data_9LVC
# 
_entry.id   9LVC 
# 
_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   9LVC         pdb_00009lvc 10.2210/pdb9lvc/pdb 
WWPDB D_1300056547 ?            ?                   
# 
_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                        9LVC 
_pdbx_database_status.recvd_initial_deposition_date   2025-02-12 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              esraayan20@ku.edu.tr 
_pdbx_contact_author.name_first         Esra 
_pdbx_contact_author.name_last          Ayan 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7906-4426 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Ayan, E.'      1 ? 
'Kepceoglu, A.' 2 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Temperature induces a shift from the dihexamer to the hexamer form of insulin' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Ayan, E.'      1 ? 
primary 'Kepceoglu, A.' 2 ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Insulin A chain' 2383.698 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   54 ? ? ? ? 
# 
_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 41 HOH HOH A . 
Y  7 HOH 2  102 12 HOH HOH A . 
Y  7 HOH 3  103 23 HOH HOH A . 
Y  7 HOH 4  104 8  HOH HOH A . 
Y  7 HOH 5  105 25 HOH HOH A . 
Y  7 HOH 6  106 27 HOH HOH A . 
Y  7 HOH 7  107 10 HOH HOH A . 
Y  7 HOH 8  108 17 HOH HOH A . 
Y  7 HOH 9  109 26 HOH HOH A . 
Z  7 HOH 1  201 44 HOH HOH B . 
Z  7 HOH 2  202 29 HOH HOH B . 
Z  7 HOH 3  203 13 HOH HOH B . 
Z  7 HOH 4  204 2  HOH HOH B . 
Z  7 HOH 5  205 37 HOH HOH B . 
Z  7 HOH 6  206 6  HOH HOH B . 
Z  7 HOH 7  207 21 HOH HOH B . 
Z  7 HOH 8  208 5  HOH HOH B . 
AA 7 HOH 1  101 32 HOH HOH C . 
AA 7 HOH 2  102 33 HOH HOH C . 
AA 7 HOH 3  103 48 HOH HOH C . 
AA 7 HOH 4  104 20 HOH HOH C . 
AA 7 HOH 5  105 39 HOH HOH C . 
AA 7 HOH 6  106 19 HOH HOH C . 
BA 7 HOH 1  201 35 HOH HOH D . 
BA 7 HOH 2  202 11 HOH HOH D . 
BA 7 HOH 3  203 46 HOH HOH D . 
CA 7 HOH 1  101 22 HOH HOH E . 
CA 7 HOH 2  102 15 HOH HOH E . 
CA 7 HOH 3  103 40 HOH HOH E . 
CA 7 HOH 4  104 54 HOH HOH E . 
CA 7 HOH 5  105 38 HOH HOH E . 
DA 7 HOH 1  201 53 HOH HOH F . 
DA 7 HOH 2  202 16 HOH HOH F . 
DA 7 HOH 3  203 36 HOH HOH F . 
DA 7 HOH 4  204 50 HOH HOH F . 
DA 7 HOH 5  205 7  HOH HOH F . 
DA 7 HOH 6  206 18 HOH HOH F . 
DA 7 HOH 7  207 1  HOH HOH F . 
DA 7 HOH 8  208 43 HOH HOH F . 
DA 7 HOH 9  209 49 HOH HOH F . 
DA 7 HOH 10 210 42 HOH HOH F . 
EA 7 HOH 1  101 24 HOH HOH G . 
EA 7 HOH 2  102 34 HOH HOH G . 
EA 7 HOH 3  103 4  HOH HOH G . 
EA 7 HOH 4  104 47 HOH HOH G . 
EA 7 HOH 5  105 52 HOH HOH G . 
EA 7 HOH 6  106 14 HOH HOH G . 
EA 7 HOH 7  107 3  HOH HOH G . 
EA 7 HOH 8  108 31 HOH HOH G . 
EA 7 HOH 9  109 45 HOH HOH G . 
FA 7 HOH 1  201 28 HOH HOH H . 
FA 7 HOH 2  202 30 HOH HOH H . 
FA 7 HOH 3  203 9  HOH HOH H . 
FA 7 HOH 4  204 51 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 A TYR 14 ? CD2 ? A TYR 14 CD2 
2 1 Y 0 B GLU 13 ? CD  ? B GLU 13 CD  
3 1 Y 0 D ASN 3  ? CG  ? D ASN 3  CG  
4 1 Y 0 D GLU 13 ? CD  ? D GLU 13 CD  
5 1 Y 0 F GLU 13 ? CD  ? F GLU 13 CD  
6 1 Y 0 G GLU 4  ? OE1 ? G GLU 4  OE1 
7 1 Y 0 H GLU 13 ? CD  ? H GLU 13 CD  
8 1 Y 0 H GLU 21 ? CG  ? H GLU 21 CG  
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX      ? ? ? '(1.20.1_4487: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000    ? ? ? .                    2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? CrysalisPro ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX      ? ? ? .                    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9LVC 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     79.064 
_cell.length_a_esd                 ? 
_cell.length_b                     79.064 
_cell.length_b_esd                 ? 
_cell.length_c                     79.496 
_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                         9LVC 
_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                   9LVC 
_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             2.09 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          41.18 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2M sodium acetate trihydrate, 0.1M tris hydrochloride pH 9' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'RIGAKU HyPix-Arc 150' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-09-17 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.5 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU PhotonJet-R' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.5 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9LVC 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.3 
_reflns.d_resolution_low                               19.77 
_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                                     8131 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.77 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                4.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          30.01 
_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                                   0.999 
_reflns.pdbx_CC_star                                   1 
_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                                    2.3 
_reflns_shell.d_res_low                                     2.382 
_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                             8131 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.99 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9LVC 
_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                            2.30 
_refine.ls_d_res_low                             19.77 
_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                     8131 
_refine.ls_number_reflns_R_free                  809 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.94 
_refine.ls_percent_reflns_R_free                 9.95 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2375 
_refine.ls_R_factor_R_free                       0.2868 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2321 
_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                          0.06 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 30.79 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.31 
_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             54 
_refine_hist.number_atoms_total               1742 
_refine_hist.d_res_high                       2.30 
_refine_hist.d_res_low                        19.77 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.002  ? ?   ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.381  ? ?   ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 14.517 ? 630 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.033  ? 244 ? 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' 2.30 2.38 . . 82 731 99.00  . . . . 0.2573 . . . . . . . . . . . 0.2653 
'X-RAY DIFFRACTION' 2.38 2.48 . . 84 715 98.00  . . . . 0.2601 . . . . . . . . . . . 0.3490 
'X-RAY DIFFRACTION' 2.48 2.59 . . 77 729 99.00  . . . . 0.2505 . . . . . . . . . . . 0.3193 
'X-RAY DIFFRACTION' 2.59 2.73 . . 82 737 99.00  . . . . 0.2573 . . . . . . . . . . . 0.2653 
'X-RAY DIFFRACTION' 2.73 2.90 . . 80 729 99.00  . . . . 0.2624 . . . . . . . . . . . 0.3198 
'X-RAY DIFFRACTION' 2.90 3.12 . . 83 745 99.00  . . . . 0.2464 . . . . . . . . . . . 0.2874 
'X-RAY DIFFRACTION' 3.12 3.43 . . 81 724 100.00 . . . . 0.2331 . . . . . . . . . . . 0.2837 
'X-RAY DIFFRACTION' 3.43 3.92 . . 83 741 100.00 . . . . 0.2224 . . . . . . . . . . . 0.2766 
'X-RAY DIFFRACTION' 3.93 4.93 . . 77 734 98.00  . . . . 0.1917 . . . . . . . . . . . 0.2713 
# 
_struct.entry_id                     9LVC 
_struct.title                        'Temperature induces a shift from the dihexamer to the hexamer form of insulin' 
_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        9LVC 
_struct_keywords.text            'insulin structure, hexamer form, temperature jump, 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 9LVC A 1 ? 21 ? P01308 90 ? 110 ? 1 21 
2 2 9LVC B 1 ? 29 ? P01308 25 ? 53  ? 1 29 
3 1 9LVC C 1 ? 21 ? P01308 90 ? 110 ? 1 21 
4 2 9LVC D 1 ? 29 ? P01308 25 ? 53  ? 1 29 
5 1 9LVC E 1 ? 21 ? P01308 90 ? 110 ? 1 21 
6 2 9LVC F 1 ? 29 ? P01308 25 ? 53  ? 1 29 
7 1 9LVC G 1 ? 21 ? P01308 90 ? 110 ? 1 21 
8 2 9LVC 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)' 21110 ? 
1 MORE         -560  ? 
1 'SSA (A^2)'  14140 ? 
2 'ABSA (A^2)' 18550 ? 
2 MORE         -578  ? 
2 'SSA (A^2)'  13810 ? 
# 
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_665 -y+1,x-y+1,z -0.5000000000 -0.8660254038 0.0000000000 39.5320000000  0.8660254038  
-0.5000000000 0.0000000000 68.4714325248 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
3 'crystal symmetry operation' 3_565 -x+y,-x+1,z  -0.5000000000 0.8660254038  0.0000000000 -39.5320000000 -0.8660254038 
-0.5000000000 0.0000000000 68.4714325248 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 GLU B 21 ? GLY B 23 ? GLU B 21 GLY B 23 5 ? 3  
HELX_P HELX_P6  AA6 ILE C 2  ? CYS C 7  ? ILE C 2  CYS C 7  1 ? 6  
HELX_P HELX_P7  AA7 SER C 12 ? ASN C 18 ? SER C 12 ASN C 18 1 ? 7  
HELX_P HELX_P8  AA8 VAL D 2  ? GLY D 20 ? VAL D 2  GLY D 20 1 ? 19 
HELX_P HELX_P9  AA9 GLU D 21 ? GLY D 23 ? GLU D 21 GLY D 23 5 ? 3  
HELX_P HELX_P10 AB1 ILE E 2  ? CYS E 6  ? ILE E 2  CYS E 6  1 ? 5  
HELX_P HELX_P11 AB2 SER E 12 ? GLU E 17 ? SER E 12 GLU E 17 1 ? 6  
HELX_P HELX_P12 AB3 ASN E 18 ? CYS E 20 ? ASN E 18 CYS E 20 5 ? 3  
HELX_P HELX_P13 AB4 VAL F 2  ? GLY F 20 ? VAL F 2  GLY F 20 1 ? 19 
HELX_P HELX_P14 AB5 GLU F 21 ? GLY F 23 ? GLU F 21 GLY F 23 5 ? 3  
HELX_P HELX_P15 AB6 ILE G 2  ? CYS G 7  ? ILE G 2  CYS G 7  1 ? 6  
HELX_P HELX_P16 AB7 SER G 12 ? ASN G 18 ? SER G 12 ASN G 18 1 ? 7  
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 ? ? ? ? ? ? ? 2.030 ? ? 
disulf4  disulf ?    ? C CYS 6  SG  ? ? ? 1_555 C CYS 11 SG  ? ? C CYS 6   C CYS 11  1_555 ? ? ? ? ? ? ? 2.032 ? ? 
disulf5  disulf ?    ? C CYS 7  SG  ? ? ? 1_555 D CYS 7  SG  ? ? C CYS 7   D CYS 7   1_555 ? ? ? ? ? ? ? 2.032 ? ? 
disulf6  disulf ?    ? C CYS 20 SG  ? ? ? 1_555 D CYS 19 SG  ? ? C CYS 20  D CYS 19  1_555 ? ? ? ? ? ? ? 2.031 ? ? 
disulf7  disulf ?    ? E CYS 6  SG  ? ? ? 1_555 E CYS 11 SG  ? ? E CYS 6   E CYS 11  1_555 ? ? ? ? ? ? ? 2.030 ? ? 
disulf8  disulf ?    ? E CYS 7  SG  ? ? ? 1_555 F CYS 7  SG  ? ? E CYS 7   F CYS 7   1_555 ? ? ? ? ? ? ? 2.031 ? ? 
disulf9  disulf ?    ? E CYS 20 SG  ? ? ? 1_555 F CYS 19 SG  ? ? E CYS 20  F CYS 19  1_555 ? ? ? ? ? ? ? 2.030 ? ? 
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 ? ? ? ? ? ? ? 2.034 ? ? 
disulf12 disulf ?    ? G CYS 20 SG  ? ? ? 1_555 H CYS 19 SG  ? ? G CYS 20  H CYS 19  1_555 ? ? ? ? ? ? ? 2.029 ? ? 
covale1  covale one  ? B LYS 29 NZ  ? ? ? 1_555 L MYR .  C1  ? ? B LYS 29  B MYR 104 1_555 ? ? ? ? ? ? ? 1.430 ? ? 
covale2  covale one  ? D LYS 29 NZ  ? ? ? 1_555 P MYR .  C1  ? ? D LYS 29  D MYR 104 1_555 ? ? ? ? ? ? ? 1.430 ? ? 
covale3  covale none ? P MYR .  C13 ? ? ? 1_555 T MYR .  C14 ? ? D MYR 104 F MYR 104 1_555 ? ? ? ? ? ? ? 1.491 ? ? 
covale4  covale one  ? F LYS 29 NZ  ? ? ? 1_555 T MYR .  C1  ? ? F LYS 29  F MYR 104 1_555 ? ? ? ? ? ? ? 1.430 ? ? 
covale5  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 2_665 ? ? ? ? ? ? ? 2.072 ? ? 
metalc3  metalc ?    ? D HIS 10 NE2 ? ? ? 1_555 N ZN  .  ZN  ? ? D HIS 10  D ZN  102 1_555 ? ? ? ? ? ? ? 2.297 ? ? 
metalc4  metalc ?    ? D HIS 10 NE2 ? ? ? 1_555 N ZN  .  ZN  ? ? D HIS 10  D ZN  102 2_665 ? ? ? ? ? ? ? 2.052 ? ? 
metalc5  metalc ?    ? F HIS 10 NE2 ? ? ? 1_555 R ZN  .  ZN  ? ? F HIS 10  F ZN  102 1_555 ? ? ? ? ? ? ? 2.298 ? ? 
metalc6  metalc ?    ? F HIS 10 NE2 ? ? ? 1_555 R ZN  .  ZN  ? ? F HIS 10  F ZN  102 2_665 ? ? ? ? ? ? ? 2.071 ? ? 
metalc7  metalc ?    ? H HIS 10 NE2 ? ? ? 1_555 V ZN  .  ZN  ? ? H HIS 10  H ZN  102 1_555 ? ? ? ? ? ? ? 2.298 ? ? 
metalc8  metalc ?    ? H HIS 10 NE2 ? ? ? 1_555 V ZN  .  ZN  ? ? H HIS 10  H ZN  102 2_665 ? ? ? ? ? ? ? 2.092 ? ? 
# 
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 T .  ? LYS F 29 ? MYR F 104 ? 1_555 LYS F 29 ? 1_555 C1 NZ LYS 1 MYR Myristoylation Lipid/lipid-like   
4  MYR X .  ? LYS H 29 ? MYR H 104 ? 1_555 LYS H 29 ? 1_555 C1 NZ LYS 1 MYR Myristoylation Lipid/lipid-like   
5  CYS A 6  ? CYS A 11 ? CYS A 6   ? 1_555 CYS A 11 ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
6  CYS A 7  ? CYS B 7  ? CYS A 7   ? 1_555 CYS B 7  ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
7  CYS A 20 ? CYS B 19 ? CYS A 20  ? 1_555 CYS B 19 ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
8  CYS C 6  ? CYS C 11 ? CYS C 6   ? 1_555 CYS C 11 ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
9  CYS C 7  ? CYS D 7  ? CYS C 7   ? 1_555 CYS D 7  ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
10 CYS C 20 ? CYS D 19 ? CYS C 20  ? 1_555 CYS D 19 ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
11 CYS E 6  ? CYS E 11 ? CYS E 6   ? 1_555 CYS E 11 ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
12 CYS E 7  ? CYS F 7  ? CYS E 7   ? 1_555 CYS F 7  ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
13 CYS E 20 ? CYS F 19 ? CYS E 20  ? 1_555 CYS F 19 ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
14 CYS G 6  ? CYS G 11 ? CYS G 6   ? 1_555 CYS G 11 ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
15 CYS G 7  ? CYS H 7  ? CYS G 7   ? 1_555 CYS H 7  ? 1_555 SG SG .   . .   None           'Disulfide bridge' 
16 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                   9LVC 
_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 OD1 G ASN 18  ? ? O G HOH 101 ? ? 1.91 
2 1 OH  D TYR 26  ? ? O D HOH 201 ? ? 1.94 
3 1 OD1 D ASN 3   ? ? O D HOH 202 ? ? 2.03 
4 1 O   E HOH 102 ? ? O E HOH 103 ? ? 2.08 
5 1 OE1 A GLN 5   ? ? O A HOH 101 ? ? 2.16 
6 1 OG  E SER 12  ? ? O E HOH 101 ? ? 2.16 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 CG2 A THR 8 ? ? 1_555 C6 H MYR 104 ? ? 1_556 1.49 
2 1 CG2 A THR 8 ? ? 1_555 C5 H MYR 104 ? ? 1_556 2.15 
# 
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 F CL  103 ? S  CL  . 
7  1 H ZN  102 ? V  ZN  . 
8  1 H CL  103 ? W  CL  . 
9  1 B HOH 208 ? Z  HOH . 
10 1 F HOH 208 ? DA HOH . 
11 1 F HOH 210 ? DA HOH . 
12 1 H HOH 204 ? FA HOH . 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1  'X-RAY DIFFRACTION' ? refined 13.7990 38.0774 34.2361  0.1594 ? 0.0277  ? 0.0081  ? 0.3195 ? 0.1580  ? 0.3334 ? 6.2406 ? 
-2.2584 ? -1.4429 ? 1.9999 ? -4.7868 ? 6.2196 ? -0.0454 ? -1.0401 ? -0.0849 ? 1.0972  ? -0.0224 ? -0.5457 ? -0.3124 ? 0.4521  ? 
0.2821  ? 
2  'X-RAY DIFFRACTION' ? refined 13.1504 45.4138 34.2208  0.0811 ? 0.0120  ? 0.0066  ? 0.1476 ? -0.0539 ? 0.1646 ? 7.8596 ? 0.1484 
? 1.9791  ? 6.4182 ? 5.6282  ? 5.9365 ? 0.6006  ? -0.1042 ? 0.0492  ? -0.1773 ? -0.3146 ? -0.2256 ? -0.0395 ? 0.2456  ? 0.0676  ? 
3  'X-RAY DIFFRACTION' ? refined 19.5130 41.6020 25.3811  0.1127 ? -0.0479 ? 0.0529  ? 0.2785 ? -0.0623 ? 0.2192 ? 2.0384 ? 
-0.6201 ? 0.8576  ? 4.0565 ? -0.0364 ? 3.4379 ? -0.0478 ? 0.5830  ? 0.3545  ? -0.2712 ? 0.1833  ? -0.6096 ? -0.4768 ? 0.6270  ? 
-0.1822 ? 
4  'X-RAY DIFFRACTION' ? refined 6.4825  40.9923 27.1310  0.0811 ? 0.0505  ? -0.0188 ? 0.1490 ? -0.0262 ? 0.1651 ? 3.7370 ? 1.4467 
? -1.6930 ? 2.6004 ? -0.5222 ? 1.7820 ? -0.0683 ? -0.0781 ? 0.3010  ? 0.2383  ? 0.0917  ? -0.2446 ? -0.0353 ? -0.1055 ? -0.1317 ? 
5  'X-RAY DIFFRACTION' ? refined 14.5332 35.2314 22.6005  0.0414 ? 0.1534  ? 0.2371  ? 0.2807 ? 0.0140  ? 0.0714 ? 5.4426 ? 
-0.5612 ? -0.4508 ? 1.2635 ? 1.3739  ? 1.4977 ? -0.1685 ? -0.7328 ? -0.3520 ? -0.3153 ? 0.0356  ? -0.5127 ? 0.4514  ? 0.5307  ? 
0.2263  ? 
6  'X-RAY DIFFRACTION' ? refined 5.5806  31.2854 7.7139   0.4746 ? -0.0941 ? 0.1177  ? 0.2878 ? -0.0424 ? 0.2868 ? 1.9226 ? 
-1.5196 ? -0.3095 ? 1.4413 ? 0.9867  ? 2.3399 ? -0.1807 ? 0.2953  ? -0.4784 ? -0.5546 ? -0.1774 ? -0.0108 ? -0.1907 ? 0.2675  ? 
0.2446  ? 
7  'X-RAY DIFFRACTION' ? refined -1.3041 32.4438 8.0512   0.4808 ? -0.0253 ? -0.0087 ? 0.1507 ? -0.0208 ? 0.1243 ? 1.0630 ? 0.2725 
? 0.3636  ? 0.2235 ? -0.4534 ? 2.0877 ? 0.2110  ? 0.0080  ? -0.0553 ? -0.2653 ? -0.1033 ? -0.0279 ? 0.3688  ? -0.4222 ? 0.9731  ? 
8  'X-RAY DIFFRACTION' ? refined 2.0209  25.8369 16.9310  0.2578 ? -0.0216 ? 0.0462  ? 0.1462 ? -0.0190 ? 0.1748 ? 8.0465 ? 2.4622 
? 2.4524  ? 3.5472 ? 0.6822  ? 2.7948 ? 0.4122  ? 0.2706  ? -0.4457 ? 0.2277  ? 0.1041  ? -0.4290 ? 0.1944  ? 0.1175  ? -0.0488 ? 
9  'X-RAY DIFFRACTION' ? refined 4.1679  38.6830 15.1279  0.0820 ? -0.0626 ? 0.0232  ? 0.1717 ? 0.0098  ? 0.1896 ? 2.5547 ? 0.3366 
? 0.4381  ? 4.7959 ? -2.7178 ? 4.6806 ? 0.1243  ? 0.2153  ? 0.1469  ? -0.0278 ? -0.3265 ? -0.1222 ? 0.0386  ? 0.8277  ? 0.0423  ? 
10 'X-RAY DIFFRACTION' ? refined 10.0722 31.2232 19.2427  0.2737 ? 0.1338  ? -0.0707 ? 0.4556 ? -0.0392 ? 0.1681 ? 4.6690 ? 1.1305 
? 0.3862  ? 8.0226 ? -1.6226 ? 3.8192 ? -0.0700 ? 0.7069  ? -0.5426 ? -1.0169 ? 0.3855  ? -0.4175 ? 0.3949  ? 0.0004  ? -0.1986 ? 
11 'X-RAY DIFFRACTION' ? refined 14.3928 39.7426 -5.6538  0.3224 ? 0.0580  ? -0.0208 ? 0.2895 ? -0.0046 ? 0.3259 ? 6.3364 ? 
-0.9780 ? 1.7895  ? 2.9752 ? -0.5450 ? 8.4974 ? 0.1587  ? -0.9642 ? -0.3577 ? 0.4204  ? -0.1327 ? -0.4492 ? -0.0218 ? 0.3137  ? 
-0.4869 ? 
12 'X-RAY DIFFRACTION' ? refined 13.3151 47.0997 -5.6761  0.2161 ? -0.0612 ? 0.0698  ? 0.4532 ? -0.4328 ? 0.2521 ? 0.4707 ? 
-0.3638 ? -0.5510 ? 0.2805 ? 0.4231  ? 0.6460 ? 0.2309  ? -0.1271 ? 0.3543  ? -0.4456 ? 0.5950  ? -0.6712 ? -0.5669 ? 1.1865  ? 
2.1856  ? 
13 'X-RAY DIFFRACTION' ? refined 19.9708 43.5926 -14.5228 0.1537 ? -0.0140 ? 0.0333  ? 0.2842 ? -0.0103 ? 0.2833 ? 1.6122 ? 1.3844 
? 0.9931  ? 4.0542 ? 1.2757  ? 4.1045 ? -0.3125 ? 0.2738  ? 0.2347  ? -0.6902 ? -0.0623 ? 0.1894  ? -0.5523 ? 0.4162  ? -0.1571 ? 
14 'X-RAY DIFFRACTION' ? refined 6.9350  41.7168 -12.7849 0.2329 ? 0.0375  ? 0.0143  ? 0.1422 ? -0.0060 ? 0.1982 ? 5.0559 ? 0.5132 
? -2.0493 ? 2.2438 ? -0.1303 ? 3.0084 ? -0.4490 ? -0.2299 ? -0.1965 ? 0.1420  ? 0.2327  ? 0.1393  ? 0.5703  ? 0.0664  ? -0.1600 ? 
15 'X-RAY DIFFRACTION' ? refined 15.4064 36.6184 -17.1525 0.1628 ? 0.0479  ? 0.0307  ? 0.3763 ? -0.0739 ? 0.0824 ? 5.0582 ? 0.1134 
? 0.3167  ? 2.3702 ? 1.8970  ? 1.8331 ? -0.1141 ? -0.3549 ? -0.0732 ? 0.2200  ? 0.2734  ? -0.0493 ? 0.6574  ? 0.3018  ? 0.1592  ? 
16 'X-RAY DIFFRACTION' ? refined 7.8337  32.1093 -32.0719 0.1460 ? -0.0562 ? 0.0220  ? 0.2529 ? 0.0206  ? 0.1704 ? 1.8522 ? 
-0.8565 ? 0.7578  ? 3.4546 ? -0.0515 ? 1.1739 ? -0.2002 ? -0.1230 ? 0.0388  ? -0.4792 ? -0.0495 ? 0.2982  ? -0.1396 ? 0.0934  ? 
0.0044  ? 
17 'X-RAY DIFFRACTION' ? refined 0.8552  32.5338 -32.0693 0.2250 ? 0.0436  ? -0.0537 ? 0.0725 ? 0.0218  ? 0.1592 ? 3.8404 ? 1.0071 
? 0.2184  ? 3.0573 ? 0.6981  ? 1.1943 ? -0.1544 ? -0.2576 ? 0.0346  ? 0.4712  ? 0.4782  ? -0.1142 ? 0.4612  ? 0.1655  ? 0.3376  ? 
18 'X-RAY DIFFRACTION' ? refined 4.2522  26.3600 -22.8353 0.1722 ? 0.0236  ? 0.0269  ? 0.1339 ? -0.0097 ? 0.3035 ? 5.0316 ? 
-0.3118 ? 0.2074  ? 0.4726 ? 0.6525  ? 4.0614 ? -0.1519 ? 0.2930  ? -0.2168 ? -0.0056 ? -0.1724 ? -0.3899 ? -0.2861 ? -0.3381 ? 
-0.2753 ? 
19 'X-RAY DIFFRACTION' ? refined 4.9213  39.3024 -24.7247 0.1469 ? -0.0228 ? -0.0093 ? 0.1315 ? -0.0210 ? 0.1684 ? 0.9752 ? 
-0.2239 ? 0.6859  ? 2.3631 ? -1.9284 ? 2.0094 ? -0.0607 ? 0.0040  ? 0.2111  ? -0.0763 ? -0.2396 ? -0.2788 ? -0.1011 ? 0.1829  ? 
-0.0101 ? 
20 'X-RAY DIFFRACTION' ? refined 11.4525 32.2288 -20.3563 0.2158 ? 0.0100  ? -0.0824 ? 0.2555 ? -0.0256 ? 0.2726 ? 6.1592 ? 0.8182 
? -0.4950 ? 6.7925 ? -1.9623 ? 6.5711 ? -0.1618 ? 0.3431  ? -0.1126 ? -0.5033 ? -0.5366 ? -0.2716 ? 0.1238  ? -0.3124 ? -0.0462 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1  'X-RAY DIFFRACTION' 1  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 1 through 6 )
;
2  'X-RAY DIFFRACTION' 2  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 7 through 12 )
;
3  'X-RAY DIFFRACTION' 3  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 13 through 21 )
;
4  'X-RAY DIFFRACTION' 4  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 1 through 19 )
;
5  'X-RAY DIFFRACTION' 5  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 20 through 29 )
;
6  'X-RAY DIFFRACTION' 6  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 1 through 6 )
;
7  'X-RAY DIFFRACTION' 7  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 7 through 12 )
;
8  'X-RAY DIFFRACTION' 8  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'C' and (resid 13 through 21 )
;
9  'X-RAY DIFFRACTION' 9  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'D' and (resid 1 through 19 )
;
10 'X-RAY DIFFRACTION' 10 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'D' and (resid 20 through 29 )
;
11 'X-RAY DIFFRACTION' 11 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'E' and (resid 1 through 6 )
;
12 'X-RAY DIFFRACTION' 12 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'E' and (resid 7 through 12 )
;
13 'X-RAY DIFFRACTION' 13 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'E' and (resid 13 through 21 )
;
14 'X-RAY DIFFRACTION' 14 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'F' and (resid 1 through 19 )
;
15 'X-RAY DIFFRACTION' 15 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'F' and (resid 20 through 29 )
;
16 'X-RAY DIFFRACTION' 16 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'G' and (resid 1 through 6 )
;
17 'X-RAY DIFFRACTION' 17 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'G' and (resid 7 through 12 )
;
18 'X-RAY DIFFRACTION' 18 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'G' and (resid 13 through 21 )
;
19 'X-RAY DIFFRACTION' 19 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'H' and (resid 1 through 19 )
;
20 'X-RAY DIFFRACTION' 20 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'H' and (resid 20 through 29 )
;
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
CL  CL   CL N N 58  
CYS N    N  N N 59  
CYS CA   C  N R 60  
CYS C    C  N N 61  
CYS O    O  N N 62  
CYS CB   C  N N 63  
CYS SG   S  N N 64  
CYS OXT  O  N N 65  
CYS H    H  N N 66  
CYS H2   H  N N 67  
CYS HA   H  N N 68  
CYS HB2  H  N N 69  
CYS HB3  H  N N 70  
CYS HG   H  N N 71  
CYS HXT  H  N N 72  
GLN N    N  N N 73  
GLN CA   C  N S 74  
GLN C    C  N N 75  
GLN O    O  N N 76  
GLN CB   C  N N 77  
GLN CG   C  N N 78  
GLN CD   C  N N 79  
GLN OE1  O  N N 80  
GLN NE2  N  N N 81  
GLN OXT  O  N N 82  
GLN H    H  N N 83  
GLN H2   H  N N 84  
GLN HA   H  N N 85  
GLN HB2  H  N N 86  
GLN HB3  H  N N 87  
GLN HG2  H  N N 88  
GLN HG3  H  N N 89  
GLN HE21 H  N N 90  
GLN HE22 H  N N 91  
GLN HXT  H  N N 92  
GLU N    N  N N 93  
GLU CA   C  N S 94  
GLU C    C  N N 95  
GLU O    O  N N 96  
GLU CB   C  N N 97  
GLU CG   C  N N 98  
GLU CD   C  N N 99  
GLU OE1  O  N N 100 
GLU OE2  O  N N 101 
GLU OXT  O  N N 102 
GLU H    H  N N 103 
GLU H2   H  N N 104 
GLU HA   H  N N 105 
GLU HB2  H  N N 106 
GLU HB3  H  N N 107 
GLU HG2  H  N N 108 
GLU HG3  H  N N 109 
GLU HE2  H  N N 110 
GLU HXT  H  N N 111 
GLY N    N  N N 112 
GLY CA   C  N N 113 
GLY C    C  N N 114 
GLY O    O  N N 115 
GLY OXT  O  N N 116 
GLY H    H  N N 117 
GLY H2   H  N N 118 
GLY HA2  H  N N 119 
GLY HA3  H  N N 120 
GLY HXT  H  N N 121 
HIS N    N  N N 122 
HIS CA   C  N S 123 
HIS C    C  N N 124 
HIS O    O  N N 125 
HIS CB   C  N N 126 
HIS CG   C  Y N 127 
HIS ND1  N  Y N 128 
HIS CD2  C  Y N 129 
HIS CE1  C  Y N 130 
HIS NE2  N  Y N 131 
HIS OXT  O  N N 132 
HIS H    H  N N 133 
HIS H2   H  N N 134 
HIS HA   H  N N 135 
HIS HB2  H  N N 136 
HIS HB3  H  N N 137 
HIS HD1  H  N N 138 
HIS HD2  H  N N 139 
HIS HE1  H  N N 140 
HIS HE2  H  N N 141 
HIS HXT  H  N N 142 
HOH O    O  N N 143 
HOH H1   H  N N 144 
HOH H2   H  N N 145 
ILE N    N  N N 146 
ILE CA   C  N S 147 
ILE C    C  N N 148 
ILE O    O  N N 149 
ILE CB   C  N S 150 
ILE CG1  C  N N 151 
ILE CG2  C  N N 152 
ILE CD1  C  N N 153 
ILE OXT  O  N N 154 
ILE H    H  N N 155 
ILE H2   H  N N 156 
ILE HA   H  N N 157 
ILE HB   H  N N 158 
ILE HG12 H  N N 159 
ILE HG13 H  N N 160 
ILE HG21 H  N N 161 
ILE HG22 H  N N 162 
ILE HG23 H  N N 163 
ILE HD11 H  N N 164 
ILE HD12 H  N N 165 
ILE HD13 H  N N 166 
ILE HXT  H  N N 167 
IPH C1   C  Y N 168 
IPH C2   C  Y N 169 
IPH C3   C  Y N 170 
IPH C4   C  Y N 171 
IPH C5   C  Y N 172 
IPH C6   C  Y N 173 
IPH O1   O  N N 174 
IPH H2   H  N N 175 
IPH H3   H  N N 176 
IPH H4   H  N N 177 
IPH H5   H  N N 178 
IPH H6   H  N N 179 
IPH HO1  H  N N 180 
LEU N    N  N N 181 
LEU CA   C  N S 182 
LEU C    C  N N 183 
LEU O    O  N N 184 
LEU CB   C  N N 185 
LEU CG   C  N N 186 
LEU CD1  C  N N 187 
LEU CD2  C  N N 188 
LEU OXT  O  N N 189 
LEU H    H  N N 190 
LEU H2   H  N N 191 
LEU HA   H  N N 192 
LEU HB2  H  N N 193 
LEU HB3  H  N N 194 
LEU HG   H  N N 195 
LEU HD11 H  N N 196 
LEU HD12 H  N N 197 
LEU HD13 H  N N 198 
LEU HD21 H  N N 199 
LEU HD22 H  N N 200 
LEU HD23 H  N N 201 
LEU HXT  H  N N 202 
LYS N    N  N N 203 
LYS CA   C  N S 204 
LYS C    C  N N 205 
LYS O    O  N N 206 
LYS CB   C  N N 207 
LYS CG   C  N N 208 
LYS CD   C  N N 209 
LYS CE   C  N N 210 
LYS NZ   N  N N 211 
LYS OXT  O  N N 212 
LYS H    H  N N 213 
LYS H2   H  N N 214 
LYS HA   H  N N 215 
LYS HB2  H  N N 216 
LYS HB3  H  N N 217 
LYS HG2  H  N N 218 
LYS HG3  H  N N 219 
LYS HD2  H  N N 220 
LYS HD3  H  N N 221 
LYS HE2  H  N N 222 
LYS HE3  H  N N 223 
LYS HZ1  H  N N 224 
LYS HZ2  H  N N 225 
LYS HZ3  H  N N 226 
LYS HXT  H  N N 227 
MYR C1   C  N N 228 
MYR O1   O  N N 229 
MYR O2   O  N N 230 
MYR C2   C  N N 231 
MYR C3   C  N N 232 
MYR C4   C  N N 233 
MYR C5   C  N N 234 
MYR C6   C  N N 235 
MYR C7   C  N N 236 
MYR C8   C  N N 237 
MYR C9   C  N N 238 
MYR C10  C  N N 239 
MYR C11  C  N N 240 
MYR C12  C  N N 241 
MYR C13  C  N N 242 
MYR C14  C  N N 243 
MYR HO2  H  N N 244 
MYR H21  H  N N 245 
MYR H22  H  N N 246 
MYR H31  H  N N 247 
MYR H32  H  N N 248 
MYR H41  H  N N 249 
MYR H42  H  N N 250 
MYR H51  H  N N 251 
MYR H52  H  N N 252 
MYR H61  H  N N 253 
MYR H62  H  N N 254 
MYR H71  H  N N 255 
MYR H72  H  N N 256 
MYR H81  H  N N 257 
MYR H82  H  N N 258 
MYR H91  H  N N 259 
MYR H92  H  N N 260 
MYR H101 H  N N 261 
MYR H102 H  N N 262 
MYR H111 H  N N 263 
MYR H112 H  N N 264 
MYR H121 H  N N 265 
MYR H122 H  N N 266 
MYR H131 H  N N 267 
MYR H132 H  N N 268 
MYR H141 H  N N 269 
MYR H142 H  N N 270 
MYR H143 H  N N 271 
PHE N    N  N N 272 
PHE CA   C  N S 273 
PHE C    C  N N 274 
PHE O    O  N N 275 
PHE CB   C  N N 276 
PHE CG   C  Y N 277 
PHE CD1  C  Y N 278 
PHE CD2  C  Y N 279 
PHE CE1  C  Y N 280 
PHE CE2  C  Y N 281 
PHE CZ   C  Y N 282 
PHE OXT  O  N N 283 
PHE H    H  N N 284 
PHE H2   H  N N 285 
PHE HA   H  N N 286 
PHE HB2  H  N N 287 
PHE HB3  H  N N 288 
PHE HD1  H  N N 289 
PHE HD2  H  N N 290 
PHE HE1  H  N N 291 
PHE HE2  H  N N 292 
PHE HZ   H  N N 293 
PHE HXT  H  N N 294 
PRO N    N  N N 295 
PRO CA   C  N S 296 
PRO C    C  N N 297 
PRO O    O  N N 298 
PRO CB   C  N N 299 
PRO CG   C  N N 300 
PRO CD   C  N N 301 
PRO OXT  O  N N 302 
PRO H    H  N N 303 
PRO HA   H  N N 304 
PRO HB2  H  N N 305 
PRO HB3  H  N N 306 
PRO HG2  H  N N 307 
PRO HG3  H  N N 308 
PRO HD2  H  N N 309 
PRO HD3  H  N N 310 
PRO HXT  H  N N 311 
SER N    N  N N 312 
SER CA   C  N S 313 
SER C    C  N N 314 
SER O    O  N N 315 
SER CB   C  N N 316 
SER OG   O  N N 317 
SER OXT  O  N N 318 
SER H    H  N N 319 
SER H2   H  N N 320 
SER HA   H  N N 321 
SER HB2  H  N N 322 
SER HB3  H  N N 323 
SER HG   H  N N 324 
SER HXT  H  N N 325 
THR N    N  N N 326 
THR CA   C  N S 327 
THR C    C  N N 328 
THR O    O  N N 329 
THR CB   C  N R 330 
THR OG1  O  N N 331 
THR CG2  C  N N 332 
THR OXT  O  N N 333 
THR H    H  N N 334 
THR H2   H  N N 335 
THR HA   H  N N 336 
THR HB   H  N N 337 
THR HG1  H  N N 338 
THR HG21 H  N N 339 
THR HG22 H  N N 340 
THR HG23 H  N N 341 
THR HXT  H  N N 342 
TYR N    N  N N 343 
TYR CA   C  N S 344 
TYR C    C  N N 345 
TYR O    O  N N 346 
TYR CB   C  N N 347 
TYR CG   C  Y N 348 
TYR CD1  C  Y N 349 
TYR CD2  C  Y N 350 
TYR CE1  C  Y N 351 
TYR CE2  C  Y N 352 
TYR CZ   C  Y N 353 
TYR OH   O  N N 354 
TYR OXT  O  N N 355 
TYR H    H  N N 356 
TYR H2   H  N N 357 
TYR HA   H  N N 358 
TYR HB2  H  N N 359 
TYR HB3  H  N N 360 
TYR HD1  H  N N 361 
TYR HD2  H  N N 362 
TYR HE1  H  N N 363 
TYR HE2  H  N N 364 
TYR HH   H  N N 365 
TYR HXT  H  N N 366 
VAL N    N  N N 367 
VAL CA   C  N S 368 
VAL C    C  N N 369 
VAL O    O  N N 370 
VAL CB   C  N N 371 
VAL CG1  C  N N 372 
VAL CG2  C  N N 373 
VAL OXT  O  N N 374 
VAL H    H  N N 375 
VAL H2   H  N N 376 
VAL HA   H  N N 377 
VAL HB   H  N N 378 
VAL HG11 H  N N 379 
VAL HG12 H  N N 380 
VAL HG13 H  N N 381 
VAL HG21 H  N N 382 
VAL HG22 H  N N 383 
VAL HG23 H  N N 384 
VAL HXT  H  N N 385 
ZN  ZN   ZN N N 386 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
CYS N   CA   sing N N 55  
CYS N   H    sing N N 56  
CYS N   H2   sing N N 57  
CYS CA  C    sing N N 58  
CYS CA  CB   sing N N 59  
CYS CA  HA   sing N N 60  
CYS C   O    doub N N 61  
CYS C   OXT  sing N N 62  
CYS CB  SG   sing N N 63  
CYS CB  HB2  sing N N 64  
CYS CB  HB3  sing N N 65  
CYS SG  HG   sing N N 66  
CYS OXT HXT  sing N N 67  
GLN N   CA   sing N N 68  
GLN N   H    sing N N 69  
GLN N   H2   sing N N 70  
GLN CA  C    sing N N 71  
GLN CA  CB   sing N N 72  
GLN CA  HA   sing N N 73  
GLN C   O    doub N N 74  
GLN C   OXT  sing N N 75  
GLN CB  CG   sing N N 76  
GLN CB  HB2  sing N N 77  
GLN CB  HB3  sing N N 78  
GLN CG  CD   sing N N 79  
GLN CG  HG2  sing N N 80  
GLN CG  HG3  sing N N 81  
GLN CD  OE1  doub N N 82  
GLN CD  NE2  sing N N 83  
GLN NE2 HE21 sing N N 84  
GLN NE2 HE22 sing N N 85  
GLN OXT HXT  sing N N 86  
GLU N   CA   sing N N 87  
GLU N   H    sing N N 88  
GLU N   H2   sing N N 89  
GLU CA  C    sing N N 90  
GLU CA  CB   sing N N 91  
GLU CA  HA   sing N N 92  
GLU C   O    doub N N 93  
GLU C   OXT  sing N N 94  
GLU CB  CG   sing N N 95  
GLU CB  HB2  sing N N 96  
GLU CB  HB3  sing N N 97  
GLU CG  CD   sing N N 98  
GLU CG  HG2  sing N N 99  
GLU CG  HG3  sing N N 100 
GLU CD  OE1  doub N N 101 
GLU CD  OE2  sing N N 102 
GLU OE2 HE2  sing N N 103 
GLU OXT HXT  sing N N 104 
GLY N   CA   sing N N 105 
GLY N   H    sing N N 106 
GLY N   H2   sing N N 107 
GLY CA  C    sing N N 108 
GLY CA  HA2  sing N N 109 
GLY CA  HA3  sing N N 110 
GLY C   O    doub N N 111 
GLY C   OXT  sing N N 112 
GLY OXT HXT  sing N N 113 
HIS N   CA   sing N N 114 
HIS N   H    sing N N 115 
HIS N   H2   sing N N 116 
HIS CA  C    sing N N 117 
HIS CA  CB   sing N N 118 
HIS CA  HA   sing N N 119 
HIS C   O    doub N N 120 
HIS C   OXT  sing N N 121 
HIS CB  CG   sing N N 122 
HIS CB  HB2  sing N N 123 
HIS CB  HB3  sing N N 124 
HIS CG  ND1  sing Y N 125 
HIS CG  CD2  doub Y N 126 
HIS ND1 CE1  doub Y N 127 
HIS ND1 HD1  sing N N 128 
HIS CD2 NE2  sing Y N 129 
HIS CD2 HD2  sing N N 130 
HIS CE1 NE2  sing Y N 131 
HIS CE1 HE1  sing N N 132 
HIS NE2 HE2  sing N N 133 
HIS OXT HXT  sing N N 134 
HOH O   H1   sing N N 135 
HOH O   H2   sing N N 136 
ILE N   CA   sing N N 137 
ILE N   H    sing N N 138 
ILE N   H2   sing N N 139 
ILE CA  C    sing N N 140 
ILE CA  CB   sing N N 141 
ILE CA  HA   sing N N 142 
ILE C   O    doub N N 143 
ILE C   OXT  sing N N 144 
ILE CB  CG1  sing N N 145 
ILE CB  CG2  sing N N 146 
ILE CB  HB   sing N N 147 
ILE CG1 CD1  sing N N 148 
ILE CG1 HG12 sing N N 149 
ILE CG1 HG13 sing N N 150 
ILE CG2 HG21 sing N N 151 
ILE CG2 HG22 sing N N 152 
ILE CG2 HG23 sing N N 153 
ILE CD1 HD11 sing N N 154 
ILE CD1 HD12 sing N N 155 
ILE CD1 HD13 sing N N 156 
ILE OXT HXT  sing N N 157 
IPH C1  C2   doub Y N 158 
IPH C1  C6   sing Y N 159 
IPH C1  O1   sing N N 160 
IPH C2  C3   sing Y N 161 
IPH C2  H2   sing N N 162 
IPH C3  C4   doub Y N 163 
IPH C3  H3   sing N N 164 
IPH C4  C5   sing Y N 165 
IPH C4  H4   sing N N 166 
IPH C5  C6   doub Y N 167 
IPH C5  H5   sing N N 168 
IPH C6  H6   sing N N 169 
IPH O1  HO1  sing N N 170 
LEU N   CA   sing N N 171 
LEU N   H    sing N N 172 
LEU N   H2   sing N N 173 
LEU CA  C    sing N N 174 
LEU CA  CB   sing N N 175 
LEU CA  HA   sing N N 176 
LEU C   O    doub N N 177 
LEU C   OXT  sing N N 178 
LEU CB  CG   sing N N 179 
LEU CB  HB2  sing N N 180 
LEU CB  HB3  sing N N 181 
LEU CG  CD1  sing N N 182 
LEU CG  CD2  sing N N 183 
LEU CG  HG   sing N N 184 
LEU CD1 HD11 sing N N 185 
LEU CD1 HD12 sing N N 186 
LEU CD1 HD13 sing N N 187 
LEU CD2 HD21 sing N N 188 
LEU CD2 HD22 sing N N 189 
LEU CD2 HD23 sing N N 190 
LEU OXT HXT  sing N N 191 
LYS N   CA   sing N N 192 
LYS N   H    sing N N 193 
LYS N   H2   sing N N 194 
LYS CA  C    sing N N 195 
LYS CA  CB   sing N N 196 
LYS CA  HA   sing N N 197 
LYS C   O    doub N N 198 
LYS C   OXT  sing N N 199 
LYS CB  CG   sing N N 200 
LYS CB  HB2  sing N N 201 
LYS CB  HB3  sing N N 202 
LYS CG  CD   sing N N 203 
LYS CG  HG2  sing N N 204 
LYS CG  HG3  sing N N 205 
LYS CD  CE   sing N N 206 
LYS CD  HD2  sing N N 207 
LYS CD  HD3  sing N N 208 
LYS CE  NZ   sing N N 209 
LYS CE  HE2  sing N N 210 
LYS CE  HE3  sing N N 211 
LYS NZ  HZ1  sing N N 212 
LYS NZ  HZ2  sing N N 213 
LYS NZ  HZ3  sing N N 214 
LYS OXT HXT  sing N N 215 
MYR C1  O1   doub N N 216 
MYR C1  O2   sing N N 217 
MYR C1  C2   sing N N 218 
MYR O2  HO2  sing N N 219 
MYR C2  C3   sing N N 220 
MYR C2  H21  sing N N 221 
MYR C2  H22  sing N N 222 
MYR C3  C4   sing N N 223 
MYR C3  H31  sing N N 224 
MYR C3  H32  sing N N 225 
MYR C4  C5   sing N N 226 
MYR C4  H41  sing N N 227 
MYR C4  H42  sing N N 228 
MYR C5  C6   sing N N 229 
MYR C5  H51  sing N N 230 
MYR C5  H52  sing N N 231 
MYR C6  C7   sing N N 232 
MYR C6  H61  sing N N 233 
MYR C6  H62  sing N N 234 
MYR C7  C8   sing N N 235 
MYR C7  H71  sing N N 236 
MYR C7  H72  sing N N 237 
MYR C8  C9   sing N N 238 
MYR C8  H81  sing N N 239 
MYR C8  H82  sing N N 240 
MYR C9  C10  sing N N 241 
MYR C9  H91  sing N N 242 
MYR C9  H92  sing N N 243 
MYR C10 C11  sing N N 244 
MYR C10 H101 sing N N 245 
MYR C10 H102 sing N N 246 
MYR C11 C12  sing N N 247 
MYR C11 H111 sing N N 248 
MYR C11 H112 sing N N 249 
MYR C12 C13  sing N N 250 
MYR C12 H121 sing N N 251 
MYR C12 H122 sing N N 252 
MYR C13 C14  sing N N 253 
MYR C13 H131 sing N N 254 
MYR C13 H132 sing N N 255 
MYR C14 H141 sing N N 256 
MYR C14 H142 sing N N 257 
MYR C14 H143 sing N N 258 
PHE N   CA   sing N N 259 
PHE N   H    sing N N 260 
PHE N   H2   sing N N 261 
PHE CA  C    sing N N 262 
PHE CA  CB   sing N N 263 
PHE CA  HA   sing N N 264 
PHE C   O    doub N N 265 
PHE C   OXT  sing N N 266 
PHE CB  CG   sing N N 267 
PHE CB  HB2  sing N N 268 
PHE CB  HB3  sing N N 269 
PHE CG  CD1  doub Y N 270 
PHE CG  CD2  sing Y N 271 
PHE CD1 CE1  sing Y N 272 
PHE CD1 HD1  sing N N 273 
PHE CD2 CE2  doub Y N 274 
PHE CD2 HD2  sing N N 275 
PHE CE1 CZ   doub Y N 276 
PHE CE1 HE1  sing N N 277 
PHE CE2 CZ   sing Y N 278 
PHE CE2 HE2  sing N N 279 
PHE CZ  HZ   sing N N 280 
PHE OXT HXT  sing N N 281 
PRO N   CA   sing N N 282 
PRO N   CD   sing N N 283 
PRO N   H    sing N N 284 
PRO CA  C    sing N N 285 
PRO CA  CB   sing N N 286 
PRO CA  HA   sing N N 287 
PRO C   O    doub N N 288 
PRO C   OXT  sing N N 289 
PRO CB  CG   sing N N 290 
PRO CB  HB2  sing N N 291 
PRO CB  HB3  sing N N 292 
PRO CG  CD   sing N N 293 
PRO CG  HG2  sing N N 294 
PRO CG  HG3  sing N N 295 
PRO CD  HD2  sing N N 296 
PRO CD  HD3  sing N N 297 
PRO OXT HXT  sing N N 298 
SER N   CA   sing N N 299 
SER N   H    sing N N 300 
SER N   H2   sing N N 301 
SER CA  C    sing N N 302 
SER CA  CB   sing N N 303 
SER CA  HA   sing N N 304 
SER C   O    doub N N 305 
SER C   OXT  sing N N 306 
SER CB  OG   sing N N 307 
SER CB  HB2  sing N N 308 
SER CB  HB3  sing N N 309 
SER OG  HG   sing N N 310 
SER OXT HXT  sing N N 311 
THR N   CA   sing N N 312 
THR N   H    sing N N 313 
THR N   H2   sing N N 314 
THR CA  C    sing N N 315 
THR CA  CB   sing N N 316 
THR CA  HA   sing N N 317 
THR C   O    doub N N 318 
THR C   OXT  sing N N 319 
THR CB  OG1  sing N N 320 
THR CB  CG2  sing N N 321 
THR CB  HB   sing N N 322 
THR OG1 HG1  sing N N 323 
THR CG2 HG21 sing N N 324 
THR CG2 HG22 sing N N 325 
THR CG2 HG23 sing N N 326 
THR OXT HXT  sing N N 327 
TYR N   CA   sing N N 328 
TYR N   H    sing N N 329 
TYR N   H2   sing N N 330 
TYR CA  C    sing N N 331 
TYR CA  CB   sing N N 332 
TYR CA  HA   sing N N 333 
TYR C   O    doub N N 334 
TYR C   OXT  sing N N 335 
TYR CB  CG   sing N N 336 
TYR CB  HB2  sing N N 337 
TYR CB  HB3  sing N N 338 
TYR CG  CD1  doub Y N 339 
TYR CG  CD2  sing Y N 340 
TYR CD1 CE1  sing Y N 341 
TYR CD1 HD1  sing N N 342 
TYR CD2 CE2  doub Y N 343 
TYR CD2 HD2  sing N N 344 
TYR CE1 CZ   doub Y N 345 
TYR CE1 HE1  sing N N 346 
TYR CE2 CZ   sing Y N 347 
TYR CE2 HE2  sing N N 348 
TYR CZ  OH   sing N N 349 
TYR OH  HH   sing N N 350 
TYR OXT HXT  sing N N 351 
VAL N   CA   sing N N 352 
VAL N   H    sing N N 353 
VAL N   H2   sing N N 354 
VAL CA  C    sing N N 355 
VAL CA  CB   sing N N 356 
VAL CA  HA   sing N N 357 
VAL C   O    doub N N 358 
VAL C   OXT  sing N N 359 
VAL CB  CG1  sing N N 360 
VAL CB  CG2  sing N N 361 
VAL CB  HB   sing N N 362 
VAL CG1 HG11 sing N N 363 
VAL CG1 HG12 sing N N 364 
VAL CG1 HG13 sing N N 365 
VAL CG2 HG21 sing N N 366 
VAL CG2 HG22 sing N N 367 
VAL CG2 HG23 sing N N 368 
VAL OXT HXT  sing N N 369 
# 
_pdbx_audit_support.funding_organization   'Other government' 
_pdbx_audit_support.country                ? 
