  7  CYS H N   
1427 C CA  . CYS H 7  ? 0.4153 0.4122 0.2312 0.0244  -0.0430 0.0257  7  CYS H CA  
1428 C C   . CYS H 7  ? 0.4471 0.4486 0.2892 0.0302  -0.0215 0.0379  7  CYS H C   
1429 O O   . CYS H 7  ? 0.4353 0.4483 0.2911 0.0370  -0.0258 0.0511  7  CYS H O   
1430 C CB  . CYS H 7  ? 0.4635 0.4392 0.2289 0.0207  -0.0409 0.0267  7  CYS H CB  
1431 S SG  . CYS H 7  ? 0.4350 0.4084 0.1879 0.0256  -0.0361 0.0501  7  CYS H SG  
1432 N N   . GLY H 8  ? 0.4548 0.4455 0.3043 0.0284  -0.0005 0.0328  8  GLY H N   
1433 C CA  . GLY H 8  ? 0.3627 0.3566 0.2386 0.0351  0.0161  0.0450  8  GLY H CA  
1434 C C   . GLY H 8  ? 0.4301 0.4398 0.3381 0.0364  0.0115  0.0522  8  GLY H C   
1435 O O   . GLY H 8  ? 0.3714 0.3872 0.2956 0.0428  0.0175  0.0661  8  GLY H O   
1436 N N   . SER H 9  ? 0.4068 0.4252 0.3239 0.0294  0.0012  0.0425  9  SER H N   
1437 C CA  . SER H 9  ? 0.3673 0.4057 0.3120 0.0286  -0.0004 0.0482  9  SER H CA  
1438 C C   . SER H 9  ? 0.4020 0.4588 0.3485 0.0379  -0.0112 0.0571  9  SER H C   
1439 O O   . SER H 9  ? 0.4051 0.4721 0.3652 0.0415  -0.0064 0.0672  9  SER H O   
1440 C CB  . SER H 9  ? 0.3137 0.3641 0.2724 0.0175  -0.0082 0.0340  9  SER H CB  
1441 O OG  . SER H 9  ? 0.3792 0.4547 0.3637 0.0154  -0.0069 0.0384  9  SER H OG  
1442 N N   . HIS H 10 ? 0.3373 0.3950 0.2670 0.0416  -0.0275 0.0533  10 HIS H N   
1443 C CA  . HIS H 10 ? 0.4345 0.5023 0.3651 0.0509  -0.0402 0.0602  10 HIS H CA  
1444 C C   . HIS H 10 ? 0.3310 0.3850 0.2536 0.0537  -0.0325 0.0729  10 HIS H C   
1445 O O   . HIS H 10 ? 0.4194 0.4703 0.3547 0.0523  -0.0366 0.0700  10 HIS H O   
1446 C CB  . HIS H 10 ? 0.5105 0.5775 0.4271 0.0536  -0.0635 0.0532  10 HIS H CB  
1447 C CG  . HIS H 10 ? 0.4678 0.5541 0.4034 0.0509  -0.0752 0.0375  10 HIS H CG  
1448 N ND1 . HIS H 10 ? 0.4729 0.5856 0.4359 0.0585  -0.0871 0.0309  10 HIS H ND1 
1449 C CD2 . HIS H 10 ? 0.4073 0.4929 0.3423 0.0411  -0.0771 0.0252  10 HIS H CD2 
1450 C CE1 . HIS H 10 ? 0.3919 0.5236 0.3748 0.0533  -0.0951 0.0162  10 HIS H CE1 
1451 N NE2 . HIS H 10 ? 0.3641 0.4787 0.3297 0.0418  -0.0906 0.0130  10 HIS H NE2 
1452 N N   . LEU H 11 ? 0.4269 0.4673 0.3355 0.0520  -0.0189 0.0785  11 LEU H N   
1453 C CA  . LEU H 11 ? 0.4177 0.4500 0.3307 0.0507  -0.0109 0.0848  11 LEU H CA  
1454 C C   . LEU H 11 ? 0.3026 0.3427 0.2429 0.0526  -0.0034 0.0886  11 LEU H C   
1455 O O   . LEU H 11 ? 0.2832 0.3231 0.2340 0.0499  -0.0073 0.0869  11 LEU H O   
1456 C CB  . LEU H 11 ? 0.4306 0.4525 0.3218 0.0511  0.0048  0.0895  11 LEU H CB  