_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                    9LVC 
_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]   0.012648 
_atom_sites.fract_transf_matrix[1][2]   0.007302 
_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]   0.014605 
_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]   0.012579 
_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  ? 16.380 34.021 34.709  1.00 28.24 ?  1   GLY A N   1 
ATOM   2    C  CA  . GLY A  1 1  ? 15.512 34.134 33.552  1.00 22.50 ?  1   GLY A CA  1 
ATOM   3    C  C   . GLY A  1 1  ? 15.097 35.561 33.253  1.00 20.96 ?  1   GLY A C   1 
ATOM   4    O  O   . GLY A  1 1  ? 15.286 36.457 34.076  1.00 22.43 ?  1   GLY A O   1 
ATOM   5    N  N   . ILE A  1 2  ? 14.526 35.771 32.065  1.00 18.47 ?  2   ILE A N   1 
ATOM   6    C  CA  . ILE A  1 2  ? 14.129 37.116 31.660  1.00 17.12 ?  2   ILE A CA  1 
ATOM   7    C  C   . ILE A  1 2  ? 12.984 37.630 32.524  1.00 17.54 ?  2   ILE A C   1 
ATOM   8    O  O   . ILE A  1 2  ? 12.880 38.838 32.771  1.00 18.00 ?  2   ILE A O   1 
ATOM   9    C  CB  . ILE A  1 2  ? 13.773 37.137 30.160  1.00 15.48 ?  2   ILE A CB  1 
ATOM   10   C  CG1 . ILE A  1 2  ? 13.567 38.572 29.672  1.00 14.17 ?  2   ILE A CG1 1 
ATOM   11   C  CG2 . ILE A  1 2  ? 12.537 36.291 29.877  1.00 13.82 ?  2   ILE A CG2 1 
ATOM   12   C  CD1 . ILE A  1 2  ? 13.338 38.676 28.182  1.00 13.28 ?  2   ILE A CD1 1 
ATOM   13   N  N   . VAL A  1 3  ? 12.112 36.737 32.999  1.00 17.85 ?  3   VAL A N   1 
ATOM   14   C  CA  . VAL A  1 3  ? 10.986 37.166 33.822  1.00 18.56 ?  3   VAL A CA  1 
ATOM   15   C  C   . VAL A  1 3  ? 11.467 37.667 35.181  1.00 21.40 ?  3   VAL A C   1 
ATOM   16   O  O   . VAL A  1 3  ? 11.003 38.702 35.674  1.00 25.73 ?  3   VAL A O   1 
ATOM   17   C  CB  . VAL A  1 3  ? 9.959  36.026 33.959  1.00 19.05 ?  3   VAL A CB  1 
ATOM   18   C  CG1 . VAL A  1 3  ? 10.643 34.721 34.344  1.00 29.82 ?  3   VAL A CG1 1 
ATOM   19   C  CG2 . VAL A  1 3  ? 8.880  36.393 34.970  1.00 23.18 ?  3   VAL A CG2 1 
ATOM   20   N  N   . GLU A  1 4  ? 12.412 36.956 35.802  1.00 23.24 ?  4   GLU A N   1 
ATOM   21   C  CA  . GLU A  1 4  ? 12.884 37.350 37.125  1.00 26.52 ?  4   GLU A CA  1 
ATOM   22   C  C   . GLU A  1 4  ? 13.776 38.584 37.088  1.00 27.74 ?  4   GLU A C   1 
ATOM   23   O  O   . GLU A  1 4  ? 14.013 39.190 38.138  1.00 45.41 ?  4   GLU A O   1 
ATOM   24   C  CB  . GLU A  1 4  ? 13.642 36.198 37.789  1.00 28.49 ?  4   GLU A CB  1 
ATOM   25   C  CG  . GLU A  1 4  ? 12.790 34.980 38.112  1.00 35.65 ?  4   GLU A CG  1 
ATOM   26   C  CD  . GLU A  1 4  ? 12.836 33.930 37.021  1.00 26.59 ?  4   GLU A CD  1 
ATOM   27   O  OE1 . GLU A  1 4  ? 13.421 34.205 35.953  1.00 24.83 ?  4   GLU A OE1 1 
ATOM   28   O  OE2 . GLU A  1 4  ? 12.293 32.826 37.234  1.00 39.27 -1 4   GLU A OE2 1 
ATOM   29   N  N   . GLN A  1 5  ? 14.277 38.968 35.916  1.00 25.73 ?  5   GLN A N   1 
ATOM   30   C  CA  . GLN A  1 5  ? 15.204 40.086 35.811  1.00 27.27 ?  5   GLN A CA  1 
ATOM   31   C  C   . GLN A  1 5  ? 14.615 41.319 35.148  1.00 26.09 ?  5   GLN A C   1 
ATOM   32   O  O   . GLN A  1 5  ? 15.051 42.430 35.454  1.00 28.56 ?  5   GLN A O   1 
ATOM   33   C  CB  . GLN A  1 5  ? 16.460 39.666 35.037  1.00 26.91 ?  5   GLN A CB  1 
ATOM   34   C  CG  . GLN A  1 5  ? 17.277 38.586 35.727  1.00 39.25 ?  5   GLN A CG  1 
ATOM   35   C  CD  . GLN A  1 5  ? 18.564 38.282 34.992  1.00 50.59 ?  5   GLN A CD  1 
ATOM   36   O  OE1 . GLN A  1 5  ? 18.882 38.919 33.987  1.00 49.49 ?  5   GLN A OE1 1 
ATOM   37   N  NE2 . GLN A  1 5  ? 19.314 37.305 35.488  1.00 50.57 ?  5   GLN A NE2 1 
ATOM   38   N  N   . CYS A  1 6  ? 13.640 41.158 34.254  1.00 22.85 ?  6   CYS A N   1 
ATOM   39   C  CA  . CYS A  1 6  ? 13.103 42.278 33.496  1.00 21.67 ?  6   CYS A CA  1 
ATOM   40   C  C   . CYS A  1 6  ? 11.660 42.617 33.835  1.00 22.70 ?  6   CYS A C   1 
ATOM   41   O  O   . CYS A  1 6  ? 11.174 43.670 33.408  1.00 22.56 ?  6   CYS A O   1 
ATOM   42   C  CB  . CYS A  1 6  ? 13.224 42.000 31.992  1.00 18.43 ?  6   CYS A CB  1 
ATOM   43   S  SG  . CYS A  1 6  ? 14.938 41.906 31.446  1.00 19.08 ?  6   CYS A SG  1 
ATOM   44   N  N   . CYS A  1 7  ? 10.962 41.764 34.582  1.00 17.95 ?  7   CYS A N   1 
ATOM   45   C  CA  . CYS A  1 7  ? 9.615  42.084 35.029  1.00 16.88 ?  7   CYS A CA  1 
ATOM   46   C  C   . CYS A  1 7  ? 9.571  42.604 36.458  1.00 26.58 ?  7   CYS A C   1 
ATOM   47   O  O   . CYS A  1 7  ? 8.569  43.212 36.848  1.00 23.46 ?  7   CYS A O   1 
ATOM   48   C  CB  . CYS A  1 7  ? 8.707  40.856 34.896  1.00 20.83 ?  7   CYS A CB  1 
ATOM   49   S  SG  . CYS A  1 7  ? 8.183  40.527 33.205  1.00 13.75 ?  7   CYS A SG  1 
ATOM   50   N  N   . THR A  1 8  ? 10.628 42.391 37.239  1.00 25.82 ?  8   THR A N   1 
ATOM   51   C  CA  . THR A  1 8  ? 10.719 42.960 38.576  1.00 27.72 ?  8   THR A CA  1 
ATOM   52   C  C   . THR A  1 8  ? 11.357 44.340 38.572  1.00 20.85 ?  8   THR A C   1 
ATOM   53   O  O   . THR A  1 8  ? 11.038 45.168 39.433  1.00 25.51 ?  8   THR A O   1 
ATOM   54   C  CB  . THR A  1 8  ? 11.516 42.028 39.489  1.00 38.65 ?  8   THR A CB  1 
ATOM   55   O  OG1 . THR A  1 8  ? 12.916 42.294 39.341  1.00 29.93 ?  8   THR A OG1 1 
ATOM   56   C  CG2 . THR A  1 8  ? 11.249 40.586 39.106  1.00 47.57 ?  8   THR A CG2 1 
ATOM   57   N  N   . SER A  1 9  ? 12.256 44.596 37.624  1.00 21.87 ?  9   SER A N   1 
ATOM   58   C  CA  . SER A  1 9  ? 12.825 45.915 37.402  1.00 20.09 ?  9   SER A CA  1 
ATOM   59   C  C   . SER A  1 9  ? 12.880 46.164 35.903  1.00 16.99 ?  9   SER A C   1 
ATOM   60   O  O   . SER A  1 9  ? 12.927 45.223 35.106  1.00 13.79 ?  9   SER A O   1 
ATOM   61   C  CB  . SER A  1 9  ? 14.224 46.047 38.022  1.00 15.77 ?  9   SER A CB  1 
ATOM   62   O  OG  . SER A  1 9  ? 15.110 45.075 37.495  1.00 43.57 ?  9   SER A OG  1 
ATOM   63   N  N   . ILE A  1 10 ? 12.862 47.441 35.523  1.00 13.94 ?  10  ILE A N   1 
ATOM   64   C  CA  . ILE A  1 10 ? 12.848 47.797 34.110  1.00 13.63 ?  10  ILE A CA  1 
ATOM   65   C  C   . ILE A  1 10 ? 14.193 47.452 33.486  1.00 15.75 ?  10  ILE A C   1 
ATOM   66   O  O   . ILE A  1 10 ? 15.249 47.880 33.969  1.00 20.75 ?  10  ILE A O   1 
ATOM   67   C  CB  . ILE A  1 10 ? 12.517 49.286 33.932  1.00 13.95 ?  10  ILE A CB  1 
ATOM   68   C  CG1 . ILE A  1 10 ? 11.147 49.604 34.535  1.00 16.68 ?  10  ILE A CG1 1 
ATOM   69   C  CG2 . ILE A  1 10 ? 12.554 49.666 32.459  1.00 15.45 ?  10  ILE A CG2 1 
ATOM   70   C  CD1 . ILE A  1 10 ? 10.764 51.067 34.445  1.00 16.55 ?  10  ILE A CD1 1 
ATOM   71   N  N   . CYS A  1 11 ? 14.160 46.673 32.408  1.00 12.01 ?  11  CYS A N   1 
ATOM   72   C  CA  . CYS A  1 11 ? 15.368 46.305 31.684  1.00 13.25 ?  11  CYS A CA  1 
ATOM   73   C  C   . CYS A  1 11 ? 15.612 47.294 30.554  1.00 18.25 ?  11  CYS A C   1 
ATOM   74   O  O   . CYS A  1 11 ? 14.717 47.555 29.743  1.00 19.19 ?  11  CYS A O   1 
ATOM   75   C  CB  . CYS A  1 11 ? 15.260 44.887 31.123  1.00 13.07 ?  11  CYS A CB  1 
ATOM   76   S  SG  . CYS A  1 11 ? 15.762 43.573 32.257  1.00 12.81 ?  11  CYS A SG  1 
ATOM   77   N  N   . SER A  1 12 ? 16.824 47.836 30.502  1.00 20.03 ?  12  SER A N   1 
ATOM   78   C  CA  . SER A  1 12 ? 17.201 48.726 29.418  1.00 20.20 ?  12  SER A CA  1 
ATOM   79   C  C   . SER A  1 12 ? 17.241 47.960 28.096  1.00 22.80 ?  12  SER A C   1 
ATOM   80   O  O   . SER A  1 12 ? 17.185 46.727 28.055  1.00 20.29 ?  12  SER A O   1 
ATOM   81   C  CB  . SER A  1 12 ? 18.556 49.371 29.703  1.00 22.83 ?  12  SER A CB  1 
ATOM   82   O  OG  . SER A  1 12 ? 18.962 50.199 28.628  1.00 38.90 ?  12  SER A OG  1 
ATOM   83   N  N   . LEU A  1 13 ? 17.339 48.715 26.999  1.00 20.29 ?  13  LEU A N   1 
ATOM   84   C  CA  . LEU A  1 13 ? 17.413 48.092 25.682  1.00 22.96 ?  13  LEU A CA  1 
ATOM   85   C  C   . LEU A  1 13 ? 18.632 47.187 25.559  1.00 22.78 ?  13  LEU A C   1 
ATOM   86   O  O   . LEU A  1 13 ? 18.576 46.165 24.866  1.00 19.82 ?  13  LEU A O   1 
ATOM   87   C  CB  . LEU A  1 13 ? 17.431 49.161 24.587  1.00 25.62 ?  13  LEU A CB  1 
ATOM   88   C  CG  . LEU A  1 13 ? 16.099 49.821 24.208  1.00 27.30 ?  13  LEU A CG  1 
ATOM   89   C  CD1 . LEU A  1 13 ? 15.016 48.771 24.046  1.00 24.48 ?  13  LEU A CD1 1 
ATOM   90   C  CD2 . LEU A  1 13 ? 15.678 50.884 25.213  1.00 36.05 ?  13  LEU A CD2 1 
ATOM   91   N  N   . TYR A  1 14 ? 19.736 47.539 26.222  1.00 21.79 ?  14  TYR A N   1 
ATOM   92   C  CA  . TYR A  1 14 ? 20.918 46.685 26.184  1.00 23.96 ?  14  TYR A CA  1 
ATOM   93   C  C   . TYR A  1 14 ? 20.704 45.401 26.977  1.00 19.93 ?  14  TYR A C   1 
ATOM   94   O  O   . TYR A  1 14 ? 21.193 44.336 26.584  1.00 19.70 ?  14  TYR A O   1 
ATOM   95   C  CB  . TYR A  1 14 ? 22.138 47.439 26.711  1.00 24.93 ?  14  TYR A CB  1 
ATOM   96   C  CG  . TYR A  1 14 ? 23.375 46.574 26.799  0.95 25.33 ?  14  TYR A CG  1 
ATOM   97   C  CD1 . TYR A  1 14 ? 24.111 46.265 25.664  0.96 27.66 ?  14  TYR A CD1 1 
ATOM   98   C  CD2 . TYR A  1 14 ? 23.800 46.058 28.017  0.00 25.37 ?  14  TYR A CD2 1 
ATOM   99   C  CE1 . TYR A  1 14 ? 25.238 45.470 25.737  0.39 28.31 ?  14  TYR A CE1 1 
ATOM   100  C  CE2 . TYR A  1 14 ? 24.927 45.262 28.101  0.90 29.56 ?  14  TYR A CE2 1 
ATOM   101  C  CZ  . TYR A  1 14 ? 25.642 44.972 26.958  0.57 30.80 ?  14  TYR A CZ  1 
ATOM   102  O  OH  . TYR A  1 14 ? 26.764 44.180 27.036  0.12 31.10 ?  14  TYR A OH  1 
ATOM   103  N  N   . GLN A  1 15 ? 19.991 45.483 28.104  1.00 24.69 ?  15  GLN A N   1 
ATOM   104  C  CA  . GLN A  1 15 ? 19.733 44.284 28.895  1.00 19.76 ?  15  GLN A CA  1 
ATOM   105  C  C   . GLN A  1 15 ? 18.861 43.295 28.133  1.00 14.99 ?  15  GLN A C   1 
ATOM   106  O  O   . GLN A  1 15 ? 19.056 42.079 28.239  1.00 17.86 ?  15  GLN A O   1 
ATOM   107  C  CB  . GLN A  1 15 ? 19.087 44.654 30.230  1.00 23.54 ?  15  GLN A CB  1 
ATOM   108  C  CG  . GLN A  1 15 ? 20.030 45.335 31.208  1.00 21.80 ?  15  GLN A CG  1 
ATOM   109  C  CD  . GLN A  1 15 ? 19.513 45.302 32.633  1.00 29.75 ?  15  GLN A CD  1 
ATOM   110  O  OE1 . GLN A  1 15 ? 18.866 46.242 33.094  1.00 29.30 ?  15  GLN A OE1 1 
ATOM   111  N  NE2 . GLN A  1 15 ? 19.797 44.213 33.339  1.00 33.82 ?  15  GLN A NE2 1 
ATOM   112  N  N   . LEU A  1 16 ? 17.891 43.797 27.362  1.00 17.70 ?  16  LEU A N   1 
ATOM   113  C  CA  . LEU A  1 16 ? 17.067 42.911 26.546  1.00 13.88 ?  16  LEU A CA  1 
ATOM   114  C  C   . LEU A  1 16 ? 17.894 42.179 25.497  1.00 14.74 ?  16  LEU A C   1 
ATOM   115  O  O   . LEU A  1 16 ? 17.519 41.081 25.072  1.00 13.90 ?  16  LEU A O   1 
ATOM   116  C  CB  . LEU A  1 16 ? 15.941 43.699 25.871  1.00 14.14 ?  16  LEU A CB  1 
ATOM   117  C  CG  . LEU A  1 16 ? 14.643 43.945 26.649  1.00 18.52 ?  16  LEU A CG  1 
ATOM   118  C  CD1 . LEU A  1 16 ? 14.587 43.114 27.926  1.00 17.54 ?  16  LEU A CD1 1 
ATOM   119  C  CD2 . LEU A  1 16 ? 14.448 45.424 26.950  1.00 17.20 ?  16  LEU A CD2 1 
ATOM   120  N  N   . GLU A  1 17 ? 19.018 42.764 25.071  1.00 19.76 ?  17  GLU A N   1 
ATOM   121  C  CA  . GLU A  1 17 ? 19.857 42.122 24.064  1.00 20.56 ?  17  GLU A CA  1 
ATOM   122  C  C   . GLU A  1 17 ? 20.464 40.818 24.560  1.00 17.31 ?  17  GLU A C   1 
ATOM   123  O  O   . GLU A  1 17 ? 20.862 39.983 23.741  1.00 18.01 ?  17  GLU A O   1 
ATOM   124  C  CB  . GLU A  1 17 ? 20.976 43.063 23.617  1.00 20.66 ?  17  GLU A CB  1 
ATOM   125  C  CG  . GLU A  1 17 ? 20.497 44.378 23.037  1.00 31.49 ?  17  GLU A CG  1 
ATOM   126  C  CD  . GLU A  1 17 ? 21.526 45.022 22.131  1.00 26.03 ?  17  GLU A CD  1 
ATOM   127  O  OE1 . GLU A  1 17 ? 22.428 44.303 21.651  1.00 28.12 ?  17  GLU A OE1 1 
ATOM   128  O  OE2 . GLU A  1 17 ? 21.432 46.245 21.896  1.00 39.05 -1 17  GLU A OE2 1 
ATOM   129  N  N   . ASN A  1 18 ? 20.548 40.626 25.878  1.00 16.20 ?  18  ASN A N   1 
ATOM   130  C  CA  . ASN A  1 18 ? 21.099 39.389 26.419  1.00 18.44 ?  18  ASN A CA  1 
ATOM   131  C  C   . ASN A  1 18 ? 20.265 38.171 26.044  1.00 15.65 ?  18  ASN A C   1 
ATOM   132  O  O   . ASN A  1 18 ? 20.771 37.045 26.102  1.00 15.80 ?  18  ASN A O   1 
ATOM   133  C  CB  . ASN A  1 18 ? 21.216 39.490 27.940  1.00 17.27 ?  18  ASN A CB  1 
ATOM   134  C  CG  . ASN A  1 18 ? 22.276 40.480 28.379  1.00 17.82 ?  18  ASN A CG  1 
ATOM   135  O  OD1 . ASN A  1 18 ? 23.233 40.744 27.652  1.00 21.16 ?  18  ASN A OD1 1 
ATOM   136  N  ND2 . ASN A  1 18 ? 22.114 41.030 29.577  1.00 21.36 ?  18  ASN A ND2 1 
ATOM   137  N  N   . TYR A  1 19 ? 19.005 38.369 25.662  1.00 13.29 ?  19  TYR A N   1 
ATOM   138  C  CA  . TYR A  1 19 ? 18.118 37.276 25.295  1.00 12.84 ?  19  TYR A CA  1 
ATOM   139  C  C   . TYR A  1 19 ? 17.902 37.176 23.790  1.00 13.28 ?  19  TYR A C   1 
ATOM   140  O  O   . TYR A  1 19 ? 16.982 36.480 23.349  1.00 12.67 ?  19  TYR A O   1 
ATOM   141  C  CB  . TYR A  1 19 ? 16.784 37.426 26.028  1.00 14.29 ?  19  TYR A CB  1 
ATOM   142  C  CG  . TYR A  1 19 ? 16.959 37.508 27.528  1.00 11.00 ?  19  TYR A CG  1 
ATOM   143  C  CD1 . TYR A  1 19 ? 17.097 36.358 28.294  1.00 10.55 ?  19  TYR A CD1 1 
ATOM   144  C  CD2 . TYR A  1 19 ? 17.010 38.736 28.176  1.00 10.12 ?  19  TYR A CD2 1 
ATOM   145  C  CE1 . TYR A  1 19 ? 17.268 36.427 29.663  1.00 14.85 ?  19  TYR A CE1 1 
ATOM   146  C  CE2 . TYR A  1 19 ? 17.182 38.815 29.545  1.00 14.27 ?  19  TYR A CE2 1 
ATOM   147  C  CZ  . TYR A  1 19 ? 17.310 37.657 30.283  1.00 13.41 ?  19  TYR A CZ  1 
ATOM   148  O  OH  . TYR A  1 19 ? 17.479 37.728 31.646  1.00 16.76 ?  19  TYR A OH  1 
ATOM   149  N  N   . CYS A  1 20 ? 18.720 37.861 22.996  1.00 17.45 ?  20  CYS A N   1 
ATOM   150  C  CA  . CYS A  1 20 ? 18.709 37.673 21.555  1.00 20.13 ?  20  CYS A CA  1 
ATOM   151  C  C   . CYS A  1 20 ? 19.491 36.417 21.181  1.00 19.00 ?  20  CYS A C   1 
ATOM   152  O  O   . CYS A  1 20 ? 20.358 35.947 21.923  1.00 21.68 ?  20  CYS A O   1 
ATOM   153  C  CB  . CYS A  1 20 ? 19.306 38.885 20.839  1.00 18.65 ?  20  CYS A CB  1 
ATOM   154  S  SG  . CYS A  1 20 ? 18.437 40.442 21.113  1.00 18.27 ?  20  CYS A SG  1 
ATOM   155  N  N   . ASN A  1 21 ? 19.174 35.875 20.010  1.00 18.39 ?  21  ASN A N   1 
ATOM   156  C  CA  . ASN A  1 21 ? 19.887 34.713 19.493  1.00 20.61 ?  21  ASN A CA  1 
ATOM   157  C  C   . ASN A  1 21 ? 21.272 35.113 18.996  1.00 22.33 ?  21  ASN A C   1 
ATOM   158  O  O   . ASN A  1 21 ? 22.204 34.309 18.990  1.00 26.13 ?  21  ASN A O   1 
ATOM   159  C  CB  . ASN A  1 21 ? 19.091 34.048 18.369  1.00 20.26 ?  21  ASN A CB  1 
ATOM   160  C  CG  . ASN A  1 21 ? 17.844 33.349 18.872  1.00 22.98 ?  21  ASN A CG  1 
ATOM   161  O  OD1 . ASN A  1 21 ? 17.503 33.437 20.051  1.00 24.00 ?  21  ASN A OD1 1 
ATOM   162  N  ND2 . ASN A  1 21 ? 17.156 32.649 17.977  1.00 27.95 ?  21  ASN A ND2 1 
ATOM   163  O  OXT . ASN A  1 21 ? 21.491 36.254 18.590  1.00 23.40 -1 21  ASN A OXT 1 
ATOM   164  N  N   . PHE B  2 1  ? 0.078  34.353 38.310  1.00 25.43 ?  1   PHE B N   1 
ATOM   165  C  CA  . PHE B  2 1  ? -0.038 35.801 38.433  1.00 21.55 ?  1   PHE B CA  1 
ATOM   166  C  C   . PHE B  2 1  ? -0.318 36.420 37.067  1.00 19.87 ?  1   PHE B C   1 
ATOM   167  O  O   . PHE B  2 1  ? 0.465  36.257 36.130  1.00 19.31 ?  1   PHE B O   1 
ATOM   168  C  CB  . PHE B  2 1  ? 1.236  36.393 39.044  1.00 29.64 ?  1   PHE B CB  1 
ATOM   169  C  CG  . PHE B  2 1  ? 1.003  37.632 39.867  1.00 33.26 ?  1   PHE B CG  1 
ATOM   170  C  CD1 . PHE B  2 1  ? 0.030  38.552 39.511  1.00 29.14 ?  1   PHE B CD1 1 
ATOM   171  C  CD2 . PHE B  2 1  ? 1.755  37.871 41.005  1.00 53.49 ?  1   PHE B CD2 1 
ATOM   172  C  CE1 . PHE B  2 1  ? -0.184 39.688 40.270  1.00 44.87 ?  1   PHE B CE1 1 
ATOM   173  C  CE2 . PHE B  2 1  ? 1.546  39.005 41.769  1.00 54.54 ?  1   PHE B CE2 1 
ATOM   174  C  CZ  . PHE B  2 1  ? 0.574  39.914 41.401  1.00 61.06 ?  1   PHE B CZ  1 
ATOM   175  N  N   . VAL B  2 2  ? -1.445 37.127 36.961  1.00 19.36 ?  2   VAL B N   1 
ATOM   176  C  CA  . VAL B  2 2  ? -1.808 37.761 35.697  1.00 19.91 ?  2   VAL B CA  1 
ATOM   177  C  C   . VAL B  2 2  ? -0.818 38.863 35.346  1.00 14.57 ?  2   VAL B C   1 
ATOM   178  O  O   . VAL B  2 2  ? -0.461 39.044 34.176  1.00 13.59 ?  2   VAL B O   1 
ATOM   179  C  CB  . VAL B  2 2  ? -3.251 38.295 35.761  1.00 20.76 ?  2   VAL B CB  1 
ATOM   180  C  CG1 . VAL B  2 2  ? -3.647 38.920 34.431  1.00 19.26 ?  2   VAL B CG1 1 
ATOM   181  C  CG2 . VAL B  2 2  ? -4.207 37.180 36.131  1.00 21.26 ?  2   VAL B CG2 1 
ATOM   182  N  N   . ASN B  2 3  ? -0.360 39.616 36.350  1.00 17.25 ?  3   ASN B N   1 
ATOM   183  C  CA  . ASN B  2 3  ? 0.584  40.699 36.093  1.00 19.85 ?  3   ASN B CA  1 
ATOM   184  C  C   . ASN B  2 3  ? 1.873  40.170 35.476  1.00 18.51 ?  3   ASN B C   1 
ATOM   185  O  O   . ASN B  2 3  ? 2.490  40.840 34.638  1.00 18.12 ?  3   ASN B O   1 
ATOM   186  C  CB  . ASN B  2 3  ? 0.879  41.456 37.389  1.00 29.73 ?  3   ASN B CB  1 
ATOM   187  C  CG  . ASN B  2 3  ? 1.104  42.938 37.160  1.00 42.60 ?  3   ASN B CG  1 
ATOM   188  O  OD1 . ASN B  2 3  ? 0.649  43.775 37.940  1.00 37.95 ?  3   ASN B OD1 1 
ATOM   189  N  ND2 . ASN B  2 3  ? 1.799  43.272 36.079  1.00 41.22 ?  3   ASN B ND2 1 
ATOM   190  N  N   . GLN B  2 4  ? 2.300  38.971 35.881  1.00 18.73 ?  4   GLN B N   1 
ATOM   191  C  CA  . GLN B  2 4  ? 3.453  38.345 35.242  1.00 15.20 ?  4   GLN B CA  1 
ATOM   192  C  C   . GLN B  2 4  ? 3.163  38.020 33.782  1.00 17.60 ?  4   GLN B C   1 
ATOM   193  O  O   . GLN B  2 4  ? 4.024  38.206 32.913  1.00 12.48 ?  4   GLN B O   1 
ATOM   194  C  CB  . GLN B  2 4  ? 3.856  37.083 36.004  1.00 18.80 ?  4   GLN B CB  1 
ATOM   195  C  CG  . GLN B  2 4  ? 5.009  36.325 35.368  1.00 15.31 ?  4   GLN B CG  1 
ATOM   196  C  CD  . GLN B  2 4  ? 5.316  35.022 36.076  1.00 19.68 ?  4   GLN B CD  1 
ATOM   197  O  OE1 . GLN B  2 4  ? 6.057  34.185 35.561  1.00 30.88 ?  4   GLN B OE1 1 
ATOM   198  N  NE2 . GLN B  2 4  ? 4.749  34.843 37.264  1.00 22.74 ?  4   GLN B NE2 1 
ATOM   199  N  N   . HIS B  2 5  ? 1.957  37.524 33.493  1.00 13.44 ?  5   HIS B N   1 
ATOM   200  C  CA  . HIS B  2 5  ? 1.600  37.213 32.112  1.00 15.95 ?  5   HIS B CA  1 
ATOM   201  C  C   . HIS B  2 5  ? 1.547  38.471 31.255  1.00 12.84 ?  5   HIS B C   1 
ATOM   202  O  O   . HIS B  2 5  ? 2.000  38.463 30.104  1.00 13.74 ?  5   HIS B O   1 
ATOM   203  C  CB  . HIS B  2 5  ? 0.261  36.478 32.067  1.00 13.96 ?  5   HIS B CB  1 
ATOM   204  C  CG  . HIS B  2 5  ? -0.180 36.115 30.683  1.00 20.20 ?  5   HIS B CG  1 
ATOM   205  N  ND1 . HIS B  2 5  ? -0.990 36.929 29.921  1.00 17.42 ?  5   HIS B ND1 1 
ATOM   206  C  CD2 . HIS B  2 5  ? 0.083  35.027 29.920  1.00 15.71 ?  5   HIS B CD2 1 
ATOM   207  C  CE1 . HIS B  2 5  ? -1.209 36.358 28.751  1.00 16.24 ?  5   HIS B CE1 1 
ATOM   208  N  NE2 . HIS B  2 5  ? -0.570 35.203 28.724  1.00 15.66 ?  5   HIS B NE2 1 
ATOM   209  N  N   . LEU B  2 6  ? 0.992  39.559 31.794  1.00 13.42 ?  6   LEU B N   1 
ATOM   210  C  CA  . LEU B  2 6  ? 0.941  40.812 31.047  1.00 12.87 ?  6   LEU B CA  1 
ATOM   211  C  C   . LEU B  2 6  ? 2.340  41.344 30.767  1.00 13.12 ?  6   LEU B C   1 
ATOM   212  O  O   . LEU B  2 6  ? 2.613  41.850 29.672  1.00 11.70 ?  6   LEU B O   1 
ATOM   213  C  CB  . LEU B  2 6  ? 0.119  41.849 31.812  1.00 13.13 ?  6   LEU B CB  1 
ATOM   214  C  CG  . LEU B  2 6  ? -1.322 41.470 32.157  1.00 13.49 ?  6   LEU B CG  1 
ATOM   215  C  CD1 . LEU B  2 6  ? -2.039 42.638 32.816  1.00 14.88 ?  6   LEU B CD1 1 
ATOM   216  C  CD2 . LEU B  2 6  ? -2.070 41.002 30.920  1.00 12.84 ?  6   LEU B CD2 1 
ATOM   217  N  N   . CYS B  2 7  ? 3.239  41.244 31.749  1.00 12.49 ?  7   CYS B N   1 
ATOM   218  C  CA  . CYS B  2 7  ? 4.602  41.726 31.556  1.00 12.65 ?  7   CYS B CA  1 
ATOM   219  C  C   . CYS B  2 7  ? 5.316  40.944 30.461  1.00 11.91 ?  7   CYS B C   1 
ATOM   220  O  O   . CYS B  2 7  ? 6.052  41.523 29.654  1.00 11.57 ?  7   CYS B O   1 
ATOM   221  C  CB  . CYS B  2 7  ? 5.377  41.649 32.871  1.00 13.74 ?  7   CYS B CB  1 
ATOM   222  S  SG  . CYS B  2 7  ? 7.095  42.172 32.726  1.00 14.27 ?  7   CYS B SG  1 
ATOM   223  N  N   . GLY B  2 8  ? 5.105  39.626 30.413  1.00 13.46 ?  8   GLY B N   1 
ATOM   224  C  CA  . GLY B  2 8  ? 5.755  38.816 29.397  1.00 14.27 ?  8   GLY B CA  1 
ATOM   225  C  C   . GLY B  2 8  ? 5.356  39.189 27.984  1.00 13.87 ?  8   GLY B C   1 
ATOM   226  O  O   . GLY B  2 8  ? 6.167  39.089 27.059  1.00 18.73 ?  8   GLY B O   1 
ATOM   227  N  N   . SER B  2 9  ? 4.106  39.618 27.792  1.00 15.37 ?  9   SER B N   1 
ATOM   228  C  CA  . SER B  2 9  ? 3.665  40.046 26.469  1.00 15.85 ?  9   SER B CA  1 
ATOM   229  C  C   . SER B  2 9  ? 4.416  41.286 26.000  1.00 12.09 ?  9   SER B C   1 
ATOM   230  O  O   . SER B  2 9  ? 4.667  41.444 24.801  1.00 13.30 ?  9   SER B O   1 
ATOM   231  C  CB  . SER B  2 9  ? 2.159  40.306 26.474  1.00 14.58 ?  9   SER B CB  1 
ATOM   232  O  OG  . SER B  2 9  ? 1.811  41.255 27.467  1.00 29.53 ?  9   SER B OG  1 
ATOM   233  N  N   . HIS B  2 10 ? 4.763  42.186 26.921  1.00 10.71 ?  10  HIS B N   1 
ATOM   234  C  CA  . HIS B  2 10 ? 5.585  43.332 26.555  1.00 16.13 ?  10  HIS B CA  1 
ATOM   235  C  C   . HIS B  2 10 ? 7.052  42.958 26.397  1.00 12.01 ?  10  HIS B C   1 
ATOM   236  O  O   . HIS B  2 10 ? 7.780  43.623 25.652  1.00 13.39 ?  10  HIS B O   1 
ATOM   237  C  CB  . HIS B  2 10 ? 5.428  44.444 27.591  1.00 13.86 ?  10  HIS B CB  1 
ATOM   238  C  CG  . HIS B  2 10 ? 4.066  45.061 27.604  1.00 12.65 ?  10  HIS B CG  1 
ATOM   239  N  ND1 . HIS B  2 10 ? 3.701  46.075 26.745  1.00 17.48 ?  10  HIS B ND1 1 
ATOM   240  C  CD2 . HIS B  2 10 ? 2.975  44.800 28.362  1.00 12.87 ?  10  HIS B CD2 1 
ATOM   241  C  CE1 . HIS B  2 10 ? 2.447  46.416 26.977  1.00 13.91 ?  10  HIS B CE1 1 
ATOM   242  N  NE2 . HIS B  2 10 ? 1.984  45.658 27.954  1.00 13.64 ?  10  HIS B NE2 1 
ATOM   243  N  N   . LEU B  2 11 ? 7.509  41.913 27.091  1.00 11.60 ?  11  LEU B N   1 
ATOM   244  C  CA  . LEU B  2 11 ? 8.890  41.473 26.924  1.00 16.50 ?  11  LEU B CA  1 
ATOM   245  C  C   . LEU B  2 11 ? 9.130  40.906 25.530  1.00 11.96 ?  11  LEU B C   1 
ATOM   246  O  O   . LEU B  2 11 ? 10.152 41.205 24.902  1.00 11.41 ?  11  LEU B O   1 
ATOM   247  C  CB  . LEU B  2 11 ? 9.251  40.442 27.993  1.00 14.50 ?  11  LEU B CB  1 
ATOM   248  C  CG  . LEU B  2 11 ? 10.028 40.976 29.199  1.00 16.85 ?  11  LEU B CG  1 
ATOM   249  C  CD1 . LEU B  2 11 ? 11.330 41.614 28.752  1.00 15.90 ?  11  LEU B CD1 1 
ATOM   250  C  CD2 . LEU B  2 11 ? 9.200  41.974 29.971  1.00 21.59 ?  11  LEU B CD2 1 
ATOM   251  N  N   . VAL B  2 12 ? 8.200  40.091 25.027  1.00 10.17 ?  12  VAL B N   1 
ATOM   252  C  CA  . VAL B  2 12 ? 8.393  39.475 23.717  1.00 16.62 ?  12  VAL B CA  1 
ATOM   253  C  C   . VAL B  2 12 ? 8.351  40.529 22.614  1.00 14.17 ?  12  VAL B C   1 
ATOM   254  O  O   . VAL B  2 12 ? 9.135  40.474 21.659  1.00 16.11 ?  12  VAL B O   1 
ATOM   255  C  CB  . VAL B  2 12 ? 7.361  38.351 23.488  1.00 14.12 ?  12  VAL B CB  1 
ATOM   256  C  CG1 A VAL B  2 12 ? 7.643  37.180 24.417  0.71 16.84 ?  12  VAL B CG1 1 
ATOM   257  C  CG1 B VAL B  2 12 ? 7.431  37.839 22.061  0.29 15.41 ?  12  VAL B CG1 1 
ATOM   258  C  CG2 A VAL B  2 12 ? 5.946  38.854 23.687  0.71 16.11 ?  12  VAL B CG2 1 
ATOM   259  C  CG2 B VAL B  2 12 ? 7.586  37.218 24.478  0.29 17.43 ?  12  VAL B CG2 1 
ATOM   260  N  N   . GLU B  2 13 ? 7.449  41.509 22.726  1.00 11.70 ?  13  GLU B N   1 
ATOM   261  C  CA  . GLU B  2 13 ? 7.407  42.568 21.723  1.00 15.37 ?  13  GLU B CA  1 
ATOM   262  C  C   . GLU B  2 13 ? 8.651  43.447 21.791  1.00 14.17 ?  13  GLU B C   1 
ATOM   263  O  O   . GLU B  2 13 ? 9.110  43.947 20.758  1.00 16.13 ?  13  GLU B O   1 
ATOM   264  C  CB  . GLU B  2 13 ? 6.136  43.409 21.881  1.00 13.72 ?  13  GLU B CB  1 
ATOM   265  C  CG  . GLU B  2 13 ? 6.140  44.388 23.045  1.00 28.83 ?  13  GLU B CG  1 
ATOM   266  C  CD  . GLU B  2 13 ? 4.884  45.238 23.098  0.00 20.03 ?  13  GLU B CD  1 
ATOM   267  O  OE1 . GLU B  2 13 ? 3.857  44.819 22.524  1.00 24.91 ?  13  GLU B OE1 1 
ATOM   268  O  OE2 . GLU B  2 13 ? 4.925  46.327 23.710  1.00 19.45 -1 13  GLU B OE2 1 
ATOM   269  N  N   . ALA B  2 14 ? 9.208  43.645 22.988  1.00 13.54 ?  14  ALA B N   1 
ATOM   270  C  CA  . ALA B  2 14 ? 10.461 44.381 23.106  1.00 11.81 ?  14  ALA B CA  1 
ATOM   271  C  C   . ALA B  2 14 ? 11.616 43.604 22.488  1.00 11.78 ?  14  ALA B C   1 
ATOM   272  O  O   . ALA B  2 14 ? 12.470 44.185 21.809  1.00 12.64 ?  14  ALA B O   1 
ATOM   273  C  CB  . ALA B  2 14 ? 10.748 44.700 24.572  1.00 12.19 ?  14  ALA B CB  1 
ATOM   274  N  N   . LEU B  2 15 ? 11.656 42.287 22.709  1.00 11.36 ?  15  LEU B N   1 
ATOM   275  C  CA  . LEU B  2 15 ? 12.726 41.470 22.146  1.00 11.61 ?  15  LEU B CA  1 
ATOM   276  C  C   . LEU B  2 15 ? 12.670 41.456 20.624  1.00 12.31 ?  15  LEU B C   1 
ATOM   277  O  O   . LEU B  2 15 ? 13.712 41.475 19.958  1.00 12.33 ?  15  LEU B O   1 
ATOM   278  C  CB  . LEU B  2 15 ? 12.646 40.045 22.695  1.00 11.41 ?  15  LEU B CB  1 
ATOM   279  C  CG  . LEU B  2 15 ? 12.977 39.854 24.175  1.00 11.68 ?  15  LEU B CG  1 
ATOM   280  C  CD1 . LEU B  2 15 ? 12.918 38.380 24.547  1.00 11.76 ?  15  LEU B CD1 1 
ATOM   281  C  CD2 . LEU B  2 15 ? 14.341 40.442 24.500  1.00 12.56 ?  15  LEU B CD2 1 
ATOM   282  N  N   . TYR B  2 16 ? 11.463 41.414 20.056  1.00 12.89 ?  16  TYR B N   1 
ATOM   283  C  CA  . TYR B  2 16 ? 11.326 41.379 18.603  1.00 13.32 ?  16  TYR B CA  1 
ATOM   284  C  C   . TYR B  2 16 ? 11.932 42.622 17.962  1.00 13.77 ?  16  TYR B C   1 
ATOM   285  O  O   . TYR B  2 16 ? 12.633 42.527 16.948  1.00 15.63 ?  16  TYR B O   1 
ATOM   286  C  CB  . TYR B  2 16 ? 9.851  41.238 18.224  1.00 14.75 ?  16  TYR B CB  1 
ATOM   287  C  CG  . TYR B  2 16 ? 9.584  41.267 16.736  1.00 17.50 ?  16  TYR B CG  1 
ATOM   288  C  CD1 . TYR B  2 16 ? 9.683  40.113 15.970  1.00 15.96 ?  16  TYR B CD1 1 
ATOM   289  C  CD2 . TYR B  2 16 ? 9.225  42.448 16.098  1.00 16.69 ?  16  TYR B CD2 1 
ATOM   290  C  CE1 . TYR B  2 16 ? 9.437  40.136 14.610  1.00 15.24 ?  16  TYR B CE1 1 
ATOM   291  C  CE2 . TYR B  2 16 ? 8.980  42.479 14.740  1.00 14.62 ?  16  TYR B CE2 1 
ATOM   292  C  CZ  . TYR B  2 16 ? 9.086  41.322 14.001  1.00 15.04 ?  16  TYR B CZ  1 
ATOM   293  O  OH  . TYR B  2 16 ? 8.840  41.352 12.648  1.00 16.47 ?  16  TYR B OH  1 
ATOM   294  N  N   . LEU B  2 17 ? 11.675 43.796 18.542  1.00 13.50 ?  17  LEU B N   1 
ATOM   295  C  CA  . LEU B  2 17 ? 12.247 45.026 18.005  1.00 17.39 ?  17  LEU B CA  1 
ATOM   296  C  C   . LEU B  2 17 ? 13.746 45.107 18.270  1.00 13.87 ?  17  LEU B C   1 
ATOM   297  O  O   . LEU B  2 17 ? 14.517 45.509 17.391  1.00 14.65 ?  17  LEU B O   1 
ATOM   298  C  CB  . LEU B  2 17 ? 11.533 46.237 18.602  1.00 18.09 ?  17  LEU B CB  1 
ATOM   299  C  CG  . LEU B  2 17 ? 12.135 47.602 18.260  1.00 19.35 ?  17  LEU B CG  1 
ATOM   300  C  CD1 . LEU B  2 17 ? 11.980 47.905 16.777  1.00 20.74 ?  17  LEU B CD1 1 
ATOM   301  C  CD2 . LEU B  2 17 ? 11.506 48.693 19.109  1.00 19.48 ?  17  LEU B CD2 1 
ATOM   302  N  N   . VAL B  2 18 ? 14.174 44.734 19.477  1.00 15.03 ?  18  VAL B N   1 
ATOM   303  C  CA  . VAL B  2 18 ? 15.575 44.891 19.859  1.00 14.06 ?  18  VAL B CA  1 
ATOM   304  C  C   . VAL B  2 18 ? 16.467 43.972 19.035  1.00 14.59 ?  18  VAL B C   1 
ATOM   305  O  O   . VAL B  2 18 ? 17.495 44.398 18.494  1.00 15.22 ?  18  VAL B O   1 
ATOM   306  C  CB  . VAL B  2 18 ? 15.746 44.636 21.366  1.00 13.92 ?  18  VAL B CB  1 
ATOM   307  C  CG1 . VAL B  2 18 ? 17.209 44.433 21.706  1.00 14.73 ?  18  VAL B CG1 1 
ATOM   308  C  CG2 . VAL B  2 18 ? 15.172 45.789 22.164  1.00 14.70 ?  18  VAL B CG2 1 
ATOM   309  N  N   . CYS B  2 19 ? 16.090 42.697 18.925  1.00 14.45 ?  19  CYS B N   1 
ATOM   310  C  CA  . CYS B  2 19 ? 16.975 41.715 18.310  1.00 18.55 ?  19  CYS B CA  1 
ATOM   311  C  C   . CYS B  2 19 ? 17.000 41.837 16.790  1.00 17.00 ?  19  CYS B C   1 
ATOM   312  O  O   . CYS B  2 19 ? 18.056 41.661 16.172  1.00 23.98 ?  19  CYS B O   1 
ATOM   313  C  CB  . CYS B  2 19 ? 16.559 40.308 18.730  1.00 16.60 ?  19  CYS B CB  1 
ATOM   314  S  SG  . CYS B  2 19 ? 16.532 40.065 20.520  1.00 13.75 ?  19  CYS B SG  1 
ATOM   315  N  N   . GLY B  2 20 ? 15.861 42.133 16.175  1.00 17.25 ?  20  GLY B N   1 
ATOM   316  C  CA  . GLY B  2 20 ? 15.834 42.279 14.727  1.00 16.38 ?  20  GLY B CA  1 
ATOM   317  C  C   . GLY B  2 20 ? 16.048 40.949 14.030  1.00 21.26 ?  20  GLY B C   1 
ATOM   318  O  O   . GLY B  2 20 ? 15.452 39.929 14.393  1.00 18.07 ?  20  GLY B O   1 
ATOM   319  N  N   . GLU B  2 21 ? 16.914 40.957 13.012  1.00 21.90 ?  21  GLU B N   1 
ATOM   320  C  CA  . GLU B  2 21 ? 17.153 39.762 12.210  0.54 26.23 ?  21  GLU B CA  1 
ATOM   321  C  C   . GLU B  2 21 ? 17.758 38.624 13.022  1.00 24.85 ?  21  GLU B C   1 
ATOM   322  O  O   . GLU B  2 21 ? 17.639 37.461 12.621  1.00 22.50 ?  21  GLU B O   1 
ATOM   323  C  CB  . GLU B  2 21 ? 18.069 40.098 11.031  1.00 35.07 ?  21  GLU B CB  1 
ATOM   324  C  CG  . GLU B  2 21 ? 17.632 41.313 10.231  1.00 39.41 ?  21  GLU B CG  1 
ATOM   325  C  CD  . GLU B  2 21 ? 18.581 41.634 9.093   1.00 44.40 ?  21  GLU B CD  1 
ATOM   326  O  OE1 . GLU B  2 21 ? 19.253 40.705 8.598   1.00 42.78 ?  21  GLU B OE1 1 
ATOM   327  O  OE2 . GLU B  2 21 ? 18.659 42.816 8.698   1.00 52.43 -1 21  GLU B OE2 1 
ATOM   328  N  N   . ARG B  2 22 ? 18.411 38.932 14.145  1.00 28.67 ?  22  ARG B N   1 
ATOM   329  C  CA  . ARG B  2 22 ? 18.987 37.884 14.981  1.00 25.03 ?  22  ARG B CA  1 
ATOM   330  C  C   . ARG B  2 22 ? 17.909 36.972 15.549  1.00 24.00 ?  22  ARG B C   1 
ATOM   331  O  O   . ARG B  2 22 ? 18.108 35.757 15.665  1.00 21.64 ?  22  ARG B O   1 
ATOM   332  C  CB  . ARG B  2 22 ? 19.803 38.507 16.113  1.00 23.62 ?  22  ARG B CB  1 
ATOM   333  C  CG  . ARG B  2 22 ? 21.079 39.198 15.670  1.00 22.02 ?  22  ARG B CG  1 
ATOM   334  C  CD  A ARG B  2 22 ? 21.714 39.954 16.824  0.74 23.34 ?  22  ARG B CD  1 
ATOM   335  C  CD  B ARG B  2 22 ? 21.763 39.876 16.845  0.26 23.32 ?  22  ARG B CD  1 
ATOM   336  N  NE  A ARG B  2 22 ? 20.881 41.066 17.266  0.74 21.21 ?  22  ARG B NE  1 
ATOM   337  N  NE  B ARG B  2 22 ? 21.992 38.951 17.949  0.26 23.14 ?  22  ARG B NE  1 
ATOM   338  C  CZ  A ARG B  2 22 ? 21.128 41.811 18.335  0.74 21.40 ?  22  ARG B CZ  1 
ATOM   339  C  CZ  B ARG B  2 22 ? 22.537 39.290 19.110  0.26 23.24 ?  22  ARG B CZ  1 
ATOM   340  N  NH1 A ARG B  2 22 ? 22.174 41.581 19.111  0.74 23.72 ?  22  ARG B NH1 1 
ATOM   341  N  NH1 B ARG B  2 22 ? 22.923 40.531 19.356  0.26 23.72 ?  22  ARG B NH1 1 
ATOM   342  N  NH2 A ARG B  2 22 ? 20.304 42.811 18.633  0.74 20.41 ?  22  ARG B NH2 1 
ATOM   343  N  NH2 B ARG B  2 22 ? 22.697 38.360 20.047  0.26 23.61 ?  22  ARG B NH2 1 
ATOM   344  N  N   . GLY B  2 23 ? 16.762 37.538 15.911  1.00 24.77 ?  23  GLY B N   1 
ATOM   345  C  CA  . GLY B  2 23 ? 15.740 36.786 16.604  1.00 21.98 ?  23  GLY B CA  1 
ATOM   346  C  C   . GLY B  2 23 ? 16.033 36.696 18.088  1.00 17.96 ?  23  GLY B C   1 
ATOM   347  O  O   . GLY B  2 23 ? 17.034 37.204 18.595  1.00 17.09 ?  23  GLY B O   1 
ATOM   348  N  N   . PHE B  2 24 ? 15.137 36.018 18.800  1.00 16.21 ?  24  PHE B N   1 
ATOM   349  C  CA  . PHE B  2 24 ? 15.237 35.944 20.248  1.00 15.69 ?  24  PHE B CA  1 
ATOM   350  C  C   . PHE B  2 24 ? 14.661 34.621 20.729  1.00 18.58 ?  24  PHE B C   1 
ATOM   351  O  O   . PHE B  2 24 ? 13.984 33.902 19.990  1.00 15.58 ?  24  PHE B O   1 
ATOM   352  C  CB  . PHE B  2 24 ? 14.514 37.118 20.918  1.00 14.58 ?  24  PHE B CB  1 
ATOM   353  C  CG  . PHE B  2 24 ? 13.038 37.161 20.637  1.00 13.21 ?  24  PHE B CG  1 
ATOM   354  C  CD1 . PHE B  2 24 ? 12.552 37.794 19.505  1.00 16.54 ?  24  PHE B CD1 1 
ATOM   355  C  CD2 . PHE B  2 24 ? 12.136 36.567 21.505  1.00 12.77 ?  24  PHE B CD2 1 
ATOM   356  C  CE1 . PHE B  2 24 ? 11.196 37.834 19.243  1.00 11.50 ?  24  PHE B CE1 1 
ATOM   357  C  CE2 . PHE B  2 24 ? 10.779 36.603 21.249  1.00 13.82 ?  24  PHE B CE2 1 
ATOM   358  C  CZ  . PHE B  2 24 ? 10.308 37.238 20.115  1.00 13.27 ?  24  PHE B CZ  1 
ATOM   359  N  N   . PHE B  2 25 ? 14.948 34.310 21.989  1.00 17.71 ?  25  PHE B N   1 
ATOM   360  C  CA  . PHE B  2 25 ? 14.350 33.183 22.689  1.00 19.01 ?  25  PHE B CA  1 
ATOM   361  C  C   . PHE B  2 25 ? 13.636 33.707 23.925  1.00 18.83 ?  25  PHE B C   1 
ATOM   362  O  O   . PHE B  2 25 ? 14.179 34.549 24.648  1.00 19.78 ?  25  PHE B O   1 
ATOM   363  C  CB  . PHE B  2 25 ? 15.406 32.140 23.075  1.00 24.73 ?  25  PHE B CB  1 
ATOM   364  C  CG  . PHE B  2 25 ? 16.500 32.675 23.962  1.00 23.90 ?  25  PHE B CG  1 
ATOM   365  C  CD1 . PHE B  2 25 ? 17.624 33.275 23.415  1.00 20.21 ?  25  PHE B CD1 1 
ATOM   366  C  CD2 . PHE B  2 25 ? 16.410 32.566 25.340  1.00 20.32 ?  25  PHE B CD2 1 
ATOM   367  C  CE1 . PHE B  2 25 ? 18.630 33.764 24.227  1.00 21.40 ?  25  PHE B CE1 1 
ATOM   368  C  CE2 . PHE B  2 25 ? 17.413 33.054 26.157  1.00 21.59 ?  25  PHE B CE2 1 
ATOM   369  C  CZ  . PHE B  2 25 ? 18.525 33.652 25.599  1.00 22.11 ?  25  PHE B CZ  1 
ATOM   370  N  N   . TYR B  2 26 ? 12.418 33.228 24.156  1.00 16.84 ?  26  TYR B N   1 
ATOM   371  C  CA  . TYR B  2 26 ? 11.663 33.554 25.360  1.00 18.45 ?  26  TYR B CA  1 
ATOM   372  C  C   . TYR B  2 26 ? 11.474 32.270 26.156  1.00 16.61 ?  26  TYR B C   1 
ATOM   373  O  O   . TYR B  2 26 ? 10.784 31.349 25.705  1.00 16.60 ?  26  TYR B O   1 
ATOM   374  C  CB  . TYR B  2 26 ? 10.321 34.200 25.024  1.00 13.74 ?  26  TYR B CB  1 
ATOM   375  C  CG  . TYR B  2 26 ? 9.526  34.571 26.254  1.00 19.47 ?  26  TYR B CG  1 
ATOM   376  C  CD1 . TYR B  2 26 ? 9.884  35.665 27.030  1.00 18.72 ?  26  TYR B CD1 1 
ATOM   377  C  CD2 . TYR B  2 26 ? 8.425  33.821 26.647  1.00 18.11 ?  26  TYR B CD2 1 
ATOM   378  C  CE1 . TYR B  2 26 ? 9.165  36.007 28.161  1.00 18.25 ?  26  TYR B CE1 1 
ATOM   379  C  CE2 . TYR B  2 26 ? 7.700  34.154 27.776  1.00 15.54 ?  26  TYR B CE2 1 
ATOM   380  C  CZ  . TYR B  2 26 ? 8.074  35.248 28.529  1.00 19.31 ?  26  TYR B CZ  1 
ATOM   381  O  OH  . TYR B  2 26 ? 7.356  35.585 29.654  1.00 25.93 ?  26  TYR B OH  1 
ATOM   382  N  N   . THR B  2 27 ? 12.091 32.208 27.335  1.00 21.42 ?  27  THR B N   1 
ATOM   383  C  CA  . THR B  2 27 ? 12.047 31.025 28.193  1.00 19.63 ?  27  THR B CA  1 
ATOM   384  C  C   . THR B  2 27 ? 11.765 31.462 29.623  1.00 28.02 ?  27  THR B C   1 
ATOM   385  O  O   . THR B  2 27 ? 12.689 31.798 30.377  1.00 32.51 ?  27  THR B O   1 
ATOM   386  C  CB  . THR B  2 27 ? 13.350 30.234 28.110  1.00 25.94 ?  27  THR B CB  1 
ATOM   387  O  OG1 . THR B  2 27 ? 13.630 29.912 26.742  1.00 32.40 ?  27  THR B OG1 1 
ATOM   388  C  CG2 . THR B  2 27 ? 13.242 28.945 28.913  1.00 26.11 ?  27  THR B CG2 1 
ATOM   389  N  N   . PRO B  2 28 ? 10.493 31.481 30.032  1.00 29.65 ?  28  PRO B N   1 
ATOM   390  C  CA  . PRO B  2 28 ? 10.199 31.803 31.438  1.00 30.19 ?  28  PRO B CA  1 
ATOM   391  C  C   . PRO B  2 28 ? 10.585 30.689 32.394  1.00 38.53 ?  28  PRO B C   1 
ATOM   392  O  O   . PRO B  2 28 ? 11.097 30.965 33.486  1.00 60.70 ?  28  PRO B O   1 
ATOM   393  C  CB  . PRO B  2 28 ? 8.685  32.052 31.426  1.00 29.16 ?  28  PRO B CB  1 
ATOM   394  C  CG  . PRO B  2 28 ? 8.185  31.227 30.287  1.00 22.53 ?  28  PRO B CG  1 
ATOM   395  C  CD  . PRO B  2 28 ? 9.271  31.252 29.243  1.00 19.84 ?  28  PRO B CD  1 
ATOM   396  N  N   . LYS B  2 29 ? 10.359 29.435 32.013  0.80 35.69 ?  29  LYS B N   1 
ATOM   397  C  CA  . LYS B  2 29 ? 10.685 28.299 32.868  0.64 38.80 ?  29  LYS B CA  1 
ATOM   398  C  C   . LYS B  2 29 ? 11.613 27.322 32.155  0.70 42.16 ?  29  LYS B C   1 
ATOM   399  O  O   . LYS B  2 29 ? 12.426 26.646 32.785  0.72 46.42 ?  29  LYS B O   1 
ATOM   400  C  CB  . LYS B  2 29 ? 9.410  27.581 33.315  0.46 38.35 ?  29  LYS B CB  1 
ATOM   401  C  CG  . LYS B  2 29 ? 9.149  27.647 34.811  0.31 34.83 ?  29  LYS B CG  1 
ATOM   402  C  CD  . LYS B  2 29 ? 9.048  29.085 35.292  0.91 35.94 ?  29  LYS B CD  1 
ATOM   403  C  CE  . LYS B  2 29 ? 7.875  29.807 34.647  0.71 32.82 ?  29  LYS B CE  1 
ATOM   404  N  NZ  . LYS B  2 29 ? 7.806  31.235 35.064  0.35 28.92 ?  29  LYS B NZ  1 
ATOM   405  O  OXT . LYS B  2 29 ? 11.572 27.186 30.932  1.00 60.73 -1 29  LYS B OXT 1 
ATOM   406  N  N   . GLY C  1 1  ? 9.677  28.894 6.715   1.00 30.51 ?  1   GLY C N   1 
ATOM   407  C  CA  . GLY C  1 1  ? 9.554  28.996 8.156   1.00 29.35 ?  1   GLY C CA  1 
ATOM   408  C  C   . GLY C  1 1  ? 8.273  29.676 8.596   1.00 28.30 ?  1   GLY C C   1 
ATOM   409  O  O   . GLY C  1 1  ? 7.264  29.641 7.893   1.00 28.46 ?  1   GLY C O   1 
ATOM   410  N  N   . ILE C  1 2  ? 8.319  30.309 9.770   1.00 27.33 ?  2   ILE C N   1 
ATOM   411  C  CA  . ILE C  1 2  ? 7.099  30.857 10.353  1.00 26.34 ?  2   ILE C CA  1 
ATOM   412  C  C   . ILE C  1 2  ? 6.640  32.099 9.592   1.00 29.08 ?  2   ILE C C   1 
ATOM   413  O  O   . ILE C  1 2  ? 5.437  32.321 9.416   1.00 26.06 ?  2   ILE C O   1 
ATOM   414  C  CB  . ILE C  1 2  ? 7.286  31.113 11.864  1.00 26.52 ?  2   ILE C CB  1 
ATOM   415  C  CG1 . ILE C  1 2  ? 5.971  31.556 12.503  1.00 27.28 ?  2   ILE C CG1 1 
ATOM   416  C  CG2 . ILE C  1 2  ? 8.402  32.102 12.144  1.00 27.85 ?  2   ILE C CG2 1 
ATOM   417  C  CD1 . ILE C  1 2  ? 6.097  31.828 13.979  1.00 29.93 ?  2   ILE C CD1 1 
ATOM   418  N  N   . VAL C  1 3  ? 7.571  32.934 9.134   1.00 26.90 ?  3   VAL C N   1 
ATOM   419  C  CA  . VAL C  1 3  ? 7.150  34.102 8.360   1.00 28.72 ?  3   VAL C CA  1 
ATOM   420  C  C   . VAL C  1 3  ? 6.591  33.676 7.007   1.00 28.11 ?  3   VAL C C   1 
ATOM   421  O  O   . VAL C  1 3  ? 5.591  34.225 6.521   1.00 30.14 ?  3   VAL C O   1 
ATOM   422  C  CB  . VAL C  1 3  ? 8.321  35.087 8.210   1.00 33.61 ?  3   VAL C CB  1 
ATOM   423  C  CG1 . VAL C  1 3  ? 8.012  36.137 7.184   1.00 37.79 ?  3   VAL C CG1 1 
ATOM   424  C  CG2 . VAL C  1 3  ? 8.622  35.743 9.541   1.00 28.63 ?  3   VAL C CG2 1 
ATOM   425  N  N   . GLU C  1 4  ? 7.215  32.682 6.383   1.00 28.97 ?  4   GLU C N   1 
ATOM   426  C  CA  . GLU C  1 4  ? 6.765  32.262 5.065   1.00 30.04 ?  4   GLU C CA  1 
ATOM   427  C  C   . GLU C  1 4  ? 5.367  31.670 5.125   1.00 29.68 ?  4   GLU C C   1 
ATOM   428  O  O   . GLU C  1 4  ? 4.537  31.945 4.254   1.00 31.75 ?  4   GLU C O   1 
ATOM   429  C  CB  . GLU C  1 4  ? 7.746  31.262 4.463   1.00 31.10 ?  4   GLU C CB  1 
ATOM   430  C  CG  . GLU C  1 4  ? 7.418  30.844 3.023   0.02 32.47 ?  4   GLU C CG  1 
ATOM   431  C  CD  . GLU C  1 4  ? 8.486  29.943 2.417   0.28 33.64 ?  4   GLU C CD  1 
ATOM   432  O  OE1 . GLU C  1 4  ? 9.484  29.647 3.109   0.69 33.40 ?  4   GLU C OE1 1 
ATOM   433  O  OE2 . GLU C  1 4  ? 8.330  29.530 1.248   0.36 34.90 -1 4   GLU C OE2 1 
ATOM   434  N  N   . GLN C  1 5  ? 5.079  30.876 6.157   1.00 28.89 ?  5   GLN C N   1 
ATOM   435  C  CA  . GLN C  1 5  ? 3.794  30.189 6.212   1.00 28.85 ?  5   GLN C CA  1 
ATOM   436  C  C   . GLN C  1 5  ? 2.692  31.099 6.737   1.00 27.99 ?  5   GLN C C   1 
ATOM   437  O  O   . GLN C  1 5  ? 1.604  31.163 6.156   1.00 28.43 ?  5   GLN C O   1 
ATOM   438  C  CB  . GLN C  1 5  ? 3.898  28.933 7.078   1.00 28.66 ?  5   GLN C CB  1 
ATOM   439  C  CG  . GLN C  1 5  ? 2.579  28.178 7.220   1.00 28.87 ?  5   GLN C CG  1 
ATOM   440  C  CD  . GLN C  1 5  ? 2.645  27.057 8.240   1.00 33.13 ?  5   GLN C CD  1 
ATOM   441  O  OE1 . GLN C  1 5  ? 3.639  26.904 8.950   1.00 37.17 ?  5   GLN C OE1 1 
ATOM   442  N  NE2 . GLN C  1 5  ? 1.581  26.267 8.318   1.00 29.32 ?  5   GLN C NE2 1 
ATOM   443  N  N   . CYS C  1 6  ? 2.952  31.806 7.834   1.00 26.89 ?  6   CYS C N   1 
ATOM   444  C  CA  . CYS C  1 6  ? 1.907  32.502 8.570   1.00 26.02 ?  6   CYS C CA  1 
ATOM   445  C  C   . CYS C  1 6  ? 1.754  33.969 8.192   1.00 25.97 ?  6   CYS C C   1 
ATOM   446  O  O   . CYS C  1 6  ? 0.829  34.622 8.684   1.00 25.39 ?  6   CYS C O   1 
ATOM   447  C  CB  . CYS C  1 6  ? 2.159  32.375 10.074  1.00 28.66 ?  6   CYS C CB  1 
ATOM   448  S  SG  . CYS C  1 6  ? 2.083  30.669 10.660  1.00 27.91 ?  6   CYS C SG  1 
ATOM   449  N  N   . CYS C  1 7  ? 2.626  34.512 7.345   1.00 21.60 ?  7   CYS C N   1 
ATOM   450  C  CA  . CYS C  1 7  ? 2.424  35.851 6.809   1.00 18.04 ?  7   CYS C CA  1 
ATOM   451  C  C   . CYS C  1 7  ? 1.881  35.834 5.387   1.00 21.10 ?  7   CYS C C   1 
ATOM   452  O  O   . CYS C  1 7  ? 1.671  36.902 4.804   1.00 23.78 ?  7   CYS C O   1 
ATOM   453  C  CB  . CYS C  1 7  ? 3.725  36.660 6.870   1.00 17.56 ?  7   CYS C CB  1 
ATOM   454  S  SG  . CYS C  1 7  ? 4.268  37.003 8.560   1.00 16.96 ?  7   CYS C SG  1 
ATOM   455  N  N   . THR C  1 8  ? 1.645  34.648 4.822   1.00 23.69 ?  8   THR C N   1 
ATOM   456  C  CA  . THR C  1 8  ? 0.937  34.504 3.560   1.00 23.10 ?  8   THR C CA  1 
ATOM   457  C  C   . THR C  1 8  ? -0.444 33.885 3.719   1.00 23.95 ?  8   THR C C   1 
ATOM   458  O  O   . THR C  1 8  ? -1.294 34.077 2.844   1.00 24.17 ?  8   THR C O   1 
ATOM   459  C  CB  . THR C  1 8  ? 1.754  33.651 2.577   1.00 20.24 ?  8   THR C CB  1 
ATOM   460  O  OG1 . THR C  1 8  ? 1.940  32.338 3.120   1.00 26.20 ?  8   THR C OG1 1 
ATOM   461  C  CG2 . THR C  1 8  ? 3.113  34.284 2.328   1.00 22.29 ?  8   THR C CG2 1 
ATOM   462  N  N   . SER C  1 9  ? -0.683 33.155 4.807   1.00 23.01 ?  9   SER C N   1 
ATOM   463  C  CA  . SER C  1 9  ? -1.991 32.606 5.129   1.00 23.91 ?  9   SER C CA  1 
ATOM   464  C  C   . SER C  1 9  ? -2.231 32.764 6.624   1.00 20.49 ?  9   SER C C   1 
ATOM   465  O  O   . SER C  1 9  ? -1.284 32.844 7.411   1.00 19.90 ?  9   SER C O   1 
ATOM   466  C  CB  . SER C  1 9  ? -2.102 31.127 4.732   1.00 21.71 ?  9   SER C CB  1 
ATOM   467  O  OG  . SER C  1 9  ? -1.788 30.940 3.362   1.00 45.65 ?  9   SER C OG  1 
ATOM   468  N  N   . ILE C  1 10 ? -3.504 32.810 7.011   1.00 20.90 ?  10  ILE C N   1 
ATOM   469  C  CA  . ILE C  1 10 ? -3.845 32.904 8.427   1.00 20.68 ?  10  ILE C CA  1 
ATOM   470  C  C   . ILE C  1 10 ? -3.563 31.562 9.089   1.00 24.09 ?  10  ILE C C   1 
ATOM   471  O  O   . ILE C  1 10 ? -4.137 30.534 8.712   1.00 21.72 ?  10  ILE C O   1 
ATOM   472  C  CB  . ILE C  1 10 ? -5.310 33.315 8.623   1.00 24.87 ?  10  ILE C CB  1 
ATOM   473  C  CG1 . ILE C  1 10 ? -5.540 34.751 8.154   1.00 30.32 ?  10  ILE C CG1 1 
ATOM   474  C  CG2 . ILE C  1 10 ? -5.706 33.175 10.087  1.00 27.78 ?  10  ILE C CG2 1 
ATOM   475  C  CD1 . ILE C  1 10 ? -6.936 35.264 8.452   1.00 24.88 ?  10  ILE C CD1 1 
ATOM   476  N  N   . CYS C  1 11 ? -2.681 31.568 10.083  1.00 22.33 ?  11  CYS C N   1 
ATOM   477  C  CA  . CYS C  1 11 ? -2.344 30.361 10.823  1.00 20.56 ?  11  CYS C CA  1 
ATOM   478  C  C   . CYS C  1 11 ? -3.260 30.221 12.031  1.00 20.79 ?  11  CYS C C   1 
ATOM   479  O  O   . CYS C  1 11 ? -3.459 31.181 12.783  1.00 22.02 ?  11  CYS C O   1 
ATOM   480  C  CB  . CYS C  1 11 ? -0.880 30.389 11.266  1.00 19.90 ?  11  CYS C CB  1 
ATOM   481  S  SG  . CYS C  1 11 ? 0.300  29.996 9.955   1.00 19.99 ?  11  CYS C SG  1 
ATOM   482  N  N   . SER C  1 12 ? -3.817 29.027 12.210  1.00 22.77 ?  12  SER C N   1 
ATOM   483  C  CA  . SER C  1 12 ? -4.652 28.742 13.364  1.00 21.97 ?  12  SER C CA  1 
ATOM   484  C  C   . SER C  1 12 ? -3.778 28.526 14.597  1.00 21.48 ?  12  SER C C   1 
ATOM   485  O  O   . SER C  1 12 ? -2.546 28.552 14.534  1.00 21.49 ?  12  SER C O   1 
ATOM   486  C  CB  . SER C  1 12 ? -5.535 27.526 13.093  1.00 23.14 ?  12  SER C CB  1 
ATOM   487  O  OG  . SER C  1 12 ? -4.751 26.366 12.872  1.00 23.49 ?  12  SER C OG  1 
ATOM   488  N  N   . LEU C  1 13 ? -4.430 28.310 15.743  1.00 19.68 ?  13  LEU C N   1 
ATOM   489  C  CA  . LEU C  1 13 ? -3.692 28.091 16.983  1.00 18.17 ?  13  LEU C CA  1 
ATOM   490  C  C   . LEU C  1 13 ? -2.843 26.828 16.905  1.00 17.12 ?  13  LEU C C   1 
ATOM   491  O  O   . LEU C  1 13 ? -1.716 26.796 17.414  1.00 17.79 ?  13  LEU C O   1 
ATOM   492  C  CB  . LEU C  1 13 ? -4.661 28.016 18.162  1.00 16.85 ?  13  LEU C CB  1 
ATOM   493  C  CG  . LEU C  1 13 ? -5.525 29.255 18.406  1.00 18.40 ?  13  LEU C CG  1 
ATOM   494  C  CD1 . LEU C  1 13 ? -6.459 29.029 19.584  1.00 22.18 ?  13  LEU C CD1 1 
ATOM   495  C  CD2 . LEU C  1 13 ? -4.655 30.479 18.637  1.00 18.14 ?  13  LEU C CD2 1 
ATOM   496  N  N   . TYR C  1 14 ? -3.372 25.774 16.280  1.00 16.26 ?  14  TYR C N   1 
ATOM   497  C  CA  . TYR C  1 14 ? -2.612 24.536 16.136  1.00 16.60 ?  14  TYR C CA  1 
ATOM   498  C  C   . TYR C  1 14 ? -1.385 24.737 15.254  1.00 17.99 ?  14  TYR C C   1 
ATOM   499  O  O   . TYR C  1 14 ? -0.309 24.203 15.547  1.00 21.01 ?  14  TYR C O   1 
ATOM   500  C  CB  . TYR C  1 14 ? -3.511 23.436 15.573  1.00 15.29 ?  14  TYR C CB  1 
ATOM   501  C  CG  . TYR C  1 14 ? -4.821 23.292 16.316  1.00 19.56 ?  14  TYR C CG  1 
ATOM   502  C  CD1 . TYR C  1 14 ? -4.914 22.503 17.455  1.00 19.70 ?  14  TYR C CD1 1 
ATOM   503  C  CD2 . TYR C  1 14 ? -5.964 23.951 15.880  1.00 23.59 ?  14  TYR C CD2 1 
ATOM   504  C  CE1 . TYR C  1 14 ? -6.109 22.372 18.138  1.00 22.37 ?  14  TYR C CE1 1 
ATOM   505  C  CE2 . TYR C  1 14 ? -7.163 23.827 16.557  1.00 18.03 ?  14  TYR C CE2 1 
ATOM   506  C  CZ  . TYR C  1 14 ? -7.230 23.036 17.685  1.00 20.61 ?  14  TYR C CZ  1 
ATOM   507  O  OH  . TYR C  1 14 ? -8.423 22.909 18.361  1.00 30.13 ?  14  TYR C OH  1 
ATOM   508  N  N   . GLN C  1 15 ? -1.530 25.494 14.163  1.00 18.93 ?  15  GLN C N   1 
ATOM   509  C  CA  . GLN C  1 15 ? -0.385 25.786 13.306  1.00 19.40 ?  15  GLN C CA  1 
ATOM   510  C  C   . GLN C  1 15 ? 0.649  26.638 14.032  1.00 18.11 ?  15  GLN C C   1 
ATOM   511  O  O   . GLN C  1 15 ? 1.857  26.417 13.885  1.00 18.57 ?  15  GLN C O   1 
ATOM   512  C  CB  . GLN C  1 15 ? -0.853 26.476 12.025  1.00 17.28 ?  15  GLN C CB  1 
ATOM   513  C  CG  . GLN C  1 15 ? -1.652 25.571 11.100  1.00 23.03 ?  15  GLN C CG  1 
ATOM   514  C  CD  . GLN C  1 15 ? -2.235 26.312 9.915   1.00 20.15 ?  15  GLN C CD  1 
ATOM   515  O  OE1 . GLN C  1 15 ? -3.034 27.234 10.077  1.00 17.00 ?  15  GLN C OE1 1 
ATOM   516  N  NE2 . GLN C  1 15 ? -1.838 25.913 8.712   1.00 19.38 ?  15  GLN C NE2 1 
ATOM   517  N  N   . LEU C  1 16 ? 0.195  27.620 14.815  1.00 14.23 ?  16  LEU C N   1 
ATOM   518  C  CA  . LEU C  1 16 ? 1.121  28.425 15.606  1.00 16.64 ?  16  LEU C CA  1 
ATOM   519  C  C   . LEU C  1 16 ? 1.822  27.588 16.667  1.00 17.12 ?  16  LEU C C   1 
ATOM   520  O  O   . LEU C  1 16 ? 2.993  27.834 16.980  1.00 17.34 ?  16  LEU C O   1 
ATOM   521  C  CB  . LEU C  1 16 ? 0.377  29.592 16.255  1.00 13.86 ?  16  LEU C CB  1 
ATOM   522  C  CG  . LEU C  1 16 ? -0.209 30.639 15.306  1.00 14.39 ?  16  LEU C CG  1 
ATOM   523  C  CD1 . LEU C  1 16 ? -1.191 31.540 16.039  1.00 14.39 ?  16  LEU C CD1 1 
ATOM   524  C  CD2 . LEU C  1 16 ? 0.899  31.461 14.664  1.00 15.03 ?  16  LEU C CD2 1 
ATOM   525  N  N   . GLU C  1 17 ? 1.126  26.596 17.229  1.00 19.23 ?  17  GLU C N   1 
ATOM   526  C  CA  . GLU C  1 17 ? 1.716  25.734 18.247  1.00 20.65 ?  17  GLU C CA  1 
ATOM   527  C  C   . GLU C  1 17 ? 2.888  24.921 17.711  1.00 17.27 ?  17  GLU C C   1 
ATOM   528  O  O   . GLU C  1 17 ? 3.724  24.463 18.498  1.00 18.50 ?  17  GLU C O   1 
ATOM   529  C  CB  . GLU C  1 17 ? 0.642  24.804 18.815  1.00 15.66 ?  17  GLU C CB  1 
ATOM   530  C  CG  . GLU C  1 17 ? 1.038  24.072 20.085  1.00 24.05 ?  17  GLU C CG  1 
ATOM   531  C  CD  . GLU C  1 17 ? -0.064 23.167 20.598  1.00 28.22 ?  17  GLU C CD  1 
ATOM   532  O  OE1 . GLU C  1 17 ? -0.991 22.861 19.819  1.00 17.50 ?  17  GLU C OE1 1 
ATOM   533  O  OE2 . GLU C  1 17 ? -0.006 22.764 21.779  1.00 40.20 -1 17  GLU C OE2 1 
ATOM   534  N  N   . ASN C  1 18 ? 2.971  24.737 16.390  1.00 16.65 ?  18  ASN C N   1 
ATOM   535  C  CA  . ASN C  1 18 ? 4.052  23.947 15.809  1.00 21.63 ?  18  ASN C CA  1 
ATOM   536  C  C   . ASN C  1 18 ? 5.418  24.576 16.056  1.00 21.66 ?  18  ASN C C   1 
ATOM   537  O  O   . ASN C  1 18 ? 6.425  23.862 16.124  1.00 21.57 ?  18  ASN C O   1 
ATOM   538  C  CB  . ASN C  1 18 ? 3.815  23.767 14.310  1.00 20.18 ?  18  ASN C CB  1 
ATOM   539  C  CG  . ASN C  1 18 ? 3.508  22.333 13.939  1.00 26.62 ?  18  ASN C CG  1 
ATOM   540  O  OD1 . ASN C  1 18 ? 4.056  21.799 12.975  1.00 32.35 ?  18  ASN C OD1 1 
ATOM   541  N  ND2 . ASN C  1 18 ? 2.639  21.695 14.715  1.00 29.80 ?  18  ASN C ND2 1 
ATOM   542  N  N   . TYR C  1 19 ? 5.476  25.897 16.191  1.00 21.00 ?  19  TYR C N   1 
ATOM   543  C  CA  . TYR C  1 19 ? 6.735  26.604 16.380  1.00 18.34 ?  19  TYR C CA  1 
ATOM   544  C  C   . TYR C  1 19 ? 7.107  26.775 17.847  1.00 18.29 ?  19  TYR C C   1 
ATOM   545  O  O   . TYR C  1 19 ? 8.114  27.426 18.144  1.00 19.00 ?  19  TYR C O   1 
ATOM   546  C  CB  . TYR C  1 19 ? 6.675  27.970 15.692  1.00 18.55 ?  19  TYR C CB  1 
ATOM   547  C  CG  . TYR C  1 19 ? 6.329  27.880 14.223  1.00 18.46 ?  19  TYR C CG  1 
ATOM   548  C  CD1 . TYR C  1 19 ? 7.313  27.646 13.271  1.00 21.54 ?  19  TYR C CD1 1 
ATOM   549  C  CD2 . TYR C  1 19 ? 5.018  28.018 13.789  1.00 17.55 ?  19  TYR C CD2 1 
ATOM   550  C  CE1 . TYR C  1 19 ? 7.000  27.556 11.928  1.00 21.55 ?  19  TYR C CE1 1 
ATOM   551  C  CE2 . TYR C  1 19 ? 4.695  27.931 12.449  1.00 18.49 ?  19  TYR C CE2 1 
ATOM   552  C  CZ  . TYR C  1 19 ? 5.690  27.701 11.523  1.00 24.76 ?  19  TYR C CZ  1 
ATOM   553  O  OH  . TYR C  1 19 ? 5.374  27.614 10.187  1.00 24.29 ?  19  TYR C OH  1 
ATOM   554  N  N   . CYS C  1 20 ? 6.322  26.219 18.764  1.00 20.16 ?  20  CYS C N   1 
ATOM   555  C  CA  . CYS C  1 20 ? 6.653  26.260 20.178  1.00 18.58 ?  20  CYS C CA  1 
ATOM   556  C  C   . CYS C  1 20 ? 7.772  25.272 20.497  1.00 20.55 ?  20  CYS C C   1 
ATOM   557  O  O   . CYS C  1 20 ? 8.026  24.318 19.757  1.00 26.43 ?  20  CYS C O   1 
ATOM   558  C  CB  . CYS C  1 20 ? 5.425  25.943 21.030  1.00 18.30 ?  20  CYS C CB  1 
ATOM   559  S  SG  . CYS C  1 20 ? 4.033  27.057 20.773  1.00 18.98 ?  20  CYS C SG  1 
ATOM   560  N  N   . ASN C  1 21 ? 8.444  25.513 21.618  1.00 22.80 ?  21  ASN C N   1 
ATOM   561  C  CA  . ASN C  1 21 ? 9.475  24.599 22.098  1.00 23.86 ?  21  ASN C CA  1 
ATOM   562  C  C   . ASN C  1 21 ? 8.843  23.341 22.683  1.00 28.33 ?  21  ASN C C   1 
ATOM   563  O  O   . ASN C  1 21 ? 9.528  22.357 22.961  1.00 48.82 ?  21  ASN C O   1 
ATOM   564  C  CB  . ASN C  1 21 ? 10.362 25.279 23.143  1.00 24.84 ?  21  ASN C CB  1 
ATOM   565  C  CG  . ASN C  1 21 ? 11.317 26.284 22.532  1.00 29.67 ?  21  ASN C CG  1 
ATOM   566  O  OD1 . ASN C  1 21 ? 11.779 26.113 21.404  1.00 35.68 ?  21  ASN C OD1 1 
ATOM   567  N  ND2 . ASN C  1 21 ? 11.621 27.341 23.277  1.00 29.01 ?  21  ASN C ND2 1 
ATOM   568  O  OXT . ASN C  1 21 ? 7.631  23.280 22.891  1.00 29.82 -1 21  ASN C OXT 1 
ATOM   569  N  N   . PHE D  2 1  ? 12.254 45.080 4.555   1.00 33.02 ?  1   PHE D N   1 
ATOM   570  C  CA  . PHE D  2 1  ? 10.868 45.282 4.145   1.00 34.25 ?  1   PHE D CA  1 
ATOM   571  C  C   . PHE D  2 1  ? 9.944  45.434 5.352   1.00 32.41 ?  1   PHE D C   1 
ATOM   572  O  O   . PHE D  2 1  ? 10.113 44.751 6.362   1.00 46.82 ?  1   PHE D O   1 
ATOM   573  C  CB  . PHE D  2 1  ? 10.400 44.127 3.265   1.00 38.93 ?  1   PHE D CB  1 
ATOM   574  C  CG  . PHE D  2 1  ? 8.986  44.265 2.807   1.00 41.57 ?  1   PHE D CG  1 
ATOM   575  C  CD1 . PHE D  2 1  ? 8.644  45.206 1.851   1.00 40.29 ?  1   PHE D CD1 1 
ATOM   576  C  CD2 . PHE D  2 1  ? 7.996  43.465 3.340   1.00 37.05 ?  1   PHE D CD2 1 
ATOM   577  C  CE1 . PHE D  2 1  ? 7.338  45.341 1.432   1.00 42.76 ?  1   PHE D CE1 1 
ATOM   578  C  CE2 . PHE D  2 1  ? 6.696  43.594 2.927   1.00 41.39 ?  1   PHE D CE2 1 
ATOM   579  C  CZ  . PHE D  2 1  ? 6.362  44.534 1.971   1.00 38.83 ?  1   PHE D CZ  1 
ATOM   580  N  N   . VAL D  2 2  ? 8.952  46.313 5.229   1.00 36.43 ?  2   VAL D N   1 
ATOM   581  C  CA  . VAL D  2 2  ? 8.178  46.766 6.384   1.00 26.23 ?  2   VAL D CA  1 
ATOM   582  C  C   . VAL D  2 2  ? 7.022  45.826 6.703   1.00 23.08 ?  2   VAL D C   1 
ATOM   583  O  O   . VAL D  2 2  ? 6.831  45.441 7.859   1.00 23.95 ?  2   VAL D O   1 
ATOM   584  C  CB  . VAL D  2 2  ? 7.677  48.208 6.150   1.00 26.02 ?  2   VAL D CB  1 
ATOM   585  C  CG1 . VAL D  2 2  ? 6.731  48.634 7.266   1.00 27.71 ?  2   VAL D CG1 1 
ATOM   586  C  CG2 . VAL D  2 2  ? 8.852  49.159 6.061   1.00 27.59 ?  2   VAL D CG2 1 
ATOM   587  N  N   . ASN D  2 3  ? 6.227  45.440 5.701   1.00 24.60 ?  3   ASN D N   1 
ATOM   588  C  CA  . ASN D  2 3  ? 5.000  44.703 5.994   1.00 28.17 ?  3   ASN D CA  1 
ATOM   589  C  C   . ASN D  2 3  ? 5.286  43.315 6.556   1.00 19.60 ?  3   ASN D C   1 
ATOM   590  O  O   . ASN D  2 3  ? 4.497  42.800 7.358   1.00 17.26 ?  3   ASN D O   1 
ATOM   591  C  CB  . ASN D  2 3  ? 4.125  44.603 4.744   1.00 27.86 ?  3   ASN D CB  1 
ATOM   592  C  CG  . ASN D  2 3  ? 2.763  44.009 5.033   0.00 26.62 ?  3   ASN D CG  1 
ATOM   593  O  OD1 . ASN D  2 3  ? 2.595  42.790 5.046   0.28 28.74 ?  3   ASN D OD1 1 
ATOM   594  N  ND2 . ASN D  2 3  ? 1.781  44.870 5.268   0.31 29.98 ?  3   ASN D ND2 1 
ATOM   595  N  N   . GLN D  2 4  ? 6.399  42.696 6.156   1.00 25.17 ?  4   GLN D N   1 
ATOM   596  C  CA  . GLN D  2 4  ? 6.801  41.441 6.782   1.00 27.44 ?  4   GLN D CA  1 
ATOM   597  C  C   . GLN D  2 4  ? 7.220  41.657 8.230   1.00 20.15 ?  4   GLN D C   1 
ATOM   598  O  O   . GLN D  2 4  ? 6.960  40.803 9.086   1.00 18.20 ?  4   GLN D O   1 
ATOM   599  C  CB  . GLN D  2 4  ? 7.934  40.798 5.977   1.00 28.63 ?  4   GLN D CB  1 
ATOM   600  C  CG  . GLN D  2 4  ? 8.793  39.830 6.754   1.00 27.79 ?  4   GLN D CG  1 
ATOM   601  C  CD  . GLN D  2 4  ? 10.110 39.551 6.066   1.00 44.21 ?  4   GLN D CD  1 
ATOM   602  O  OE1 . GLN D  2 4  ? 10.152 38.919 5.011   1.00 48.63 ?  4   GLN D OE1 1 
ATOM   603  N  NE2 . GLN D  2 4  ? 11.197 40.036 6.654   1.00 61.29 ?  4   GLN D NE2 1 
ATOM   604  N  N   . HIS D  2 5  ? 7.867  42.788 8.520   1.00 21.66 ?  5   HIS D N   1 
ATOM   605  C  CA  . HIS D  2 5  ? 8.200  43.119 9.901   1.00 19.82 ?  5   HIS D CA  1 
ATOM   606  C  C   . HIS D  2 5  ? 6.942  43.317 10.736  1.00 17.62 ?  5   HIS D C   1 
ATOM   607  O  O   . HIS D  2 5  ? 6.885  42.898 11.898  1.00 18.42 ?  5   HIS D O   1 
ATOM   608  C  CB  . HIS D  2 5  ? 9.076  44.372 9.939   1.00 21.71 ?  5   HIS D CB  1 
ATOM   609  C  CG  . HIS D  2 5  ? 9.583  44.713 11.305  1.00 23.63 ?  5   HIS D CG  1 
ATOM   610  N  ND1 . HIS D  2 5  ? 8.834  45.418 12.222  1.00 28.10 ?  5   HIS D ND1 1 
ATOM   611  C  CD2 . HIS D  2 5  ? 10.765 44.447 11.909  1.00 23.70 ?  5   HIS D CD2 1 
ATOM   612  C  CE1 . HIS D  2 5  ? 9.533  45.572 13.333  1.00 26.40 ?  5   HIS D CE1 1 
ATOM   613  N  NE2 . HIS D  2 5  ? 10.709 44.992 13.168  1.00 27.18 ?  5   HIS D NE2 1 
ATOM   614  N  N   . LEU D  2 6  ? 5.925  43.969 10.164  1.00 17.01 ?  6   LEU D N   1 
ATOM   615  C  CA  . LEU D  2 6  ? 4.674  44.172 10.888  1.00 15.41 ?  6   LEU D CA  1 
ATOM   616  C  C   . LEU D  2 6  ? 3.984  42.846 11.184  1.00 17.71 ?  6   LEU D C   1 
ATOM   617  O  O   . LEU D  2 6  ? 3.465  42.643 12.288  1.00 18.95 ?  6   LEU D O   1 
ATOM   618  C  CB  . LEU D  2 6  ? 3.747  45.090 10.090  1.00 15.54 ?  6   LEU D CB  1 
ATOM   619  C  CG  . LEU D  2 6  ? 4.287  46.474 9.727   1.00 17.37 ?  6   LEU D CG  1 
ATOM   620  C  CD1 . LEU D  2 6  ? 3.225  47.293 9.006   1.00 22.02 ?  6   LEU D CD1 1 
ATOM   621  C  CD2 . LEU D  2 6  ? 4.784  47.201 10.966  1.00 17.68 ?  6   LEU D CD2 1 
ATOM   622  N  N   . CYS D  2 7  ? 3.963  41.933 10.209  1.00 15.25 ?  7   CYS D N   1 
ATOM   623  C  CA  . CYS D  2 7  ? 3.356  40.626 10.438  1.00 14.07 ?  7   CYS D CA  1 
ATOM   624  C  C   . CYS D  2 7  ? 4.113  39.850 11.507  1.00 13.21 ?  7   CYS D C   1 
ATOM   625  O  O   . CYS D  2 7  ? 3.507  39.132 12.311  1.00 12.21 ?  7   CYS D O   1 
ATOM   626  C  CB  . CYS D  2 7  ? 3.296  39.833 9.131   1.00 14.28 ?  7   CYS D CB  1 
ATOM   627  S  SG  . CYS D  2 7  ? 2.757  38.117 9.337   1.00 13.90 ?  7   CYS D SG  1 
ATOM   628  N  N   . GLY D  2 8  ? 5.441  39.981 11.530  1.00 16.48 ?  8   GLY D N   1 
ATOM   629  C  CA  . GLY D  2 8  ? 6.226  39.311 12.552  1.00 14.80 ?  8   GLY D CA  1 
ATOM   630  C  C   . GLY D  2 8  ? 5.917  39.792 13.955  1.00 13.90 ?  8   GLY D C   1 
ATOM   631  O  O   . GLY D  2 8  ? 5.977  39.010 14.908  1.00 13.58 ?  8   GLY D O   1 
ATOM   632  N  N   . SER D  2 9  ? 5.591  41.079 14.107  1.00 13.81 ?  9   SER D N   1 
ATOM   633  C  CA  . SER D  2 9  ? 5.257  41.611 15.425  1.00 13.45 ?  9   SER D CA  1 
ATOM   634  C  C   . SER D  2 9  ? 4.020  40.928 15.993  1.00 14.92 ?  9   SER D C   1 
ATOM   635  O  O   . SER D  2 9  ? 3.994  40.535 17.165  1.00 17.55 ?  9   SER D O   1 
ATOM   636  C  CB  . SER D  2 9  ? 5.043  43.124 15.345  1.00 14.05 ?  9   SER D CB  1 
ATOM   637  O  OG  . SER D  2 9  ? 6.214  43.790 14.909  1.00 23.45 ?  9   SER D OG  1 
ATOM   638  N  N   . HIS D  2 10 ? 2.979  40.777 15.172  1.00 11.30 ?  10  HIS D N   1 
ATOM   639  C  CA  . HIS D  2 10 ? 1.799  40.039 15.603  1.00 13.91 ?  10  HIS D CA  1 
ATOM   640  C  C   . HIS D  2 10 ? 2.068  38.547 15.704  1.00 13.04 ?  10  HIS D C   1 
ATOM   641  O  O   . HIS D  2 10 ? 1.352  37.845 16.425  1.00 12.74 ?  10  HIS D O   1 
ATOM   642  C  CB  . HIS D  2 10 ? 0.637  40.293 14.643  1.00 16.58 ?  10  HIS D CB  1 
ATOM   643  C  CG  . HIS D  2 10 ? 0.228  41.729 14.560  1.00 16.63 ?  10  HIS D CG  1 
ATOM   644  N  ND1 . HIS D  2 10 ? -0.650 42.304 15.454  1.00 13.04 ?  10  HIS D ND1 1 
ATOM   645  C  CD2 . HIS D  2 10 ? 0.577  42.708 13.693  1.00 21.26 ?  10  HIS D CD2 1 
ATOM   646  C  CE1 . HIS D  2 10 ? -0.825 43.575 15.139  1.00 17.82 ?  10  HIS D CE1 1 
ATOM   647  N  NE2 . HIS D  2 10 ? -0.091 43.845 14.075  1.00 22.61 ?  10  HIS D NE2 1 
ATOM   648  N  N   . LEU D  2 11 ? 3.084  38.050 14.996  1.00 13.92 ?  11  LEU D N   1 
ATOM   649  C  CA  . LEU D  2 11 ? 3.392  36.626 15.031  1.00 13.47 ?  11  LEU D CA  1 
ATOM   650  C  C   . LEU D  2 11 ? 3.965  36.220 16.385  1.00 12.36 ?  11  LEU D C   1 
ATOM   651  O  O   . LEU D  2 11 ? 3.537  35.223 16.976  1.00 15.38 ?  11  LEU D O   1 
ATOM   652  C  CB  . LEU D  2 11 ? 4.361  36.282 13.900  1.00 12.59 ?  11  LEU D CB  1 
ATOM   653  C  CG  . LEU D  2 11 ? 4.128  34.966 13.160  1.00 19.58 ?  11  LEU D CG  1 
ATOM   654  C  CD1 . LEU D  2 11 ? 2.649  34.770 12.871  1.00 17.49 ?  11  LEU D CD1 1 
ATOM   655  C  CD2 . LEU D  2 11 ? 4.928  34.954 11.870  1.00 14.72 ?  11  LEU D CD2 1 
ATOM   656  N  N   . VAL D  2 12 ? 4.930  36.990 16.898  1.00 12.03 ?  12  VAL D N   1 
ATOM   657  C  CA  . VAL D  2 12 ? 5.533  36.648 18.184  1.00 12.62 ?  12  VAL D CA  1 
ATOM   658  C  C   . VAL D  2 12 ? 4.523  36.795 19.316  1.00 13.67 ?  12  VAL D C   1 
ATOM   659  O  O   . VAL D  2 12 ? 4.558  36.031 20.289  1.00 18.68 ?  12  VAL D O   1 
ATOM   660  C  CB  . VAL D  2 12 ? 6.800  37.492 18.433  1.00 14.14 ?  12  VAL D CB  1 
ATOM   661  C  CG1 . VAL D  2 12 ? 7.858  37.178 17.387  1.00 15.52 ?  12  VAL D CG1 1 
ATOM   662  C  CG2 . VAL D  2 12 ? 6.478  38.977 18.438  1.00 14.01 ?  12  VAL D CG2 1 
ATOM   663  N  N   . GLU D  2 13 ? 3.617  37.772 19.221  1.00 12.29 ?  13  GLU D N   1 
ATOM   664  C  CA  . GLU D  2 13 ? 2.563  37.900 20.223  1.00 17.96 ?  13  GLU D CA  1 
ATOM   665  C  C   . GLU D  2 13 ? 1.654  36.678 20.220  1.00 15.22 ?  13  GLU D C   1 
ATOM   666  O  O   . GLU D  2 13 ? 1.250  36.192 21.283  1.00 14.34 ?  13  GLU D O   1 
ATOM   667  C  CB  . GLU D  2 13 ? 1.753  39.173 19.977  1.00 13.40 ?  13  GLU D CB  1 
ATOM   668  C  CG  . GLU D  2 13 ? 1.785  40.166 21.130  1.00 37.80 ?  13  GLU D CG  1 
ATOM   669  C  CD  . GLU D  2 13 ? 1.091  39.646 22.377  0.00 26.66 ?  13  GLU D CD  1 
ATOM   670  O  OE1 . GLU D  2 13 ? 0.207  38.772 22.251  1.00 40.96 ?  13  GLU D OE1 1 