1457 C CG  . LEU H 11 ? 0.4507 0.4606 0.3092 0.0443  -0.0015 0.0871  11 LEU H CG  
1458 C CD1 . LEU H 11 ? 0.4810 0.4810 0.3189 0.0410  0.0195  0.0826  11 LEU H CD1 
1459 C CD2 . LEU H 11 ? 0.4484 0.4543 0.3177 0.0380  -0.0104 0.0904  11 LEU H CD2 
1460 N N   . VAL H 12 ? 0.2789 0.3221 0.2269 0.0561  0.0061  0.0945  12 VAL H N   
1461 C CA  . VAL H 12 ? 0.2895 0.3363 0.2582 0.0563  0.0106  0.0988  12 VAL H CA  
1462 C C   . VAL H 12 ? 0.3981 0.4555 0.3717 0.0531  0.0009  0.0924  12 VAL H C   
1463 O O   . VAL H 12 ? 0.2863 0.3441 0.2671 0.0515  -0.0005 0.0920  12 VAL H O   
1464 C CB  . VAL H 12 ? 0.2579 0.2957 0.2312 0.0588  0.0227  0.1091  12 VAL H CB  
1465 C CG1 . VAL H 12 ? 0.2813 0.3023 0.2552 0.0611  0.0352  0.1052  12 VAL H CG1 
1466 C CG2 . VAL H 12 ? 0.2633 0.3040 0.2346 0.0497  0.0208  0.0980  12 VAL H CG2 
1467 N N   . GLU H 13 ? 0.3514 0.4192 0.3201 0.0536  -0.0060 0.0877  13 GLU H N   
1468 C CA  . GLU H 13 ? 0.3778 0.4577 0.3508 0.0541  -0.0130 0.0813  13 GLU H CA  
1469 C C   . GLU H 13 ? 0.4193 0.4847 0.3891 0.0523  -0.0226 0.0728  13 GLU H C   
1470 O O   . GLU H 13 ? 0.4550 0.5205 0.4268 0.0521  -0.0253 0.0705  13 GLU H O   
1471 C CB  . GLU H 13 ? 0.5622 0.6646 0.5377 0.0580  -0.0198 0.0766  13 GLU H CB  
1472 C CG  . GLU H 13 ? 0.6291 0.7466 0.6112 0.0623  -0.0272 0.0665  13 GLU H CG  
1473 C CD  . GLU H 13 ? 0.8222 0.9776 0.8205 0.0664  -0.0311 0.0587  13 GLU H CD  
1474 O OE1 . GLU H 13 ? 0.8147 0.9713 0.8207 0.0553  -0.0219 0.0567  13 GLU H OE1 
1475 O OE2 . GLU H 13 ? 0.6876 0.8588 0.6960 0.0734  -0.0387 0.0458  13 GLU H OE2 
1476 N N   . ALA H 14 ? 0.2642 0.3156 0.2255 0.0503  -0.0289 0.0705  14 ALA H N   
1477 C CA  . ALA H 14 ? 0.3450 0.3792 0.3019 0.0467  -0.0386 0.0672  14 ALA H CA  
1478 C C   . ALA H 14 ? 0.3601 0.3917 0.3220 0.0446  -0.0324 0.0718  14 ALA H C   
1479 O O   . ALA H 14 ? 0.3598 0.3893 0.3235 0.0450  -0.0384 0.0713  14 ALA H O   
1480 C CB  . ALA H 14 ? 0.3421 0.3616 0.2839 0.0439  -0.0458 0.0683  14 ALA H CB  
1481 N N   . LEU H 15 ? 0.3711 0.4100 0.3388 0.0455  -0.0199 0.0796  15 LEU H N   
1482 C CA  . LEU H 15 ? 0.3619 0.4043 0.3409 0.0453  -0.0154 0.0853  15 LEU H CA  
1483 C C   . LEU H 15 ? 0.3465 0.3929 0.3303 0.0458  -0.0182 0.0840  15 LEU H C   
1484 O O   . LEU H 15 ? 0.3586 0.4069 0.3473 0.0456  -0.0223 0.0866  15 LEU H O   
1485 C CB  . LEU H 15 ? 0.3792 0.4293 0.3677 0.0497  -0.0017 0.0954  15 LEU H CB  
1486 C CG  . LEU H 15 ? 0.3282 0.3778 0.3105 0.0510  0.0055  0.1017  15 LEU H CG  
1487 C CD1 . LEU H 15 ? 0.3529 0.4074 0.3457 0.0600  0.0224  0.1125  15 LEU H CD1 
1488 C CD2 . LEU H 15 ? 0.4461 0.4971 0.4308 0.0466  0.0010  0.1054  15 LEU H CD2 
1489 N N   . TYR H 16 ? 0.3175 0.3687 0.2991 0.0471  -0.0158 0.0830  16 TYR H N   
1490 C CA  . TYR H 16 ? 0.3962 0.4514 0.3764 0.0474  -0.0176 0.0844  16 TYR H CA  
1491 C C   . TYR H 16 ? 0.4141 0.4687 0.3883 0.0482  -0.0278 0.0787  16 TYR H C   
1492 O O   . TYR H 16 ? 0.3923 0.4468 0.3642 0.0486  -0.0324 0.0812  16 TYR H O   
1493 C CB  . TYR H 16 ? 0.4221 0.4899 0.4005 0.0491  -0.0108 0.0889  16 TYR H CB  
1494 C CG  . TYR H 16 ? 0.4322 0.5081 0.4032 0.0495  -0.0114 0.0927  16 TYR H CG  
1495 C CD1 . TYR H 16 ? 0.4593 0.5281 0.4279 0.0476  -0.0110 0.1015  16 TYR H CD1 
1496 C CD2 . TYR H 16 ? 0.4573 0.5498 0.4214 0.0530  -0.0131 0.0881  16 TYR H CD2 
1497 C CE1 . TYR H 16 ? 0.5172 0.5908 0.4716 0.0467  -0.0123 0.1064  16 TYR H CE1 
1498 C CE2 . TYR H 16 ? 0.3691 0.4736 0.3210 0.0538  -0.0117 0.0924  16 TYR H CE2 
1499 C CZ  . TYR H 16 ? 0.4009 0.4932 0.3454 0.0491  -0.0113 0.1021  16 TYR H CZ  
1500 O OH  . TYR H 16 ? 0.5291 0.6290 0.4535 0.0477  -0.0105 0.1070  16 TYR H OH  
1501 N N   . LEU H 17 ? 0.3634 0.4150 0.3341 0.0492  -0.0340 0.0712  17 LEU H N   
1502 C CA  . LEU H 17 ? 0.3403 0.3870 0.3069 0.0510  -0.0463 0.0658  17 LEU H CA  
1503 C C   . LEU H 17 ? 0.3437 0.3777 0.3104 0.0490  -0.0538 0.0683  17 LEU H C   
1504 O O   . LEU H 17 ? 0.3117 0.3409 0.2752 0.0498  -0.0635 0.0674  17 LEU H O   
1505 C CB  . LEU H 17 ? 0.3011 0.3474 0.2687 0.0533  -0.0536 0.0586  17 LEU H CB  
1506 C CG  . LEU H 17 ? 0.3820 0.4502 0.3514 0.0606  -0.0505 0.0531  17 LEU H CG  
1507 C CD1 . LEU H 17 ? 0.4147 0.5019 0.3849 0.0619  -0.0364 0.0591  17 LEU H CD1 
1508 C CD2 . LEU H 17 ? 0.3830 0.4519 0.3596 0.0648  -0.0607 0.0456  17 LEU H CD2 
1509 N N   . VAL H 18 ? 0.3503 0.3796 0.3189 0.0468  -0.0499 0.0718  18 VAL H N   
1510 C CA  . VAL H 18 ? 0.3843 0.4054 0.3523 0.0457  -0.0552 0.0753  18 VAL H CA  
1511 C C   . VAL H 18 ? 0.4542 0.4857 0.4336 0.0447  -0.0519 0.0821  18 VAL H C   
1512 O O   . VAL H 18 ? 0.6367 0.6652 0.6161 0.0455  -0.0609 0.0828  18 VAL H O   
1513 C CB  . VAL H 18 ? 0.4537 0.4705 0.4189 0.0426  -0.0500 0.0799  18 VAL H CB  
1514 C CG1 . VAL H 18 ? 0.6239 0.6398 0.5928 0.0393  -0.0508 0.0882  18 VAL H CG1 
1515 C CG2 . VAL H 18 ? 0.4685 0.4697 0.4184 0.0446  -0.0594 0.0736  18 VAL H CG2 
1516 N N   . CYS H 19 ? 0.4316 0.4747 0.4210 0.0442  -0.0409 0.0874  19 CYS H N   