ATOM   671  O  OE2 . GLU D  2 13 ? 1.432  40.111 23.485  0.49 32.57 -1 13  GLU D OE2 1 
ATOM   672  N  N   . ALA D  2 14 ? 1.316  36.172 19.032  1.00 11.38 ?  14  ALA D N   1 
ATOM   673  C  CA  . ALA D  2 14 ? 0.519  34.953 18.945  1.00 10.82 ?  14  ALA D CA  1 
ATOM   674  C  C   . ALA D  2 14 ? 1.268  33.762 19.531  1.00 10.73 ?  14  ALA D C   1 
ATOM   675  O  O   . ALA D  2 14 ? 0.682  32.939 20.244  1.00 10.38 ?  14  ALA D O   1 
ATOM   676  C  CB  . ALA D  2 14 ? 0.132  34.682 17.491  1.00 9.72  ?  14  ALA D CB  1 
ATOM   677  N  N   . LEU D  2 15 ? 2.567  33.657 19.243  1.00 17.36 ?  15  LEU D N   1 
ATOM   678  C  CA  . LEU D  2 15 ? 3.360  32.552 19.774  1.00 13.18 ?  15  LEU D CA  1 
ATOM   679  C  C   . LEU D  2 15 ? 3.449  32.617 21.293  1.00 14.68 ?  15  LEU D C   1 
ATOM   680  O  O   . LEU D  2 15 ? 3.400  31.583 21.969  1.00 12.80 ?  15  LEU D O   1 
ATOM   681  C  CB  . LEU D  2 15 ? 4.756  32.557 19.149  1.00 15.86 ?  15  LEU D CB  1 
ATOM   682  C  CG  . LEU D  2 15 ? 4.975  31.768 17.851  1.00 15.56 ?  15  LEU D CG  1 
ATOM   683  C  CD1 . LEU D  2 15 ? 5.004  30.274 18.124  1.00 24.01 ?  15  LEU D CD1 1 
ATOM   684  C  CD2 . LEU D  2 15 ? 3.912  32.086 16.811  1.00 22.25 ?  15  LEU D CD2 1 
ATOM   685  N  N   . TYR D  2 16 ? 3.575  33.824 21.849  1.00 15.48 ?  16  TYR D N   1 
ATOM   686  C  CA  . TYR D  2 16 ? 3.627  33.966 23.300  1.00 13.76 ?  16  TYR D CA  1 
ATOM   687  C  C   . TYR D  2 16 ? 2.352  33.444 23.950  1.00 14.86 ?  16  TYR D C   1 
ATOM   688  O  O   . TYR D  2 16 ? 2.401  32.792 25.000  1.00 12.86 ?  16  TYR D O   1 
ATOM   689  C  CB  . TYR D  2 16 ? 3.861  35.429 23.676  1.00 18.03 ?  16  TYR D CB  1 
ATOM   690  C  CG  . TYR D  2 16 ? 3.697  35.719 25.151  1.00 18.44 ?  16  TYR D CG  1 
ATOM   691  C  CD1 . TYR D  2 16 ? 4.680  35.360 26.063  1.00 17.33 ?  16  TYR D CD1 1 
ATOM   692  C  CD2 . TYR D  2 16 ? 2.560  36.359 25.631  1.00 13.73 ?  16  TYR D CD2 1 
ATOM   693  C  CE1 . TYR D  2 16 ? 4.533  35.623 27.413  1.00 18.57 ?  16  TYR D CE1 1 
ATOM   694  C  CE2 . TYR D  2 16 ? 2.405  36.627 26.978  1.00 15.10 ?  16  TYR D CE2 1 
ATOM   695  C  CZ  . TYR D  2 16 ? 3.395  36.257 27.865  1.00 16.57 ?  16  TYR D CZ  1 
ATOM   696  O  OH  . TYR D  2 16 ? 3.246  36.523 29.206  1.00 18.31 ?  16  TYR D OH  1 
ATOM   697  N  N   . LEU D  2 17 ? 1.200  33.722 23.340  1.00 14.57 ?  17  LEU D N   1 
ATOM   698  C  CA  . LEU D  2 17 ? -0.064 33.246 23.889  1.00 11.14 ?  17  LEU D CA  1 
ATOM   699  C  C   . LEU D  2 17 ? -0.198 31.735 23.734  1.00 14.03 ?  17  LEU D C   1 
ATOM   700  O  O   . LEU D  2 17 ? -0.564 31.033 24.684  1.00 14.59 ?  17  LEU D O   1 
ATOM   701  C  CB  . LEU D  2 17 ? -1.227 33.967 23.207  1.00 14.05 ?  17  LEU D CB  1 
ATOM   702  C  CG  A LEU D  2 17 ? -1.274 35.488 23.367  0.58 17.29 ?  17  LEU D CG  1 
ATOM   703  C  CG  B LEU D  2 17 ? -2.590 33.910 23.898  0.42 16.76 ?  17  LEU D CG  1 
ATOM   704  C  CD1 A LEU D  2 17 ? -2.444 36.075 22.592  0.58 17.94 ?  17  LEU D CD1 1 
ATOM   705  C  CD1 B LEU D  2 17 ? -2.543 34.620 25.242  0.42 15.61 ?  17  LEU D CD1 1 
ATOM   706  C  CD2 A LEU D  2 17 ? -1.357 35.871 24.837  0.58 16.63 ?  17  LEU D CD2 1 
ATOM   707  C  CD2 B LEU D  2 17 ? -3.669 34.506 23.006  0.42 15.71 ?  17  LEU D CD2 1 
ATOM   708  N  N   . VAL D  2 18 ? 0.102  31.215 22.542  1.00 11.66 ?  18  VAL D N   1 
ATOM   709  C  CA  . VAL D  2 18 ? -0.122 29.798 22.267  1.00 15.26 ?  18  VAL D CA  1 
ATOM   710  C  C   . VAL D  2 18 ? 0.874  28.927 23.027  1.00 14.05 ?  18  VAL D C   1 
ATOM   711  O  O   . VAL D  2 18 ? 0.497  27.915 23.629  1.00 17.40 ?  18  VAL D O   1 
ATOM   712  C  CB  . VAL D  2 18 ? -0.063 29.536 20.751  1.00 16.22 ?  18  VAL D CB  1 
ATOM   713  C  CG1 . VAL D  2 18 ? -0.153 28.045 20.466  1.00 12.75 ?  18  VAL D CG1 1 
ATOM   714  C  CG2 . VAL D  2 18 ? -1.182 30.282 20.041  1.00 10.90 ?  18  VAL D CG2 1 
ATOM   715  N  N   . CYS D  2 19 ? 2.156  29.300 23.013  1.00 13.08 ?  19  CYS D N   1 
ATOM   716  C  CA  . CYS D  2 19 ? 3.174  28.439 23.611  1.00 14.51 ?  19  CYS D CA  1 
ATOM   717  C  C   . CYS D  2 19 ? 3.095  28.450 25.133  1.00 15.09 ?  19  CYS D C   1 
ATOM   718  O  O   . CYS D  2 19 ? 3.246  27.403 25.773  1.00 16.35 ?  19  CYS D O   1 
ATOM   719  C  CB  . CYS D  2 19 ? 4.563  28.863 23.141  1.00 15.20 ?  19  CYS D CB  1 
ATOM   720  S  SG  . CYS D  2 19 ? 4.750  28.868 21.348  1.00 15.06 ?  19  CYS D SG  1 
ATOM   721  N  N   . GLY D  2 20 ? 2.864  29.616 25.727  1.00 21.91 ?  20  GLY D N   1 
ATOM   722  C  CA  . GLY D  2 20 ? 2.726  29.684 27.174  1.00 21.85 ?  20  GLY D CA  1 
ATOM   723  C  C   . GLY D  2 20 ? 4.028  29.358 27.880  1.00 29.55 ?  20  GLY D C   1 
ATOM   724  O  O   . GLY D  2 20 ? 5.091  29.902 27.560  1.00 29.38 ?  20  GLY D O   1 
ATOM   725  N  N   . GLU D  2 21 ? 3.947  28.453 28.860  1.00 21.90 ?  21  GLU D N   1 
ATOM   726  C  CA  . GLU D  2 21 ? 5.101  28.127 29.690  1.00 31.02 ?  21  GLU D CA  1 
ATOM   727  C  C   . GLU D  2 21 ? 6.206  27.420 28.916  1.00 22.88 ?  21  GLU D C   1 
ATOM   728  O  O   . GLU D  2 21 ? 7.359  27.431 29.361  1.00 26.21 ?  21  GLU D O   1 
ATOM   729  C  CB  . GLU D  2 21 ? 4.665  27.265 30.876  0.98 29.35 ?  21  GLU D CB  1 
ATOM   730  C  CG  . GLU D  2 21 ? 3.633  27.929 31.774  0.43 26.75 ?  21  GLU D CG  1 
ATOM   731  C  CD  . GLU D  2 21 ? 3.159  27.021 32.892  0.23 29.99 ?  21  GLU D CD  1 
ATOM   732  O  OE1 . GLU D  2 21 ? 3.569  25.841 32.917  1.00 35.92 ?  21  GLU D OE1 1 
ATOM   733  O  OE2 . GLU D  2 21 ? 2.376  27.487 33.746  0.33 29.73 -1 21  GLU D OE2 1 
ATOM   734  N  N   . ARG D  2 22 ? 5.887  26.803 27.776  1.00 26.26 ?  22  ARG D N   1 
ATOM   735  C  CA  . ARG D  2 22 ? 6.914  26.117 26.999  1.00 25.06 ?  22  ARG D CA  1 
ATOM   736  C  C   . ARG D  2 22 ? 7.908  27.095 26.384  1.00 23.74 ?  22  ARG D C   1 
ATOM   737  O  O   . ARG D  2 22 ? 9.082  26.752 26.207  1.00 24.48 ?  22  ARG D O   1 
ATOM   738  C  CB  . ARG D  2 22 ? 6.270  25.263 25.908  1.00 23.76 ?  22  ARG D CB  1 
ATOM   739  C  CG  . ARG D  2 22 ? 5.631  23.983 26.419  1.00 29.32 ?  22  ARG D CG  1 
ATOM   740  C  CD  . ARG D  2 22 ? 5.034  23.171 25.281  1.00 27.78 ?  22  ARG D CD  1 
ATOM   741  N  NE  . ARG D  2 22 ? 3.906  23.854 24.658  1.00 27.66 ?  22  ARG D NE  1 
ATOM   742  C  CZ  . ARG D  2 22 ? 3.187  23.358 23.661  1.00 33.59 ?  22  ARG D CZ  1 
ATOM   743  N  NH1 . ARG D  2 22 ? 3.457  22.174 23.136  1.00 38.49 ?  22  ARG D NH1 1 
ATOM   744  N  NH2 . ARG D  2 22 ? 2.170  24.066 23.179  1.00 33.09 ?  22  ARG D NH2 1 
ATOM   745  N  N   . GLY D  2 23 ? 7.465  28.304 26.055  1.00 23.64 ?  23  GLY D N   1 
ATOM   746  C  CA  . GLY D  2 23 ? 8.323  29.262 25.391  1.00 20.44 ?  23  GLY D CA  1 
ATOM   747  C  C   . GLY D  2 23 ? 8.476  28.948 23.916  1.00 20.08 ?  23  GLY D C   1 
ATOM   748  O  O   . GLY D  2 23 ? 7.876  28.019 23.372  1.00 21.47 ?  23  GLY D O   1 
ATOM   749  N  N   . PHE D  2 24 ? 9.307  29.749 23.254  1.00 19.93 ?  24  PHE D N   1 
ATOM   750  C  CA  . PHE D  2 24 ? 9.528  29.571 21.827  1.00 21.51 ?  24  PHE D CA  1 
ATOM   751  C  C   . PHE D  2 24 ? 10.818 30.265 21.421  1.00 22.14 ?  24  PHE D C   1 
ATOM   752  O  O   . PHE D  2 24 ? 11.332 31.135 22.130  1.00 20.58 ?  24  PHE D O   1 
ATOM   753  C  CB  . PHE D  2 24 ? 8.351  30.111 21.005  1.00 21.74 ?  24  PHE D CB  1 
ATOM   754  C  CG  . PHE D  2 24 ? 8.131  31.591 21.157  1.00 20.32 ?  24  PHE D CG  1 
ATOM   755  C  CD1 . PHE D  2 24 ? 7.377  32.088 22.208  1.00 18.94 ?  24  PHE D CD1 1 
ATOM   756  C  CD2 . PHE D  2 24 ? 8.673  32.484 20.247  1.00 20.87 ?  24  PHE D CD2 1 
ATOM   757  C  CE1 . PHE D  2 24 ? 7.173  33.447 22.351  1.00 18.41 ?  24  PHE D CE1 1 
ATOM   758  C  CE2 . PHE D  2 24 ? 8.472  33.844 20.385  1.00 19.95 ?  24  PHE D CE2 1 
ATOM   759  C  CZ  . PHE D  2 24 ? 7.721  34.326 21.438  1.00 18.58 ?  24  PHE D CZ  1 
ATOM   760  N  N   . PHE D  2 25 ? 11.332 29.858 20.265  1.00 24.03 ?  25  PHE D N   1 
ATOM   761  C  CA  . PHE D  2 25 ? 12.425 30.536 19.587  1.00 25.16 ?  25  PHE D CA  1 
ATOM   762  C  C   . PHE D  2 25 ? 11.872 31.205 18.339  1.00 26.16 ?  25  PHE D C   1 
ATOM   763  O  O   . PHE D  2 25 ? 11.217 30.550 17.520  1.00 34.60 ?  25  PHE D O   1 
ATOM   764  C  CB  . PHE D  2 25 ? 13.536 29.557 19.199  1.00 27.96 ?  25  PHE D CB  1 
ATOM   765  C  CG  . PHE D  2 25 ? 14.485 29.230 20.315  1.00 32.95 ?  25  PHE D CG  1 
ATOM   766  C  CD1 . PHE D  2 25 ? 14.087 28.426 21.370  1.00 32.51 ?  25  PHE D CD1 1 
ATOM   767  C  CD2 . PHE D  2 25 ? 15.785 29.708 20.297  1.00 28.89 ?  25  PHE D CD2 1 
ATOM   768  C  CE1 . PHE D  2 25 ? 14.963 28.118 22.394  1.00 27.04 ?  25  PHE D CE1 1 
ATOM   769  C  CE2 . PHE D  2 25 ? 16.667 29.402 21.316  1.00 30.07 ?  25  PHE D CE2 1 
ATOM   770  C  CZ  . PHE D  2 25 ? 16.255 28.606 22.367  1.00 28.65 ?  25  PHE D CZ  1 
ATOM   771  N  N   . TYR D  2 26 ? 12.127 32.500 18.194  1.00 25.52 ?  26  TYR D N   1 
ATOM   772  C  CA  . TYR D  2 26 ? 11.736 33.234 16.999  1.00 26.97 ?  26  TYR D CA  1 
ATOM   773  C  C   . TYR D  2 26 ? 12.975 33.506 16.160  1.00 29.52 ?  26  TYR D C   1 
ATOM   774  O  O   . TYR D  2 26 ? 13.917 34.152 16.630  1.00 29.05 ?  26  TYR D O   1 
ATOM   775  C  CB  . TYR D  2 26 ? 11.031 34.545 17.340  1.00 25.13 ?  26  TYR D CB  1 
ATOM   776  C  CG  . TYR D  2 26 ? 10.664 35.315 16.094  1.00 27.12 ?  26  TYR D CG  1 
ATOM   777  C  CD1 . TYR D  2 26 ? 9.610  34.901 15.291  1.00 28.70 ?  26  TYR D CD1 1 
ATOM   778  C  CD2 . TYR D  2 26 ? 11.388 36.433 15.702  1.00 27.96 ?  26  TYR D CD2 1 
ATOM   779  C  CE1 . TYR D  2 26 ? 9.274  35.588 14.142  1.00 31.09 ?  26  TYR D CE1 1 
ATOM   780  C  CE2 . TYR D  2 26 ? 11.060 37.128 14.551  1.00 30.25 ?  26  TYR D CE2 1 
ATOM   781  C  CZ  . TYR D  2 26 ? 10.001 36.701 13.776  1.00 31.84 ?  26  TYR D CZ  1 
ATOM   782  O  OH  . TYR D  2 26 ? 9.665  37.384 12.630  1.00 39.24 ?  26  TYR D OH  1 
ATOM   783  N  N   . THR D  2 27 ? 12.966 33.021 14.920  1.00 36.38 ?  27  THR D N   1 
ATOM   784  C  CA  . THR D  2 27 ? 14.065 33.233 13.984  1.00 36.06 ?  27  THR D CA  1 
ATOM   785  C  C   . THR D  2 27 ? 13.480 33.754 12.680  1.00 39.37 ?  27  THR D C   1 
ATOM   786  O  O   . THR D  2 27 ? 12.713 33.028 12.014  1.00 40.42 ?  27  THR D O   1 
ATOM   787  C  CB  . THR D  2 27 ? 14.856 31.943 13.751  1.00 54.80 ?  27  THR D CB  1 
ATOM   788  O  OG1 . THR D  2 27 ? 13.978 30.926 13.253  1.00 54.05 ?  27  THR D OG1 1 
ATOM   789  C  CG2 . THR D  2 27 ? 15.497 31.465 15.048  1.00 37.98 ?  27  THR D CG2 1 
ATOM   790  N  N   . PRO D  2 28 ? 13.792 34.980 12.275  1.00 39.38 ?  28  PRO D N   1 
ATOM   791  C  CA  . PRO D  2 28 ? 13.271 35.505 11.010  1.00 42.31 ?  28  PRO D CA  1 
ATOM   792  C  C   . PRO D  2 28 ? 14.043 34.944 9.823   1.00 47.37 ?  28  PRO D C   1 
ATOM   793  O  O   . PRO D  2 28 ? 15.075 34.286 9.965   1.00 48.64 ?  28  PRO D O   1 
ATOM   794  C  CB  . PRO D  2 28 ? 13.468 37.023 11.135  1.00 41.43 ?  28  PRO D CB  1 
ATOM   795  C  CG  . PRO D  2 28 ? 14.105 37.257 12.495  1.00 37.98 ?  28  PRO D CG  1 
ATOM   796  C  CD  . PRO D  2 28 ? 14.666 35.951 12.949  1.00 37.88 ?  28  PRO D CD  1 
ATOM   797  N  N   . LYS D  2 29 ? 13.513 35.216 8.635   1.00 53.14 ?  29  LYS D N   1 
ATOM   798  C  CA  . LYS D  2 29 ? 14.126 34.752 7.395   1.00 59.02 ?  29  LYS D CA  1 
ATOM   799  C  C   . LYS D  2 29 ? 15.499 35.386 7.191   1.00 63.74 ?  29  LYS D C   1 
ATOM   800  O  O   . LYS D  2 29 ? 16.377 34.809 6.549   1.00 75.21 ?  29  LYS D O   1 
ATOM   801  C  CB  . LYS D  2 29 ? 13.216 35.058 6.202   0.62 60.72 ?  29  LYS D CB  1 
ATOM   802  C  CG  . LYS D  2 29 ? 12.935 36.540 5.987   0.94 68.30 ?  29  LYS D CG  1 
ATOM   803  C  CD  . LYS D  2 29 ? 13.823 37.128 4.899   0.80 70.16 ?  29  LYS D CD  1 
ATOM   804  C  CE  . LYS D  2 29 ? 13.708 38.642 4.848   0.68 71.60 ?  29  LYS D CE  1 
ATOM   805  N  NZ  . LYS D  2 29 ? 14.531 39.220 3.750   0.14 83.91 ?  29  LYS D NZ  1 
ATOM   806  O  OXT . LYS D  2 29 ? 15.762 36.492 7.665   1.00 68.82 -1 29  LYS D OXT 1 
ATOM   807  N  N   . GLY E  1 1  ? 17.291 36.018 -4.933  1.00 31.51 ?  1   GLY E N   1 
ATOM   808  C  CA  . GLY E  1 1  ? 16.534 36.043 -6.171  1.00 28.66 ?  1   GLY E CA  1 
ATOM   809  C  C   . GLY E  1 1  ? 15.970 37.412 -6.498  1.00 26.94 ?  1   GLY E C   1 
ATOM   810  O  O   . GLY E  1 1  ? 16.001 38.319 -5.666  1.00 26.68 ?  1   GLY E O   1 
ATOM   811  N  N   . ILE E  1 2  ? 15.452 37.559 -7.720  1.00 28.75 ?  2   ILE E N   1 
ATOM   812  C  CA  . ILE E  1 2  ? 14.905 38.845 -8.142  1.00 24.42 ?  2   ILE E CA  1 
ATOM   813  C  C   . ILE E  1 2  ? 13.664 39.201 -7.332  1.00 22.48 ?  2   ILE E C   1 
ATOM   814  O  O   . ILE E  1 2  ? 13.405 40.381 -7.068  1.00 22.22 ?  2   ILE E O   1 
ATOM   815  C  CB  . ILE E  1 2  ? 14.616 38.835 -9.657  1.00 23.94 ?  2   ILE E CB  1 
ATOM   816  C  CG1 . ILE E  1 2  ? 14.255 40.238 -10.147 1.00 20.22 ?  2   ILE E CG1 1 
ATOM   817  C  CG2 . ILE E  1 2  ? 13.505 37.851 -10.002 1.00 21.01 ?  2   ILE E CG2 1 
ATOM   818  C  CD1 . ILE E  1 2  ? 14.033 40.314 -11.638 1.00 21.31 ?  2   ILE E CD1 1 
ATOM   819  N  N   . VAL E  1 3  ? 12.880 38.200 -6.923  1.00 23.10 ?  3   VAL E N   1 
ATOM   820  C  CA  . VAL E  1 3  ? 11.655 38.480 -6.183  1.00 25.12 ?  3   VAL E CA  1 
ATOM   821  C  C   . VAL E  1 3  ? 11.968 38.988 -4.780  1.00 31.08 ?  3   VAL E C   1 
ATOM   822  O  O   . VAL E  1 3  ? 11.196 39.767 -4.209  1.00 32.90 ?  3   VAL E O   1 
ATOM   823  C  CB  . VAL E  1 3  ? 10.749 37.231 -6.158  1.00 31.90 ?  3   VAL E CB  1 
ATOM   824  C  CG1 . VAL E  1 3  ? 11.244 36.207 -5.141  1.00 43.99 ?  3   VAL E CG1 1 
ATOM   825  C  CG2 . VAL E  1 3  ? 9.306  37.621 -5.886  1.00 39.91 ?  3   VAL E CG2 1 
ATOM   826  N  N   . GLU E  1 4  ? 13.093 38.569 -4.200  1.00 29.22 ?  4   GLU E N   1 
ATOM   827  C  CA  . GLU E  1 4  ? 13.463 38.991 -2.856  1.00 28.70 ?  4   GLU E CA  1 
ATOM   828  C  C   . GLU E  1 4  ? 14.287 40.271 -2.831  1.00 29.07 ?  4   GLU E C   1 
ATOM   829  O  O   . GLU E  1 4  ? 14.488 40.837 -1.751  1.00 35.08 ?  4   GLU E O   1 
ATOM   830  C  CB  . GLU E  1 4  ? 14.240 37.876 -2.146  1.00 37.31 ?  4   GLU E CB  1 
ATOM   831  C  CG  . GLU E  1 4  ? 13.451 36.591 -1.960  1.00 48.60 ?  4   GLU E CG  1 
ATOM   832  C  CD  . GLU E  1 4  ? 14.010 35.439 -2.769  1.00 38.54 ?  4   GLU E CD  1 
ATOM   833  O  OE1 . GLU E  1 4  ? 15.139 35.569 -3.286  1.00 43.23 ?  4   GLU E OE1 1 
ATOM   834  O  OE2 . GLU E  1 4  ? 13.321 34.404 -2.887  1.00 54.51 -1 4   GLU E OE2 1 
ATOM   835  N  N   . GLN E  1 5  ? 14.759 40.745 -3.983  1.00 27.10 ?  5   GLN E N   1 
ATOM   836  C  CA  . GLN E  1 5  ? 15.582 41.945 -4.048  1.00 27.79 ?  5   GLN E CA  1 
ATOM   837  C  C   . GLN E  1 5  ? 14.890 43.127 -4.705  1.00 26.69 ?  5   GLN E C   1 
ATOM   838  O  O   . GLN E  1 5  ? 15.142 44.268 -4.311  1.00 28.22 ?  5   GLN E O   1 
ATOM   839  C  CB  . GLN E  1 5  ? 16.885 41.657 -4.805  1.00 29.52 ?  5   GLN E CB  1 
ATOM   840  C  CG  . GLN E  1 5  ? 17.762 40.602 -4.153  1.00 40.89 ?  5   GLN E CG  1 
ATOM   841  C  CD  . GLN E  1 5  ? 18.991 40.276 -4.978  1.00 49.93 ?  5   GLN E CD  1 
ATOM   842  O  OE1 . GLN E  1 5  ? 19.263 40.922 -5.990  1.00 46.61 ?  5   GLN E OE1 1 
ATOM   843  N  NE2 . GLN E  1 5  ? 19.740 39.265 -4.551  1.00 52.36 ?  5   GLN E NE2 1 
ATOM   844  N  N   . CYS E  1 6  ? 14.029 42.887 -5.692  1.00 27.60 ?  6   CYS E N   1 
ATOM   845  C  CA  . CYS E  1 6  ? 13.372 43.957 -6.427  1.00 25.46 ?  6   CYS E CA  1 
ATOM   846  C  C   . CYS E  1 6  ? 11.897 44.104 -6.088  1.00 24.04 ?  6   CYS E C   1 
ATOM   847  O  O   . CYS E  1 6  ? 11.228 44.971 -6.658  1.00 25.75 ?  6   CYS E O   1 
ATOM   848  C  CB  . CYS E  1 6  ? 13.543 43.737 -7.933  1.00 22.12 ?  6   CYS E CB  1 
ATOM   849  S  SG  . CYS E  1 6  ? 15.266 43.830 -8.451  1.00 23.14 ?  6   CYS E SG  1 
ATOM   850  N  N   . CYS E  1 7  ? 11.370 43.284 -5.180  1.00 21.08 ?  7   CYS E N   1 
ATOM   851  C  CA  . CYS E  1 7  ? 10.005 43.442 -4.706  1.00 19.06 ?  7   CYS E CA  1 
ATOM   852  C  C   . CYS E  1 7  ? 9.925  43.928 -3.267  1.00 24.62 ?  7   CYS E C   1 
ATOM   853  O  O   . CYS E  1 7  ? 8.849  44.358 -2.837  1.00 26.48 ?  7   CYS E O   1 
ATOM   854  C  CB  . CYS E  1 7  ? 9.233  42.124 -4.850  1.00 22.85 ?  7   CYS E CB  1 
ATOM   855  S  SG  . CYS E  1 7  ? 8.819  41.697 -6.556  1.00 17.60 ?  7   CYS E SG  1 
ATOM   856  N  N   . THR E  1 8  ? 11.023 43.868 -2.515  1.00 27.33 ?  8   THR E N   1 
ATOM   857  C  CA  . THR E  1 8  ? 11.093 44.516 -1.212  1.00 30.24 ?  8   THR E CA  1 
ATOM   858  C  C   . THR E  1 8  ? 11.594 45.949 -1.313  1.00 23.74 ?  8   THR E C   1 
ATOM   859  O  O   . THR E  1 8  ? 11.234 46.786 -0.477  1.00 22.39 ?  8   THR E O   1 
ATOM   860  C  CB  . THR E  1 8  ? 12.006 43.725 -0.271  1.00 22.08 ?  8   THR E CB  1 
ATOM   861  O  OG1 . THR E  1 8  ? 13.359 43.807 -0.735  1.00 31.46 ?  8   THR E OG1 1 
ATOM   862  C  CG2 . THR E  1 8  ? 11.584 42.265 -0.225  1.00 29.36 ?  8   THR E CG2 1 
ATOM   863  N  N   . SER E  1 9  ? 12.414 46.244 -2.319  1.00 28.80 ?  9   SER E N   1 
ATOM   864  C  CA  . SER E  1 9  ? 12.915 47.586 -2.566  1.00 29.39 ?  9   SER E CA  1 
ATOM   865  C  C   . SER E  1 9  ? 12.890 47.849 -4.065  1.00 29.88 ?  9   SER E C   1 
ATOM   866  O  O   . SER E  1 9  ? 12.884 46.922 -4.878  1.00 25.75 ?  9   SER E O   1 
ATOM   867  C  CB  . SER E  1 9  ? 14.334 47.774 -2.013  1.00 34.94 ?  9   SER E CB  1 
ATOM   868  O  OG  . SER E  1 9  ? 15.246 46.885 -2.635  1.00 41.73 ?  9   SER E OG  1 
ATOM   869  N  N   . ILE E  1 10 ? 12.867 49.132 -4.424  1.00 34.63 ?  10  ILE E N   1 
ATOM   870  C  CA  . ILE E  1 10 ? 12.825 49.514 -5.829  1.00 27.90 ?  10  ILE E CA  1 
ATOM   871  C  C   . ILE E  1 10 ? 14.193 49.283 -6.456  1.00 31.12 ?  10  ILE E C   1 
ATOM   872  O  O   . ILE E  1 10 ? 15.220 49.729 -5.929  1.00 47.46 ?  10  ILE E O   1 
ATOM   873  C  CB  . ILE E  1 10 ? 12.384 50.977 -5.976  1.00 38.16 ?  10  ILE E CB  1 
ATOM   874  C  CG1 . ILE E  1 10 ? 11.070 51.214 -5.230  1.00 36.43 ?  10  ILE E CG1 1 
ATOM   875  C  CG2 . ILE E  1 10 ? 12.237 51.344 -7.445  1.00 34.10 ?  10  ILE E CG2 1 
ATOM   876  C  CD1 . ILE E  1 10 ? 10.605 52.654 -5.253  1.00 47.81 ?  10  ILE E CD1 1 
ATOM   877  N  N   . CYS E  1 11 ? 14.213 48.583 -7.587  1.00 29.54 ?  11  CYS E N   1 
ATOM   878  C  CA  . CYS E  1 11 ? 15.447 48.265 -8.293  1.00 33.60 ?  11  CYS E CA  1 
ATOM   879  C  C   . CYS E  1 11 ? 15.658 49.244 -9.438  1.00 32.71 ?  11  CYS E C   1 
ATOM   880  O  O   . CYS E  1 11 ? 14.733 49.511 -10.214 1.00 31.67 ?  11  CYS E O   1 
ATOM   881  C  CB  . CYS E  1 11 ? 15.420 46.832 -8.828  1.00 30.40 ?  11  CYS E CB  1 
ATOM   882  S  SG  . CYS E  1 11 ? 15.905 45.572 -7.628  1.00 30.01 ?  11  CYS E SG  1 
ATOM   883  N  N   . SER E  1 12 ? 16.872 49.775 -9.538  1.00 35.06 ?  12  SER E N   1 
ATOM   884  C  CA  . SER E  1 12 ? 17.231 50.641 -10.648 1.00 36.59 ?  12  SER E CA  1 
ATOM   885  C  C   . SER E  1 12 ? 17.340 49.831 -11.937 1.00 36.44 ?  12  SER E C   1 
ATOM   886  O  O   . SER E  1 12 ? 17.426 48.600 -11.923 1.00 35.60 ?  12  SER E O   1 
ATOM   887  C  CB  . SER E  1 12 ? 18.551 51.356 -10.360 1.00 39.22 ?  12  SER E CB  1 
ATOM   888  O  OG  . SER E  1 12 ? 18.994 52.089 -11.487 1.00 44.30 ?  12  SER E OG  1 
ATOM   889  N  N   . LEU E  1 13 ? 17.336 50.545 -13.068 1.00 38.48 ?  13  LEU E N   1 
ATOM   890  C  CA  . LEU E  1 13 ? 17.436 49.876 -14.361 1.00 32.45 ?  13  LEU E CA  1 
ATOM   891  C  C   . LEU E  1 13 ? 18.718 49.060 -14.475 1.00 25.00 ?  13  LEU E C   1 
ATOM   892  O  O   . LEU E  1 13 ? 18.732 48.018 -15.140 1.00 23.65 ?  13  LEU E O   1 
ATOM   893  C  CB  . LEU E  1 13 ? 17.353 50.895 -15.501 1.00 29.67 ?  13  LEU E CB  1 
ATOM   894  C  CG  . LEU E  1 13 ? 15.971 51.442 -15.883 1.00 36.52 ?  13  LEU E CG  1 
ATOM   895  C  CD1 . LEU E  1 13 ? 14.907 50.358 -15.778 1.00 30.82 ?  13  LEU E CD1 1 
ATOM   896  C  CD2 . LEU E  1 13 ? 15.587 52.662 -15.058 1.00 36.44 ?  13  LEU E CD2 1 
ATOM   897  N  N   . TYR E  1 14 ? 19.801 49.511 -13.836 1.00 26.34 ?  14  TYR E N   1 
ATOM   898  C  CA  . TYR E  1 14 ? 21.026 48.719 -13.823 1.00 23.38 ?  14  TYR E CA  1 
ATOM   899  C  C   . TYR E  1 14 ? 20.880 47.470 -12.963 1.00 21.22 ?  14  TYR E C   1 
ATOM   900  O  O   . TYR E  1 14 ? 21.460 46.427 -13.286 1.00 20.63 ?  14  TYR E O   1 
ATOM   901  C  CB  . TYR E  1 14 ? 22.201 49.566 -13.334 1.00 28.43 ?  14  TYR E CB  1 
ATOM   902  C  CG  . TYR E  1 14 ? 23.497 48.795 -13.217 0.74 26.16 ?  14  TYR E CG  1 
ATOM   903  C  CD1 . TYR E  1 14 ? 24.215 48.430 -14.348 0.52 29.16 ?  14  TYR E CD1 1 
ATOM   904  C  CD2 . TYR E  1 14 ? 24.002 48.431 -11.975 0.25 26.47 ?  14  TYR E CD2 1 
ATOM   905  C  CE1 . TYR E  1 14 ? 25.399 47.723 -14.246 0.25 29.70 ?  14  TYR E CE1 1 
ATOM   906  C  CE2 . TYR E  1 14 ? 25.185 47.725 -11.863 0.31 29.96 ?  14  TYR E CE2 1 
ATOM   907  C  CZ  . TYR E  1 14 ? 25.879 47.374 -13.001 0.43 27.64 ?  14  TYR E CZ  1 
ATOM   908  O  OH  . TYR E  1 14 ? 27.057 46.672 -12.894 0.62 30.38 ?  14  TYR E OH  1 
ATOM   909  N  N   . GLN E  1 15 ? 20.123 47.553 -11.865 1.00 22.20 ?  15  GLN E N   1 
ATOM   910  C  CA  . GLN E  1 15 ? 19.903 46.374 -11.034 1.00 24.68 ?  15  GLN E CA  1 
ATOM   911  C  C   . GLN E  1 15 ? 19.109 45.310 -11.782 1.00 18.11 ?  15  GLN E C   1 
ATOM   912  O  O   . GLN E  1 15 ? 19.352 44.110 -11.606 1.00 17.46 ?  15  GLN E O   1 
ATOM   913  C  CB  . GLN E  1 15 ? 19.195 46.760 -9.736  1.00 23.32 ?  15  GLN E CB  1 
ATOM   914  C  CG  . GLN E  1 15 ? 20.045 47.590 -8.788  1.00 34.42 ?  15  GLN E CG  1 
ATOM   915  C  CD  . GLN E  1 15 ? 19.783 47.258 -7.332  1.00 40.02 ?  15  GLN E CD  1 
ATOM   916  O  OE1 . GLN E  1 15 ? 19.692 46.088 -6.957  1.00 37.63 ?  15  GLN E OE1 1 
ATOM   917  N  NE2 . GLN E  1 15 ? 19.658 48.287 -6.503  1.00 31.73 ?  15  GLN E NE2 1 
ATOM   918  N  N   . LEU E  1 16 ? 18.151 45.727 -12.615 1.00 20.16 ?  16  LEU E N   1 
ATOM   919  C  CA  . LEU E  1 16 ? 17.415 44.763 -13.427 1.00 20.62 ?  16  LEU E CA  1 
ATOM   920  C  C   . LEU E  1 16 ? 18.320 44.072 -14.439 1.00 19.12 ?  16  LEU E C   1 
ATOM   921  O  O   . LEU E  1 16 ? 18.043 42.937 -14.843 1.00 18.61 ?  16  LEU E O   1 
ATOM   922  C  CB  . LEU E  1 16 ? 16.248 45.446 -14.145 1.00 20.44 ?  16  LEU E CB  1 
ATOM   923  C  CG  . LEU E  1 16 ? 14.947 45.680 -13.368 1.00 20.61 ?  16  LEU E CG  1 
ATOM   924  C  CD1 . LEU E  1 16 ? 14.828 44.725 -12.189 1.00 20.00 ?  16  LEU E CD1 1 
ATOM   925  C  CD2 . LEU E  1 16 ? 14.811 47.127 -12.917 1.00 25.92 ?  16  LEU E CD2 1 
ATOM   926  N  N   . GLU E  1 17 ? 19.405 44.733 -14.856 1.00 20.33 ?  17  GLU E N   1 
ATOM   927  C  CA  . GLU E  1 17 ? 20.309 44.139 -15.836 1.00 20.73 ?  17  GLU E CA  1 
ATOM   928  C  C   . GLU E  1 17 ? 21.004 42.892 -15.307 1.00 19.52 ?  17  GLU E C   1 
ATOM   929  O  O   . GLU E  1 17 ? 21.488 42.083 -16.106 1.00 20.02 ?  17  GLU E O   1 
ATOM   930  C  CB  . GLU E  1 17 ? 21.362 45.155 -16.281 1.00 22.38 ?  17  GLU E CB  1 
ATOM   931  C  CG  . GLU E  1 17 ? 20.809 46.336 -17.055 1.00 26.71 ?  17  GLU E CG  1 
ATOM   932  C  CD  . GLU E  1 17 ? 21.857 46.998 -17.927 1.00 33.65 ?  17  GLU E CD  1 
ATOM   933  O  OE1 . GLU E  1 17 ? 22.868 46.337 -18.245 1.00 36.17 ?  17  GLU E OE1 1 
ATOM   934  O  OE2 . GLU E  1 17 ? 21.669 48.177 -18.294 1.00 47.63 -1 17  GLU E OE2 1 
ATOM   935  N  N   . ASN E  1 18 ? 21.071 42.719 -13.985 1.00 18.25 ?  18  ASN E N   1 
ATOM   936  C  CA  . ASN E  1 18 ? 21.692 41.524 -13.425 1.00 18.04 ?  18  ASN E CA  1 
ATOM   937  C  C   . ASN E  1 18 ? 20.935 40.255 -13.792 1.00 16.83 ?  18  ASN E C   1 
ATOM   938  O  O   . ASN E  1 18 ? 21.506 39.162 -13.713 1.00 16.89 ?  18  ASN E O   1 
ATOM   939  C  CB  . ASN E  1 18 ? 21.793 41.643 -11.904 1.00 16.44 ?  18  ASN E CB  1 
ATOM   940  C  CG  . ASN E  1 18 ? 22.807 42.681 -11.466 1.00 19.67 ?  18  ASN E CG  1 
ATOM   941  O  OD1 . ASN E  1 18 ? 23.775 42.957 -12.175 1.00 19.27 ?  18  ASN E OD1 1 
ATOM   942  N  ND2 . ASN E  1 18 ? 22.593 43.259 -10.289 1.00 17.37 ?  18  ASN E ND2 1 
ATOM   943  N  N   . TYR E  1 19 ? 19.670 40.373 -14.192 1.00 17.18 ?  19  TYR E N   1 
ATOM   944  C  CA  . TYR E  1 19 ? 18.844 39.222 -14.527 1.00 16.44 ?  19  TYR E CA  1 
ATOM   945  C  C   . TYR E  1 19 ? 18.638 39.064 -16.028 1.00 17.62 ?  19  TYR E C   1 
ATOM   946  O  O   . TYR E  1 19 ? 17.771 38.290 -16.448 1.00 19.74 ?  19  TYR E O   1 
ATOM   947  C  CB  . TYR E  1 19 ? 17.503 39.319 -13.798 1.00 15.85 ?  19  TYR E CB  1 
ATOM   948  C  CG  . TYR E  1 19 ? 17.679 39.479 -12.306 1.00 14.97 ?  19  TYR E CG  1 
ATOM   949  C  CD1 . TYR E  1 19 ? 17.927 38.379 -11.496 1.00 15.69 ?  19  TYR E CD1 1 
ATOM   950  C  CD2 . TYR E  1 19 ? 17.625 40.732 -11.711 1.00 15.15 ?  19  TYR E CD2 1 
ATOM   951  C  CE1 . TYR E  1 19 ? 18.102 38.520 -10.132 1.00 21.90 ?  19  TYR E CE1 1 
ATOM   952  C  CE2 . TYR E  1 19 ? 17.798 40.884 -10.348 1.00 19.68 ?  19  TYR E CE2 1 
ATOM   953  C  CZ  . TYR E  1 19 ? 18.036 39.774 -9.564  1.00 24.31 ?  19  TYR E CZ  1 
ATOM   954  O  OH  . TYR E  1 19 ? 18.208 39.919 -8.206  1.00 25.66 ?  19  TYR E OH  1 
ATOM   955  N  N   . CYS E  1 20 ? 19.408 39.778 -16.842 1.00 18.84 ?  20  CYS E N   1 
ATOM   956  C  CA  . CYS E  1 20 ? 19.409 39.550 -18.277 1.00 20.28 ?  20  CYS E CA  1 
ATOM   957  C  C   . CYS E  1 20 ? 20.289 38.350 -18.617 1.00 22.18 ?  20  CYS E C   1 
ATOM   958  O  O   . CYS E  1 20 ? 21.154 37.940 -17.839 1.00 20.76 ?  20  CYS E O   1 
ATOM   959  C  CB  . CYS E  1 20 ? 19.901 40.791 -19.023 1.00 21.94 ?  20  CYS E CB  1 
ATOM   960  S  SG  . CYS E  1 20 ? 18.930 42.283 -18.719 1.00 22.27 ?  20  CYS E SG  1 
ATOM   961  N  N   . ASN E  1 21 ? 20.055 37.783 -19.796 1.00 22.69 ?  21  ASN E N   1 
ATOM   962  C  CA  . ASN E  1 21 ? 20.850 36.651 -20.258 1.00 22.38 ?  21  ASN E CA  1 
ATOM   963  C  C   . ASN E  1 21 ? 22.197 37.121 -20.796 1.00 25.11 ?  21  ASN E C   1 
ATOM   964  O  O   . ASN E  1 21 ? 23.127 36.330 -20.952 1.00 40.46 ?  21  ASN E O   1 
ATOM   965  C  CB  . ASN E  1 21 ? 20.101 35.861 -21.333 1.00 23.26 ?  21  ASN E CB  1 
ATOM   966  C  CG  . ASN E  1 21 ? 18.848 35.193 -20.801 1.00 22.30 ?  21  ASN E CG  1 
ATOM   967  O  OD1 . ASN E  1 21 ? 18.712 34.970 -19.598 1.00 25.51 ?  21  ASN E OD1 1 
ATOM   968  N  ND2 . ASN E  1 21 ? 17.926 34.865 -21.699 1.00 23.09 ?  21  ASN E ND2 1 
ATOM   969  O  OXT . ASN E  1 21 ? 22.387 38.303 -21.086 1.00 24.92 -1 21  ASN E OXT 1 
ATOM   970  N  N   . PHE F  2 1  ? 1.306  34.409 -1.701  1.00 39.18 ?  1   PHE F N   1 
ATOM   971  C  CA  . PHE F  2 1  ? 0.868  35.792 -1.562  1.00 41.36 ?  1   PHE F CA  1 
ATOM   972  C  C   . PHE F  2 1  ? 0.576  36.388 -2.937  1.00 31.57 ?  1   PHE F C   1 
ATOM   973  O  O   . PHE F  2 1  ? 1.426  36.364 -3.828  1.00 28.15 ?  1   PHE F O   1 
ATOM   974  C  CB  . PHE F  2 1  ? 1.928  36.621 -0.827  1.00 45.71 ?  1   PHE F CB  1 
ATOM   975  C  CG  . PHE F  2 1  ? 1.369  37.791 -0.057  1.00 36.01 ?  1   PHE F CG  1 
ATOM   976  C  CD1 . PHE F  2 1  ? 0.197  38.413 -0.453  1.00 45.88 ?  1   PHE F CD1 1 
ATOM   977  C  CD2 . PHE F  2 1  ? 2.020  38.265 1.069   1.00 56.19 ?  1   PHE F CD2 1 
ATOM   978  C  CE1 . PHE F  2 1  ? -0.311 39.486 0.254   1.00 52.02 ?  1   PHE F CE1 1 
ATOM   979  C  CE2 . PHE F  2 1  ? 1.518  39.337 1.782   1.00 60.92 ?  1   PHE F CE2 1 
ATOM   980  C  CZ  . PHE F  2 1  ? 0.350  39.948 1.374   1.00 60.62 ?  1   PHE F CZ  1 
ATOM   981  N  N   . VAL F  2 2  ? -0.638 36.919 -3.099  1.00 32.45 ?  2   VAL F N   1 
ATOM   982  C  CA  . VAL F  2 2  ? -1.023 37.528 -4.370  1.00 37.24 ?  2   VAL F CA  1 
ATOM   983  C  C   . VAL F  2 2  ? -0.174 38.761 -4.646  1.00 24.87 ?  2   VAL F C   1 
ATOM   984  O  O   . VAL F  2 2  ? 0.177  39.047 -5.798  1.00 23.31 ?  2   VAL F O   1 
ATOM   985  C  CB  . VAL F  2 2  ? -2.526 37.862 -4.367  1.00 28.17 ?  2   VAL F CB  1 
ATOM   986  C  CG1 . VAL F  2 2  ? -2.942 38.471 -5.698  1.00 28.41 ?  2   VAL F CG1 1 
ATOM   987  C  CG2 . VAL F  2 2  ? -3.335 36.614 -4.072  1.00 29.45 ?  2   VAL F CG2 1 
ATOM   988  N  N   . ASN F  2 3  ? 0.170  39.511 -3.596  1.00 25.21 ?  3   ASN F N   1 
ATOM   989  C  CA  . ASN F  2 3  ? 1.024  40.682 -3.768  1.00 23.77 ?  3   ASN F CA  1 
ATOM   990  C  C   . ASN F  2 3  ? 2.368  40.293 -4.373  1.00 29.93 ?  3   ASN F C   1 
ATOM   991  O  O   . ASN F  2 3  ? 2.945  41.049 -5.165  1.00 21.50 ?  3   ASN F O   1 
ATOM   992  C  CB  . ASN F  2 3  ? 1.218  41.388 -2.426  1.00 28.41 ?  3   ASN F CB  1 
ATOM   993  C  CG  . ASN F  2 3  ? 1.507  42.867 -2.579  1.00 45.00 ?  3   ASN F CG  1 
ATOM   994  O  OD1 . ASN F  2 3  ? 1.992  43.314 -3.618  1.00 45.59 ?  3   ASN F OD1 1 
ATOM   995  N  ND2 . ASN F  2 3  ? 1.209  43.638 -1.538  1.00 43.43 ?  3   ASN F ND2 1 
ATOM   996  N  N   . GLN F  2 4  ? 2.880  39.114 -4.013  1.00 30.51 ?  4   GLN F N   1 
ATOM   997  C  CA  . GLN F  2 4  ? 4.098  38.610 -4.640  1.00 26.10 ?  4   GLN F CA  1 
ATOM   998  C  C   . GLN F  2 4  ? 3.895  38.378 -6.131  1.00 26.86 ?  4   GLN F C   1 
ATOM   999  O  O   . GLN F  2 4  ? 4.763  38.717 -6.944  1.00 25.86 ?  4   GLN F O   1 
ATOM   1000 C  CB  . GLN F  2 4  ? 4.543  37.318 -3.956  1.00 40.27 ?  4   GLN F CB  1 
ATOM   1001 C  CG  . GLN F  2 4  ? 5.702  36.622 -4.647  1.00 38.57 ?  4   GLN F CG  1 
ATOM   1002 C  CD  . GLN F  2 4  ? 5.689  35.122 -4.433  1.00 54.60 ?  4   GLN F CD  1 
ATOM   1003 O  OE1 . GLN F  2 4  ? 4.755  34.575 -3.845  1.00 49.00 ?  4   GLN F OE1 1 
ATOM   1004 N  NE2 . GLN F  2 4  ? 6.724  34.446 -4.917  1.00 64.26 ?  4   GLN F NE2 1 
ATOM   1005 N  N   . HIS F  2 5  ? 2.754  37.796 -6.507  1.00 29.53 ?  5   HIS F N   1 
ATOM   1006 C  CA  . HIS F  2 5  ? 2.488  37.526 -7.915  1.00 23.13 ?  5   HIS F CA  1 
ATOM   1007 C  C   . HIS F  2 5  ? 2.331  38.817 -8.708  1.00 20.49 ?  5   HIS F C   1 
ATOM   1008 O  O   . HIS F  2 5  ? 2.766  38.898 -9.863  1.00 19.58 ?  5   HIS F O   1 
ATOM   1009 C  CB  . HIS F  2 5  ? 1.242  36.652 -8.053  1.00 26.51 ?  5   HIS F CB  1 
ATOM   1010 C  CG  . HIS F  2 5  ? 0.925  36.273 -9.466  1.00 30.21 ?  5   HIS F CG  1 
ATOM   1011 N  ND1 . HIS F  2 5  ? 0.146  37.057 -10.290 1.00 28.10 ?  5   HIS F ND1 1 
ATOM   1012 C  CD2 . HIS F  2 5  ? 1.282  35.194 -10.201 1.00 25.71 ?  5   HIS F CD2 1 
ATOM   1013 C  CE1 . HIS F  2 5  ? 0.037  36.476 -11.472 1.00 28.68 ?  5   HIS F CE1 1 
ATOM   1014 N  NE2 . HIS F  2 5  ? 0.717  35.344 -11.444 1.00 32.90 ?  5   HIS F NE2 1 
ATOM   1015 N  N   . LEU F  2 6  ? 1.704  39.834 -8.110  1.00 24.26 ?  6   LEU F N   1 
ATOM   1016 C  CA  . LEU F  2 6  ? 1.535  41.108 -8.802  1.00 18.68 ?  6   LEU F CA  1 
ATOM   1017 C  C   . LEU F  2 6  ? 2.879  41.774 -9.076  1.00 19.73 ?  6   LEU F C   1 
ATOM   1018 O  O   . LEU F  2 6  ? 3.098  42.321 -10.163 1.00 17.17 ?  6   LEU F O   1 
ATOM   1019 C  CB  . LEU F  2 6  ? 0.638  42.037 -7.984  1.00 18.98 ?  6   LEU F CB  1 
ATOM   1020 C  CG  . LEU F  2 6  ? -0.772 41.539 -7.663  1.00 20.21 ?  6   LEU F CG  1 
ATOM   1021 C  CD1 . LEU F  2 6  ? -1.576 42.629 -6.971  1.00 20.53 ?  6   LEU F CD1 1 
ATOM   1022 C  CD2 . LEU F  2 6  ? -1.478 41.059 -8.920  1.00 20.20 ?  6   LEU F CD2 1 
ATOM   1023 N  N   . CYS F  2 7  ? 3.788  41.743 -8.099  1.00 19.15 ?  7   CYS F N   1 
ATOM   1024 C  CA  . CYS F  2 7  ? 5.097  42.358 -8.292  1.00 20.53 ?  7   CYS F CA  1 
ATOM   1025 C  C   . CYS F  2 7  ? 5.891  41.640 -9.377  1.00 17.19 ?  7   CYS F C   1 
ATOM   1026 O  O   . CYS F  2 7  ? 6.591  42.283 -10.168 1.00 18.86 ?  7   CYS F O   1 
ATOM   1027 C  CB  . CYS F  2 7  ? 5.874  42.375 -6.976  1.00 20.90 ?  7   CYS F CB  1 
ATOM   1028 S  SG  . CYS F  2 7  ? 7.503  43.144 -7.103  1.00 18.50 ?  7   CYS F SG  1 
ATOM   1029 N  N   . GLY F  2 8  ? 5.793  40.310 -9.431  1.00 19.12 ?  8   GLY F N   1 
ATOM   1030 C  CA  . GLY F  2 8  ? 6.525  39.564 -10.443 1.00 18.01 ?  8   GLY F CA  1 
ATOM   1031 C  C   . GLY F  2 8  ? 6.094  39.908 -11.856 1.00 17.36 ?  8   GLY F C   1 
ATOM   1032 O  O   . GLY F  2 8  ? 6.922  39.971 -12.768 1.00 17.58 ?  8   GLY F O   1 
ATOM   1033 N  N   . SER F  2 9  ? 4.793  40.135 -12.057 1.00 16.90 ?  9   SER F N   1 
ATOM   1034 C  CA  . SER F  2 9  ? 4.303  40.503 -13.382 1.00 16.35 ?  9   SER F CA  1 
ATOM   1035 C  C   . SER F  2 9  ? 4.877  41.836 -13.842 1.00 15.15 ?  9   SER F C   1 
ATOM   1036 O  O   . SER F  2 9  ? 5.110  42.031 -15.040 1.00 14.80 ?  9   SER F O   1 
ATOM   1037 C  CB  . SER F  2 9  ? 2.775  40.554 -13.383 1.00 16.86 ?  9   SER F CB  1 
ATOM   1038 O  OG  . SER F  2 9  ? 2.301  41.480 -12.422 1.00 34.25 ?  9   SER F OG  1 
ATOM   1039 N  N   . HIS F  2 10 ? 5.089  42.771 -12.917 1.00 14.67 ?  10  HIS F N   1 
ATOM   1040 C  CA  . HIS F  2 10 ? 5.747  44.020 -13.276 1.00 13.83 ?  10  HIS F CA  1 
ATOM   1041 C  C   . HIS F  2 10 ? 7.254  43.850 -13.425 1.00 16.91 ?  10  HIS F C   1 
ATOM   1042 O  O   . HIS F  2 10 ? 7.891  44.627 -14.145 1.00 16.57 ?  10  HIS F O   1 
ATOM   1043 C  CB  . HIS F  2 10 ? 5.430  45.098 -12.241 1.00 14.71 ?  10  HIS F CB  1 
ATOM   1044 C  CG  . HIS F  2 10 ? 4.022  45.600 -12.311 1.00 16.28 ?  10  HIS F CG  1 
ATOM   1045 N  ND1 . HIS F  2 10 ? 3.614  46.539 -13.233 1.00 23.16 ?  10  HIS F ND1 1 
ATOM   1046 C  CD2 . HIS F  2 10 ? 2.925  45.286 -11.582 1.00 15.22 ?  10  HIS F CD2 1 
ATOM   1047 C  CE1 . HIS F  2 10 ? 2.327  46.785 -13.066 1.00 20.12 ?  10  HIS F CE1 1 
ATOM   1048 N  NE2 . HIS F  2 10 ? 1.886  46.039 -12.070 1.00 18.42 ?  10  HIS F NE2 1 
ATOM   1049 N  N   . LEU F  2 11 ? 7.841  42.859 -12.751 1.00 14.35 ?  11  LEU F N   1 
ATOM   1050 C  CA  . LEU F  2 11 ? 9.265  42.596 -12.935 1.00 15.02 ?  11  LEU F CA  1 
ATOM   1051 C  C   . LEU F  2 11 ? 9.554  42.062 -14.332 1.00 14.44 ?  11  LEU F C   1 
ATOM   1052 O  O   . LEU F  2 11 ? 10.521 42.487 -14.975 1.00 14.14 ?  11  LEU F O   1 
ATOM   1053 C  CB  . LEU F  2 11 ? 9.765  41.616 -11.874 1.00 22.17 ?  11  LEU F CB  1 
ATOM   1054 C  CG  . LEU F  2 11 ? 10.561 42.225 -10.718 1.00 21.65 ?  11  LEU F CG  1 
ATOM   1055 C  CD1 . LEU F  2 11 ? 11.726 43.041 -11.248 1.00 30.56 ?  11  LEU F CD1 1 
ATOM   1056 C  CD2 . LEU F  2 11 ? 9.673  43.081 -9.845  1.00 25.93 ?  11  LEU F CD2 1 
ATOM   1057 N  N   . VAL F  2 12 ? 8.725  41.137 -14.822 1.00 14.97 ?  12  VAL F N   1 
ATOM   1058 C  CA  . VAL F  2 12 ? 8.997  40.508 -16.112 1.00 15.39 ?  12  VAL F CA  1 
ATOM   1059 C  C   . VAL F  2 12 ? 8.855  41.517 -17.247 1.00 14.62 ?  12  VAL F C   1 
ATOM   1060 O  O   . VAL F  2 12 ? 9.631  41.497 -18.211 1.00 14.77 ?  12  VAL F O   1 
ATOM   1061 C  CB  . VAL F  2 12 ? 8.094  39.272 -16.308 1.00 16.61 ?  12  VAL F CB  1 
ATOM   1062 C  CG1 A VAL F  2 12 ? 8.376  38.236 -15.230 0.74 17.77 ?  12  VAL F CG1 1 
ATOM   1063 C  CG1 B VAL F  2 12 ? 8.264  38.693 -17.698 0.26 17.38 ?  12  VAL F CG1 1 
ATOM   1064 C  CG2 A VAL F  2 12 ? 6.625  39.651 -16.316 0.74 16.42 ?  12  VAL F CG2 1 
ATOM   1065 C  CG2 B VAL F  2 12 ? 8.396  38.223 -15.249 0.26 17.79 ?  12  VAL F CG2 1 
ATOM   1066 N  N   . GLU F  2 13 ? 7.881  42.426 -17.150 1.00 14.07 ?  13  GLU F N   1 
ATOM   1067 C  CA  . GLU F  2 13 ? 7.749  43.456 -18.176 1.00 13.72 ?  13  GLU F CA  1 
ATOM   1068 C  C   . GLU F  2 13 ? 8.910  44.442 -18.126 1.00 13.11 ?  13  GLU F C   1 
ATOM   1069 O  O   . GLU F  2 13 ? 9.272  45.021 -19.156 1.00 16.68 ?  13  GLU F O   1 
ATOM   1070 C  CB  . GLU F  2 13 ? 6.412  44.189 -18.032 1.00 13.68 ?  13  GLU F CB  1 
ATOM   1071 C  CG  . GLU F  2 13 ? 6.317  45.109 -16.829 1.00 19.08 ?  13  GLU F CG  1 
ATOM   1072 C  CD  . GLU F  2 13 ? 5.014  45.883 -16.781 0.00 21.65 ?  13  GLU F CD  1 
ATOM   1073 O  OE1 . GLU F  2 13 ? 4.048  45.465 -17.452 1.00 32.20 ?  13  GLU F OE1 1 
ATOM   1074 O  OE2 . GLU F  2 13 ? 4.957  46.913 -16.075 0.73 22.36 -1 13  GLU F OE2 1 
ATOM   1075 N  N   . ALA F  2 14 ? 9.503  44.644 -16.947 1.00 12.84 ?  14  ALA F N   1 
ATOM   1076 C  CA  . ALA F  2 14 ? 10.674 45.507 -16.848 1.00 12.62 ?  14  ALA F CA  1 
ATOM   1077 C  C   . ALA F  2 14 ? 11.907 44.834 -17.438 1.00 12.99 ?  14  ALA F C   1 
ATOM   1078 O  O   . ALA F  2 14 ? 12.702 45.479 -18.130 1.00 16.32 ?  14  ALA F O   1 
ATOM   1079 C  CB  . ALA F  2 14 ? 10.919 45.898 -15.392 1.00 12.87 ?  14  ALA F CB  1 
ATOM   1080 N  N   . LEU F  2 15 ? 12.082 43.536 -17.174 1.00 13.58 ?  15  LEU F N   1 
ATOM   1081 C  CA  . LEU F  2 15 ? 13.229 42.816 -17.719 1.00 14.29 ?  15  LEU F CA  1 
ATOM   1082 C  C   . LEU F  2 15 ? 13.184 42.772 -19.241 1.00 14.48 ?  15  LEU F C   1 
ATOM   1083 O  O   . LEU F  2 15 ? 14.216 42.919 -19.904 1.00 14.82 ?  15  LEU F O   1 
ATOM   1084 C  CB  . LEU F  2 15 ? 13.284 41.400 -17.144 1.00 15.32 ?  15  LEU F CB  1 
ATOM   1085 C  CG  . LEU F  2 15 ? 13.475 41.276 -15.632 1.00 15.69 ?  15  LEU F CG  1 
ATOM   1086 C  CD1 . LEU F  2 15 ? 13.478 39.814 -15.215 1.00 17.13 ?  15  LEU F CD1 1 
ATOM   1087 C  CD2 . LEU F  2 15 ? 14.757 41.967 -15.189 1.00 16.38 ?  15  LEU F CD2 1 
ATOM   1088 N  N   . TYR F  2 16 ? 11.994 42.569 -19.812 1.00 14.55 ?  16  TYR F N   1 
ATOM   1089 C  CA  . TYR F  2 16 ? 11.871 42.514 -21.265 1.00 15.15 ?  16  TYR F CA  1 
ATOM   1090 C  C   . TYR F  2 16 ? 12.339 43.814 -21.908 1.00 14.77 ?  16  TYR F C   1 
ATOM   1091 O  O   . TYR F  2 16 ? 13.009 43.797 -22.948 1.00 15.45 ?  16  TYR F O   1 
ATOM   1092 C  CB  . TYR F  2 16 ? 10.423 42.213 -21.656 1.00 15.57 ?  16  TYR F CB  1 
ATOM   1093 C  CG  . TYR F  2 16 ? 10.146 42.339 -23.137 1.00 16.51 ?  16  TYR F CG  1 
ATOM   1094 C  CD1 . TYR F  2 16 ? 10.424 41.293 -24.006 1.00 17.95 ?  16  TYR F CD1 1 
ATOM   1095 C  CD2 . TYR F  2 16 ? 9.602  43.504 -23.666 1.00 16.34 ?  16  TYR F CD2 1 
ATOM   1096 C  CE1 . TYR F  2 16 ? 10.172 41.404 -25.359 1.00 19.18 ?  16  TYR F CE1 1 
ATOM   1097 C  CE2 . TYR F  2 16 ? 9.349  43.623 -25.018 1.00 17.59 ?  16  TYR F CE2 1 
ATOM   1098 C  CZ  . TYR F  2 16 ? 9.634  42.570 -25.860 1.00 19.00 ?  16  TYR F CZ  1 
ATOM   1099 O  OH  . TYR F  2 16 ? 9.382  42.683 -27.207 1.00 20.60 ?  16  TYR F OH  1 
ATOM   1100 N  N   . LEU F  2 17 ? 11.990 44.951 -21.307 1.00 14.33 ?  17  LEU F N   1 
ATOM   1101 C  CA  . LEU F  2 17 ? 12.400 46.237 -21.860 1.00 14.77 ?  17  LEU F CA  1 
ATOM   1102 C  C   . LEU F  2 17 ? 13.886 46.493 -21.629 1.00 17.46 ?  17  LEU F C   1 
ATOM   1103 O  O   . LEU F  2 17 ? 14.588 46.965 -22.531 1.00 14.47 ?  17  LEU F O   1 
ATOM   1104 C  CB  . LEU F  2 17 ? 11.558 47.352 -21.244 1.00 13.46 ?  17  LEU F CB  1 
ATOM   1105 C  CG  . LEU F  2 17 ? 11.555 48.703 -21.957 1.00 35.96 ?  17  LEU F CG  1 
ATOM   1106 C  CD1 . LEU F  2 17 ? 10.888 48.591 -23.318 1.00 29.39 ?  17  LEU F CD1 1 
ATOM   1107 C  CD2 . LEU F  2 17 ? 10.867 49.750 -21.097 1.00 30.59 ?  17  LEU F CD2 1 
ATOM   1108 N  N   . VAL F  2 18 ? 14.381 46.186 -20.429 1.00 18.05 ?  18  VAL F N   1 
ATOM   1109 C  CA  . VAL F  2 18 ? 15.772 46.481 -20.096 1.00 17.93 ?  18  VAL F CA  1 
ATOM   1110 C  C   . VAL F  2 18 ? 16.723 45.569 -20.863 1.00 14.80 ?  18  VAL F C   1 
ATOM   1111 O  O   . VAL F  2 18 ? 17.741 46.022 -21.400 1.00 16.83 ?  18  VAL F O   1 
ATOM   1112 C  CB  . VAL F  2 18 ? 15.984 46.372 -18.575 1.00 18.48 ?  18  VAL F CB  1 
ATOM   1113 C  CG1 . VAL F  2 18 ? 17.458 46.474 -18.236 1.00 16.17 ?  18  VAL F CG1 1 
ATOM   1114 C  CG2 . VAL F  2 18 ? 15.201 47.453 -17.857 1.00 15.45 ?  18  VAL F CG2 1 
ATOM   1115 N  N   . CYS F  2 19 ? 16.412 44.274 -20.926 1.00 15.18 ?  19  CYS F N   1 
ATOM   1116 C  CA  . CYS F  2 19 ? 17.347 43.315 -21.506 1.00 17.96 ?  19  CYS F CA  1 
ATOM   1117 C  C   . CYS F  2 19 ? 17.367 43.362 -23.029 1.00 16.94 ?  19  CYS F C   1 
ATOM   1118 O  O   . CYS F  2 19 ? 18.423 43.145 -23.633 1.00 20.21 ?  19  CYS F O   1 
ATOM   1119 C  CB  . CYS F  2 19 ? 17.010 41.905 -21.023 1.00 16.97 ?  19  CYS F CB  1 
ATOM   1120 S  SG  . CYS F  2 19 ? 17.041 41.739 -19.225 1.00 16.78 ?  19  CYS F SG  1 
ATOM   1121 N  N   . GLY F  2 20 ? 16.230 43.640 -23.659 1.00 18.11 ?  20  GLY F N   1 
ATOM   1122 C  CA  . GLY F  2 20 ? 16.201 43.735 -25.110 1.00 18.65 ?  20  GLY F CA  1 
ATOM   1123 C  C   . GLY F  2 20 ? 16.511 42.407 -25.775 1.00 21.64 ?  20  GLY F C   1 
ATOM   1124 O  O   . GLY F  2 20 ? 15.946 41.364 -25.429 1.00 26.91 ?  20  GLY F O   1 
ATOM   1125 N  N   . GLU F  2 21 ? 17.426 42.446 -26.748 1.00 25.41 ?  21  GLU F N   1 
ATOM   1126 C  CA  . GLU F  2 21 ? 17.734 41.257 -27.538 0.88 25.69 ?  21  GLU F CA  1 
ATOM   1127 C  C   . GLU F  2 21 ? 18.395 40.168 -26.704 1.00 23.95 ?  21  GLU F C   1 
ATOM   1128 O  O   . GLU F  2 21 ? 18.295 38.984 -27.046 1.00 27.42 ?  21  GLU F O   1 
ATOM   1129 C  CB  . GLU F  2 21 ? 18.629 41.630 -28.719 1.00 32.61 ?  21  GLU F CB  1 
ATOM   1130 C  CG  . GLU F  2 21 ? 18.046 42.704 -29.621 1.00 39.04 ?  21  GLU F CG  1 
ATOM   1131 C  CD  . GLU F  2 21 ? 18.983 43.086 -30.748 1.00 47.69 ?  21  GLU F CD  1 
ATOM   1132 O  OE1 . GLU F  2 21 ? 20.007 42.394 -30.934 1.00 38.97 ?  21  GLU F OE1 1 
ATOM   1133 O  OE2 . GLU F  2 21 ? 18.699 44.080 -31.449 1.00 42.32 -1 21  GLU F OE2 1 
ATOM   1134 N  N   . ARG F  2 22 ? 19.079 40.542 -25.619 1.00 22.61 ?  22  ARG F N   1 
ATOM   1135 C  CA  . ARG F  2 22 ? 19.733 39.547 -24.775 1.00 21.79 ?  22  ARG F CA  1 
ATOM   1136 C  C   . ARG F  2 22 ? 18.733 38.574 -24.168 1.00 24.17 ?  22  ARG F C   1 
ATOM   1137 O  O   . ARG F  2 22 ? 19.063 37.404 -23.945 1.00 24.98 ?  22  ARG F O   1 
ATOM   1138 C  CB  . ARG F  2 22 ? 20.522 40.238 -23.662 1.00 21.76 ?  22  ARG F CB  1 
ATOM   1139 C  CG  . ARG F  2 22 ? 21.744 41.005 -24.130 1.00 18.19 ?  22  ARG F CG  1 
ATOM   1140 C  CD  A ARG F  2 22 ? 22.371 41.776 -22.979 0.96 18.24 ?  22  ARG F CD  1 
ATOM   1141 C  CD  B ARG F  2 22 ? 22.378 41.770 -22.979 0.04 18.25 ?  22  ARG F CD  1 
ATOM   1142 N  NE  A ARG F  2 22 ? 21.477 42.811 -22.475 0.96 17.49 ?  22  ARG F NE  1 
ATOM   1143 N  NE  B ARG F  2 22 ? 22.728 40.894 -21.868 0.04 18.52 ?  22  ARG F NE  1 
ATOM   1144 C  CZ  A ARG F  2 22 ? 21.698 43.527 -21.381 0.96 17.50 ?  22  ARG F CZ  1 
ATOM   1145 C  CZ  B ARG F  2 22 ? 23.212 41.314 -20.707 0.04 18.53 ?  22  ARG F CZ  1 
ATOM   1146 N  NH1 A ARG F  2 22 ? 22.773 43.335 -20.634 0.96 18.18 ?  22  ARG F NH1 1 
ATOM   1147 N  NH1 B ARG F  2 22 ? 23.413 42.599 -20.466 0.04 18.62 ?  22  ARG F NH1 1 
ATOM   1148 N  NH2 A ARG F  2 22 ? 20.817 44.458 -21.026 0.96 21.83 ?  22  ARG F NH2 1 
ATOM   1149 N  NH2 B ARG F  2 22 ? 23.500 40.422 -19.763 0.04 19.13 ?  22  ARG F NH2 1 
ATOM   1150 N  N   . GLY F  2 23 ? 17.515 39.031 -23.899 1.00 22.65 ?  23  GLY F N   1 
ATOM   1151 C  CA  . GLY F  2 23 ? 16.555 38.222 -23.182 1.00 20.12 ?  23  GLY F CA  1 
ATOM   1152 C  C   . GLY F  2 23 ? 16.854 38.205 -21.697 1.00 18.63 ?  23  GLY F C   1 
ATOM   1153 O  O   . GLY F  2 23 ? 17.798 38.826 -21.206 1.00 18.09 ?  23  GLY F O   1 
ATOM   1154 N  N   . PHE F  2 24 ? 16.030 37.463 -20.964 1.00 15.12 ?  24  PHE F N   1 
ATOM   1155 C  CA  . PHE F  2 24 ? 16.163 37.415 -19.517 1.00 20.58 ?  24  PHE F CA  1 
ATOM   1156 C  C   . PHE F  2 24 ? 15.706 36.056 -19.011 1.00 20.67 ?  24  PHE F C   1 
ATOM   1157 O  O   . PHE F  2 24 ? 15.180 35.228 -19.759 1.00 18.78 ?  24  PHE F O   1 
ATOM   1158 C  CB  . PHE F  2 24 ? 15.366 38.538 -18.845 1.00 17.39 ?  24  PHE F CB  1 
ATOM   1159 C  CG  . PHE F  2 24 ? 13.886 38.464 -19.094 1.00 15.50 ?  24  PHE F CG  1 
ATOM   1160 C  CD1 . PHE F  2 24 ? 13.334 39.029 -20.231 1.00 14.34 ?  24  PHE F CD1 1 
ATOM   1161 C  CD2 . PHE F  2 24 ? 13.048 37.831 -18.190 1.00 14.60 ?  24  PHE F CD2 1 
ATOM   1162 C  CE1 . PHE F  2 24 ? 11.975 38.963 -20.464 1.00 13.47 ?  24  PHE F CE1 1 
ATOM   1163 C  CE2 . PHE F  2 24 ? 11.688 37.762 -18.418 1.00 15.77 ?  24  PHE F CE2 1 
ATOM   1164 C  CZ  . PHE F  2 24 ? 11.152 38.329 -19.558 1.00 15.09 ?  24  PHE F CZ  1 
ATOM   1165 N  N   . PHE F  2 25 ? 15.923 35.839 -17.718 1.00 17.66 ?  25  PHE F N   1 
ATOM   1166 C  CA  . PHE F  2 25 ? 15.450 34.656 -17.018 1.00 17.98 ?  25  PHE F CA  1 
ATOM   1167 C  C   . PHE F  2 25 ? 14.681 35.096 -15.783 1.00 18.58 ?  25  PHE F C   1 
ATOM   1168 O  O   . PHE F  2 25 ? 15.119 35.993 -15.055 1.00 18.12 ?  25  PHE F O   1 
ATOM   1169 C  CB  . PHE F  2 25 ? 16.613 33.734 -16.621 1.00 19.54 ?  25  PHE F CB  1 
ATOM   1170 C  CG  . PHE F  2 25 ? 17.666 34.407 -15.783 1.00 26.44 ?  25  PHE F CG  1 
ATOM   1171 C  CD1 . PHE F  2 25 ? 18.703 35.107 -16.379 1.00 19.40 ?  25  PHE F CD1 1 
ATOM   1172 C  CD2 . PHE F  2 25 ? 17.624 34.333 -14.401 1.00 22.86 ?  25  PHE F CD2 1 
ATOM   1173 C  CE1 . PHE F  2 25 ? 19.671 35.726 -15.612 1.00 19.96 ?  25  PHE F CE1 1 
ATOM   1174 C  CE2 . PHE F  2 25 ? 18.589 34.951 -13.628 1.00 21.73 ?  25  PHE F CE2 1 
ATOM   1175 C  CZ  . PHE F  2 25 ? 19.615 35.647 -14.235 1.00 21.09 ?  25  PHE F CZ  1 
ATOM   1176 N  N   . TYR F  2 26 ? 13.527 34.476 -15.559 1.00 18.92 ?  26  TYR F N   1 
ATOM   1177 C  CA  . TYR F  2 26 ? 12.724 34.720 -14.370 1.00 19.33 ?  26  TYR F CA  1 
ATOM   1178 C  C   . TYR F  2 26 ? 12.590 33.417 -13.598 1.00 21.44 ?  26  TYR F C   1 
ATOM   1179 O  O   . TYR F  2 26 ? 12.169 32.400 -14.159 1.00 22.00 ?  26  TYR F O   1 
ATOM   1180 C  CB  . TYR F  2 26 ? 11.343 35.273 -14.731 1.00 18.37 ?  26  TYR F CB  1 
ATOM   1181 C  CG  . TYR F  2 26 ? 10.506 35.629 -13.523 1.00 21.66 ?  26  TYR F CG  1 
ATOM   1182 C  CD1 . TYR F  2 26 ? 10.696 36.831 -12.854 1.00 20.79 ?  26  TYR F CD1 1 
ATOM   1183 C  CD2 . TYR F  2 26 ? 9.530  34.763 -13.049 1.00 20.56 ?  26  TYR F CD2 1 
ATOM   1184 C  CE1 . TYR F  2 26 ? 9.936  37.162 -11.749 1.00 19.91 ?  26  TYR F CE1 1 
ATOM   1185 C  CE2 . TYR F  2 26 ? 8.765  35.085 -11.944 1.00 21.63 ?  26  TYR F CE2 1 
ATOM   1186 C  CZ  . TYR F  2 26 ? 8.972  36.286 -11.298 1.00 21.28 ?  26  TYR F CZ  1 
ATOM   1187 O  OH  . TYR F  2 26 ? 8.214  36.612 -10.197 1.00 24.96 ?  26  TYR F OH  1 
ATOM   1188 N  N   . THR F  2 27 ? 12.952 33.449 -12.319 1.00 22.91 ?  27  THR F N   1 
ATOM   1189 C  CA  . THR F  2 27 ? 12.928 32.256 -11.474 1.00 25.64 ?  27  THR F CA  1 
ATOM   1190 C  C   . THR F  2 27 ? 12.686 32.689 -10.036 1.00 38.56 ?  27  THR F C   1 
ATOM   1191 O  O   . THR F  2 27 ? 13.617 33.128 -9.343  1.00 47.54 ?  27  THR F O   1 
ATOM   1192 C  CB  . THR F  2 27 ? 14.222 31.455 -11.589 1.00 35.05 ?  27  THR F CB  1 
ATOM   1193 O  OG1 . THR F  2 27 ? 14.426 31.063 -12.952 1.00 34.69 ?  27  THR F OG1 1 
ATOM   1194 C  CG2 . THR F  2 27 ? 14.159 30.211 -10.716 1.00 38.21 ?  27  THR F CG2 1 
ATOM   1195 N  N   . PRO F  2 28 ? 11.449 32.591 -9.551  1.00 36.57 ?  28  PRO F N   1 
ATOM   1196 C  CA  . PRO F  2 28 ? 11.189 32.894 -8.138  1.00 43.17 ?  28  PRO F CA  1 
ATOM   1197 C  C   . PRO F  2 28 ? 11.644 31.770 -7.221  1.00 36.99 ?  28  PRO F C   1 
ATOM   1198 O  O   . PRO F  2 28 ? 12.086 32.018 -6.095  1.00 61.12 ?  28  PRO F O   1 
ATOM   1199 C  CB  . PRO F  2 28 ? 9.668  33.080 -8.096  1.00 42.43 ?  28  PRO F CB  1 
ATOM   1200 C  CG  . PRO F  2 28 ? 9.163  32.230 -9.215  1.00 28.87 ?  28  PRO F CG  1 
ATOM   1201 C  CD  . PRO F  2 28 ? 10.214 32.282 -10.293 1.00 27.01 ?  28  PRO F CD  1 
ATOM   1202 N  N   . LYS F  2 29 ? 11.548 30.533 -7.699  0.78 38.97 ?  29  LYS F N   1 
ATOM   1203 C  CA  . LYS F  2 29 ? 11.938 29.367 -6.911  0.23 41.76 ?  29  LYS F CA  1 
ATOM   1204 C  C   . LYS F  2 29 ? 12.950 28.503 -7.657  0.52 40.24 ?  29  LYS F C   1 
ATOM   1205 O  O   . LYS F  2 29 ? 13.919 28.016 -7.075  0.40 40.34 ?  29  LYS F O   1 
ATOM   1206 C  CB  . LYS F  2 29 ? 10.708 28.532 -6.547  0.98 39.77 ?  29  LYS F CB  1 
ATOM   1207 C  CG  . LYS F  2 29 ? 10.360 28.546 -5.067  0.07 42.89 ?  29  LYS F CG  1 
ATOM   1208 C  CD  . LYS F  2 29 ? 10.116 29.959 -4.567  0.99 41.87 ?  29  LYS F CD  1 
ATOM   1209 C  CE  . LYS F  2 29 ? 8.935  30.604 -5.276  0.35 42.31 ?  29  LYS F CE  1 
ATOM   1210 N  NZ  . LYS F  2 29 ? 8.776  32.035 -4.895  0.89 43.99 ?  29  LYS F NZ  1 
ATOM   1211 O  OXT . LYS F  2 29 ? 12.821 28.271 -8.859  1.00 47.20 -1 29  LYS F OXT 1 
ATOM   1212 N  N   . GLY G  1 1  ? 12.281 30.248 -32.850 1.00 23.93 ?  1   GLY G N   1 
ATOM   1213 C  CA  . GLY G  1 1  ? 12.145 30.612 -31.452 1.00 22.73 ?  1   GLY G CA  1 
ATOM   1214 C  C   . GLY G  1 1  ? 10.727 30.982 -31.062 1.00 16.13 ?  1   GLY G C   1 
ATOM   1215 O  O   . GLY G  1 1  ? 9.788  30.762 -31.827 1.00 20.37 ?  1   GLY G O   1 
ATOM   1216 N  N   . ILE G  1 2  ? 10.572 31.550 -29.864 1.00 15.97 ?  2   ILE G N   1 
ATOM   1217 C  CA  . ILE G  1 2  ? 9.243  31.912 -29.381 1.00 14.14 ?  2   ILE G CA  1 
ATOM   1218 C  C   . ILE G  1 2  ? 8.666  33.061 -30.202 1.00 14.56 ?  2   ILE G C   1 
ATOM   1219 O  O   . ILE G  1 2  ? 7.460  33.103 -30.471 1.00 14.84 ?  2   ILE G O   1 
ATOM   1220 C  CB  . ILE G  1 2  ? 9.291  32.245 -27.878 1.00 18.88 ?  2   ILE G CB  1 
ATOM   1221 C  CG1 . ILE G  1 2  ? 7.887  32.545 -27.352 1.00 14.63 ?  2   ILE G CG1 1 
ATOM   1222 C  CG2 . ILE G  1 2  ? 10.231 33.414 -27.598 1.00 14.31 ?  2   ILE G CG2 1 
ATOM   1223 C  CD1 . ILE G  1 2  ? 7.876  33.052 -25.936 1.00 21.86 ?  2   ILE G CD1 1 
ATOM   1224 N  N   . VAL G  1 3  ? 9.512  34.011 -30.606 1.00 18.94 ?  3   VAL G N   1 
ATOM   1225 C  CA  . VAL G  1 3  ? 9.049  35.111 -31.445 1.00 16.74 ?  3   VAL G CA  1 
ATOM   1226 C  C   . VAL G  1 3  ? 8.614  34.595 -32.811 1.00 18.98 ?  3   VAL G C   1 
ATOM   1227 O  O   . VAL G  1 3  ? 7.593  35.028 -33.359 1.00 22.21 ?  3   VAL G O   1 
ATOM   1228 C  CB  . VAL G  1 3  ? 10.144 36.186 -31.566 1.00 21.90 ?  3   VAL G CB  1 
ATOM   1229 C  CG1 . VAL G  1 3  ? 9.687  37.317 -32.475 1.00 20.02 ?  3   VAL G CG1 1 
ATOM   1230 C  CG2 . VAL G  1 3  ? 10.518 36.720 -30.191 1.00 22.14 ?  3   VAL G CG2 1 
ATOM   1231 N  N   . GLU G  1 4  ? 9.378  33.660 -33.380 1.00 21.49 ?  4   GLU G N   1 
ATOM   1232 C  CA  . GLU G  1 4  ? 9.053  33.134 -34.702 1.00 20.74 ?  4   GLU G CA  1 
ATOM   1233 C  C   . GLU G  1 4  ? 7.740  32.360 -34.692 1.00 16.19 ?  4   GLU G C   1 
ATOM   1234 O  O   . GLU G  1 4  ? 6.979  32.408 -35.664 1.00 22.57 ?  4   GLU G O   1 
ATOM   1235 C  CB  . GLU G  1 4  ? 10.191 32.250 -35.211 1.00 21.25 ?  4   GLU G CB  1 
ATOM   1236 C  CG  . GLU G  1 4  ? 9.961  31.680 -36.602 0.56 21.93 ?  4   GLU G CG  1 
ATOM   1237 C  CD  . GLU G  1 4  ? 11.108 30.810 -37.073 0.64 17.44 ?  4   GLU G CD  1 
ATOM   1238 O  OE1 . GLU G  1 4  ? 12.102 30.679 -36.328 0.00 18.49 ?  4   GLU G OE1 1 
ATOM   1239 O  OE2 . GLU G  1 4  ? 11.016 30.256 -38.189 0.48 18.30 -1 4   GLU G OE2 1 
ATOM   1240 N  N   . GLN G  1 5  ? 7.458  31.630 -33.614 1.00 20.90 ?  5   GLN G N   1 
ATOM   1241 C  CA  . GLN G  1 5  ? 6.256  30.805 -33.588 1.00 18.47 ?  5   GLN G CA  1 
ATOM   1242 C  C   . GLN G  1 5  ? 5.017  31.572 -33.140 1.00 16.11 ?  5   GLN G C   1 
ATOM   1243 O  O   . GLN G  1 5  ? 3.950  31.425 -33.745 1.00 16.80 ?  5   GLN G O   1 
ATOM   1244 C  CB  . GLN G  1 5  ? 6.460  29.595 -32.671 1.00 15.30 ?  5   GLN G CB  1 
ATOM   1245 C  CG  . GLN G  1 5  ? 5.261  28.656 -32.645 1.00 20.09 ?  5   GLN G CG  1 
ATOM   1246 C  CD  . GLN G  1 5  ? 5.347  27.608 -31.552 1.00 28.52 ?  5   GLN G CD  1 
ATOM   1247 O  OE1 . GLN G  1 5  ? 6.260  27.624 -30.727 1.00 18.38 ?  5   GLN G OE1 1 
ATOM   1248 N  NE2 . GLN G  1 5  ? 4.388  26.689 -31.541 1.00 16.01 ?  5   GLN G NE2 1 
ATOM   1249 N  N   . CYS G  1 6  ? 5.132  32.390 -32.095 1.00 15.81 ?  6   CYS G N   1 
ATOM   1250 C  CA  . CYS G  1 6  ? 3.962  32.940 -31.426 1.00 16.21 ?  6   CYS G CA  1 
ATOM   1251 C  C   . CYS G  1 6  ? 3.610  34.361 -31.847 1.00 16.74 ?  6   CYS G C   1 
ATOM   1252 O  O   . CYS G  1 6  ? 2.551  34.858 -31.449 1.00 17.30 ?  6   CYS G O   1 
ATOM   1253 C  CB  . CYS G  1 6  ? 4.162  32.887 -29.908 1.00 15.87 ?  6   CYS G CB  1 
ATOM   1254 S  SG  . CYS G  1 6  ? 4.340  31.197 -29.315 1.00 15.54 ?  6   CYS G SG  1 
ATOM   1255 N  N   . CYS G  1 7  ? 4.453  35.027 -32.631 1.00 16.02 ?  7   CYS G N   1 
ATOM   1256 C  CA  . CYS G  1 7  ? 4.097  36.315 -33.210 1.00 15.10 ?  7   CYS G CA  1 
ATOM   1257 C  C   . CYS G  1 7  ? 3.677  36.200 -34.669 1.00 13.54 ?  7   CYS G C   1 
ATOM   1258 O  O   . CYS G  1 7  ? 3.336  37.215 -35.285 1.00 15.30 ?  7   CYS G O   1 
ATOM   1259 C  CB  . CYS G  1 7  ? 5.256  37.308 -33.063 1.00 11.98 ?  7   CYS G CB  1 
ATOM   1260 S  SG  . CYS G  1 7  ? 5.651  37.712 -31.337 1.00 13.15 ?  7   CYS G SG  1 
ATOM   1261 N  N   . THR G  1 8  ? 3.697  34.992 -35.232 1.00 13.43 ?  8   THR G N   1 
ATOM   1262 C  CA  . THR G  1 8  ? 3.115  34.702 -36.538 1.00 20.82 ?  8   THR G CA  1 
ATOM   1263 C  C   . THR G  1 8  ? 1.743  34.055 -36.428 1.00 14.55 ?  8   THR G C   1 
ATOM   1264 O  O   . THR G  1 8  ? 0.871  34.308 -37.264 1.00 20.45 ?  8   THR G O   1 
ATOM   1265 C  CB  . THR G  1 8  ? 4.034  33.780 -37.345 1.00 15.29 ?  8   THR G CB  1 
ATOM   1266 O  OG1 . THR G  1 8  ? 4.114  32.501 -36.703 1.00 18.13 ?  8   THR G OG1 1 
ATOM   1267 C  CG2 . THR G  1 8  ? 5.419  34.369 -37.438 1.00 21.39 ?  8   THR G CG2 1 
ATOM   1268 N  N   . SER G  1 9  ? 1.544  33.216 -35.415 1.00 15.99 ?  9   SER G N   1 
ATOM   1269 C  CA  . SER G  1 9  ? 0.256  32.605 -35.130 1.00 16.03 ?  9   SER G CA  1 
ATOM   1270 C  C   . SER G  1 9  ? 0.004  32.697 -33.633 1.00 13.85 ?  9   SER G C   1 
ATOM   1271 O  O   . SER G  1 9  ? 0.937  32.797 -32.833 1.00 17.48 ?  9   SER G O   1 
ATOM   1272 C  CB  . SER G  1 9  ? 0.204  31.141 -35.589 1.00 11.57 ?  9   SER G CB  1 
ATOM   1273 O  OG  . SER G  1 9  ? 0.517  31.027 -36.966 1.00 27.20 ?  9   SER G OG  1 
ATOM   1274 N  N   . ILE G  1 10 ? -1.275 32.674 -33.260 1.00 11.55 ?  10  ILE G N   1 
ATOM   1275 C  CA  . ILE G  1 10 ? -1.631 32.705 -31.848 1.00 15.06 ?  10  ILE G CA  1 
ATOM   1276 C  C   . ILE G  1 10 ? -1.184 31.407 -31.190 1.00 12.74 ?  10  ILE G C   1 
ATOM   1277 O  O   . ILE G  1 10 ? -1.493 30.309 -31.670 1.00 12.88 ?  10  ILE G O   1 
ATOM   1278 C  CB  . ILE G  1 10 ? -3.141 32.927 -31.672 1.00 14.77 ?  10  ILE G CB  1 
ATOM   1279 C  CG1 . ILE G  1 10 ? -3.532 34.336 -32.121 1.00 16.40 ?  10  ILE G CG1 1 
ATOM   1280 C  CG2 . ILE G  1 10 ? -3.551 32.695 -30.225 1.00 12.95 ?  10  ILE G CG2 1 
ATOM   1281 C  CD1 . ILE G  1 10 ? -4.990 34.664 -31.876 1.00 17.97 ?  10  ILE G CD1 1 
ATOM   1282 N  N   . CYS G  1 11 ? -0.447 31.530 -30.091 1.00 14.24 ?  11  CYS G N   1 
ATOM   1283 C  CA  . CYS G  1 11 ? -0.005 30.387 -29.305 1.00 16.17 ?  11  CYS G CA  1 
ATOM   1284 C  C   . CYS G  1 11 ? -0.923 30.218 -28.105 1.00 16.71 ?  11  CYS G C   1 
ATOM   1285 O  O   . CYS G  1 11 ? -1.139 31.167 -27.344 1.00 20.83 ?  11  CYS G O   1 
ATOM   1286 C  CB  . CYS G  1 11 ? 1.438  30.565 -28.832 1.00 15.94 ?  11  CYS G CB  1 
ATOM   1287 S  SG  . CYS G  1 11 ? 2.704  30.268 -30.077 1.00 15.36 ?  11  CYS G SG  1 
ATOM   1288 N  N   . SER G  1 12 ? -1.461 29.016 -27.938 1.00 19.59 ?  12  SER G N   1 
ATOM   1289 C  CA  . SER G  1 12 ? -2.296 28.736 -26.784 1.00 18.79 ?  12  SER G CA  1 
ATOM   1290 C  C   . SER G  1 12 ? -1.437 28.624 -25.525 1.00 20.70 ?  12  SER G C   1 
ATOM   1291 O  O   . SER G  1 12 ? -0.204 28.606 -25.575 1.00 21.03 ?  12  SER G O   1 
ATOM   1292 C  CB  . SER G  1 12 ? -3.096 27.453 -26.997 1.00 19.42 ?  12  SER G CB  1 
ATOM   1293 O  OG  . SER G  1 12 ? -2.237 26.328 -27.062 1.00 20.37 ?  12  SER G OG  1 
ATOM   1294 N  N   . LEU G  1 13 ? -2.118 28.548 -24.377 1.00 21.25 ?  13  LEU G N   1 
ATOM   1295 C  CA  . LEU G  1 13 ? -1.429 28.360 -23.104 1.00 17.46 ?  13  LEU G CA  1 
ATOM   1296 C  C   . LEU G  1 13 ? -0.546 27.120 -23.131 1.00 16.81 ?  13  LEU G C   1 
ATOM   1297 O  O   . LEU G  1 13 ? 0.561  27.118 -22.579 1.00 16.37 ?  13  LEU G O   1 
ATOM   1298 C  CB  . LEU G  1 13 ? -2.452 28.251 -21.972 1.00 20.54 ?  13  LEU G CB  1 
ATOM   1299 C  CG  . LEU G  1 13 ? -3.491 29.365 -21.845 1.00 28.39 ?  13  LEU G CG  1 
ATOM   1300 C  CD1 . LEU G  1 13 ? -4.650 28.909 -20.976 1.00 29.71 ?  13  LEU G CD1 1 
ATOM   1301 C  CD2 . LEU G  1 13 ? -2.855 30.611 -21.267 1.00 27.19 ?  13  LEU G CD2 1 
ATOM   1302 N  N   . TYR G  1 14 ? -1.023 26.053 -23.773 1.00 17.08 ?  14  TYR G N   1 
ATOM   1303 C  CA  . TYR G  1 14 ? -0.267 24.806 -23.823 1.00 16.97 ?  14  TYR G CA  1 
ATOM   1304 C  C   . TYR G  1 14 ? 0.957  24.934 -24.720 1.00 16.99 ?  14  TYR G C   1 
ATOM   1305 O  O   . TYR G  1 14 ? 2.009  24.354 -24.430 1.00 16.81 ?  14  TYR G O   1 
ATOM   1306 C  CB  . TYR G  1 14 ? -1.181 23.675 -24.290 1.00 17.71 ?  14  TYR G CB  1 
ATOM   1307 C  CG  . TYR G  1 14 ? -2.440 23.567 -23.460 1.00 17.99 ?  14  TYR G CG  1 
ATOM   1308 C  CD1 . TYR G  1 14 ? -3.580 24.290 -23.792 1.00 18.42 ?  14  TYR G CD1 1 
ATOM   1309 C  CD2 . TYR G  1 14 ? -2.481 22.761 -22.332 1.00 19.77 ?  14  TYR G CD2 1 
ATOM   1310 C  CE1 . TYR G  1 14 ? -4.728 24.204 -23.027 1.00 18.89 ?  14  TYR G CE1 1 
ATOM   1311 C  CE2 . TYR G  1 14 ? -3.623 22.669 -21.563 1.00 18.63 ?  14  TYR G CE2 1 
ATOM   1312 C  CZ  . TYR G  1 14 ? -4.744 23.389 -21.915 1.00 22.20 ?  14  TYR G CZ  1 
ATOM   1313 O  OH  . TYR G  1 14 ? -5.882 23.294 -21.148 1.00 31.57 ?  14  TYR G OH  1 
ATOM   1314 N  N   . GLN G  1 15 ? 0.838  25.685 -25.818 1.00 17.46 ?  15  GLN G N   1 
ATOM   1315 C  CA  . GLN G  1 15 ? 2.003  25.957 -26.653 1.00 17.76 ?  15  GLN G CA  1 
ATOM   1316 C  C   . GLN G  1 15 ? 2.985  26.878 -25.939 1.00 19.92 ?  15  GLN G C   1 
ATOM   1317 O  O   . GLN G  1 15 ? 4.204  26.722 -26.076 1.00 17.44 ?  15  GLN G O   1 
ATOM   1318 C  CB  . GLN G  1 15 ? 1.562  26.561 -27.986 1.00 18.74 ?  15  GLN G CB  1 
ATOM   1319 C  CG  . GLN G  1 15 ? 0.671  25.644 -28.810 1.00 20.69 ?  15  GLN G CG  1 
ATOM   1320 C  CD  . GLN G  1 15 ? 0.129  26.318 -30.055 1.00 20.64 ?  15  GLN G CD  1 
ATOM   1321 O  OE1 . GLN G  1 15 ? -0.760 27.165 -29.979 1.00 20.95 ?  15  GLN G OE1 1 
ATOM   1322 N  NE2 . GLN G  1 15 ? 0.666  25.945 -31.211 1.00 21.59 ?  15  GLN G NE2 1 
ATOM   1323 N  N   . LEU G  1 16 ? 2.470  27.847 -25.178 1.00 17.22 ?  16  LEU G N   1 
ATOM   1324 C  CA  . LEU G  1 16 ? 3.335  28.705 -24.375 1.00 18.72 ?  16  LEU G CA  1 
ATOM   1325 C  C   . LEU G  1 16 ? 4.038  27.921 -23.274 1.00 18.96 ?  16  LEU G C   1 
ATOM   1326 O  O   . LEU G  1 16 ? 5.155  28.275 -22.880 1.00 20.46 ?  16  LEU G O   1 
ATOM   1327 C  CB  . LEU G  1 16 ? 2.522  29.851 -23.769 1.00 17.47 ?  16  LEU G CB  1 
ATOM   1328 C  CG  . LEU G  1 16 ? 1.954  30.906 -24.723 1.00 20.34 ?  16  LEU G CG  1 
ATOM   1329 C  CD1 . LEU G  1 16 ? 0.601  31.396 -24.233 1.00 25.59 ?  16  LEU G CD1 1 
ATOM   1330 C  CD2 . LEU G  1 16 ? 2.915  32.072 -24.863 1.00 27.62 ?  16  LEU G CD2 1 
ATOM   1331 N  N   . GLU G  1 17 ? 3.404  26.859 -22.768 1.00 16.06 ?  17  GLU G N   1 
ATOM   1332 C  CA  . GLU G  1 17 ? 3.980  26.083 -21.675 1.00 17.88 ?  17  GLU G CA  1 
ATOM   1333 C  C   . GLU G  1 17 ? 5.265  25.369 -22.079 1.00 21.29 ?  17  GLU G C   1 
ATOM   1334 O  O   . GLU G  1 17 ? 6.079  25.048 -21.206 1.00 23.02 ?  17  GLU G O   1 
ATOM   1335 C  CB  . GLU G  1 17 ? 2.954  25.069 -21.162 1.00 16.49 ?  17  GLU G CB  1 
ATOM   1336 C  CG  . GLU G  1 17 ? 3.299  24.446 -19.818 1.00 24.73 ?  17  GLU G CG  1 
ATOM   1337 C  CD  . GLU G  1 17 ? 2.275  23.421 -19.369 1.00 23.86 ?  17  GLU G CD  1 
ATOM   1338 O  OE1 . GLU G  1 17 ? 1.380  23.082 -20.171 1.00 18.33 ?  17  GLU G OE1 1 
ATOM   1339 O  OE2 . GLU G  1 17 ? 2.366  22.955 -18.214 1.00 35.29 -1 17  GLU G OE2 1 
ATOM   1340 N  N   . ASN G  1 18 ? 5.470  25.121 -23.375 1.00 16.94 ?  18  ASN G N   1 
ATOM   1341 C  CA  . ASN G  1 18 ? 6.690  24.454 -23.819 1.00 18.01 ?  18  ASN G CA  1 
ATOM   1342 C  C   . ASN G  1 18 ? 7.931  25.285 -23.522 1.00 20.29 ?  18  ASN G C   1 
ATOM   1343 O  O   . ASN G  1 18 ? 9.021  24.731 -23.344 1.00 22.26 ?  18  ASN G O   1 
ATOM   1344 C  CB  . ASN G  1 18 ? 6.609  24.149 -25.315 1.00 22.76 ?  18  ASN G CB  1 
ATOM   1345 C  CG  . ASN G  1 18 ? 5.725  22.960 -25.622 1.00 23.16 ?  18  ASN G CG  1 