1517 C CA  . CYS H 19 ? 0.5065 0.5583 0.5093 0.0445  -0.0404 0.0952  19 CYS H CA  
1518 C C   . CYS H 19 ? 0.3751 0.4249 0.3699 0.0468  -0.0499 0.0935  19 CYS H C   
1519 O O   . CYS H 19 ? 0.4834 0.5340 0.4817 0.0475  -0.0595 0.0958  19 CYS H O   
1520 C CB  . CYS H 19 ? 0.5403 0.5995 0.5547 0.0462  -0.0284 0.1013  19 CYS H CB  
1521 S SG  . CYS H 19 ? 0.4491 0.5099 0.4674 0.0457  -0.0173 0.1039  19 CYS H SG  
1522 N N   . GLY H 20 ? 0.3859 0.4343 0.3691 0.0481  -0.0481 0.0902  20 GLY H N   
1523 C CA  . GLY H 20 ? 0.4738 0.5195 0.4437 0.0500  -0.0571 0.0897  20 GLY H CA  
1524 C C   . GLY H 20 ? 0.4423 0.4910 0.4164 0.0512  -0.0579 0.0995  20 GLY H C   
1525 O O   . GLY H 20 ? 0.5098 0.5614 0.4915 0.0512  -0.0486 0.1060  20 GLY H O   
1526 N N   . GLU H 21 ? 0.4253 0.4709 0.3934 0.0534  -0.0716 0.1006  21 GLU H N   
1527 C CA  . GLU H 21 ? 0.4928 0.5394 0.4625 0.0562  -0.0771 0.1103  21 GLU H CA  
1528 C C   . GLU H 21 ? 0.4184 0.4743 0.4176 0.0572  -0.0725 0.1180  21 GLU H C   
1529 O O   . GLU H 21 ? 0.4418 0.4972 0.4467 0.0609  -0.0746 0.1269  21 GLU H O   
1530 C CB  . GLU H 21 ? 0.5212 0.5640 0.4763 0.0601  -0.0953 0.1083  21 GLU H CB  
1531 C CG  . GLU H 21 ? 0.5976 0.6290 0.5189 0.0602  -0.1023 0.1019  21 GLU H CG  
1532 C CD  . GLU H 21 ? 0.6892 0.7170 0.5934 0.0665  -0.1209 0.0963  21 GLU H CD  
1533 O OE1 . GLU H 21 ? 0.7249 0.7595 0.6399 0.0691  -0.1241 0.0874  21 GLU H OE1 
1534 O OE2 . GLU H 21 ? 0.7252 0.7485 0.6067 0.0686  -0.1289 0.1006  21 GLU H OE2 
1535 N N   . ARG H 22 ? 0.3880 0.4512 0.4049 0.0545  -0.0672 0.1155  22 ARG H N   
1536 C CA  . ARG H 22 ? 0.4912 0.5656 0.5371 0.0558  -0.0621 0.1229  22 ARG H CA  
1537 C C   . ARG H 22 ? 0.5566 0.6288 0.6082 0.0590  -0.0496 0.1266  22 ARG H C   
1538 O O   . ARG H 22 ? 0.4970 0.5730 0.5678 0.0649  -0.0500 0.1337  22 ARG H O   
1539 C CB  . ARG H 22 ? 0.5196 0.6008 0.5775 0.0510  -0.0578 0.1212  22 ARG H CB  
1540 C CG  . ARG H 22 ? 0.4759 0.5576 0.5316 0.0477  -0.0714 0.1186  22 ARG H CG  
1541 C CD  . ARG H 22 ? 0.5128 0.5983 0.5780 0.0413  -0.0671 0.1205  22 ARG H CD  
1542 N NE  . ARG H 22 ? 0.5180 0.5866 0.5575 0.0399  -0.0695 0.1106  22 ARG H NE  
1543 C CZ  . ARG H 22 ? 0.5732 0.6375 0.6114 0.0349  -0.0679 0.1120  22 ARG H CZ  
1544 N NH1 . ARG H 22 ? 0.5849 0.6679 0.6505 0.0272  -0.0619 0.1292  22 ARG H NH1 
1545 N NH2 . ARG H 22 ? 0.6355 0.6827 0.6506 0.0369  -0.0728 0.1024  22 ARG H NH2 
1546 N N   . GLY H 23 ? 0.3817 0.6625 0.6841 0.0153  0.0459  0.1777  23 GLY H N   
1547 C CA  . GLY H 23 ? 0.4370 0.6829 0.6965 0.0237  0.0585  0.1898  23 GLY H CA  