ATOM   1346 O  OD1 . ASN G  1 18 ? 5.036  22.437 -24.745 1.00 30.37 ?  18  ASN G OD1 1 
ATOM   1347 N  ND2 . ASN G  1 18 ? 5.738  22.525 -26.876 1.00 28.65 ?  18  ASN G ND2 1 
ATOM   1348 N  N   . TYR G  1 19 ? 7.790  26.606 -23.465 1.00 20.92 ?  19  TYR G N   1 
ATOM   1349 C  CA  . TYR G  1 19 ? 8.913  27.495 -23.208 1.00 19.16 ?  19  TYR G CA  1 
ATOM   1350 C  C   . TYR G  1 19 ? 9.196  27.679 -21.722 1.00 17.13 ?  19  TYR G C   1 
ATOM   1351 O  O   . TYR G  1 19 ? 10.131 28.405 -21.369 1.00 17.71 ?  19  TYR G O   1 
ATOM   1352 C  CB  . TYR G  1 19 ? 8.664  28.853 -23.870 1.00 18.00 ?  19  TYR G CB  1 
ATOM   1353 C  CG  . TYR G  1 19 ? 8.473  28.759 -25.368 1.00 18.59 ?  19  TYR G CG  1 
ATOM   1354 C  CD1 . TYR G  1 19 ? 9.566  28.710 -26.224 1.00 19.52 ?  19  TYR G CD1 1 
ATOM   1355 C  CD2 . TYR G  1 19 ? 7.202  28.708 -25.926 1.00 20.99 ?  19  TYR G CD2 1 
ATOM   1356 C  CE1 . TYR G  1 19 ? 9.399  28.618 -27.592 1.00 20.32 ?  19  TYR G CE1 1 
ATOM   1357 C  CE2 . TYR G  1 19 ? 7.025  28.617 -27.294 1.00 20.38 ?  19  TYR G CE2 1 
ATOM   1358 C  CZ  . TYR G  1 19 ? 8.127  28.572 -28.122 1.00 25.86 ?  19  TYR G CZ  1 
ATOM   1359 O  OH  . TYR G  1 19 ? 7.958  28.482 -29.485 1.00 30.53 ?  19  TYR G OH  1 
ATOM   1360 N  N   . CYS G  1 20 ? 8.418  27.044 -20.851 1.00 16.55 ?  20  CYS G N   1 
ATOM   1361 C  CA  . CYS G  1 20 ? 8.657  27.113 -19.419 1.00 22.73 ?  20  CYS G CA  1 
ATOM   1362 C  C   . CYS G  1 20 ? 9.828  26.219 -19.024 1.00 16.96 ?  20  CYS G C   1 
ATOM   1363 O  O   . CYS G  1 20 ? 10.221 25.302 -19.750 1.00 17.15 ?  20  CYS G O   1 
ATOM   1364 C  CB  . CYS G  1 20 ? 7.407  26.699 -18.644 1.00 16.88 ?  20  CYS G CB  1 
ATOM   1365 S  SG  . CYS G  1 20 ? 5.953  27.705 -18.988 1.00 15.98 ?  20  CYS G SG  1 
ATOM   1366 N  N   . ASN G  1 21 ? 10.385 26.499 -17.850 1.00 18.58 ?  21  ASN G N   1 
ATOM   1367 C  CA  . ASN G  1 21 ? 11.464 25.685 -17.302 1.00 19.42 ?  21  ASN G CA  1 
ATOM   1368 C  C   . ASN G  1 21 ? 10.912 24.408 -16.677 1.00 18.04 ?  21  ASN G C   1 
ATOM   1369 O  O   . ASN G  1 21 ? 11.665 23.517 -16.286 1.00 26.38 ?  21  ASN G O   1 
ATOM   1370 C  CB  . ASN G  1 21 ? 12.266 26.475 -16.266 1.00 22.05 ?  21  ASN G CB  1 
ATOM   1371 C  CG  . ASN G  1 21 ? 13.180 27.506 -16.899 1.00 25.53 ?  21  ASN G CG  1 
ATOM   1372 O  OD1 . ASN G  1 21 ? 13.688 27.306 -18.002 1.00 33.42 ?  21  ASN G OD1 1 
ATOM   1373 N  ND2 . ASN G  1 21 ? 13.397 28.614 -16.201 1.00 22.99 ?  21  ASN G ND2 1 
ATOM   1374 O  OXT . ASN G  1 21 ? 9.700  24.239 -16.547 1.00 22.18 -1 21  ASN G OXT 1 
ATOM   1375 N  N   . PHE H  2 1  ? 11.971 46.500 -35.185 1.00 22.16 ?  1   PHE H N   1 
ATOM   1376 C  CA  . PHE H  2 1  ? 10.613 46.441 -35.711 1.00 21.03 ?  1   PHE H CA  1 
ATOM   1377 C  C   . PHE H  2 1  ? 9.588  46.538 -34.580 1.00 19.71 ?  1   PHE H C   1 
ATOM   1378 O  O   . PHE H  2 1  ? 9.573  45.710 -33.669 1.00 21.03 ?  1   PHE H O   1 
ATOM   1379 C  CB  . PHE H  2 1  ? 10.412 45.159 -36.516 1.00 20.93 ?  1   PHE H CB  1 
ATOM   1380 C  CG  . PHE H  2 1  ? 9.016  44.976 -37.017 1.00 23.22 ?  1   PHE H CG  1 
ATOM   1381 C  CD1 . PHE H  2 1  ? 8.446  45.903 -37.872 1.00 37.79 ?  1   PHE H CD1 1 
ATOM   1382 C  CD2 . PHE H  2 1  ? 8.273  43.875 -36.639 1.00 29.68 ?  1   PHE H CD2 1 
ATOM   1383 C  CE1 . PHE H  2 1  ? 7.158  45.737 -38.334 1.00 35.87 ?  1   PHE H CE1 1 
ATOM   1384 C  CE2 . PHE H  2 1  ? 6.988  43.703 -37.096 1.00 34.17 ?  1   PHE H CE2 1 
ATOM   1385 C  CZ  . PHE H  2 1  ? 6.428  44.636 -37.947 1.00 28.08 ?  1   PHE H CZ  1 
ATOM   1386 N  N   . VAL H  2 2  ? 8.725  47.553 -34.663 1.00 19.25 ?  2   VAL H N   1 
ATOM   1387 C  CA  . VAL H  2 2  ? 7.892  47.934 -33.524 1.00 18.34 ?  2   VAL H CA  1 
ATOM   1388 C  C   . VAL H  2 2  ? 6.885  46.839 -33.188 1.00 17.05 ?  2   VAL H C   1 
ATOM   1389 O  O   . VAL H  2 2  ? 6.718  46.469 -32.020 1.00 16.46 ?  2   VAL H O   1 
ATOM   1390 C  CB  . VAL H  2 2  ? 7.189  49.275 -33.802 1.00 19.84 ?  2   VAL H CB  1 
ATOM   1391 C  CG1 . VAL H  2 2  ? 6.235  49.620 -32.668 1.00 17.79 ?  2   VAL H CG1 1 
ATOM   1392 C  CG2 . VAL H  2 2  ? 8.216  50.379 -33.992 1.00 19.93 ?  2   VAL H CG2 1 
ATOM   1393 N  N   . ASN H  2 3  ? 6.193  46.309 -34.200 1.00 16.75 ?  3   ASN H N   1 
ATOM   1394 C  CA  . ASN H  2 3  ? 5.122  45.355 -33.927 1.00 18.21 ?  3   ASN H CA  1 
ATOM   1395 C  C   . ASN H  2 3  ? 5.655  44.073 -33.302 1.00 15.42 ?  3   ASN H C   1 
ATOM   1396 O  O   . ASN H  2 3  ? 4.956  43.435 -32.506 1.00 14.96 ?  3   ASN H O   1 
ATOM   1397 C  CB  . ASN H  2 3  ? 4.345  45.046 -35.207 1.00 19.47 ?  3   ASN H CB  1 
ATOM   1398 C  CG  . ASN H  2 3  ? 3.070  44.271 -34.941 0.11 21.14 ?  3   ASN H CG  1 
ATOM   1399 O  OD1 . ASN H  2 3  ? 3.070  43.040 -34.922 0.06 23.12 ?  3   ASN H OD1 1 
ATOM   1400 N  ND2 . ASN H  2 3  ? 1.973  44.991 -34.731 0.57 23.09 ?  3   ASN H ND2 1 
ATOM   1401 N  N   . GLN H  2 4  ? 6.880  43.674 -33.650 1.00 17.86 ?  4   GLN H N   1 
ATOM   1402 C  CA  . GLN H  2 4  ? 7.509  42.551 -32.962 1.00 16.14 ?  4   GLN H CA  1 
ATOM   1403 C  C   . GLN H  2 4  ? 7.770  42.880 -31.498 1.00 15.81 ?  4   GLN H C   1 
ATOM   1404 O  O   . GLN H  2 4  ? 7.571  42.033 -30.619 1.00 15.16 ?  4   GLN H O   1 
ATOM   1405 C  CB  . GLN H  2 4  ? 8.811  42.164 -33.661 1.00 21.62 ?  4   GLN H CB  1 
ATOM   1406 C  CG  . GLN H  2 4  ? 9.576  41.053 -32.964 1.00 25.64 ?  4   GLN H CG  1 
ATOM   1407 C  CD  . GLN H  2 4  ? 10.956 40.841 -33.547 1.00 34.51 ?  4   GLN H CD  1 
ATOM   1408 O  OE1 . GLN H  2 4  ? 11.127 40.100 -34.514 1.00 51.69 ?  4   GLN H OE1 1 
ATOM   1409 N  NE2 . GLN H  2 4  ? 11.953 41.493 -32.960 1.00 52.89 ?  4   GLN H NE2 1 
ATOM   1410 N  N   . HIS H  2 5  ? 8.218  44.107 -31.218 1.00 16.40 ?  5   HIS H N   1 
ATOM   1411 C  CA  . HIS H  2 5  ? 8.475  44.508 -29.839 1.00 16.37 ?  5   HIS H CA  1 
ATOM   1412 C  C   . HIS H  2 5  ? 7.196  44.483 -29.012 1.00 15.30 ?  5   HIS H C   1 
ATOM   1413 O  O   . HIS H  2 5  ? 7.206  44.058 -27.851 1.00 14.97 ?  5   HIS H O   1 
ATOM   1414 C  CB  . HIS H  2 5  ? 9.110  45.899 -29.808 1.00 17.45 ?  5   HIS H CB  1 
ATOM   1415 C  CG  . HIS H  2 5  ? 9.691  46.270 -28.480 1.00 24.24 ?  5   HIS H CG  1 
ATOM   1416 N  ND1 . HIS H  2 5  ? 8.913  46.553 -27.378 1.00 29.75 ?  5   HIS H ND1 1 
ATOM   1417 C  CD2 . HIS H  2 5  ? 10.977 46.409 -28.078 1.00 19.41 ?  5   HIS H CD2 1 
ATOM   1418 C  CE1 . HIS H  2 5  ? 9.694  46.846 -26.353 1.00 29.76 ?  5   HIS H CE1 1 
ATOM   1419 N  NE2 . HIS H  2 5  ? 10.951 46.768 -26.752 1.00 34.99 ?  5   HIS H NE2 1 
ATOM   1420 N  N   . LEU H  2 6  ? 6.085  44.944 -29.593 1.00 14.91 ?  6   LEU H N   1 
ATOM   1421 C  CA  . LEU H  2 6  ? 4.809  44.903 -28.886 1.00 15.52 ?  6   LEU H CA  1 
ATOM   1422 C  C   . LEU H  2 6  ? 4.355  43.468 -28.643 1.00 14.61 ?  6   LEU H C   1 
ATOM   1423 O  O   . LEU H  2 6  ? 3.808  43.158 -27.578 1.00 16.96 ?  6   LEU H O   1 
ATOM   1424 C  CB  . LEU H  2 6  ? 3.749  45.679 -29.669 1.00 14.07 ?  6   LEU H CB  1 
ATOM   1425 C  CG  . LEU H  2 6  ? 4.061  47.148 -29.967 1.00 17.60 ?  6   LEU H CG  1 
ATOM   1426 C  CD1 . LEU H  2 6  ? 2.879  47.823 -30.647 1.00 16.38 ?  6   LEU H CD1 1 
ATOM   1427 C  CD2 . LEU H  2 6  ? 4.451  47.892 -28.698 1.00 15.42 ?  6   LEU H CD2 1 
ATOM   1428 N  N   . CYS H  2 7  ? 4.566  42.581 -29.619 1.00 14.20 ?  7   CYS H N   1 
ATOM   1429 C  CA  . CYS H  2 7  ? 4.189  41.182 -29.440 1.00 14.09 ?  7   CYS H CA  1 
ATOM   1430 C  C   . CYS H  2 7  ? 5.010  40.526 -28.336 1.00 12.67 ?  7   CYS H C   1 
ATOM   1431 O  O   . CYS H  2 7  ? 4.486  39.722 -27.557 1.00 14.05 ?  7   CYS H O   1 
ATOM   1432 C  CB  . CYS H  2 7  ? 4.345  40.416 -30.756 1.00 17.18 ?  7   CYS H CB  1 
ATOM   1433 S  SG  . CYS H  2 7  ? 3.987  38.643 -30.629 1.00 12.65 ?  7   CYS H SG  1 
ATOM   1434 N  N   . GLY H  2 8  ? 6.300  40.857 -28.254 1.00 13.40 ?  8   GLY H N   1 
ATOM   1435 C  CA  . GLY H  2 8  ? 7.137  40.290 -27.211 1.00 15.50 ?  8   GLY H CA  1 
ATOM   1436 C  C   . GLY H  2 8  ? 6.698  40.678 -25.814 1.00 16.43 ?  8   GLY H C   1 
ATOM   1437 O  O   . GLY H  2 8  ? 6.828  39.886 -24.877 1.00 15.06 ?  8   GLY H O   1 
ATOM   1438 N  N   . SER H  2 9  ? 6.180  41.899 -25.650 1.00 18.32 ?  9   SER H N   1 
ATOM   1439 C  CA  . SER H  2 9  ? 5.716  42.339 -24.337 1.00 16.73 ?  9   SER H CA  1 
ATOM   1440 C  C   . SER H  2 9  ? 4.563  41.475 -23.841 1.00 16.42 ?  9   SER H C   1 
ATOM   1441 O  O   . SER H  2 9  ? 4.539  41.071 -22.672 1.00 13.25 ?  9   SER H O   1 
ATOM   1442 C  CB  . SER H  2 9  ? 5.299  43.809 -24.392 1.00 13.73 ?  9   SER H CB  1 
ATOM   1443 O  OG  . SER H  2 9  ? 6.360  44.623 -24.859 1.00 34.52 ?  9   SER H OG  1 
ATOM   1444 N  N   . HIS H  2 10 ? 3.596  41.182 -24.713 1.00 11.87 ?  10  HIS H N   1 
ATOM   1445 C  CA  . HIS H  2 10 ? 2.509  40.287 -24.336 1.00 12.48 ?  10  HIS H CA  1 
ATOM   1446 C  C   . HIS H  2 10 ? 2.967  38.840 -24.235 1.00 12.80 ?  10  HIS H C   1 
ATOM   1447 O  O   . HIS H  2 10 ? 2.319  38.043 -23.548 1.00 21.37 ?  10  HIS H O   1 
ATOM   1448 C  CB  . HIS H  2 10 ? 1.360  40.398 -25.339 1.00 11.03 ?  10  HIS H CB  1 
ATOM   1449 C  CG  . HIS H  2 10 ? 0.734  41.756 -25.394 1.00 16.76 ?  10  HIS H CG  1 
ATOM   1450 N  ND1 . HIS H  2 10 ? -0.319 42.123 -24.584 1.00 15.33 ?  10  HIS H ND1 1 
ATOM   1451 C  CD2 . HIS H  2 10 ? 1.013  42.836 -26.161 1.00 13.06 ?  10  HIS H CD2 1 
ATOM   1452 C  CE1 . HIS H  2 10 ? -0.662 43.371 -24.850 1.00 19.73 ?  10  HIS H CE1 1 
ATOM   1453 N  NE2 . HIS H  2 10 ? 0.131  43.826 -25.803 1.00 15.33 ?  10  HIS H NE2 1 
ATOM   1454 N  N   . LEU H  2 11 ? 4.062  38.482 -24.908 1.00 14.09 ?  11  LEU H N   1 
ATOM   1455 C  CA  . LEU H  2 11 ? 4.576  37.120 -24.820 1.00 15.13 ?  11  LEU H CA  1 
ATOM   1456 C  C   . LEU H  2 11 ? 5.088  36.815 -23.418 1.00 12.38 ?  11  LEU H C   1 
ATOM   1457 O  O   . LEU H  2 11 ? 4.707  35.806 -22.813 1.00 15.75 ?  11  LEU H O   1 
ATOM   1458 C  CB  . LEU H  2 11 ? 5.681  36.913 -25.857 1.00 11.76 ?  11  LEU H CB  1 
ATOM   1459 C  CG  . LEU H  2 11 ? 5.407  35.895 -26.965 1.00 16.27 ?  11  LEU H CG  1 
ATOM   1460 C  CD1 . LEU H  2 11 ? 4.041  36.132 -27.586 1.00 19.09 ?  11  LEU H CD1 1 
ATOM   1461 C  CD2 . LEU H  2 11 ? 6.496  35.961 -28.024 1.00 12.74 ?  11  LEU H CD2 1 
ATOM   1462 N  N   . VAL H  2 12 ? 5.940  37.688 -22.875 1.00 11.66 ?  12  VAL H N   1 
ATOM   1463 C  CA  . VAL H  2 12 ? 6.527  37.430 -21.563 1.00 11.86 ?  12  VAL H CA  1 
ATOM   1464 C  C   . VAL H  2 12 ? 5.463  37.466 -20.472 1.00 14.50 ?  12  VAL H C   1 
ATOM   1465 O  O   . VAL H  2 12 ? 5.544  36.711 -19.494 1.00 14.05 ?  12  VAL H O   1 
ATOM   1466 C  CB  . VAL H  2 12 ? 7.673  38.420 -21.281 1.00 12.81 ?  12  VAL H CB  1 
ATOM   1467 C  CG1 . VAL H  2 12 ? 8.790  38.235 -22.295 1.00 13.43 ?  12  VAL H CG1 1 
ATOM   1468 C  CG2 . VAL H  2 12 ? 7.173  39.855 -21.299 1.00 14.43 ?  12  VAL H CG2 1 
ATOM   1469 N  N   . GLU H  2 13 ? 4.458  38.335 -20.608 1.00 13.90 ?  13  GLU H N   1 
ATOM   1470 C  CA  . GLU H  2 13 ? 3.357  38.343 -19.651 1.00 15.46 ?  13  GLU H CA  1 
ATOM   1471 C  C   . GLU H  2 13 ? 2.589  37.028 -19.692 1.00 14.55 ?  13  GLU H C   1 
ATOM   1472 O  O   . GLU H  2 13 ? 2.186  36.501 -18.649 1.00 11.49 ?  13  GLU H O   1 
ATOM   1473 C  CB  . GLU H  2 13 ? 2.426  39.523 -19.929 1.00 14.52 ?  13  GLU H CB  1 
ATOM   1474 C  CG  . GLU H  2 13 ? 2.264  40.479 -18.755 1.00 34.07 ?  13  GLU H CG  1 
ATOM   1475 C  CD  . GLU H  2 13 ? 1.548  39.846 -17.577 0.00 27.15 ?  13  GLU H CD  1 
ATOM   1476 O  OE1 . GLU H  2 13 ? 0.717  38.940 -17.800 1.00 46.62 ?  13  GLU H OE1 1 
ATOM   1477 O  OE2 . GLU H  2 13 ? 1.818  40.252 -16.427 1.00 30.88 -1 13  GLU H OE2 1 
ATOM   1478 N  N   . ALA H  2 14 ? 2.371  36.487 -20.894 1.00 15.31 ?  14  ALA H N   1 
ATOM   1479 C  CA  . ALA H  2 14 ? 1.730  35.182 -21.013 1.00 9.79  ?  14  ALA H CA  1 
ATOM   1480 C  C   . ALA H  2 14 ? 2.593  34.084 -20.402 1.00 10.35 ?  14  ALA H C   1 
ATOM   1481 O  O   . ALA H  2 14 ? 2.081  33.197 -19.709 1.00 14.26 ?  14  ALA H O   1 
ATOM   1482 C  CB  . ALA H  2 14 ? 1.430  34.877 -22.480 1.00 12.68 ?  14  ALA H CB  1 
ATOM   1483 N  N   . LEU H  2 15 ? 3.906  34.127 -20.647 1.00 12.03 ?  15  LEU H N   1 
ATOM   1484 C  CA  . LEU H  2 15 ? 4.801  33.128 -20.069 1.00 13.28 ?  15  LEU H CA  1 
ATOM   1485 C  C   . LEU H  2 15 ? 4.786  33.189 -18.548 1.00 14.24 ?  15  LEU H C   1 
ATOM   1486 O  O   . LEU H  2 15 ? 4.808  32.150 -17.878 1.00 12.16 ?  15  LEU H O   1 
ATOM   1487 C  CB  . LEU H  2 15 ? 6.225  33.321 -20.594 1.00 16.72 ?  15  LEU H CB  1 
ATOM   1488 C  CG  . LEU H  2 15 ? 6.654  32.518 -21.824 1.00 17.95 ?  15  LEU H CG  1 
ATOM   1489 C  CD1 . LEU H  2 15 ? 6.503  31.026 -21.584 1.00 17.52 ?  15  LEU H CD1 1 
ATOM   1490 C  CD2 . LEU H  2 15 ? 5.866  32.934 -23.042 1.00 23.25 ?  15  LEU H CD2 1 
ATOM   1491 N  N   . TYR H  2 16 ? 4.752  34.399 -17.986 1.00 13.69 ?  16  TYR H N   1 
ATOM   1492 C  CA  . TYR H  2 16 ? 4.732  34.545 -16.534 1.00 12.36 ?  16  TYR H CA  1 
ATOM   1493 C  C   . TYR H  2 16 ? 3.518  33.854 -15.927 1.00 13.12 ?  16  TYR H C   1 
ATOM   1494 O  O   . TYR H  2 16 ? 3.629  33.176 -14.898 1.00 15.25 ?  16  TYR H O   1 
ATOM   1495 C  CB  . TYR H  2 16 ? 4.753  36.028 -16.164 1.00 14.10 ?  16  TYR H CB  1 
ATOM   1496 C  CG  . TYR H  2 16 ? 4.640  36.305 -14.681 1.00 12.70 ?  16  TYR H CG  1 
ATOM   1497 C  CD1 . TYR H  2 16 ? 5.744  36.189 -13.848 1.00 15.01 ?  16  TYR H CD1 1 
ATOM   1498 C  CD2 . TYR H  2 16 ? 3.432  36.695 -14.118 1.00 12.28 ?  16  TYR H CD2 1 
ATOM   1499 C  CE1 . TYR H  2 16 ? 5.647  36.445 -12.493 1.00 13.95 ?  16  TYR H CE1 1 
ATOM   1500 C  CE2 . TYR H  2 16 ? 3.325  36.953 -12.764 1.00 17.00 ?  16  TYR H CE2 1 
ATOM   1501 C  CZ  . TYR H  2 16 ? 4.436  36.826 -11.957 1.00 16.97 ?  16  TYR H CZ  1 
ATOM   1502 O  OH  . TYR H  2 16 ? 4.337  37.081 -10.608 1.00 16.14 ?  16  TYR H OH  1 
ATOM   1503 N  N   . LEU H  2 17 ? 2.351  34.009 -16.554 1.00 10.52 ?  17  LEU H N   1 
ATOM   1504 C  CA  . LEU H  2 17 ? 1.138  33.396 -16.023 1.00 12.90 ?  17  LEU H CA  1 
ATOM   1505 C  C   . LEU H  2 17 ? 1.155  31.881 -16.190 1.00 9.66  ?  17  LEU H C   1 
ATOM   1506 O  O   . LEU H  2 17 ? 0.781  31.146 -15.269 1.00 13.14 ?  17  LEU H O   1 
ATOM   1507 C  CB  . LEU H  2 17 ? -0.088 33.998 -16.708 1.00 13.18 ?  17  LEU H CB  1 
ATOM   1508 C  CG  A LEU H  2 17 ? -0.255 35.510 -16.551 0.50 13.99 ?  17  LEU H CG  1 
ATOM   1509 C  CG  B LEU H  2 17 ? -1.453 33.519 -16.210 0.50 14.52 ?  17  LEU H CG  1 
ATOM   1510 C  CD1 A LEU H  2 17 ? -1.483 36.002 -17.302 0.50 16.44 ?  17  LEU H CD1 1 
ATOM   1511 C  CD1 B LEU H  2 17 ? -1.671 33.925 -14.760 0.50 13.49 ?  17  LEU H CD1 1 
ATOM   1512 C  CD2 A LEU H  2 17 ? -0.335 35.883 -15.079 0.50 18.09 ?  17  LEU H CD2 1 
ATOM   1513 C  CD2 B LEU H  2 17 ? -2.567 34.055 -17.096 0.50 14.46 ?  17  LEU H CD2 1 
ATOM   1514 N  N   . VAL H  2 18 ? 1.580  31.394 -17.357 1.00 14.05 ?  18  VAL H N   1 
ATOM   1515 C  CA  . VAL H  2 18 ? 1.506  29.963 -17.640 1.00 12.74 ?  18  VAL H CA  1 
ATOM   1516 C  C   . VAL H  2 18 ? 2.552  29.195 -16.837 1.00 10.03 ?  18  VAL H C   1 
ATOM   1517 O  O   . VAL H  2 18 ? 2.257  28.152 -16.243 1.00 12.43 ?  18  VAL H O   1 
ATOM   1518 C  CB  . VAL H  2 18 ? 1.656  29.708 -19.150 1.00 17.78 ?  18  VAL H CB  1 
ATOM   1519 C  CG1 . VAL H  2 18 ? 1.672  28.214 -19.439 1.00 15.87 ?  18  VAL H CG1 1 
ATOM   1520 C  CG2 . VAL H  2 18 ? 0.530  30.385 -19.911 1.00 19.05 ?  18  VAL H CG2 1 
ATOM   1521 N  N   . CYS H  2 19 ? 3.790  29.696 -16.811 1.00 11.23 ?  19  CYS H N   1 
ATOM   1522 C  CA  . CYS H  2 19 ? 4.875  28.936 -16.195 1.00 15.90 ?  19  CYS H CA  1 
ATOM   1523 C  C   . CYS H  2 19 ? 4.738  28.886 -14.678 1.00 16.75 ?  19  CYS H C   1 
ATOM   1524 O  O   . CYS H  2 19 ? 5.052  27.864 -14.057 1.00 13.97 ?  19  CYS H O   1 
ATOM   1525 C  CB  . CYS H  2 19 ? 6.224  29.529 -16.595 1.00 11.79 ?  19  CYS H CB  1 
ATOM   1526 S  SG  . CYS H  2 19 ? 6.497  29.561 -18.376 1.00 10.78 ?  19  CYS H SG  1 
ATOM   1527 N  N   . GLY H  2 20 ? 4.275  29.972 -14.068 1.00 24.57 ?  20  GLY H N   1 
ATOM   1528 C  CA  . GLY H  2 20 ? 4.085  29.976 -12.626 1.00 25.65 ?  20  GLY H CA  1 
ATOM   1529 C  C   . GLY H  2 20 ? 5.399  29.837 -11.882 1.00 25.72 ?  20  GLY H C   1 
ATOM   1530 O  O   . GLY H  2 20 ? 6.387  30.517 -12.182 1.00 30.86 ?  20  GLY H O   1 
ATOM   1531 N  N   . GLU H  2 21 ? 5.414  28.937 -10.895 1.00 26.76 ?  21  GLU H N   1 
ATOM   1532 C  CA  . GLU H  2 21 ? 6.580  28.776 -10.032 1.00 25.57 ?  21  GLU H CA  1 
ATOM   1533 C  C   . GLU H  2 21 ? 7.789  28.209 -10.765 1.00 24.08 ?  21  GLU H C   1 
ATOM   1534 O  O   . GLU H  2 21 ? 8.916  28.371 -10.287 1.00 27.66 ?  21  GLU H O   1 
ATOM   1535 C  CB  . GLU H  2 21 ? 6.229  27.878 -8.844  1.00 28.03 ?  21  GLU H CB  1 
ATOM   1536 C  CG  . GLU H  2 21 ? 5.116  28.422 -7.963  0.00 30.31 ?  21  GLU H CG  1 
ATOM   1537 C  CD  . GLU H  2 21 ? 4.757  27.482 -6.829  0.04 33.29 ?  21  GLU H CD  1 
ATOM   1538 O  OE1 . GLU H  2 21 ? 5.280  26.348 -6.805  0.49 34.71 ?  21  GLU H OE1 1 
ATOM   1539 O  OE2 . GLU H  2 21 ? 3.952  27.878 -5.959  0.44 35.83 -1 21  GLU H OE2 1 
ATOM   1540 N  N   . ARG H  2 22 ? 7.585  27.546 -11.906 1.00 23.68 ?  22  ARG H N   1 
ATOM   1541 C  CA  . ARG H  2 22 ? 8.710  26.956 -12.624 1.00 23.02 ?  22  ARG H CA  1 
ATOM   1542 C  C   . ARG H  2 22 ? 9.624  28.016 -13.224 1.00 21.32 ?  22  ARG H C   1 
ATOM   1543 O  O   . ARG H  2 22 ? 10.832 27.789 -13.352 1.00 21.22 ?  22  ARG H O   1 
ATOM   1544 C  CB  . ARG H  2 22 ? 8.204  26.016 -13.718 1.00 23.80 ?  22  ARG H CB  1 
ATOM   1545 C  CG  . ARG H  2 22 ? 7.725  24.669 -13.204 1.00 26.15 ?  22  ARG H CG  1 
ATOM   1546 C  CD  . ARG H  2 22 ? 7.146  23.829 -14.328 1.00 32.07 ?  22  ARG H CD  1 
ATOM   1547 N  NE  . ARG H  2 22 ? 5.944  24.433 -14.890 1.00 29.36 ?  22  ARG H NE  1 
ATOM   1548 C  CZ  . ARG H  2 22 ? 5.228  23.903 -15.872 1.00 41.51 ?  22  ARG H CZ  1 
ATOM   1549 N  NH1 . ARG H  2 22 ? 5.570  22.756 -16.436 1.00 45.96 ?  22  ARG H NH1 1 
ATOM   1550 N  NH2 . ARG H  2 22 ? 4.142  24.540 -16.299 1.00 37.41 ?  22  ARG H NH2 1 
ATOM   1551 N  N   . GLY H  2 23 ? 9.076  29.168 -13.599 1.00 22.45 ?  23  GLY H N   1 
ATOM   1552 C  CA  . GLY H  2 23 ? 9.863  30.192 -14.252 1.00 19.39 ?  23  GLY H CA  1 
ATOM   1553 C  C   . GLY H  2 23 ? 10.109 29.860 -15.710 1.00 19.46 ?  23  GLY H C   1 
ATOM   1554 O  O   . GLY H  2 23 ? 9.660  28.843 -16.242 1.00 19.88 ?  23  GLY H O   1 
ATOM   1555 N  N   . PHE H  2 24 ? 10.851 30.744 -16.371 1.00 22.03 ?  24  PHE H N   1 
ATOM   1556 C  CA  . PHE H  2 24 ? 11.100 30.575 -17.795 1.00 19.62 ?  24  PHE H CA  1 
ATOM   1557 C  C   . PHE H  2 24 ? 12.335 31.365 -18.198 1.00 18.66 ?  24  PHE H C   1 
ATOM   1558 O  O   . PHE H  2 24 ? 12.769 32.284 -17.498 1.00 18.36 ?  24  PHE H O   1 
ATOM   1559 C  CB  . PHE H  2 24 ? 9.891  31.016 -18.629 1.00 19.17 ?  24  PHE H CB  1 
ATOM   1560 C  CG  . PHE H  2 24 ? 9.550  32.473 -18.482 1.00 18.89 ?  24  PHE H CG  1 
ATOM   1561 C  CD1 . PHE H  2 24 ? 8.777  32.914 -17.420 1.00 18.98 ?  24  PHE H CD1 1 
ATOM   1562 C  CD2 . PHE H  2 24 ? 9.997  33.400 -19.409 1.00 19.15 ?  24  PHE H CD2 1 
ATOM   1563 C  CE1 . PHE H  2 24 ? 8.460  34.253 -17.283 1.00 19.42 ?  24  PHE H CE1 1 
ATOM   1564 C  CE2 . PHE H  2 24 ? 9.684  34.739 -19.277 1.00 19.49 ?  24  PHE H CE2 1 
ATOM   1565 C  CZ  . PHE H  2 24 ? 8.914  35.166 -18.213 1.00 19.67 ?  24  PHE H CZ  1 
ATOM   1566 N  N   . PHE H  2 25 ? 12.892 30.985 -19.344 1.00 19.49 ?  25  PHE H N   1 
ATOM   1567 C  CA  . PHE H  2 25 ? 13.937 31.738 -20.023 1.00 20.05 ?  25  PHE H CA  1 
ATOM   1568 C  C   . PHE H  2 25 ? 13.332 32.347 -21.279 1.00 24.04 ?  25  PHE H C   1 
ATOM   1569 O  O   . PHE H  2 25 ? 12.789 31.624 -22.121 1.00 27.58 ?  25  PHE H O   1 
ATOM   1570 C  CB  . PHE H  2 25 ? 15.122 30.843 -20.385 1.00 25.28 ?  25  PHE H CB  1 
ATOM   1571 C  CG  . PHE H  2 25 ? 16.099 30.635 -19.265 1.00 25.43 ?  25  PHE H CG  1 
ATOM   1572 C  CD1 . PHE H  2 25 ? 15.797 29.790 -18.210 1.00 28.10 ?  25  PHE H CD1 1 
ATOM   1573 C  CD2 . PHE H  2 25 ? 17.331 31.270 -19.277 1.00 24.44 ?  25  PHE H CD2 1 
ATOM   1574 C  CE1 . PHE H  2 25 ? 16.700 29.593 -17.181 1.00 28.31 ?  25  PHE H CE1 1 
ATOM   1575 C  CE2 . PHE H  2 25 ? 18.238 31.076 -18.254 1.00 28.17 ?  25  PHE H CE2 1 
ATOM   1576 C  CZ  . PHE H  2 25 ? 17.922 30.237 -17.203 1.00 24.26 ?  25  PHE H CZ  1 
ATOM   1577 N  N   . TYR H  2 26 ? 13.419 33.667 -21.404 1.00 20.65 ?  26  TYR H N   1 
ATOM   1578 C  CA  . TYR H  2 26 ? 12.960 34.361 -22.598 1.00 22.46 ?  26  TYR H CA  1 
ATOM   1579 C  C   . TYR H  2 26 ? 14.167 34.697 -23.462 1.00 23.37 ?  26  TYR H C   1 
ATOM   1580 O  O   . TYR H  2 26 ? 15.030 35.480 -23.052 1.00 23.53 ?  26  TYR H O   1 
ATOM   1581 C  CB  . TYR H  2 26 ? 12.181 35.628 -22.246 1.00 21.64 ?  26  TYR H CB  1 
ATOM   1582 C  CG  . TYR H  2 26 ? 11.715 36.395 -23.463 1.00 25.20 ?  26  TYR H CG  1 
ATOM   1583 C  CD1 . TYR H  2 26 ? 10.670 35.922 -24.248 1.00 24.47 ?  26  TYR H CD1 1 
ATOM   1584 C  CD2 . TYR H  2 26 ? 12.324 37.586 -23.834 1.00 24.68 ?  26  TYR H CD2 1 
ATOM   1585 C  CE1 . TYR H  2 26 ? 10.243 36.616 -25.364 1.00 26.72 ?  26  TYR H CE1 1 
ATOM   1586 C  CE2 . TYR H  2 26 ? 11.904 38.288 -24.949 1.00 26.85 ?  26  TYR H CE2 1 
ATOM   1587 C  CZ  . TYR H  2 26 ? 10.863 37.798 -25.710 1.00 27.86 ?  26  TYR H CZ  1 
ATOM   1588 O  OH  . TYR H  2 26 ? 10.441 38.491 -26.821 1.00 35.43 ?  26  TYR H OH  1 
ATOM   1589 N  N   . THR H  2 27 ? 14.231 34.098 -24.645 1.00 25.08 ?  27  THR H N   1 
ATOM   1590 C  CA  . THR H  2 27 ? 15.309 34.349 -25.600 1.00 30.64 ?  27  THR H CA  1 
ATOM   1591 C  C   . THR H  2 27 ? 14.699 34.777 -26.926 1.00 29.48 ?  27  THR H C   1 
ATOM   1592 O  O   . THR H  2 27 ? 14.123 33.927 -27.640 1.00 30.74 ?  27  THR H O   1 
ATOM   1593 C  CB  . THR H  2 27 ? 16.186 33.114 -25.778 1.00 28.55 ?  27  THR H CB  1 
ATOM   1594 O  OG1 . THR H  2 27 ? 15.377 32.008 -26.197 1.00 35.10 ?  27  THR H OG1 1 
ATOM   1595 C  CG2 . THR H  2 27 ? 16.883 32.761 -24.471 1.00 30.01 ?  27  THR H CG2 1 
ATOM   1596 N  N   . PRO H  2 28 ? 14.789 36.046 -27.296 1.00 30.52 ?  28  PRO H N   1 
ATOM   1597 C  CA  . PRO H  2 28 ? 14.202 36.513 -28.553 1.00 34.19 ?  28  PRO H CA  1 
ATOM   1598 C  C   . PRO H  2 28 ? 15.078 36.113 -29.737 1.00 43.39 ?  28  PRO H C   1 
ATOM   1599 O  O   . PRO H  2 28 ? 16.164 35.556 -29.584 1.00 36.93 ?  28  PRO H O   1 
ATOM   1600 C  CB  . PRO H  2 28 ? 14.147 38.037 -28.381 1.00 34.03 ?  28  PRO H CB  1 
ATOM   1601 C  CG  . PRO H  2 28 ? 14.774 38.339 -27.030 1.00 32.12 ?  28  PRO H CG  1 
ATOM   1602 C  CD  . PRO H  2 28 ? 15.518 37.118 -26.603 1.00 33.26 ?  28  PRO H CD  1 
ATOM   1603 N  N   . LYS H  2 29 ? 14.579 36.409 -30.933 1.00 55.91 ?  29  LYS H N   1 
ATOM   1604 C  CA  . LYS H  2 29 ? 15.294 36.098 -32.165 1.00 61.27 ?  29  LYS H CA  1 
ATOM   1605 C  C   . LYS H  2 29 ? 16.588 36.901 -32.265 1.00 61.80 ?  29  LYS H C   1 
ATOM   1606 O  O   . LYS H  2 29 ? 17.557 36.469 -32.889 1.00 67.72 ?  29  LYS H O   1 
ATOM   1607 C  CB  . LYS H  2 29 ? 14.404 36.369 -33.382 0.55 57.48 ?  29  LYS H CB  1 
ATOM   1608 C  CG  . LYS H  2 29 ? 13.999 37.827 -33.551 0.69 62.44 ?  29  LYS H CG  1 
ATOM   1609 C  CD  . LYS H  2 29 ? 14.848 38.524 -34.605 1.00 68.92 ?  29  LYS H CD  1 
ATOM   1610 C  CE  . LYS H  2 29 ? 14.554 40.014 -34.658 0.90 66.68 ?  29  LYS H CE  1 
ATOM   1611 N  NZ  . LYS H  2 29 ? 15.242 40.675 -35.804 0.52 81.94 ?  29  LYS H NZ  1 
ATOM   1612 O  OXT . LYS H  2 29 ? 16.693 38.001 -31.724 1.00 67.31 -1 29  LYS H OXT 1 
HETATM 1613 C  C1  . IPH I  3 .  ? -5.439 36.338 30.560  1.00 20.51 ?  101 IPH B C1  1 
HETATM 1614 C  C2  . IPH I  3 .  ? -5.487 35.628 29.366  1.00 18.17 ?  101 IPH B C2  1 
HETATM 1615 C  C3  . IPH I  3 .  ? -4.972 36.188 28.203  1.00 14.36 ?  101 IPH B C3  1 
HETATM 1616 C  C4  . IPH I  3 .  ? -4.410 37.459 28.234  1.00 15.29 ?  101 IPH B C4  1 
HETATM 1617 C  C5  . IPH I  3 .  ? -4.362 38.169 29.427  1.00 15.92 ?  101 IPH B C5  1 
HETATM 1618 C  C6  . IPH I  3 .  ? -4.876 37.609 30.591  1.00 17.09 ?  101 IPH B C6  1 
HETATM 1619 O  O1  . IPH I  3 .  ? -5.947 35.786 31.707  1.00 11.48 ?  101 IPH B O1  1 
HETATM 1620 ZN ZN  . ZN  J  4 .  ? -0.166 45.646 28.766  0.32 8.68  ?  102 ZN  B ZN  1 
HETATM 1621 CL CL  . CL  K  5 .  ? -0.277 45.724 31.118  0.31 6.22  ?  103 CL  B CL  1 
HETATM 1622 C  C1  . MYR L  6 .  ? 7.524  31.298 36.465  0.44 28.72 ?  104 MYR B C1  1 
HETATM 1623 O  O1  . MYR L  6 .  ? 6.505  31.225 37.186  0.44 23.28 ?  104 MYR B O1  1 
HETATM 1624 C  C2  . MYR L  6 .  ? 8.534  32.398 36.682  0.44 31.62 ?  104 MYR B C2  1 
HETATM 1625 C  C3  . MYR L  6 .  ? 9.148  32.257 38.070  0.44 34.35 ?  104 MYR B C3  1 
HETATM 1626 C  C4  . MYR L  6 .  ? 9.385  33.625 38.697  0.44 33.58 ?  104 MYR B C4  1 
HETATM 1627 C  C5  . MYR L  6 .  ? 8.091  34.430 38.705  0.44 34.90 ?  104 MYR B C5  1 
HETATM 1628 C  C6  . MYR L  6 .  ? 8.219  35.700 39.536  0.44 44.12 ?  104 MYR B C6  1 
HETATM 1629 C  C7  . MYR L  6 .  ? 6.882  36.431 39.581  0.44 44.70 ?  104 MYR B C7  1 
HETATM 1630 C  C8  . MYR L  6 .  ? 6.800  37.380 40.772  0.44 57.02 ?  104 MYR B C8  1 
HETATM 1631 C  C9  . MYR L  6 .  ? 5.352  37.761 41.063  0.44 53.26 ?  104 MYR B C9  1 
HETATM 1632 C  C10 . MYR L  6 .  ? 4.968  39.088 40.424  0.44 53.74 ?  104 MYR B C10 1 
HETATM 1633 C  C11 . MYR L  6 .  ? 5.350  40.251 41.330  0.44 51.13 ?  104 MYR B C11 1 
HETATM 1634 C  C12 . MYR L  6 .  ? 4.968  41.585 40.702  0.44 52.79 ?  104 MYR B C12 1 
HETATM 1635 C  C13 . MYR L  6 .  ? 3.460  41.750 40.571  0.44 50.43 ?  104 MYR B C13 1 
HETATM 1636 C  C14 . MYR L  6 .  ? 3.109  43.174 40.155  0.44 41.68 ?  104 MYR B C14 1 
HETATM 1637 C  C1  . IPH M  3 .  ? 10.270 50.183 11.050  0.91 22.12 ?  101 IPH D C1  1 
HETATM 1638 C  C2  . IPH M  3 .  ? 8.984  49.676 10.897  0.91 24.86 ?  101 IPH D C2  1 
HETATM 1639 C  C3  . IPH M  3 .  ? 8.358  49.038 11.961  0.91 31.97 ?  101 IPH D C3  1 
HETATM 1640 C  C4  . IPH M  3 .  ? 9.017  48.908 13.178  0.91 25.24 ?  101 IPH D C4  1 
HETATM 1641 C  C5  . IPH M  3 .  ? 10.303 49.414 13.331  0.91 16.45 ?  101 IPH D C5  1 
HETATM 1642 C  C6  . IPH M  3 .  ? 10.929 50.052 12.267  0.91 20.60 ?  101 IPH D C6  1 
HETATM 1643 O  O1  . IPH M  3 .  ? 10.887 50.812 10.001  0.91 29.63 ?  101 IPH D O1  1 
HETATM 1644 ZN ZN  . ZN  N  4 .  ? 0.009  45.844 12.947  0.33 27.30 ?  102 ZN  D ZN  1 
HETATM 1645 CL CL  . CL  O  5 .  ? 0.208  45.450 10.403  0.23 22.12 ?  103 CL  D CL  1 
HETATM 1646 C  C1  . MYR P  6 .  ? 13.734 39.966 2.827   0.80 91.84 ?  104 MYR D C1  1 
HETATM 1647 O  O1  . MYR P  6 .  ? 14.668 40.297 2.065   0.80 92.09 ?  104 MYR D O1  1 
HETATM 1648 C  C2  . MYR P  6 .  ? 12.428 39.459 2.264   0.80 89.42 ?  104 MYR D C2  1 
HETATM 1649 C  C3  . MYR P  6 .  ? 12.683 38.201 1.442   0.80 89.70 ?  104 MYR D C3  1 
HETATM 1650 C  C4  . MYR P  6 .  ? 11.381 37.605 0.922   0.80 78.93 ?  104 MYR D C4  1 
HETATM 1651 C  C5  . MYR P  6 .  ? 10.828 38.409 -0.249  0.80 73.77 ?  104 MYR D C5  1 
HETATM 1652 C  C6  . MYR P  6 .  ? 9.558  39.156 0.137   0.80 74.21 ?  104 MYR D C6  1 
HETATM 1653 C  C7  . MYR P  6 .  ? 8.928  39.811 -1.084  0.80 68.07 ?  104 MYR D C7  1 
HETATM 1654 C  C8  . MYR P  6 .  ? 8.513  38.767 -2.114  0.80 67.06 ?  104 MYR D C8  1 
HETATM 1655 C  C9  . MYR P  6 .  ? 7.709  39.419 -3.232  0.80 64.74 ?  104 MYR D C9  1 
HETATM 1656 C  C10 . MYR P  6 .  ? 6.536  40.191 -2.647  0.80 53.09 ?  104 MYR D C10 1 
HETATM 1657 C  C11 . MYR P  6 .  ? 6.093  41.353 -3.528  0.80 47.01 ?  104 MYR D C11 1 
HETATM 1658 C  C12 . MYR P  6 .  ? 4.920  42.095 -2.898  0.80 47.43 ?  104 MYR D C12 1 
HETATM 1659 C  C13 . MYR P  6 .  ? 5.331  43.469 -2.383  0.80 49.33 ?  104 MYR D C13 1 
HETATM 1660 C  C14 . MYR P  6 .  ? 5.621  44.414 -3.544  0.80 63.89 ?  104 MYR D C14 1 
HETATM 1661 C  C1  . IPH Q  3 .  ? -4.319 36.290 -9.376  1.00 29.93 ?  101 IPH F C1  1 
HETATM 1662 C  C2  . IPH Q  3 .  ? -4.520 35.743 -10.638 1.00 26.92 ?  101 IPH F C2  1 
HETATM 1663 C  C3  . IPH Q  3 .  ? -4.102 36.434 -11.769 1.00 26.90 ?  101 IPH F C3  1 
HETATM 1664 C  C4  . IPH Q  3 .  ? -3.481 37.671 -11.637 1.00 23.91 ?  101 IPH F C4  1 
HETATM 1665 C  C5  . IPH Q  3 .  ? -3.279 38.217 -10.375 1.00 23.43 ?  101 IPH F C5  1 
HETATM 1666 C  C6  . IPH Q  3 .  ? -3.697 37.526 -9.244  1.00 23.41 ?  101 IPH F C6  1 
HETATM 1667 O  O1  . IPH Q  3 .  ? -4.731 35.607 -8.262  1.00 29.94 ?  101 IPH F O1  1 
HETATM 1668 ZN ZN  . ZN  R  4 .  ? -0.167 45.611 -11.130 0.33 23.71 ?  102 ZN  F ZN  1 
HETATM 1669 CL CL  . CL  S  5 .  ? -0.230 45.791 -8.802  0.33 12.43 ?  103 CL  F CL  1 
HETATM 1670 C  C1  . MYR T  6 .  ? 8.476  32.156 -3.502  0.42 48.03 ?  104 MYR F C1  1 
HETATM 1671 O  O1  . MYR T  6 .  ? 7.568  31.947 -2.669  0.42 50.92 ?  104 MYR F O1  1 
HETATM 1672 C  C2  . MYR T  6 .  ? 9.422  33.319 -3.326  0.42 48.19 ?  104 MYR F C2  1 
HETATM 1673 C  C3  . MYR T  6 .  ? 10.169 33.162 -2.008  0.42 49.17 ?  104 MYR F C3  1 
HETATM 1674 C  C4  . MYR T  6 .  ? 10.035 34.413 -1.150  0.42 54.24 ?  104 MYR F C4  1 
HETATM 1675 C  C5  . MYR T  6 .  ? 8.573  34.808 -0.984  0.42 58.49 ?  104 MYR F C5  1 
HETATM 1676 C  C6  . MYR T  6 .  ? 8.391  35.695 0.240   0.42 68.09 ?  104 MYR F C6  1 
HETATM 1677 C  C7  . MYR T  6 .  ? 7.010  36.337 0.263   0.42 71.70 ?  104 MYR F C7  1 
HETATM 1678 C  C8  . MYR T  6 .  ? 6.800  37.120 1.554   0.42 66.13 ?  104 MYR F C8  1 
HETATM 1679 C  C9  . MYR T  6 .  ? 5.432  37.789 1.562   0.42 61.84 ?  104 MYR F C9  1 
HETATM 1680 C  C10 . MYR T  6 .  ? 5.410  39.012 0.654   0.42 56.94 ?  104 MYR F C10 1 
HETATM 1681 C  C11 . MYR T  6 .  ? 5.896  40.247 1.403   0.42 57.38 ?  104 MYR F C11 1 
HETATM 1682 C  C12 . MYR T  6 .  ? 5.995  41.449 0.474   0.42 60.74 ?  104 MYR F C12 1 
HETATM 1683 C  C13 . MYR T  6 .  ? 4.632  41.898 -0.039  0.42 57.75 ?  104 MYR F C13 1 
HETATM 1684 C  C14 . MYR T  6 .  ? 4.779  43.007 -1.077  0.42 54.63 ?  104 MYR F C14 1 
HETATM 1685 C  C1  . IPH U  3 .  ? 9.377  51.630 -28.940 0.84 20.92 ?  101 IPH H C1  1 
HETATM 1686 C  C2  . IPH U  3 .  ? 8.076  51.149 -29.028 0.84 23.40 ?  101 IPH H C2  1 
HETATM 1687 C  C3  . IPH U  3 .  ? 7.581  50.305 -28.041 0.84 30.90 ?  101 IPH H C3  1 
HETATM 1688 C  C4  . IPH U  3 .  ? 8.386  49.941 -26.968 0.84 39.15 ?  101 IPH H C4  1 
HETATM 1689 C  C5  . IPH U  3 .  ? 9.687  50.421 -26.879 0.84 26.18 ?  101 IPH H C5  1 
HETATM 1690 C  C6  . IPH U  3 .  ? 10.180 51.265 -27.867 0.84 23.19 ?  101 IPH H C6  1 
HETATM 1691 O  O1  . IPH U  3 .  ? 9.869  52.462 -29.910 0.84 20.36 ?  101 IPH H O1  1 
HETATM 1692 ZN ZN  . ZN  V  4 .  ? -0.014 45.811 -26.952 0.33 17.68 ?  102 ZN  H ZN  1 
HETATM 1693 CL CL  . CL  W  5 .  ? 0.263  45.593 -29.533 0.21 16.13 ?  103 CL  H CL  1 
HETATM 1694 C  C1  . MYR X  6 .  ? 14.401 40.999 -36.914 0.67 89.05 ?  104 MYR H C1  1 
HETATM 1695 O  O1  . MYR X  6 .  ? 15.032 41.414 -37.911 0.67 93.28 ?  104 MYR H O1  1 
HETATM 1696 C  C2  . MYR X  6 .  ? 13.010 40.431 -37.067 0.67 84.80 ?  104 MYR H C2  1 
HETATM 1697 C  C3  . MYR X  6 .  ? 13.068 39.096 -37.803 0.67 83.71 ?  104 MYR H C3  1 
HETATM 1698 C  C4  . MYR X  6 .  ? 11.682 38.469 -37.940 0.67 78.95 ?  104 MYR H C4  1 
HETATM 1699 C  C5  . MYR X  6 .  ? 11.026 38.756 -39.290 0.67 73.77 ?  104 MYR H C5  1 
HETATM 1700 C  C6  . MYR X  6 .  ? 10.329 40.112 -39.317 0.67 74.03 ?  104 MYR H C6  1 
HETATM 1701 C  C7  . MYR X  6 .  ? 8.889  40.005 -39.808 0.67 67.49 ?  104 MYR H C7  1 
HETATM 1702 C  C8  . MYR X  6 .  ? 8.809  39.419 -41.213 0.67 58.36 ?  104 MYR H C8  1 
HETATM 1703 C  C9  . MYR X  6 .  ? 7.373  39.400 -41.726 0.67 53.05 ?  104 MYR H C9  1 
HETATM 1704 C  C10 . MYR X  6 .  ? 6.755  40.794 -41.719 0.67 52.96 ?  104 MYR H C10 1 
HETATM 1705 C  C11 . MYR X  6 .  ? 5.477  40.828 -42.547 0.67 46.02 ?  104 MYR H C11 1 
HETATM 1706 C  C12 . MYR X  6 .  ? 4.774  42.176 -42.442 0.67 45.15 ?  104 MYR H C12 1 
HETATM 1707 C  C13 . MYR X  6 .  ? 5.471  43.246 -43.274 0.67 49.33 ?  104 MYR H C13 1 
HETATM 1708 C  C14 . MYR X  6 .  ? 4.819  44.608 -43.066 0.67 63.89 ?  104 MYR H C14 1 
HETATM 1709 O  O   . HOH Y  7 .  ? 19.209 39.464 31.925  1.00 24.68 ?  101 HOH A O   1 
HETATM 1710 O  O   . HOH Y  7 .  ? 17.691 51.616 27.338  1.00 26.05 ?  102 HOH A O   1 
HETATM 1711 O  O   . HOH Y  7 .  ? 18.124 48.488 33.668  1.00 26.10 ?  103 HOH A O   1 
HETATM 1712 O  O   . HOH Y  7 .  ? 20.324 50.648 26.578  1.00 23.55 ?  104 HOH A O   1 
HETATM 1713 O  O   . HOH Y  7 .  ? 22.832 36.421 21.904  1.00 24.19 ?  105 HOH A O   1 
HETATM 1714 O  O   . HOH Y  7 .  ? 18.950 35.573 33.555  1.00 29.37 ?  106 HOH A O   1 
HETATM 1715 O  O   . HOH Y  7 .  ? 14.726 33.856 30.166  1.00 18.42 ?  107 HOH A O   1 
HETATM 1716 O  O   . HOH Y  7 .  ? 19.465 31.456 20.793  1.00 21.75 ?  108 HOH A O   1 
HETATM 1717 O  O   . HOH Y  7 .  ? 14.441 50.413 28.920  1.00 14.03 ?  109 HOH A O   1 
HETATM 1718 O  O   . HOH Z  7 .  ? 5.214  34.333 30.601  1.00 30.46 ?  201 HOH B O   1 
HETATM 1719 O  O   . HOH Z  7 .  ? 12.864 43.722 14.552  1.00 25.43 ?  202 HOH B O   1 
HETATM 1720 O  O   . HOH Z  7 .  ? 16.730 45.911 15.869  1.00 15.60 ?  203 HOH B O   1 
HETATM 1721 O  O   . HOH Z  7 .  ? -3.125 36.495 39.125  1.00 17.81 ?  204 HOH B O   1 
HETATM 1722 O  O   . HOH Z  7 .  ? 19.635 45.795 19.682  1.00 19.23 ?  205 HOH B O   1 
HETATM 1723 O  O   . HOH Z  7 .  ? 14.008 34.563 27.517  1.00 12.64 ?  206 HOH B O   1 
HETATM 1724 O  O   . HOH Z  7 .  ? 7.322  44.262 18.505  1.00 21.37 ?  207 HOH B O   1 
HETATM 1725 O  O   . HOH Z  7 .  ? -0.000 45.648 40.081  0.33 15.20 ?  208 HOH B O   1 
HETATM 1726 O  O   . HOH AA 7 .  ? 10.166 27.336 19.115  1.00 21.40 ?  101 HOH C O   1 
HETATM 1727 O  O   . HOH AA 7 .  ? -5.752 24.290 12.210  1.00 16.17 ?  102 HOH C O   1 
HETATM 1728 O  O   . HOH AA 7 .  ? 9.974  31.311 6.356   1.00 38.16 ?  103 HOH C O   1 
HETATM 1729 O  O   . HOH AA 7 .  ? -0.311 21.675 16.913  1.00 18.92 ?  104 HOH C O   1 
HETATM 1730 O  O   . HOH AA 7 .  ? -9.289 26.478 17.943  1.00 26.95 ?  105 HOH C O   1 
HETATM 1731 O  O   . HOH AA 7 .  ? 4.434  39.456 4.093   1.00 29.87 ?  106 HOH C O   1 
HETATM 1732 O  O   . HOH BA 7 .  ? 10.401 38.869 11.626  1.00 19.54 ?  201 HOH D O   1 
HETATM 1733 O  O   . HOH BA 7 .  ? 2.291  40.820 4.675   1.00 24.30 ?  202 HOH D O   1 
HETATM 1734 O  O   . HOH BA 7 .  ? -0.871 38.253 17.166  1.00 21.71 ?  203 HOH D O   1 
HETATM 1735 O  O   . HOH CA 7 .  ? 18.000 53.124 -13.099 1.00 38.00 ?  101 HOH E O   1 
HETATM 1736 O  O   . HOH CA 7 .  ? 19.034 42.848 -7.338  1.00 30.86 ?  102 HOH E O   1 
HETATM 1737 O  O   . HOH CA 7 .  ? 20.349 42.883 -8.955  1.00 26.87 ?  103 HOH E O   1 
HETATM 1738 O  O   . HOH CA 7 .  ? 17.463 46.923 -4.116  1.00 26.99 ?  104 HOH E O   1 
HETATM 1739 O  O   . HOH CA 7 .  ? 15.680 35.533 -9.510  1.00 28.85 ?  105 HOH E O   1 
HETATM 1740 O  O   . HOH DA 7 .  ? 22.135 42.418 -30.208 1.00 38.35 ?  201 HOH F O   1 
HETATM 1741 O  O   . HOH DA 7 .  ? 3.338  44.556 -19.474 1.00 31.30 ?  202 HOH F O   1 
HETATM 1742 O  O   . HOH DA 7 .  ? 23.729 41.402 -17.565 1.00 16.83 ?  203 HOH F O   1 
HETATM 1743 O  O   . HOH DA 7 .  ? 14.162 31.283 -15.497 1.00 24.14 ?  204 HOH F O   1 
HETATM 1744 O  O   . HOH DA 7 .  ? 7.251  47.356 -14.790 1.00 20.59 ?  205 HOH F O   1 
HETATM 1745 O  O   . HOH DA 7 .  ? 13.354 35.328 -7.437  1.00 28.69 ?  206 HOH F O   1 
HETATM 1746 O  O   . HOH DA 7 .  ? 7.244  45.600 -21.316 1.00 9.42  ?  207 HOH F O   1 
HETATM 1747 O  O   . HOH DA 7 .  ? -0.000 45.648 0.600   0.33 33.43 ?  208 HOH F O   1 
HETATM 1748 O  O   . HOH DA 7 .  ? 1.040  46.685 -18.076 1.00 39.25 ?  209 HOH F O   1 
HETATM 1749 O  O   . HOH DA 7 .  ? -0.000 45.648 -19.998 0.33 38.89 ?  210 HOH F O   1 
HETATM 1750 O  O   . HOH EA 7 .  ? 4.373  21.599 -23.159 1.00 20.77 ?  101 HOH G O   1 
HETATM 1751 O  O   . HOH EA 7 .  ? -3.843 24.726 -27.603 1.00 18.69 ?  102 HOH G O   1 
HETATM 1752 O  O   . HOH EA 7 .  ? 12.443 28.322 -20.228 1.00 19.34 ?  103 HOH G O   1 
HETATM 1753 O  O   . HOH EA 7 .  ? 12.246 33.276 -33.127 1.00 33.98 ?  104 HOH G O   1 
HETATM 1754 O  O   . HOH EA 7 .  ? 7.671  22.683 -20.446 1.00 24.06 ?  105 HOH G O   1 
HETATM 1755 O  O   . HOH EA 7 .  ? 12.473 33.859 -30.902 1.00 20.40 ?  106 HOH G O   1 
HETATM 1756 O  O   . HOH EA 7 .  ? 12.609 31.272 -27.701 1.00 13.76 ?  107 HOH G O   1 
HETATM 1757 O  O   . HOH EA 7 .  ? -8.013 25.366 -22.029 1.00 21.74 ?  108 HOH G O   1 
HETATM 1758 O  O   . HOH EA 7 .  ? 2.279  27.832 -33.571 1.00 22.99 ?  109 HOH G O   1 
HETATM 1759 O  O   . HOH FA 7 .  ? 1.631  41.250 -34.813 1.00 23.36 ?  201 HOH H O   1 
HETATM 1760 O  O   . HOH FA 7 .  ? 8.464  49.172 -37.038 1.00 26.17 ?  202 HOH H O   1 
HETATM 1761 O  O   . HOH FA 7 .  ? 12.071 32.112 -25.144 1.00 14.70 ?  203 HOH H O   1 
HETATM 1762 O  O   . HOH FA 7 .  ? -0.000 45.648 -22.234 0.33 34.57 ?  204 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  ? 0.2201 0.4177 0.4352 0.0413  0.0004  0.2117  1  GLY A N   
2    C CA  . GLY A 1  ? 0.1561 0.3212 0.3774 0.0365  0.0176  0.1936  1  GLY A CA  
3    C C   . GLY A 1  ? 0.1403 0.3006 0.3557 0.0299  0.0127  0.1782  1  GLY A C   
4    O O   . GLY A 1  ? 0.1530 0.3366 0.3626 0.0299  -0.0060 0.1813  1  GLY A O   
5    N N   . ILE A 2  ? 0.1210 0.2492 0.3315 0.0254  0.0262  0.1616  2  ILE A N   
6    C CA  . ILE A 2  ? 0.1104 0.2280 0.3122 0.0231  0.0256  0.1439  2  ILE A CA  
7    C C   . ILE A 2  ? 0.1153 0.2440 0.3072 0.0291  0.0349  0.1499  2  ILE A C   
8    O O   . ILE A 2  ? 0.1157 0.2567 0.3115 0.0269  0.0379  0.1408  2  ILE A O   
9    C CB  . ILE A 2  ? 0.1084 0.1897 0.2903 0.0221  0.0321  0.1234  2  ILE A CB  
10   C CG1 . ILE A 2  ? 0.0953 0.1706 0.2726 0.0211  0.0330  0.1086  2  ILE A CG1 
11   C CG2 . ILE A 2  ? 0.0982 0.1641 0.2626 0.0254  0.0383  0.1163  2  ILE A CG2 
12   C CD1 . ILE A 2  ? 0.0930 0.1470 0.2646 0.0228  0.0386  0.1067  2  ILE A CD1 
13   N N   . VAL A 3  ? 0.1239 0.2513 0.3030 0.0370  0.0430  0.1623  3  VAL A N   
14   C CA  . VAL A 3  ? 0.1397 0.2741 0.2916 0.0456  0.0552  0.1641  3  VAL A CA  
15   C C   . VAL A 3  ? 0.1908 0.3271 0.2952 0.0462  0.0449  0.1729  3  VAL A C   
16   O O   . VAL A 3  ? 0.2684 0.3853 0.3239 0.0488  0.0513  0.1576  3  VAL A O   
17   C CB  . VAL A 3  ? 0.1458 0.2794 0.2985 0.0517  0.0582  0.1655  3  VAL A CB  
18   C CG1 . VAL A 3  ? 0.2687 0.4179 0.4463 0.0497  0.0544  0.1820  3  VAL A CG1 
19   C CG2 . VAL A 3  ? 0.2131 0.3446 0.3230 0.0584  0.0676  0.1682  3  VAL A CG2 
20   N N   . GLU A 4  ? 0.2059 0.3609 0.3161 0.0474  0.0228  0.1855  4  GLU A N   
21   C CA  . GLU A 4  ? 0.2621 0.4251 0.3206 0.0488  0.0019  0.1808  4  GLU A CA  
22   C C   . GLU A 4  ? 0.2838 0.4381 0.3320 0.0300  -0.0204 0.1503  4  GLU A C   
23   O O   . GLU A 4  ? 0.5282 0.6773 0.5199 0.0262  -0.0386 0.1351  4  GLU A O   
24   C CB  . GLU A 4  ? 0.2699 0.4696 0.3432 0.0567  -0.0129 0.2101  4  GLU A CB  
25   C CG  . GLU A 4  ? 0.3581 0.5566 0.4399 0.0682  0.0098  0.2261  4  GLU A CG  
26   C CD  . GLU A 4  ? 0.2279 0.4155 0.3669 0.0610  0.0243  0.2249  4  GLU A CD  
27   O OE1 . GLU A 4  ? 0.1989 0.3790 0.3654 0.0521  0.0215  0.2140  4  GLU A OE1 
28   O OE2 . GLU A 4  ? 0.3837 0.5709 0.5375 0.0650  0.0373  0.2341  4  GLU A OE2 
29   N N   . GLN A 5  ? 0.2411 0.3946 0.3421 0.0180  -0.0206 0.1418  5  GLN A N   
30   C CA  . GLN A 5  ? 0.2600 0.4093 0.3670 -0.0035 -0.0436 0.1202  5  GLN A CA  
31   C C   . GLN A 5  ? 0.2587 0.3690 0.3634 -0.0088 -0.0243 0.0955  5  GLN A C   
32   O O   . GLN A 5  ? 0.3058 0.3906 0.3888 -0.0269 -0.0402 0.0715  5  GLN A O   
33   C CB  . GLN A 5  ? 0.2179 0.4087 0.3959 -0.0103 -0.0608 0.1391  5  GLN A CB  
34   C CG  . GLN A 5  ? 0.3583 0.5924 0.5407 -0.0044 -0.0798 0.1683  5  GLN A CG  
35   C CD  . GLN A 5  ? 0.4767 0.7368 0.7087 -0.0080 -0.0870 0.1837  5  GLN A CD  
36   O OE1 . GLN A 5  ? 0.4602 0.7036 0.7164 -0.0146 -0.0805 0.1714  5  GLN A OE1 
37   N NE2 . GLN A 5  ? 0.4721 0.7525 0.6969 -0.0015 -0.0877 0.2034  5  GLN A NE2 
38   N N   . CYS A 6  ? 0.2118 0.3177 0.3387 0.0052  0.0098  0.1020  6  CYS A N   
39   C CA  . CYS A 6  ? 0.2016 0.2841 0.3375 0.0046  0.0341  0.0871  6  CYS A CA  
40   C C   . CYS A 6  ? 0.2428 0.2964 0.3233 0.0214  0.0679  0.0854  6  CYS A C   
41   O O   . CYS A 6  ? 0.2507 0.2802 0.3262 0.0247  0.0923  0.0749  6  CYS A O   
42   C CB  . CYS A 6  ? 0.1228 0.2403 0.3372 0.0087  0.0481  0.0999  6  CYS A CB  
43   S SG  . CYS A 6  ? 0.1083 0.2476 0.3689 -0.0026 0.0133  0.1030  6  CYS A SG  
44   N N   . CYS A 7  ? 0.1886 0.2260 0.2676 0.0068  -0.0509 -0.0490 7  CYS A N   
45   C CA  . CYS A 7  ? 0.1722 0.2180 0.2511 -0.0120 -0.0401 -0.0584 7  CYS A CA  
46   C C   . CYS A 7  ? 0.2944 0.3553 0.3601 -0.0452 -0.0289 -0.0538 7  CYS A C   
47   O O   . CYS A 7  ? 0.2503 0.3252 0.3157 -0.0541 -0.0128 -0.0642 7  CYS A O   
48   C CB  . CYS A 7  ? 0.2234 0.2561 0.3120 -0.0198 -0.0524 -0.0629 7  CYS A CB  
49   S SG  . CYS A 7  ? 0.1267 0.1592 0.2363 0.0207  -0.0611 -0.0842 7  CYS A SG  
50   N N   . THR A 8  ? 0.2921 0.3477 0.3414 -0.0542 -0.0378 -0.0371 8  THR A N   
51   C CA  . THR A 8  ? 0.3158 0.3906 0.3468 -0.0803 -0.0288 -0.0353 8  THR A CA  
52   C C   . THR A 8  ? 0.2175 0.3111 0.2636 -0.0670 -0.0139 -0.0466 8  THR A C   
53   O O   . THR A 8  ? 0.2741 0.3821 0.3129 -0.0750 0.0005  -0.0539 8  THR A O   
54   C CB  . THR A 8  ? 0.4720 0.5264 0.4701 -0.0933 -0.0530 -0.0121 8  THR A CB  
55   O OG1 . THR A 8  ? 0.3551 0.4149 0.3671 -0.0704 -0.0655 -0.0143 8  THR A OG1 
56   C CG2 . THR A 8  ? 0.6026 0.6127 0.5921 -0.0918 -0.0744 0.0051  8  THR A CG2 
57   N N   . SER A 9  ? 0.2237 0.3165 0.2906 -0.0470 -0.0155 -0.0502 9  SER A N   
58   C CA  . SER A 9  ? 0.1918 0.2949 0.2768 -0.0408 0.0026  -0.0609 9  SER A CA  
59   C C   . SER A 9  ? 0.1565 0.2413 0.2478 -0.0177 0.0110  -0.0602 9  SER A C   
60   O O   . SER A 9  ? 0.1217 0.1953 0.2069 -0.0017 -0.0001 -0.0541 9  SER A O   
61   C CB  . SER A 9  ? 0.1300 0.2466 0.2224 -0.0429 -0.0017 -0.0620 9  SER A CB  
62   O OG  . SER A 9  ? 0.4792 0.5950 0.5812 -0.0291 -0.0192 -0.0592 9  SER A OG  
63   N N   . ILE A 10 ? 0.1181 0.1951 0.2164 -0.0154 0.0293  -0.0657 10 ILE A N   
64   C CA  . ILE A 10 ? 0.1285 0.1769 0.2123 0.0050  0.0383  -0.0583 10 ILE A CA  
65   C C   . ILE A 10 ? 0.1522 0.2080 0.2382 0.0082  0.0469  -0.0535 10 ILE A C   
66   O O   . ILE A 10 ? 0.2019 0.2760 0.3106 -0.0066 0.0585  -0.0601 10 ILE A O   
67   C CB  . ILE A 10 ? 0.1412 0.1637 0.2251 0.0045  0.0521  -0.0605 10 ILE A CB  
68   C CG1 . ILE A 10 ? 0.1706 0.1981 0.2649 0.0053  0.0403  -0.0780 10 ILE A CG1 
69   C CG2 . ILE A 10 ? 0.1858 0.1663 0.2349 0.0241  0.0599  -0.0446 10 ILE A CG2 
70   C CD1 . ILE A 10 ? 0.1758 0.1738 0.2791 0.0101  0.0445  -0.0865 10 ILE A CD1 
71   N N   . CYS A 11 ? 0.1122 0.1626 0.1814 0.0279  0.0411  -0.0498 11 CYS A N   
72   C CA  . CYS A 11 ? 0.1198 0.1885 0.1950 0.0323  0.0511  -0.0544 11 CYS A CA  
73   C C   . CYS A 11 ? 0.2008 0.2475 0.2452 0.0322  0.0809  -0.0445 11 CYS A C   
74   O O   . CYS A 11 ? 0.2372 0.2507 0.2411 0.0485  0.0785  -0.0328 11 CYS A O   
75   C CB  . CYS A 11 ? 0.1140 0.1929 0.1895 0.0530  0.0277  -0.0608 11 CYS A CB  
76   S SG  . CYS A 11 ? 0.0942 0.1898 0.2026 0.0497  -0.0062 -0.0693 11 CYS A SG  
77   N N   . SER A 12 ? 0.2121 0.2757 0.2734 0.0129  0.1082  -0.0501 12 SER A N   
78   C CA  . SER A 12 ? 0.2349 0.2732 0.2594 0.0035  0.1430  -0.0367 12 SER A CA  
79   C C   . SER A 12 ? 0.2764 0.3260 0.2639 0.0232  0.1450  -0.0375 12 SER A C   
80   O O   . SER A 12 ? 0.2264 0.3103 0.2341 0.0433  0.1198  -0.0554 12 SER A O   
81   C CB  . SER A 12 ? 0.2507 0.3094 0.3072 -0.0259 0.1594  -0.0451 12 SER A CB  
82   O OG  . SER A 12 ? 0.4759 0.5079 0.4940 -0.0416 0.1933  -0.0298 12 SER A OG  
83   N N   . LEU A 13 ? 0.2722 0.2064 0.2924 -0.0814 0.0254  0.0017  13 LEU A N   
84   C CA  . LEU A 13 ? 0.2947 0.2640 0.3138 -0.0854 0.0392  0.0089  13 LEU A CA  
85   C C   . LEU A 13 ? 0.2648 0.2846 0.3161 -0.0956 0.0473  -0.0036 13 LEU A C   
86   O O   . LEU A 13 ? 0.2156 0.2693 0.2681 -0.0882 0.0554  -0.0072 13 LEU A O   
87   C CB  . LEU A 13 ? 0.3433 0.2899 0.3401 -0.1015 0.0474  0.0304  13 LEU A CB  
88   C CG  . LEU A 13 ? 0.3901 0.2959 0.3513 -0.0871 0.0413  0.0456  13 LEU A CG  
89   C CD1 . LEU A 13 ? 0.3492 0.2752 0.3057 -0.0628 0.0381  0.0405  13 LEU A CD1 
90   C CD2 . LEU A 13 ? 0.5213 0.3754 0.4730 -0.0814 0.0281  0.0462  13 LEU A CD2 
91   N N   . TYR A 14 ? 0.2414 0.2666 0.3198 -0.1113 0.0437  -0.0112 14 TYR A N   
92   C CA  . TYR A 14 ? 0.2393 0.3164 0.3548 -0.1183 0.0498  -0.0243 14 TYR A CA  
93   C C   . TYR A 14 ? 0.1792 0.2741 0.3040 -0.0957 0.0400  -0.0431 14 TYR A C   
94   O O   . TYR A 14 ? 0.1565 0.2935 0.2986 -0.0907 0.0471  -0.0525 14 TYR A O   
95   C CB  . TYR A 14 ? 0.2399 0.3199 0.3873 -0.1420 0.0452  -0.0272 14 TYR A CB  
96   C CG  . TYR A 14 ? 0.2129 0.3474 0.4023 -0.1432 0.0474  -0.0406 14 TYR A CG  
97   C CD1 . TYR A 14 ? 0.2266 0.3986 0.4259 -0.1469 0.0652  -0.0326 14 TYR A CD1 
98   C CD2 . TYR A 14 ? 0.2067 0.3445 0.4128 -0.1309 0.0281  -0.0571 14 TYR A CD2 
99   C CE1 . TYR A 14 ? 0.2115 0.4233 0.4409 -0.1394 0.0645  -0.0417 14 TYR A CE1 
100  C CE2 . TYR A 14 ? 0.2380 0.4145 0.4707 -0.1241 0.0265  -0.0645 14 TYR A CE2 
101  C CZ  . TYR A 14 ? 0.2367 0.4504 0.4832 -0.1286 0.0449  -0.0573 14 TYR A CZ  
102  O OH  . TYR A 14 ? 0.2197 0.4689 0.4931 -0.1209 0.0438  -0.0651 14 TYR A OH  
103  N N   . GLN A 15 ? 0.2553 0.3163 0.3664 -0.0812 0.0245  -0.0487 15 GLN A N   
104  C CA  . GLN A 15 ? 0.1880 0.2600 0.3027 -0.0608 0.0160  -0.0639 15 GLN A CA  
105  C C   . GLN A 15 ? 0.1273 0.2143 0.2281 -0.0461 0.0237  -0.0613 15 GLN A C   
106  O O   . GLN A 15 ? 0.1515 0.2639 0.2632 -0.0357 0.0223  -0.0733 15 GLN A O   
107  C CB  . GLN A 15 ? 0.2561 0.2857 0.3527 -0.0485 0.0013  -0.0681 15 GLN A CB  
108  C CG  . GLN A 15 ? 0.2348 0.2491 0.3442 -0.0595 -0.0125 -0.0769 15 GLN A CG  
109  C CD  . GLN A 15 ? 0.3549 0.3329 0.4428 -0.0422 -0.0273 -0.0862 15 GLN A CD  
110  O OE1 . GLN A 15 ? 0.3727 0.3062 0.4345 -0.0384 -0.0313 -0.0813 15 GLN A OE1 
111  N NE2 . GLN A 15 ? 0.3989 0.3935 0.4925 -0.0294 -0.0341 -0.0975 15 GLN A NE2 
112  N N   . LEU A 16 ? 0.1757 0.2448 0.2519 -0.0448 0.0294  -0.0462 16 LEU A N   
113  C CA  . LEU A 16 ? 0.1270 0.2098 0.1906 -0.0332 0.0337  -0.0438 16 LEU A CA  
114  C C   . LEU A 16 ? 0.1216 0.2435 0.1949 -0.0393 0.0450  -0.0484 16 LEU A C   
115  O O   . LEU A 16 ? 0.1073 0.2450 0.1758 -0.0279 0.0451  -0.0545 16 LEU A O   
116  C CB  . LEU A 16 ? 0.1479 0.2047 0.1848 -0.0310 0.0349  -0.0263 16 LEU A CB  
117  C CG  . LEU A 16 ? 0.2168 0.2444 0.2422 -0.0148 0.0257  -0.0226 16 LEU A CG  
118  C CD1 . LEU A 16 ? 0.1995 0.2301 0.2369 -0.0031 0.0190  -0.0370 16 LEU A CD1 
119  C CD2 . LEU A 16 ? 0.2177 0.2060 0.2299 -0.0189 0.0231  -0.0120 16 LEU A CD2 
120  N N   . GLU A 17 ? 0.1752 0.3129 0.2626 -0.0572 0.0551  -0.0458 17 GLU A N   
121  C CA  . GLU A 17 ? 0.1687 0.3467 0.2657 -0.0618 0.0699  -0.0503 17 GLU A CA  
122  C C   . GLU A 17 ? 0.1189 0.3094 0.2293 -0.0457 0.0596  -0.0661 17 GLU A C   
123  O O   . GLU A 17 ? 0.1257 0.3293 0.2294 -0.0389 0.0638  -0.0685 17 GLU A O   
124  C CB  . GLU A 17 ? 0.1617 0.3502 0.2730 -0.0839 0.0823  -0.0412 17 GLU A CB  
125  C CG  . GLU A 17 ? 0.3177 0.4753 0.4034 -0.0995 0.0888  -0.0199 17 GLU A CG  
126  C CD  . GLU A 17 ? 0.2410 0.4147 0.3333 -0.1204 0.1070  -0.0081 17 GLU A CD  
127  O OE1 . GLU A 17 ? 0.2519 0.4573 0.3592 -0.1138 0.1139  -0.0145 17 GLU A OE1 
128  O OE2 . GLU A 17 ? 0.4199 0.5655 0.4984 -0.1394 0.1113  0.0095  17 GLU A OE2 
129  N N   . ASN A 18 ? 0.1039 0.2844 0.2274 -0.0395 0.0454  -0.0758 18 ASN A N   
130  C CA  . ASN A 18 ? 0.1307 0.3127 0.2571 -0.0256 0.0347  -0.0879 18 ASN A CA  
131  C C   . ASN A 18 ? 0.1070 0.2781 0.2096 -0.0119 0.0291  -0.0890 18 ASN A C   
132  O O   . ASN A 18 ? 0.1082 0.2819 0.2101 -0.0043 0.0229  -0.0967 18 ASN A O   
133  C CB  . ASN A 18 ? 0.1179 0.2843 0.2538 -0.0214 0.0208  -0.0962 18 ASN A CB  
134  C CG  . ASN A 18 ? 0.1129 0.2886 0.2756 -0.0358 0.0200  -0.0966 18 ASN A CG  
135  O OD1 . ASN A 18 ? 0.1417 0.3411 0.3209 -0.0468 0.0294  -0.0927 18 ASN A OD1 
136  N ND2 . ASN A 18 ? 0.1639 0.3181 0.3295 -0.0361 0.0072  -0.1002 18 ASN A ND2 
137  N N   . TYR A 19 ? 0.0868 0.2460 0.1723 -0.0098 0.0300  -0.0810 19 TYR A N   
138  C CA  . TYR A 19 ? 0.0904 0.2393 0.1581 0.0000  0.0224  -0.0800 19 TYR A CA  
139  C C   . TYR A 19 ? 0.0963 0.2575 0.1508 -0.0010 0.0317  -0.0758 19 TYR A C   
140  O O   . TYR A 19 ? 0.0954 0.2498 0.1363 0.0056  0.0255  -0.0748 19 TYR A O   
141  C CB  . TYR A 19 ? 0.1186 0.2459 0.1785 0.0052  0.0148  -0.0742 19 TYR A CB  
142  C CG  . TYR A 19 ? 0.0795 0.1921 0.1464 0.0071  0.0066  -0.0779 19 TYR A CG  
143  C CD1 . TYR A 19 ? 0.0773 0.1815 0.1419 0.0112  -0.0049 -0.0811 19 TYR A CD1 
144  C CD2 . TYR A 19 ? 0.0662 0.1754 0.1429 0.0043  0.0103  -0.0789 19 TYR A CD2 
145  C CE1 . TYR A 19 ? 0.1344 0.2272 0.2026 0.0133  -0.0117 -0.0816 19 TYR A CE1 
146  C CE2 . TYR A 19 ? 0.1218 0.2173 0.2032 0.0079  0.0014  -0.0844 19 TYR A CE2 
147  C CZ  . TYR A 19 ? 0.1143 0.2041 0.1910 0.0121  -0.0101 -0.0844 19 TYR A CZ  
148  O OH  . TYR A 19 ? 0.1592 0.2388 0.2388 0.0171  -0.0174 -0.0829 19 TYR A OH  
149  N N   . CYS A 20 ? 0.1423 0.3211 0.1995 -0.0099 0.0466  -0.0729 20 CYS A N   
150  C CA  . CYS A 20 ? 0.1796 0.3676 0.2176 -0.0100 0.0568  -0.0694 20 CYS A CA  
151  C C   . CYS A 20 ? 0.1608 0.3588 0.2023 -0.0017 0.0549  -0.0799 20 CYS A C   
152  O O   . CYS A 20 ? 0.1861 0.3902 0.2475 0.0005  0.0499  -0.0879 20 CYS A O   
153  C CB  . CYS A 20 ? 0.1580 0.3573 0.1934 -0.0246 0.0758  -0.0586 20 CYS A CB  
154  S SG  . CYS A 20 ? 0.1616 0.3457 0.1870 -0.0381 0.0799  -0.0431 20 CYS A SG  
155  N N   . ASN A 21 ? 0.1604 0.3587 0.1795 0.0036  0.0587  -0.0802 21 ASN A N   
156  C CA  . ASN A 21 ? 0.1857 0.3927 0.2046 0.0125  0.0595  -0.0902 21 ASN A CA  
157  C C   . ASN A 21 ? 0.1960 0.4264 0.2261 0.0081  0.0786  -0.0902 21 ASN A C   
158  O O   . ASN A 21 ? 0.2355 0.4790 0.2785 0.0151  0.0801  -0.0996 21 ASN A O   
159  C CB  . ASN A 21 ? 0.1952 0.3915 0.1830 0.0200  0.0577  -0.0915 21 ASN A CB  
160  C CG  . ASN A 21 ? 0.2364 0.4149 0.2217 0.0253  0.0380  -0.0931 21 ASN A CG  
161  O OD1 . ASN A 21 ? 0.2449 0.4180 0.2489 0.0235  0.0278  -0.0915 21 ASN A OD1 
162  N ND2 . ASN A 21 ? 0.3110 0.4788 0.2721 0.0317  0.0329  -0.0960 21 ASN A ND2 
163  O OXT . ASN A 21 ? 0.2079 0.4454 0.2358 -0.0031 0.0936  -0.0796 21 ASN A OXT 
164  N N   . PHE B 1  ? 0.3724 0.4010 0.1930 0.0449  0.0053  -0.0255 1  PHE B N   
165  C CA  . PHE B 1  ? 0.3210 0.3508 0.1472 0.0428  0.0052  -0.0412 1  PHE B CA  
166  C C   . PHE B 1  ? 0.2868 0.3226 0.1457 0.0478  0.0100  -0.0453 1  PHE B C   
167  O O   . PHE B 1  ? 0.2716 0.3104 0.1518 0.0500  0.0027  -0.0393 1  PHE B O   
168  C CB  . PHE B 1  ? 0.4262 0.4580 0.2418 0.0411  -0.0118 -0.0452 1  PHE B CB  
169  C CG  . PHE B 1  ? 0.4774 0.5044 0.2820 0.0331  -0.0080 -0.0623 1  PHE B CG  
170  C CD1 . PHE B 1  ? 0.4215 0.4440 0.2417 0.0343  0.0078  -0.0742 1  PHE B CD1 
171  C CD2 . PHE B 1  ? 0.7418 0.7689 0.5216 0.0233  -0.0191 -0.0655 1  PHE B CD2 
172  C CE1 . PHE B 1  ? 0.6267 0.6402 0.4381 0.0275  0.0152  -0.0907 1  PHE B CE1 
173  C CE2 . PHE B 1  ? 0.7624 0.7809 0.5289 0.0138  -0.0127 -0.0835 1  PHE B CE2 
174  C CZ  . PHE B 1  ? 0.8426 0.8521 0.6252 0.0166  0.0059  -0.0969 1  PHE B CZ  
175  N N   . VAL B 2  ? 0.2765 0.3133 0.1456 0.0470  0.0226  -0.0523 2  VAL B N   
176  C CA  . VAL B 2  ? 0.2699 0.3169 0.1699 0.0521  0.0268  -0.0527 2  VAL B CA  
177  C C   . VAL B 2  ? 0.1972 0.2422 0.1141 0.0544  0.0178  -0.0579 2  VAL B C   
178  O O   . VAL B 2  ? 0.1743 0.2260 0.1159 0.0565  0.0140  -0.0519 2  VAL B O   
179  C CB  . VAL B 2  ? 0.2756 0.3255 0.1877 0.0513  0.0415  -0.0551 2  VAL B CB  
180  C CG1 . VAL B 2  ? 0.2397 0.3058 0.1861 0.0569  0.0440  -0.0505 2  VAL B CG1 
181  C CG2 . VAL B 2  ? 0.2862 0.3342 0.1872 0.0445  0.0490  -0.0487 2  VAL B CG2 
182  N N   . ASN B 3  ? 0.2389 0.2750 0.1416 0.0519  0.0152  -0.0698 3  ASN B N   
183  C CA  . ASN B 3  ? 0.2672 0.3000 0.1868 0.0520  0.0082  -0.0767 3  ASN B CA  
184  C C   . ASN B 3  ? 0.2459 0.2829 0.1744 0.0520  -0.0074 -0.0674 3  ASN B C   
185  O O   . ASN B 3  ? 0.2320 0.2705 0.1859 0.0538  -0.0110 -0.0671 3  ASN B O   
186  C CB  . ASN B 3  ? 0.4030 0.4262 0.3005 0.0452  0.0085  -0.0939 3  ASN B CB  
187  C CG  . ASN B 3  ? 0.5605 0.5764 0.4817 0.0453  0.0142  -0.1068 3  ASN B CG  
188  O OD1 . ASN B 3  ? 0.5074 0.5131 0.4213 0.0412  0.0269  -0.1233 3  ASN B OD1 
189  N ND2 . ASN B 3  ? 0.5320 0.5515 0.4828 0.0492  0.0072  -0.0996 3  ASN B ND2 
190  N N   . GLN B 4  ? 0.2542 0.2927 0.1648 0.0504  -0.0152 -0.0586 4  GLN B N   
191  C CA  . GLN B 4  ? 0.2033 0.2458 0.1285 0.0518  -0.0264 -0.0482 4  GLN B CA  
192  C C   . GLN B 4  ? 0.2242 0.2709 0.1735 0.0545  -0.0193 -0.0410 4  GLN B C   
193  O O   . GLN B 4  ? 0.1513 0.2005 0.1224 0.0551  -0.0240 -0.0384 4  GLN B O   
194  C CB  . GLN B 4  ? 0.2554 0.2979 0.1611 0.0510  -0.0333 -0.0372 4  GLN B CB  
195  C CG  . GLN B 4  ? 0.2032 0.2488 0.1299 0.0539  -0.0414 -0.0250 4  GLN B CG  
196  C CD  . GLN B 4  ? 0.2630 0.3079 0.1771 0.0553  -0.0455 -0.0099 4  GLN B CD  
197  O OE1 . GLN B 4  ? 0.3981 0.4429 0.3324 0.0590  -0.0467 0.0019  4  GLN B OE1 
198  N NE2 . GLN B 4  ? 0.3129 0.3565 0.1948 0.0524  -0.0458 -0.0094 4  GLN B NE2 
199  N N   . HIS B 5  ? 0.1722 0.2214 0.1170 0.0543  -0.0076 -0.0382 5  HIS B N   
200  C CA  . HIS B 5  ? 0.1951 0.2525 0.1584 0.0531  -0.0014 -0.0325 5  HIS B CA  
201  C C   . HIS B 5  ? 0.1458 0.2100 0.1320 0.0547  -0.0011 -0.0342 5  HIS B C   
202  O O   . HIS B 5  ? 0.1497 0.2198 0.1524 0.0528  -0.0021 -0.0294 5  HIS B O   
203  C CB  . HIS B 5  ? 0.1714 0.2340 0.1252 0.0502  0.0101  -0.0300 5  HIS B CB  
204  C CG  . HIS B 5  ? 0.2413 0.3166 0.2098 0.0450  0.0158  -0.0253 5  HIS B CG  
205  N ND1 . HIS B 5  ? 0.1955 0.2866 0.1796 0.0447  0.0187  -0.0234 5  HIS B ND1 
206  C CD2 . HIS B 5  ? 0.1837 0.2594 0.1537 0.0385  0.0197  -0.0220 5  HIS B CD2 
207  C CE1 . HIS B 5  ? 0.1742 0.2780 0.1646 0.0366  0.0219  -0.0189 5  HIS B CE1 
208  N NE2 . HIS B 5  ? 0.1735 0.2667 0.1547 0.0319  0.0239  -0.0201 5  HIS B NE2 
209  N N   . LEU B 6  ? 0.1532 0.2155 0.1413 0.0579  0.0024  -0.0407 6  LEU B N   
210  C CA  . LEU B 6  ? 0.1362 0.2027 0.1502 0.0610  0.0044  -0.0398 6  LEU B CA  
211  C C   . LEU B 6  ? 0.1374 0.1977 0.1632 0.0605  -0.0046 -0.0421 6  LEU B C   
212  O O   . LEU B 6  ? 0.1105 0.1765 0.1577 0.0609  -0.0046 -0.0357 6  LEU B O   
213  C CB  . LEU B 6  ? 0.1401 0.2014 0.1575 0.0650  0.0136  -0.0476 6  LEU B CB  
214  C CG  . LEU B 6  ? 0.1444 0.2129 0.1553 0.0661  0.0247  -0.0460 6  LEU B CG  
215  C CD1 . LEU B 6  ? 0.1605 0.2222 0.1826 0.0709  0.0372  -0.0544 6  LEU B CD1 
216  C CD2 . LEU B 6  ? 0.1240 0.2135 0.1502 0.0652  0.0263  -0.0316 6  LEU B CD2 
217  N N   . CYS B 7  ? 0.1371 0.1881 0.1492 0.0587  -0.0127 -0.0502 7  CYS B N   
218  C CA  . CYS B 7  ? 0.1356 0.1837 0.1614 0.0571  -0.0219 -0.0528 7  CYS B CA  
219  C C   . CYS B 7  ? 0.1200 0.1744 0.1583 0.0562  -0.0252 -0.0427 7  CYS B C   
220  O O   . CYS B 7  ? 0.1083 0.1637 0.1677 0.0556  -0.0266 -0.0412 7  CYS B O   
221  C CB  . CYS B 7  ? 0.1572 0.2004 0.1647 0.0533  -0.0322 -0.0616 7  CYS B CB  
222  S SG  . CYS B 7  ? 0.1567 0.2014 0.1840 0.0498  -0.0454 -0.0648 7  CYS B SG  
223  N N   . GLY B 8  ? 0.1429 0.1997 0.1690 0.0552  -0.0238 -0.0364 8  GLY B N   
224  C CA  . GLY B 8  ? 0.1481 0.2081 0.1862 0.0529  -0.0224 -0.0296 8  GLY B CA  
225  C C   . GLY B 8  ? 0.1356 0.2039 0.1873 0.0498  -0.0149 -0.0255 8  GLY B C   
226  O O   . GLY B 8  ? 0.1919 0.2619 0.2579 0.0466  -0.0139 -0.0231 8  GLY B O   
227  N N   . SER B 9  ? 0.1535 0.2290 0.2016 0.0500  -0.0094 -0.0235 9  SER B N   
228  C CA  . SER B 9  ? 0.1509 0.2398 0.2115 0.0464  -0.0047 -0.0158 9  SER B CA  
229  C C   . SER B 9  ? 0.0971 0.1838 0.1786 0.0487  -0.0075 -0.0141 9  SER B C   
230  O O   . SER B 9  ? 0.1061 0.2015 0.1977 0.0439  -0.0053 -0.0070 9  SER B O   
231  C CB  . SER B 9  ? 0.1316 0.2328 0.1898 0.0476  0.0002  -0.0110 9  SER B CB  
232  O OG  . SER B 9  ? 0.3222 0.4154 0.3843 0.0556  0.0005  -0.0157 9  SER B OG  
233  N N   . HIS B 10 ? 0.0815 0.1568 0.1687 0.0543  -0.0110 -0.0213 10 HIS B N   
234  C CA  . HIS B 10 ? 0.1454 0.2147 0.2527 0.0547  -0.0120 -0.0211 10 HIS B CA  
235  C C   . HIS B 10 ? 0.0936 0.1576 0.2050 0.0503  -0.0174 -0.0243 10 HIS B C   
236  O O   . HIS B 10 ? 0.1072 0.1690 0.2326 0.0471  -0.0159 -0.0207 10 HIS B O   
237  C CB  . HIS B 10 ? 0.1183 0.1764 0.2318 0.0598  -0.0113 -0.0311 10 HIS B CB  
238  C CG  . HIS B 10 ? 0.1006 0.1615 0.2186 0.0645  -0.0019 -0.0256 10 HIS B CG  
239  N ND1 . HIS B 10 ? 0.1554 0.2185 0.2902 0.0660  0.0045  -0.0127 10 HIS B ND1 
240  C CD2 . HIS B 10 ? 0.1066 0.1693 0.2132 0.0679  0.0026  -0.0292 10 HIS B CD2 
241  C CE1 . HIS B 10 ? 0.1078 0.1752 0.2455 0.0712  0.0113  -0.0086 10 HIS B CE1 
242  N NE2 . HIS B 10 ? 0.1089 0.1760 0.2332 0.0726  0.0120  -0.0188 10 HIS B NE2 
243  N N   . LEU B 11 ? 0.0920 0.1550 0.1936 0.0507  -0.0232 -0.0295 11 LEU B N   
244  C CA  . LEU B 11 ? 0.1520 0.2122 0.2627 0.0472  -0.0271 -0.0294 11 LEU B CA  
245  C C   . LEU B 11 ? 0.0909 0.1556 0.2081 0.0419  -0.0185 -0.0225 11 LEU B C   
246  O O   . LEU B 11 ? 0.0802 0.1425 0.2110 0.0382  -0.0170 -0.0215 11 LEU B O   
247  C CB  . LEU B 11 ? 0.1293 0.1898 0.2318 0.0505  -0.0353 -0.0320 11 LEU B CB  
248  C CG  . LEU B 11 ? 0.1592 0.2184 0.2628 0.0510  -0.0482 -0.0389 11 LEU B CG  
249  C CD1 . LEU B 11 ? 0.1386 0.1985 0.2672 0.0475  -0.0514 -0.0402 11 LEU B CD1 
250  C CD2 . LEU B 11 ? 0.2255 0.2797 0.3150 0.0509  -0.0478 -0.0479 11 LEU B CD2 
251  N N   . VAL B 12 ? 0.0685 0.1414 0.1764 0.0404  -0.0119 -0.0199 12 VAL B N   
252  C CA  . VAL B 12 ? 0.1476 0.2258 0.2582 0.0318  -0.0019 -0.0168 12 VAL B CA  
253  C C   . VAL B 12 ? 0.1106 0.1970 0.2307 0.0276  0.0009  -0.0107 12 VAL B C   
254  O O   . VAL B 12 ? 0.1317 0.2192 0.2614 0.0210  0.0070  -0.0099 12 VAL B O   
255  C CB  . VAL B 12 ? 0.1210 0.2042 0.2115 0.0259  0.0059  -0.0163 12 VAL B CB  
256  C CG1 A VAL B 12 ? 0.1605 0.2329 0.2462 0.0295  0.0062  -0.0198 12 VAL B CG1 
257  C CG1 B VAL B 12 ? 0.1353 0.2259 0.2241 0.0128  0.0178  -0.0158 12 VAL B CG1 
258  C CG2 A VAL B 12 ? 0.1468 0.2400 0.2253 0.0273  0.0037  -0.0123 12 VAL B CG2 
259  C CG2 B VAL B 12 ? 0.1682 0.2408 0.2531 0.0299  0.0056  -0.0197 12 VAL B CG2 
260  N N   . GLU B 13 ? 0.0777 0.1695 0.1973 0.0316  -0.0020 -0.0051 13 GLU B N   
261  C CA  . GLU B 13 ? 0.1175 0.2171 0.2494 0.0292  0.0004  0.0050  13 GLU B CA  
262  C C   . GLU B 13 ? 0.1008 0.1871 0.2504 0.0312  -0.0013 0.0019  13 GLU B C   
263  O O   . GLU B 13 ? 0.1200 0.2109 0.2819 0.0264  0.0033  0.0089  13 GLU B O   
264  C CB  . GLU B 13 ? 0.0932 0.2012 0.2269 0.0351  -0.0007 0.0144  13 GLU B CB  
265  C CG  . GLU B 13 ? 0.2896 0.3793 0.4266 0.0440  -0.0037 0.0074  13 GLU B CG  
266  C CD  . GLU B 13 ? 0.1758 0.2693 0.3161 0.0488  -0.0011 0.0155  13 GLU B CD  
267  O OE1 . GLU B 13 ? 0.2341 0.3440 0.3685 0.0456  -0.0002 0.0253  13 GLU B OE1 
268  O OE2 . GLU B 13 ? 0.1699 0.2495 0.3198 0.0543  0.0010  0.0125  13 GLU B OE2 
269  N N   . ALA B 14 ? 0.0987 0.1696 0.2462 0.0356  -0.0073 -0.0077 14 ALA B N   
270  C CA  . ALA B 14 ? 0.0755 0.1355 0.2378 0.0340  -0.0093 -0.0122 14 ALA B CA  
271  C C   . ALA B 14 ? 0.0724 0.1330 0.2421 0.0285  -0.0067 -0.0136 14 ALA B C   
272  O O   . ALA B 14 ? 0.0787 0.1369 0.2646 0.0246  -0.0032 -0.0122 14 ALA B O   