1548 C C   . GLY H 23 ? 0.3551 0.5654 0.6129 0.0255  0.0607  0.1901  23 GLY H C   
1549 O O   . GLY H 23 ? 0.4806 0.6888 0.7649 0.0193  0.0571  0.1882  23 GLY H O   
1550 N N   . PHE H 24 ? 0.4285 0.6173 0.6604 0.0350  0.0668  0.1928  24 PHE H N   
1551 C CA  . PHE H 24 ? 0.4127 0.5834 0.6420 0.0390  0.0713  0.1923  24 PHE H CA  
1552 C C   . PHE H 24 ? 0.4825 0.6448 0.6994 0.0500  0.0794  0.1954  24 PHE H C   
1553 O O   . PHE H 24 ? 0.4635 0.6245 0.6716 0.0539  0.0799  0.1960  24 PHE H O   
1554 C CB  . PHE H 24 ? 0.3558 0.5129 0.5768 0.0344  0.0700  0.1826  24 PHE H CB  
1555 C CG  . PHE H 24 ? 0.4185 0.5668 0.6210 0.0340  0.0703  0.1729  24 PHE H CG  
1556 C CD1 . PHE H 24 ? 0.3953 0.5329 0.5841 0.0385  0.0748  0.1708  24 PHE H CD1 
1557 C CD2 . PHE H 24 ? 0.3449 0.4993 0.5503 0.0275  0.0696  0.1655  24 PHE H CD2 
1558 C CE1 . PHE H 24 ? 0.2917 0.4222 0.4743 0.0358  0.0756  0.1646  24 PHE H CE1 
1559 C CE2 . PHE H 24 ? 0.3070 0.4549 0.5017 0.0263  0.0736  0.1582  24 PHE H CE2 
1560 C CZ  . PHE H 24 ? 0.2817 0.4165 0.4675 0.0300  0.0750  0.1591  24 PHE H CZ  
1561 N N   . PHE H 25 ? 0.6660 0.8250 0.8869 0.0547  0.0892  0.1986  25 PHE H N   
1562 C CA  . PHE H 25 ? 0.6763 0.8258 0.8876 0.0639  0.1031  0.1984  25 PHE H CA  
1563 C C   . PHE H 25 ? 0.6919 0.8317 0.8807 0.0604  0.1093  0.1890  25 PHE H C   
1564 O O   . PHE H 25 ? 0.7010 0.8460 0.8885 0.0561  0.1113  0.1912  25 PHE H O   
1565 C CB  . PHE H 25 ? 0.7134 0.8711 0.9457 0.0715  0.1173  0.2097  25 PHE H CB  
1566 C CG  . PHE H 25 ? 0.6760 0.8410 0.9321 0.0784  0.1166  0.2244  25 PHE H CG  
1567 C CD1 . PHE H 25 ? 0.6789 0.8331 0.9375 0.0889  0.1288  0.2292  25 PHE H CD1 
1568 C CD2 . PHE H 25 ? 0.5932 0.7781 0.8752 0.0729  0.1050  0.2365  25 PHE H CD2 
1569 C CE1 . PHE H 25 ? 0.5924 0.7550 0.8796 0.0946  0.1288  0.2496  25 PHE H CE1 
1570 C CE2 . PHE H 25 ? 0.5580 0.7570 0.8652 0.0770  0.1033  0.2548  25 PHE H CE2 
1571 C CZ  . PHE H 25 ? 0.5437 0.7312 0.8534 0.0880  0.1151  0.2634  25 PHE H CZ  
1572 N N   . TYR H 26 ? 0.6410 0.7688 0.8159 0.0614  0.1133  0.1833  26 TYR H N   
1573 C CA  . TYR H 26 ? 0.5649 0.6857 0.7179 0.0568  0.1198  0.1795  26 TYR H CA  
1574 C C   . TYR H 26 ? 0.5846 0.6961 0.7236 0.0659  0.1441  0.1803  26 TYR H C   
1575 O O   . TYR H 26 ? 0.5762 0.6780 0.7287 0.0721  0.1509  0.1809  26 TYR H O   
1576 C CB  . TYR H 26 ? 0.4751 0.5903 0.6296 0.0484  0.1077  0.1748  26 TYR H CB  
1577 C CG  . TYR H 26 ? 0.4390 0.5488 0.5759 0.0423  0.1123  0.1787  26 TYR H CG  
1578 C CD1 . TYR H 26 ? 0.3617 0.4780 0.4886 0.0362  0.1056  0.1860  26 TYR H CD1 
1579 C CD2 . TYR H 26 ? 0.4114 0.5073 0.5435 0.0420  0.1234  0.1812  26 TYR H CD2 
1580 C CE1 . TYR H 26 ? 0.3275 0.4365 0.4284 0.0303  0.1049  0.1984  26 TYR H CE1 
1581 C CE2 . TYR H 26 ? 0.3964 0.4817 0.5045 0.0356  0.1234  0.1900  26 TYR H CE2 
1582 C CZ  . TYR H 26 ? 0.3834 0.4756 0.4692 0.0304  0.1114  0.2008  26 TYR H CZ  
1583 O OH  . TYR H 26 ? 0.3789 0.4510 0.4266 0.0267  0.0862  0.1906  26 TYR H OH  
1584 N N   . THR H 27 ? 0.5738 0.6876 0.6850 0.0678  0.1609  0.1815  27 THR H N   
1585 C CA  . THR H 27 ? 0.6219 0.7261 0.7054 0.0800  0.1920  0.1765  27 THR H CA  
1586 C C   . THR H 27 ? 0.5800 0.6759 0.6031 0.0767  0.1994  0.1775  27 THR H C   
1587 O O   . THR H 27 ? 0.6243 0.7284 0.6172 0.0719  0.1990  0.1843  27 THR H O   
1588 C CB  . THR H 27 ? 0.6895 0.8044 0.7797 0.0908  0.2130  0.1753  27 THR H CB  
1589 O OG1 . THR H 27 ? 0.7510 0.8823 0.8474 0.0811  0.2025  0.1852  27 THR H OG1 
1590 C CG2 . THR H 27 ? 0.6977 0.8130 0.8378 0.1002  0.2129  0.1774  27 THR H CG2 
1591 N N   . PRO H 28 ? 0.6202 0.6909 0.6221 0.0765  0.1917  0.1646  28 PRO H N   
1592 C CA  . PRO H 28 ? 0.7255 0.7742 0.6566 0.0728  0.1735  0.1497  28 PRO H CA  
1593 C C   . PRO H 28 ? 0.8558 0.8931 0.7199 0.0896  0.2010  0.1280  28 PRO H C   
1594 O O   . PRO H 28 ? 0.8568 0.8965 0.7417 0.1057  0.2326  0.1163  28 PRO H O   
1595 C CB  . PRO H 28 ? 0.6367 0.6553 0.5865 0.0648  0.1399  0.1264  28 PRO H CB  
1596 C CG  . PRO H 28 ? 0.5799 0.5941 0.5883 0.0718  0.1550  0.1217  28 PRO H CG  
1597 C CD  . PRO H 28 ? 0.5442 0.5962 0.5907 0.0749  0.1781  0.1525  28 PRO H CD  
1598 N N   . LYS H 29 ? 0.9630 0.9886 0.7447 0.0871  0.1887  0.1229  29 LYS H N   
1599 C CA  . LYS H 29 ? 1.1849 1.1998 0.8811 0.1033  0.2166  0.0997  29 LYS H CA  
1600 C C   . LYS H 29 ? 1.2227 1.1988 0.9104 0.1159  0.2133  0.0458  29 LYS H C   
1601 O O   . LYS H 29 ? 1.3031 1.2680 0.9349 0.1345  0.2439  0.0152  29 LYS H O   
1602 C CB  . LYS H 29 ? 1.3322 1.3404 0.9290 0.0965  0.1960  0.1089  29 LYS H CB  
1603 C CG  . LYS H 29 ? 1.3226 1.2969 0.8923 0.0858  0.1365  0.0839  29 LYS H CG  
1604 C CD  . LYS H 29 ? 1.4388 1.3771 0.9119 0.0981  0.1310  0.0314  29 LYS H CD  
1605 C CE  . LYS H 29 ? 1.5394 1.4421 1.0231 0.0868  0.0695  -0.0032 29 LYS H CE  
1606 N NZ  . LYS H 29 ? 1.6866 1.5500 1.0728 0.0980  0.0570  -0.0615 29 LYS H NZ  
1607 O OXT . LYS H 29 ? 1.1896 1.1437 0.9304 0.1079  0.1817  0.0311  29 LYS H OXT 
# 