273  C CB  . ALA B 14 ? 0.0833 0.1343 0.2454 0.0373  -0.0175 -0.0231 14 ALA B CB  
274  N N   . LEU B 15 ? 0.0692 0.1321 0.2304 0.0282  -0.0064 -0.0162 15 LEU B N   
275  C CA  . LEU B 15 ? 0.0692 0.1307 0.2411 0.0237  -0.0007 -0.0177 15 LEU B CA  
276  C C   . LEU B 15 ? 0.0733 0.1431 0.2515 0.0158  0.0122  -0.0139 15 LEU B C   
277  O O   . LEU B 15 ? 0.0703 0.1365 0.2618 0.0109  0.0187  -0.0150 15 LEU B O   
278  C CB  . LEU B 15 ? 0.0693 0.1300 0.2343 0.0258  0.0000  -0.0198 15 LEU B CB  
279  C CG  . LEU B 15 ? 0.0753 0.1318 0.2369 0.0321  -0.0121 -0.0211 15 LEU B CG  
280  C CD1 . LEU B 15 ? 0.0772 0.1330 0.2366 0.0349  -0.0090 -0.0194 15 LEU B CD1 
281  C CD2 . LEU B 15 ? 0.0813 0.1355 0.2603 0.0311  -0.0186 -0.0226 15 LEU B CD2 
282  N N   . TYR B 16 ? 0.0792 0.1630 0.2474 0.0124  0.0167  -0.0089 16 TYR B N   
283  C CA  . TYR B 16 ? 0.0840 0.1776 0.2444 -0.0004 0.0282  -0.0034 16 TYR B CA  
284  C C   . TYR B 16 ? 0.0839 0.1780 0.2613 -0.0017 0.0293  0.0039  16 TYR B C   
285  O O   . TYR B 16 ? 0.1055 0.2014 0.2869 -0.0117 0.0403  0.0042  16 TYR B O   
286  C CB  . TYR B 16 ? 0.1056 0.2140 0.2409 -0.0055 0.0277  0.0041  16 TYR B CB  
287  C CG  . TYR B 16 ? 0.1395 0.2641 0.2613 -0.0214 0.0366  0.0119  16 TYR B CG  
288  C CD1 . TYR B 16 ? 0.1244 0.2523 0.2297 -0.0370 0.0497  0.0033  16 TYR B CD1 
289  C CD2 . TYR B 16 ? 0.1241 0.2609 0.2492 -0.0220 0.0331  0.0283  16 TYR B CD2 
290  C CE1 . TYR B 16 ? 0.1192 0.2560 0.2037 -0.0518 0.0554  0.0092  16 TYR B CE1 
291  C CE2 . TYR B 16 ? 0.0968 0.2523 0.2062 -0.0382 0.0395  0.0382  16 TYR B CE2 
292  C CZ  . TYR B 16 ? 0.1113 0.2637 0.1963 -0.0531 0.0495  0.0261  16 TYR B CZ  
293  O OH  . TYR B 16 ? 0.1351 0.2947 0.1960 -0.0665 0.0520  0.0318  16 TYR B OH  
294  N N   . LEU B 17 ? 0.0779 0.1689 0.2662 0.0076  0.0205  0.0092  17 LEU B N   
295  C CA  . LEU B 17 ? 0.1224 0.2098 0.3285 0.0068  0.0230  0.0165  17 LEU B CA  
296  C C   . LEU B 17 ? 0.0783 0.1498 0.2990 0.0065  0.0232  0.0060  17 LEU B C   
297  O O   . LEU B 17 ? 0.0845 0.1552 0.3168 0.0003  0.0313  0.0094  17 LEU B O   
298  C CB  . LEU B 17 ? 0.1313 0.2133 0.3429 0.0162  0.0165  0.0232  17 LEU B CB  
299  C CG  . LEU B 17 ? 0.1427 0.2153 0.3771 0.0168  0.0202  0.0298  17 LEU B CG  
300  C CD1 . LEU B 17 ? 0.1538 0.2425 0.3917 0.0090  0.0292  0.0493  17 LEU B CD1 
301  C CD2 . LEU B 17 ? 0.1469 0.2069 0.3865 0.0254  0.0168  0.0306  17 LEU B CD2 
302  N N   . VAL B 18 ? 0.0972 0.1579 0.3160 0.0119  0.0142  -0.0049 18 VAL B N   
303  C CA  . VAL B 18 ? 0.0829 0.1333 0.3181 0.0108  0.0116  -0.0123 18 VAL B CA  
304  C C   . VAL B 18 ? 0.0875 0.1383 0.3285 0.0053  0.0217  -0.0139 18 VAL B C   
305  O O   . VAL B 18 ? 0.0913 0.1376 0.3493 0.0016  0.0273  -0.0145 18 VAL B O   
306  C CB  . VAL B 18 ? 0.0841 0.1302 0.3145 0.0156  -0.0012 -0.0204 18 VAL B CB  
307  C CG1 . VAL B 18 ? 0.0892 0.1324 0.3380 0.0135  -0.0045 -0.0257 18 VAL B CG1 
308  C CG2 . VAL B 18 ? 0.0949 0.1375 0.3263 0.0189  -0.0078 -0.0230 18 VAL B CG2 
309  N N   . CYS B 19 ? 0.0888 0.1434 0.3168 0.0043  0.0261  -0.0156 19 CYS B N   
310  C CA  . CYS B 19 ? 0.1400 0.1902 0.3744 -0.0004 0.0376  -0.0196 19 CYS B CA  
311  C C   . CYS B 19 ? 0.1213 0.1756 0.3493 -0.0108 0.0534  -0.0175 19 CYS B C   
312  O O   . CYS B 19 ? 0.2086 0.2559 0.4468 -0.0145 0.0629  -0.0209 19 CYS B O   
313  C CB  . CYS B 19 ? 0.1190 0.1684 0.3432 0.0012  0.0397  -0.0228 19 CYS B CB  
314  S SG  . CYS B 19 ? 0.0836 0.1313 0.3075 0.0117  0.0210  -0.0224 19 CYS B SG  
315  N N   . GLY B 20 ? 0.2077 0.2359 0.2117 0.0311  0.1091  -0.0087 20 GLY B N   
316  C CA  . GLY B 20 ? 0.2099 0.2114 0.2012 0.0317  0.1189  -0.0025 20 GLY B CA  
317  C C   . GLY B 20 ? 0.2798 0.2694 0.2588 0.0378  0.1239  0.0016  20 GLY B C   
318  O O   . GLY B 20 ? 0.2428 0.2281 0.2158 0.0407  0.1176  0.0026  20 GLY B O   
319  N N   . GLU B 21 ? 0.2900 0.2757 0.2666 0.0396  0.1365  0.0033  21 GLU B N   
320  C CA  . GLU B 21 ? 0.3507 0.3289 0.3168 0.0450  0.1427  0.0044  21 GLU B CA  
321  C C   . GLU B 21 ? 0.3261 0.3165 0.3017 0.0496  0.1416  0.0030  21 GLU B C   
322  O O   . GLU B 21 ? 0.3015 0.2835 0.2699 0.0541  0.1443  0.0033  21 GLU B O   
323  C CB  . GLU B 21 ? 0.4630 0.4430 0.4266 0.0454  0.1572  0.0047  21 GLU B CB  
324  C CG  . GLU B 21 ? 0.5242 0.4940 0.4792 0.0423  0.1614  0.0085  21 GLU B CG  
325  C CD  . GLU B 21 ? 0.5863 0.5622 0.5384 0.0426  0.1776  0.0103  21 GLU B CD  
326  O OE1 . GLU B 21 ? 0.5636 0.5483 0.5134 0.0458  0.1844  0.0069  21 GLU B OE1 
327  O OE2 . GLU B 21 ? 0.6885 0.6619 0.6417 0.0393  0.1846  0.0152  21 GLU B OE2 
328  N N   . ARG B 22 ? 0.3614 0.3740 0.3540 0.0490  0.1384  0.0005  22 ARG B N   
329  C CA  . ARG B 22 ? 0.3075 0.3343 0.3091 0.0551  0.1376  0.0001  22 ARG B CA  
330  C C   . ARG B 22 ? 0.3015 0.3160 0.2944 0.0581  0.1294  0.0049  22 ARG B C   
331  O O   . ARG B 22 ? 0.2729 0.2836 0.2657 0.0650  0.1328  0.0084  22 ARG B O   
332  C CB  . ARG B 22 ? 0.2723 0.3316 0.2937 0.0539  0.1348  -0.0059 22 ARG B CB  
333  C CG  . ARG B 22 ? 0.2419 0.3182 0.2767 0.0521  0.1448  -0.0114 22 ARG B CG  
334  C CD  A ARG B 22 ? 0.2392 0.3523 0.2954 0.0501  0.1405  -0.0207 22 ARG B CD  
335  C CD  B ARG B 22 ? 0.2386 0.3524 0.2951 0.0506  0.1407  -0.0208 22 ARG B CD  
336  N NE  A ARG B 22 ? 0.2113 0.3266 0.2679 0.0439  0.1322  -0.0227 22 ARG B NE  
337  N NE  B ARG B 22 ? 0.2278 0.3589 0.2926 0.0561  0.1360  -0.0239 22 ARG B NE  
338  C CZ  A ARG B 22 ? 0.1968 0.3468 0.2694 0.0434  0.1257  -0.0313 22 ARG B CZ  
339  C CZ  B ARG B 22 ? 0.2110 0.3750 0.2969 0.0545  0.1330  -0.0358 22 ARG B CZ  
340  N NH1 A ARG B 22 ? 0.2110 0.3916 0.2987 0.0472  0.1235  -0.0383 22 ARG B NH1 
341  N NH1 B ARG B 22 ? 0.2061 0.3921 0.3031 0.0490  0.1282  -0.0444 22 ARG B NH1 
342  N NH2 A ARG B 22 ? 0.1853 0.3334 0.2568 0.0405  0.1192  -0.0300 22 ARG B NH2 
343  N NH2 B ARG B 22 ? 0.2128 0.3796 0.3048 0.0614  0.1324  -0.0321 22 ARG B NH2 
344  N N   . GLY B 23 ? 0.3150 0.3239 0.3021 0.0533  0.1195  0.0051  23 GLY B N   
345  C CA  . GLY B 23 ? 0.2839 0.2859 0.2652 0.0552  0.1119  0.0089  23 GLY B CA  
346  C C   . GLY B 23 ? 0.2206 0.2481 0.2135 0.0579  0.1062  0.0091  23 GLY B C   
347  O O   . GLY B 23 ? 0.1969 0.2490 0.2035 0.0577  0.1077  0.0042  23 GLY B O   
348  N N   . PHE B 24 ? 0.2016 0.2248 0.1895 0.0606  0.1004  0.0143  24 PHE B N   
349  C CA  . PHE B 24 ? 0.1842 0.2324 0.1798 0.0641  0.0945  0.0163  24 PHE B CA  
350  C C   . PHE B 24 ? 0.2265 0.2641 0.2155 0.0728  0.0953  0.0285  24 PHE B C   
351  O O   . PHE B 24 ? 0.2006 0.2106 0.1807 0.0728  0.0995  0.0314  24 PHE B O   
352  C CB  . PHE B 24 ? 0.1637 0.2275 0.1629 0.0547  0.0843  0.0068  24 PHE B CB  
353  C CG  . PHE B 24 ? 0.1555 0.2020 0.1444 0.0494  0.0782  0.0057  24 PHE B CG  
354  C CD1 . PHE B 24 ? 0.2053 0.2346 0.1885 0.0430  0.0784  0.0011  24 PHE B CD1 
355  C CD2 . PHE B 24 ? 0.1501 0.1996 0.1354 0.0519  0.0725  0.0101  24 PHE B CD2 
356  C CE1 . PHE B 24 ? 0.1486 0.1645 0.1238 0.0386  0.0727  -0.0005 24 PHE B CE1 
357  C CE2 . PHE B 24 ? 0.1701 0.2062 0.1487 0.0460  0.0676  0.0065  24 PHE B CE2 
358  C CZ  . PHE B 24 ? 0.1699 0.1901 0.1441 0.0391  0.0673  0.0006  24 PHE B CZ  
359  N N   . PHE B 25 ? 0.2058 0.2671 0.2000 0.0805  0.0921  0.0359  25 PHE B N   
360  C CA  . PHE B 25 ? 0.2252 0.2822 0.2148 0.0896  0.0928  0.0501  25 PHE B CA  
361  C C   . PHE B 25 ? 0.2141 0.2977 0.2035 0.0882  0.0806  0.0499  25 PHE B C   
362  O O   . PHE B 25 ? 0.2137 0.3289 0.2088 0.0870  0.0734  0.0448  25 PHE B O   
363  C CB  . PHE B 25 ? 0.2932 0.3578 0.2887 0.1037  0.1017  0.0648  25 PHE B CB  
364  C CG  . PHE B 25 ? 0.2666 0.3705 0.2710 0.1087  0.0973  0.0648  25 PHE B CG  
365  C CD1 . PHE B 25 ? 0.2139 0.3258 0.2280 0.1051  0.1010  0.0532  25 PHE B CD1 
366  C CD2 . PHE B 25 ? 0.2110 0.3468 0.2144 0.1169  0.0897  0.0759  25 PHE B CD2 
367  C CE1 . PHE B 25 ? 0.2133 0.3619 0.2381 0.1090  0.0978  0.0503  25 PHE B CE1 
368  C CE2 . PHE B 25 ? 0.2116 0.3871 0.2215 0.1216  0.0848  0.0745  25 PHE B CE2 
369  C CZ  . PHE B 25 ? 0.2125 0.3933 0.2343 0.1174  0.0892  0.0605  25 PHE B CZ  
370  N N   . TYR B 26 ? 0.1946 0.2669 0.1784 0.0876  0.0786  0.0535  26 TYR B N   
371  C CA  . TYR B 26 ? 0.2056 0.3058 0.1895 0.0871  0.0675  0.0543  26 TYR B CA  
372  C C   . TYR B 26 ? 0.1808 0.2853 0.1649 0.1008  0.0727  0.0749  26 TYR B C   
373  O O   . TYR B 26 ? 0.1913 0.2653 0.1739 0.1018  0.0819  0.0797  26 TYR B O   
374  C CB  . TYR B 26 ? 0.1509 0.2395 0.1316 0.0734  0.0613  0.0396  26 TYR B CB  
375  C CG  . TYR B 26 ? 0.2124 0.3327 0.1945 0.0719  0.0492  0.0385  26 TYR B CG  
376  C CD1 . TYR B 26 ? 0.1895 0.3471 0.1749 0.0690  0.0360  0.0312  26 TYR B CD1 
377  C CD2 . TYR B 26 ? 0.1973 0.3131 0.1776 0.0727  0.0509  0.0435  26 TYR B CD2 
378  C CE1 . TYR B 26 ? 0.1715 0.3649 0.1571 0.0673  0.0220  0.0288  26 TYR B CE1 
379  C CE2 . TYR B 26 ? 0.1527 0.3026 0.1351 0.0708  0.0393  0.0423  26 TYR B CE2 
380  C CZ  . TYR B 26 ? 0.1860 0.3767 0.1709 0.0685  0.0235  0.0351  26 TYR B CZ  
381  O OH  . TYR B 26 ? 0.2558 0.4871 0.2425 0.0659  0.0090  0.0321  26 TYR B OH  
382  N N   . THR B 27 ? 0.2278 0.3716 0.2144 0.1114  0.0674  0.0876  27 THR B N   
383  C CA  . THR B 27 ? 0.2004 0.3554 0.1899 0.1270  0.0728  0.1125  27 THR B CA  
384  C C   . THR B 27 ? 0.2893 0.4970 0.2782 0.1304  0.0581  0.1177  27 THR B C   
385  O O   . THR B 27 ? 0.3345 0.5786 0.3219 0.1342  0.0521  0.1196  27 THR B O   
386  C CB  . THR B 27 ? 0.2801 0.4330 0.2724 0.1406  0.0839  0.1297  27 THR B CB  
387  O OG1 . THR B 27 ? 0.3764 0.4852 0.3696 0.1354  0.0961  0.1214  27 THR B OG1 
388  C CG2 . THR B 27 ? 0.2777 0.4364 0.2779 0.1532  0.0926  0.1541  27 THR B CG2 
389  N N   . PRO B 28 ? 0.3075 0.5207 0.2984 0.1248  0.0533  0.1142  28 PRO B N   
390  C CA  . PRO B 28 ? 0.2979 0.5579 0.2911 0.1210  0.0424  0.1125  28 PRO B CA  
391  C C   . PRO B 28 ? 0.3946 0.6736 0.3959 0.1336  0.0508  0.1358  28 PRO B C   
392  O O   . PRO B 28 ? 0.6623 0.9814 0.6627 0.1344  0.0440  0.1366  28 PRO B O   
393  C CB  . PRO B 28 ? 0.2857 0.5427 0.2797 0.1111  0.0374  0.1027  28 PRO B CB  
394  C CG  . PRO B 28 ? 0.2197 0.4224 0.2140 0.1111  0.0537  0.1051  28 PRO B CG  
395  C CD  . PRO B 28 ? 0.1968 0.3692 0.1876 0.1133  0.0605  0.1026  28 PRO B CD  
396  N N   . LYS B 29 ? 0.3652 0.6156 0.3753 0.1433  0.0668  0.1540  29 LYS B N   
397  C CA  . LYS B 29 ? 0.3944 0.6624 0.4175 0.1560  0.0769  0.1782  29 LYS B CA  
398  C C   . LYS B 29 ? 0.4465 0.6803 0.4752 0.1652  0.0926  0.1905  29 LYS B C   
399  O O   . LYS B 29 ? 0.4902 0.7462 0.5274 0.1781  0.0995  0.2107  29 LYS B O   
400  C CB  . LYS B 29 ? 0.3829 0.6558 0.4185 0.1586  0.0842  0.1913  29 LYS B CB  
401  C CG  . LYS B 29 ? 0.3164 0.6488 0.3580 0.1609  0.0774  0.2017  29 LYS B CG  
402  C CD  . LYS B 29 ? 0.3255 0.6876 0.3524 0.1463  0.0567  0.1760  29 LYS B CD  
403  C CE  . LYS B 29 ? 0.2948 0.6378 0.3144 0.1319  0.0493  0.1555  29 LYS B CE  
404  N NZ  . LYS B 29 ? 0.2417 0.6060 0.2510 0.1155  0.0316  0.1274  29 LYS B NZ  
405  O OXT . LYS B 29 ? 0.6981 0.8860 0.7235 0.1614  0.1001  0.1825  29 LYS B OXT 
406  N N   . GLY C 1  ? 0.4810 0.3481 0.3299 -0.0906 0.1783  -0.0284 1  GLY C N   
407  C CA  . GLY C 1  ? 0.4552 0.3320 0.3281 -0.0894 0.1751  -0.0175 1  GLY C CA  
408  C C   . GLY C 1  ? 0.4498 0.3099 0.3154 -0.0912 0.1573  -0.0202 1  GLY C C   
409  O O   . GLY C 1  ? 0.4622 0.3037 0.3152 -0.0899 0.1489  -0.0342 1  GLY C O   
410  N N   . ILE C 2  ? 0.4320 0.3010 0.3055 -0.0928 0.1507  -0.0081 2  ILE C N   
411  C CA  . ILE C 2  ? 0.4245 0.2812 0.2951 -0.0920 0.1345  -0.0102 2  ILE C CA  
412  C C   . ILE C 2  ? 0.4792 0.3160 0.3098 -0.0998 0.1187  -0.0149 2  ILE C C   
413  O O   . ILE C 2  ? 0.4495 0.2705 0.2700 -0.0971 0.1056  -0.0251 2  ILE C O   
414  C CB  . ILE C 2  ? 0.4147 0.2881 0.3050 -0.0883 0.1322  0.0036  2  ILE C CB  
415  C CG1 . ILE C 2  ? 0.4280 0.2909 0.3176 -0.0854 0.1166  0.0009  2  ILE C CG1 
416  C CG2 . ILE C 2  ? 0.4308 0.3176 0.3099 -0.0961 0.1301  0.0146  2  ILE C CG2 
417  C CD1 . ILE C 2  ? 0.4505 0.3300 0.3567 -0.0793 0.1135  0.0139  2  ILE C CD1 
418  N N   . VAL C 3  ? 0.4595 0.2963 0.2664 -0.1091 0.1201  -0.0076 3  VAL C N   
419  C CA  . VAL C 3  ? 0.5047 0.3171 0.2694 -0.1152 0.1071  -0.0105 3  VAL C CA  
420  C C   . VAL C 3  ? 0.5095 0.3054 0.2533 -0.1102 0.1075  -0.0258 3  VAL C C   
421  O O   . VAL C 3  ? 0.5512 0.3261 0.2679 -0.1069 0.0928  -0.0351 3  VAL C O   
422  C CB  . VAL C 3  ? 0.5721 0.3866 0.3183 -0.1280 0.1114  0.0020  3  VAL C CB  
423  C CG1 . VAL C 3  ? 0.6510 0.4355 0.3494 -0.1333 0.1032  0.0001  3  VAL C CG1 
424  C CG2 . VAL C 3  ? 0.4994 0.3267 0.2616 -0.1321 0.1046  0.0128  3  VAL C CG2 
425  N N   . GLU C 4  ? 0.5129 0.3193 0.2685 -0.1074 0.1233  -0.0300 4  GLU C N   
426  C CA  . GLU C 4  ? 0.5377 0.3307 0.2732 -0.1010 0.1235  -0.0460 4  GLU C CA  
427  C C   . GLU C 4  ? 0.5309 0.3165 0.2803 -0.0919 0.1127  -0.0637 4  GLU C C   
428  O O   . GLU C 4  ? 0.5715 0.3408 0.2941 -0.0865 0.1013  -0.0783 4  GLU C O   
429  C CB  . GLU C 4  ? 0.5419 0.3497 0.2900 -0.0985 0.1425  -0.0476 4  GLU C CB  
430  C CG  . GLU C 4  ? 0.5710 0.3670 0.2957 -0.0904 0.1431  -0.0649 4  GLU C CG  
431  C CD  . GLU C 4  ? 0.5775 0.3891 0.3115 -0.0873 0.1619  -0.0656 4  GLU C CD  
432  O OE1 . GLU C 4  ? 0.5595 0.3916 0.3180 -0.0914 0.1745  -0.0529 4  GLU C OE1 
433  O OE2 . GLU C 4  ? 0.6018 0.4066 0.3178 -0.0790 0.1634  -0.0800 4  GLU C OE2 
434  N N   . GLN C 5  ? 0.5028 0.3009 0.2939 -0.0894 0.1164  -0.0630 5  GLN C N   
435  C CA  . GLN C 5  ? 0.4972 0.2907 0.3084 -0.0828 0.1098  -0.0807 5  GLN C CA  
436  C C   . GLN C 5  ? 0.4926 0.2779 0.2930 -0.0827 0.0905  -0.0825 5  GLN C C   
437  O O   . GLN C 5  ? 0.5049 0.2806 0.2948 -0.0777 0.0780  -0.1010 5  GLN C O   
438  C CB  . GLN C 5  ? 0.4744 0.2811 0.3336 -0.0800 0.1242  -0.0782 5  GLN C CB  
439  C CG  . GLN C 5  ? 0.4695 0.2717 0.3558 -0.0758 0.1203  -0.0958 5  GLN C CG  
440  C CD  . GLN C 5  ? 0.5055 0.3160 0.4371 -0.0735 0.1361  -0.0890 5  GLN C CD  
441  O OE1 . GLN C 5  ? 0.5502 0.3711 0.4912 -0.0726 0.1478  -0.0705 5  GLN C OE1 
442  N NE2 . GLN C 5  ? 0.4494 0.2554 0.4095 -0.0719 0.1369  -0.1044 5  GLN C NE2 
443  N N   . CYS C 6  ? 0.4759 0.2669 0.2791 -0.0868 0.0871  -0.0651 6  CYS C N   
444  C CA  . CYS C 6  ? 0.4668 0.2541 0.2678 -0.0850 0.0702  -0.0661 6  CYS C CA  
445  C C   . CYS C 6  ? 0.4876 0.2573 0.2417 -0.0871 0.0531  -0.0637 6  CYS C C   
446  O O   . CYS C 6  ? 0.4844 0.2492 0.2311 -0.0837 0.0370  -0.0666 6  CYS C O   
447  C CB  . CYS C 6  ? 0.4845 0.2882 0.3163 -0.0850 0.0752  -0.0500 6  CYS C CB  
448  S SG  . CYS C 6  ? 0.4525 0.2705 0.3373 -0.0798 0.0951  -0.0517 6  CYS C SG  
449  N N   . CYS C 7  ? 0.4869 0.1609 0.1731 0.0124  0.0182  -0.0098 7  CYS C N   
450  C CA  . CYS C 7  ? 0.4377 0.1186 0.1289 0.0202  0.0230  -0.0097 7  CYS C CA  
451  C C   . CYS C 7  ? 0.4829 0.1570 0.1618 0.0250  0.0213  -0.0104 7  CYS C C   
452  O O   . CYS C 7  ? 0.5147 0.1931 0.1955 0.0322  0.0247  -0.0099 7  CYS C O   
453  C CB  . CYS C 7  ? 0.4247 0.1137 0.1289 0.0269  0.0303  -0.0060 7  CYS C CB  
454  S SG  . CYS C 7  ? 0.4083 0.1080 0.1282 0.0212  0.0329  -0.0058 7  CYS C SG  
455  N N   . THR C 8  ? 0.5238 0.1868 0.1894 0.0210  0.0157  -0.0115 8  THR C N   
456  C CA  . THR C 8  ? 0.5224 0.1801 0.1752 0.0228  0.0127  -0.0132 8  THR C CA  
457  C C   . THR C 8  ? 0.5353 0.1961 0.1786 0.0114  0.0043  -0.0167 8  THR C C   
458  O O   . THR C 8  ? 0.5385 0.2052 0.1747 0.0116  0.0018  -0.0179 8  THR C O   
459  C CB  . THR C 8  ? 0.4934 0.1385 0.1372 0.0270  0.0127  -0.0118 8  THR C CB  
460  O OG1 . THR C 8  ? 0.5738 0.2096 0.2121 0.0197  0.0078  -0.0122 8  THR C OG1 
461  C CG2 . THR C 8  ? 0.5146 0.1646 0.1675 0.0370  0.0206  -0.0079 8  THR C CG2 
462  N N   . SER C 9  ? 0.5231 0.1841 0.1670 0.0006  -0.0004 -0.0173 9  SER C N   
463  C CA  . SER C 9  ? 0.5330 0.2044 0.1710 -0.0129 -0.0090 -0.0188 9  SER C CA  
464  C C   . SER C 9  ? 0.4822 0.1669 0.1296 -0.0207 -0.0100 -0.0188 9  SER C C   
465  O O   . SER C 9  ? 0.4743 0.1525 0.1293 -0.0183 -0.0057 -0.0181 9  SER C O   
466  C CB  . SER C 9  ? 0.5152 0.1700 0.1397 -0.0219 -0.0166 -0.0186 9  SER C CB  
467  O OG  . SER C 9  ? 0.8258 0.4678 0.4408 -0.0144 -0.0152 -0.0191 9  SER C OG  
468  N N   . ILE C 10 ? 0.4794 0.1869 0.1278 -0.0303 -0.0157 -0.0188 10 ILE C N   
469  C CA  . ILE C 10 ? 0.4678 0.1927 0.1253 -0.0389 -0.0174 -0.0185 10 ILE C CA  
470  C C   . ILE C 10 ? 0.5165 0.2285 0.1702 -0.0518 -0.0237 -0.0167 10 ILE C C   
471  O O   . ILE C 10 ? 0.4908 0.1986 0.1359 -0.0620 -0.0316 -0.0151 10 ILE C O   
472  C CB  . ILE C 10 ? 0.5085 0.2668 0.1698 -0.0447 -0.0216 -0.0177 10 ILE C CB  
473  C CG1 . ILE C 10 ? 0.5715 0.3425 0.2382 -0.0299 -0.0147 -0.0187 10 ILE C CG1 
474  C CG2 . ILE C 10 ? 0.5353 0.3142 0.2061 -0.0559 -0.0245 -0.0169 10 ILE C CG2 
475  C CD1 . ILE C 10 ? 0.4875 0.2956 0.1621 -0.0325 -0.0177 -0.0175 10 ILE C CD1 
476  N N   . CYS C 11 ? 0.4945 0.1997 0.1544 -0.0517 -0.0204 -0.0164 11 CYS C N   
477  C CA  . CYS C 11 ? 0.4771 0.1702 0.1339 -0.0631 -0.0261 -0.0136 11 CYS C CA  
478  C C   . CYS C 11 ? 0.4685 0.1882 0.1333 -0.0782 -0.0319 -0.0118 11 CYS C C   
479  O O   . CYS C 11 ? 0.4728 0.2150 0.1489 -0.0764 -0.0277 -0.0133 11 CYS C O   
480  C CB  . CYS C 11 ? 0.4727 0.1491 0.1342 -0.0550 -0.0196 -0.0127 11 CYS C CB  
481  S SG  . CYS C 11 ? 0.4840 0.1368 0.1387 -0.0395 -0.0150 -0.0111 11 CYS C SG  
482  N N   . SER C 12 ? 0.4959 0.2139 0.1552 -0.0927 -0.0411 -0.0080 12 SER C N   
483  C CA  . SER C 12 ? 0.4734 0.2187 0.1426 -0.1080 -0.0468 -0.0046 12 SER C CA  
484  C C   . SER C 12 ? 0.4673 0.2070 0.1419 -0.1118 -0.0456 -0.0026 12 SER C C   
485  O O   . SER C 12 ? 0.4768 0.1919 0.1477 -0.1025 -0.0406 -0.0036 12 SER C O   
486  C CB  . SER C 12 ? 0.4909 0.2354 0.1527 -0.1227 -0.0566 0.0000  12 SER C CB  
487  O OG  . SER C 12 ? 0.5125 0.2203 0.1596 -0.1247 -0.0601 0.0028  12 SER C OG  
488  N N   . LEU C 13 ? 0.2995 0.2388 0.2096 -0.0241 0.0796  0.0367  13 LEU C N   
489  C CA  . LEU C 13 ? 0.2899 0.2119 0.1886 -0.0280 0.0796  0.0297  13 LEU C CA  
490  C C   . LEU C 13 ? 0.2895 0.1916 0.1693 -0.0331 0.0738  0.0271  13 LEU C C   
491  O O   . LEU C 13 ? 0.3065 0.1920 0.1772 -0.0360 0.0738  0.0217  13 LEU C O   
492  C CB  . LEU C 13 ? 0.2725 0.1992 0.1683 -0.0341 0.0799  0.0319  13 LEU C CB  
493  C CG  . LEU C 13 ? 0.2840 0.2210 0.1940 -0.0308 0.0926  0.0297  13 LEU C CG  
494  C CD1 . LEU C 13 ? 0.3297 0.2796 0.2335 -0.0391 0.0972  0.0285  13 LEU C CD1 
495  C CD2 . LEU C 13 ? 0.2837 0.2071 0.1984 -0.0272 0.1032  0.0210  13 LEU C CD2 
496  N N   . TYR C 14 ? 0.2827 0.1800 0.1552 -0.0361 0.0677  0.0308  14 TYR C N   
497  C CA  . TYR C 14 ? 0.2872 0.1742 0.1692 -0.0344 0.0462  0.0191  14 TYR C CA  
498  C C   . TYR C 14 ? 0.2956 0.1967 0.1912 -0.0246 0.0495  -0.0002 14 TYR C C   
499  O O   . TYR C 14 ? 0.3316 0.2245 0.2424 -0.0210 0.0363  -0.0136 14 TYR C O   
500  C CB  . TYR C 14 ? 0.2688 0.1557 0.1566 -0.0368 0.0322  0.0202  14 TYR C CB  
501  C CG  . TYR C 14 ? 0.3278 0.2108 0.2047 -0.0493 0.0321  0.0409  14 TYR C CG  
502  C CD1 . TYR C 14 ? 0.3371 0.2019 0.2094 -0.0630 0.0149  0.0533  14 TYR C CD1 
503  C CD2 . TYR C 14 ? 0.3733 0.2755 0.2473 -0.0496 0.0481  0.0498  14 TYR C CD2 
504  C CE1 . TYR C 14 ? 0.3678 0.2458 0.2362 -0.0747 0.0170  0.0690  14 TYR C CE1 
505  C CE2 . TYR C 14 ? 0.2955 0.2119 0.1776 -0.0557 0.0469  0.0614  14 TYR C CE2 
506  C CZ  . TYR C 14 ? 0.3326 0.2398 0.2108 -0.0677 0.0342  0.0688  14 TYR C CZ  
507  O OH  . TYR C 14 ? 0.4440 0.3711 0.3295 -0.0735 0.0373  0.0774  14 TYR C OH  
508  N N   . GLN C 15 ? 0.3000 0.2265 0.1929 -0.0221 0.0657  -0.0003 15 GLN C N   
509  C CA  . GLN C 15 ? 0.2945 0.2458 0.1968 -0.0181 0.0728  -0.0164 15 GLN C CA  
510  C C   . GLN C 15 ? 0.2788 0.2231 0.1860 -0.0185 0.0795  -0.0154 15 GLN C C   
511  O O   . GLN C 15 ? 0.2754 0.2311 0.1991 -0.0150 0.0769  -0.0335 15 GLN C O   
512  C CB  . GLN C 15 ? 0.2601 0.2437 0.1526 -0.0221 0.0864  -0.0078 15 GLN C CB  
513  C CG  . GLN C 15 ? 0.3292 0.3288 0.2170 -0.0228 0.0783  -0.0156 15 GLN C CG  
514  C CD  . GLN C 15 ? 0.2864 0.3194 0.1598 -0.0307 0.0880  0.0001  15 GLN C CD  
515  O OE1 . GLN C 15 ? 0.2460 0.2727 0.1271 -0.0286 0.0860  0.0279  15 GLN C OE1 
516  N NE2 . GLN C 15 ? 0.2650 0.3365 0.1349 -0.0335 0.0876  -0.0180 15 GLN C NE2 
517  N N   . LEU C 16 ? 0.2380 0.1667 0.1360 -0.0226 0.0881  0.0018  16 LEU C N   
518  C CA  . LEU C 16 ? 0.2699 0.1894 0.1731 -0.0244 0.0922  0.0001  16 LEU C CA  
519  C C   . LEU C 16 ? 0.2810 0.1823 0.1871 -0.0245 0.0745  -0.0097 16 LEU C C   
520  O O   . LEU C 16 ? 0.2794 0.1819 0.1977 -0.0242 0.0717  -0.0186 16 LEU C O   
521  C CB  . LEU C 16 ? 0.2365 0.1483 0.1418 -0.0257 0.0961  0.0115  16 LEU C CB  
522  C CG  . LEU C 16 ? 0.2313 0.1623 0.1531 -0.0233 0.0969  0.0228  16 LEU C CG  
523  C CD1 . LEU C 16 ? 0.2324 0.1523 0.1621 -0.0215 0.1001  0.0268  16 LEU C CD1 
524  C CD2 . LEU C 16 ? 0.2318 0.1754 0.1639 -0.0271 0.1024  0.0254  16 LEU C CD2 
525  N N   . GLU C 17 ? 0.3159 0.2014 0.2133 -0.0271 0.0597  -0.0048 17 GLU C N   
526  C CA  . GLU C 17 ? 0.3389 0.2055 0.2400 -0.0310 0.0362  -0.0059 17 GLU C CA  
527  C C   . GLU C 17 ? 0.2834 0.1551 0.2177 -0.0211 0.0200  -0.0251 17 GLU C C   
528  O O   . GLU C 17 ? 0.2988 0.1570 0.2471 -0.0223 -0.0010 -0.0268 17 GLU C O   
529  C CB  . GLU C 17 ? 0.2853 0.1369 0.1728 -0.0401 0.0216  0.0092  17 GLU C CB  
530  C CG  . GLU C 17 ? 0.3997 0.2314 0.2828 -0.0520 -0.0049 0.0203  17 GLU C CG  
531  C CD  . GLU C 17 ? 0.4606 0.2820 0.3299 -0.0666 -0.0195 0.0410  17 GLU C CD  
532  O OE1 . GLU C 17 ? 0.3217 0.1484 0.1948 -0.0633 -0.0135 0.0414  17 GLU C OE1 
533  O OE2 . GLU C 17 ? 0.6209 0.4319 0.4746 -0.0843 -0.0382 0.0591  17 GLU C OE2 
534  N N   . ASN C 18 ? 0.2625 0.1579 0.2121 -0.0122 0.0285  -0.0415 18 ASN C N   
535  C CA  . ASN C 18 ? 0.3078 0.2177 0.2963 -0.0013 0.0164  -0.0693 18 ASN C CA  
536  C C   . ASN C 18 ? 0.2975 0.2209 0.3045 0.0005  0.0207  -0.0791 18 ASN C C   
537  O O   . ASN C 18 ? 0.2818 0.2090 0.3288 0.0091  0.0030  -0.0994 18 ASN C O   
538  C CB  . ASN C 18 ? 0.2760 0.2211 0.2697 0.0039  0.0303  -0.0888 18 ASN C CB  
539  C CG  . ASN C 18 ? 0.3518 0.2893 0.3702 0.0114  0.0083  -0.1083 18 ASN C CG  
540  O OD1 . ASN C 18 ? 0.4048 0.3727 0.4518 0.0204  0.0090  -0.1430 18 ASN C OD1 
541  N ND2 . ASN C 18 ? 0.4074 0.3071 0.4179 0.0060  -0.0118 -0.0880 18 ASN C ND2 
542  N N   . TYR C 19 ? 0.2937 0.2243 0.2798 -0.0071 0.0417  -0.0660 19 TYR C N   
543  C CA  . TYR C 19 ? 0.2492 0.1943 0.2535 -0.0083 0.0468  -0.0735 19 TYR C CA  
544  C C   . TYR C 19 ? 0.2600 0.1755 0.2594 -0.0142 0.0302  -0.0629 19 TYR C C   
545  O O   . TYR C 19 ? 0.2613 0.1856 0.2749 -0.0170 0.0322  -0.0677 19 TYR C O   
546  C CB  . TYR C 19 ? 0.2487 0.2164 0.2397 -0.0163 0.0744  -0.0639 19 TYR C CB  
547  C CG  . TYR C 19 ? 0.2362 0.2406 0.2246 -0.0161 0.0896  -0.0695 19 TYR C CG  
548  C CD1 . TYR C 19 ? 0.2511 0.3027 0.2645 -0.0148 0.0973  -0.0932 19 TYR C CD1 
549  C CD2 . TYR C 19 ? 0.2356 0.2340 0.1973 -0.0190 0.0960  -0.0528 19 TYR C CD2 
550  C CE1 . TYR C 19 ? 0.2402 0.3342 0.2445 -0.0190 0.1117  -0.1000 19 TYR C CE1 
551  C CE2 . TYR C 19 ? 0.2373 0.2727 0.1924 -0.0220 0.1068  -0.0562 19 TYR C CE2 
552  C CZ  . TYR C 19 ? 0.2946 0.3788 0.2673 -0.0232 0.1149  -0.0797 19 TYR C CZ  
553  O OH  . TYR C 19 ? 0.2808 0.3989 0.2432 -0.0269 0.1159  -0.0769 19 TYR C OH  
554  N N   . CYS C 20 ? 0.3008 0.1863 0.2788 -0.0194 0.0138  -0.0479 20 CYS C N   
555  C CA  . CYS C 20 ? 0.2917 0.1561 0.2583 -0.0296 -0.0047 -0.0369 20 CYS C CA  
556  C C   . CYS C 20 ? 0.3048 0.1648 0.3111 -0.0241 -0.0371 -0.0451 20 CYS C C   
557  O O   . CYS C 20 ? 0.3648 0.2309 0.4085 -0.0112 -0.0487 -0.0602 20 CYS C O   
558  C CB  . CYS C 20 ? 0.3076 0.1516 0.2362 -0.0420 -0.0110 -0.0162 20 CYS C CB  
559  S SG  . CYS C 20 ? 0.3251 0.1760 0.2201 -0.0460 0.0237  -0.0098 20 CYS C SG  
560  N N   . ASN C 21 ? 0.3378 0.1883 0.3401 -0.0339 -0.0539 -0.0374 21 ASN C N   
561  C CA  . ASN C 21 ? 0.3400 0.1831 0.3833 -0.0305 -0.0917 -0.0392 21 ASN C CA  
562  C C   . ASN C 21 ? 0.4075 0.2220 0.4470 -0.0371 -0.1258 -0.0177 21 ASN C C   
563  O O   . ASN C 21 ? 0.6566 0.4584 0.7401 -0.0327 -0.1644 -0.0156 21 ASN C O   
564  C CB  . ASN C 21 ? 0.3543 0.1981 0.3913 -0.0423 -0.1023 -0.0342 21 ASN C CB  
565  C CG  . ASN C 21 ? 0.3977 0.2695 0.4601 -0.0355 -0.0792 -0.0559 21 ASN C CG  
566  O OD1 . ASN C 21 ? 0.4521 0.3483 0.5552 -0.0204 -0.0674 -0.0766 21 ASN C OD1 
567  N ND2 . ASN C 21 ? 0.3969 0.2692 0.4361 -0.0489 -0.0725 -0.0525 21 ASN C ND2 
568  O OXT . ASN C 21 ? 0.4438 0.2478 0.4412 -0.0482 -0.1176 -0.0002 21 ASN C OXT 
569  N N   . PHE D 1  ? 0.2540 0.6182 0.3825 -0.0597 0.0691  0.1792  1  PHE D N   
570  C CA  . PHE D 1  ? 0.2910 0.6143 0.3960 -0.0647 0.0657  0.1658  1  PHE D CA  
571  C C   . PHE D 1  ? 0.2799 0.5626 0.3887 -0.0773 0.0496  0.1468  1  PHE D C   
572  O O   . PHE D 1  ? 0.4601 0.7422 0.5765 -0.0722 0.0477  0.1371  1  PHE D O   
573  C CB  . PHE D 1  ? 0.3623 0.6820 0.4348 -0.0397 0.0837  0.1583  1  PHE D CB  
574  C CG  . PHE D 1  ? 0.4174 0.6990 0.4632 -0.0462 0.0781  0.1494  1  PHE D CG  
575  C CD1 . PHE D 1  ? 0.4078 0.6815 0.4416 -0.0585 0.0743  0.1614  1  PHE D CD1 
576  C CD2 . PHE D 1  ? 0.3731 0.6279 0.4068 -0.0412 0.0748  0.1322  1  PHE D CD2 
577  C CE1 . PHE D 1  ? 0.4586 0.6975 0.4687 -0.0656 0.0653  0.1576  1  PHE D CE1 
578  C CE2 . PHE D 1  ? 0.4461 0.6692 0.4573 -0.0495 0.0666  0.1292  1  PHE D CE2 
579  C CZ  . PHE D 1  ? 0.4205 0.6347 0.4200 -0.0619 0.0604  0.1426  1  PHE D CZ  
580  N N   . VAL D 2  ? 0.3448 0.5921 0.4471 -0.0917 0.0393  0.1421  2  VAL D N   
581  C CA  . VAL D 2  ? 0.2282 0.4338 0.3347 -0.1026 0.0260  0.1252  2  VAL D CA  
582  C C   . VAL D 2  ? 0.1993 0.3804 0.2973 -0.0933 0.0273  0.1076  2  VAL D C   
583  O O   . VAL D 2  ? 0.2142 0.3792 0.3167 -0.0922 0.0241  0.0929  2  VAL D O   
584  C CB  . VAL D 2  ? 0.2353 0.4123 0.3409 -0.1180 0.0161  0.1287  2  VAL D CB  
585  C CG1 . VAL D 2  ? 0.2726 0.4027 0.3774 -0.1219 0.0088  0.1089  2  VAL D CG1 
586  C CG2 . VAL D 2  ? 0.2445 0.4436 0.3604 -0.1309 0.0122  0.1461  2  VAL D CG2 
587  N N   . ASN D 3  ? 0.2244 0.4022 0.3079 -0.0883 0.0312  0.1106  3  ASN D N   
588  C CA  . ASN D 3  ? 0.2798 0.4318 0.3585 -0.0851 0.0280  0.0971  3  ASN D CA  
589  C C   . ASN D 3  ? 0.1666 0.3347 0.2433 -0.0712 0.0371  0.0882  3  ASN D C   
590  O O   . ASN D 3  ? 0.1433 0.2874 0.2252 -0.0710 0.0314  0.0731  3  ASN D O   
591  C CB  . ASN D 3  ? 0.2862 0.4287 0.3435 -0.0857 0.0258  0.1061  3  ASN D CB  
592  C CG  . ASN D 3  ? 0.2861 0.3866 0.3386 -0.0798 0.0129  0.0867  3  ASN D CG  
593  O OD1 . ASN D 3  ? 0.3232 0.4135 0.3551 -0.0636 0.0140  0.0716  3  ASN D OD1 
594  N ND2 . ASN D 3  ? 0.3300 0.4056 0.4035 -0.0926 0.0011  0.0889  3  ASN D ND2 
595  N N   . GLN D 4  ? 0.2279 0.4320 0.2964 -0.0553 0.0514  0.0958  4  GLN D N   
596  C CA  . GLN D 4  ? 0.2529 0.4691 0.3205 -0.0368 0.0601  0.0869  4  GLN D CA  
597  C C   . GLN D 4  ? 0.1540 0.3650 0.2468 -0.0468 0.0492  0.0806  4  GLN D C   
598  O O   . GLN D 4  ? 0.1310 0.3340 0.2263 -0.0407 0.0487  0.0693  4  GLN D O   
599  C CB  . GLN D 4  ? 0.2634 0.5094 0.3150 -0.0117 0.0778  0.0953  4  GLN D CB  
600  C CG  . GLN D 4  ? 0.2439 0.5054 0.3068 0.0060  0.0832  0.0919  4  GLN D CG  
601  C CD  . GLN D 4  ? 0.4414 0.7351 0.5032 0.0256  0.0975  0.1057  4  GLN D CD  
602  O OE1 . GLN D 4  ? 0.5112 0.7980 0.5385 0.0493  0.1134  0.1031  4  GLN D OE1 
603  N NE2 . GLN D 4  ? 0.6362 0.9614 0.7313 0.0158  0.0915  0.1208  4  GLN D NE2 
604  N N   . HIS D 5  ? 0.1683 0.3814 0.2733 -0.0619 0.0407  0.0883  5  HIS D N   
605  C CA  . HIS D 5  ? 0.1456 0.3467 0.2609 -0.0726 0.0303  0.0824  5  HIS D CA  
606  C C   . HIS D 5  ? 0.1351 0.2896 0.2450 -0.0792 0.0237  0.0632  5  HIS D C   
607  O O   . HIS D 5  ? 0.1486 0.2916 0.2596 -0.0793 0.0208  0.0535  5  HIS D O   
608  C CB  . HIS D 5  ? 0.1636 0.3745 0.2867 -0.0879 0.0229  0.0956  5  HIS D CB  
609  C CG  . HIS D 5  ? 0.1888 0.3925 0.3167 -0.0996 0.0123  0.0933  5  HIS D CG  
610  N ND1 . HIS D 5  ? 0.2627 0.4235 0.3815 -0.1102 0.0052  0.0785  5  HIS D ND1 
611  C CD2 . HIS D 5  ? 0.1753 0.4105 0.3146 -0.1019 0.0079  0.1058  5  HIS D CD2 
612  C CE1 . HIS D 5  ? 0.2396 0.4039 0.3594 -0.1202 -0.0035 0.0812  5  HIS D CE1 
613  N NE2 . HIS D 5  ? 0.2299 0.4398 0.3632 -0.1170 -0.0039 0.0986  5  HIS D NE2 
614  N N   . LEU D 6  ? 0.1377 0.2662 0.2424 -0.0834 0.0219  0.0593  6  LEU D N   
615  C CA  . LEU D 6  ? 0.1321 0.2190 0.2345 -0.0844 0.0192  0.0421  6  LEU D CA  
616  C C   . LEU D 6  ? 0.1630 0.2451 0.2649 -0.0755 0.0213  0.0323  6  LEU D C   
617  O O   . LEU D 6  ? 0.1861 0.2461 0.2878 -0.0742 0.0216  0.0187  6  LEU D O   
618  C CB  . LEU D 6  ? 0.1415 0.2077 0.2414 -0.0879 0.0169  0.0436  6  LEU D CB  
619  C CG  . LEU D 6  ? 0.1643 0.2310 0.2648 -0.0981 0.0141  0.0544  6  LEU D CG  
620  C CD1 . LEU D 6  ? 0.2312 0.2754 0.3300 -0.0997 0.0114  0.0565  6  LEU D CD1 
621  C CD2 . LEU D 6  ? 0.1724 0.2260 0.2736 -0.1056 0.0129  0.0482  6  LEU D CD2 
622  N N   . CYS D 7  ? 0.1249 0.2297 0.2250 -0.0695 0.0244  0.0403  7  CYS D N   
623  C CA  . CYS D 7  ? 0.1155 0.2097 0.2095 -0.0587 0.0244  0.0295  7  CYS D CA  
624  C C   . CYS D 7  ? 0.0980 0.2075 0.1964 -0.0530 0.0284  0.0263  7  CYS D C   
625  O O   . CYS D 7  ? 0.0939 0.1801 0.1899 -0.0495 0.0256  0.0141  7  CYS D O   
626  C CB  . CYS D 7  ? 0.1292 0.2193 0.1941 -0.0402 0.0263  0.0279  7  CYS D CB  
627  S SG  . CYS D 7  ? 0.1432 0.2012 0.1837 -0.0208 0.0233  0.0096  7  CYS D SG  
628  N N   . GLY D 8  ? 0.1244 0.2720 0.2297 -0.0514 0.0337  0.0390  8  GLY D N   
629  C CA  . GLY D 8  ? 0.0966 0.2582 0.2074 -0.0457 0.0338  0.0391  8  GLY D CA  
630  C C   . GLY D 8  ? 0.0956 0.2262 0.2062 -0.0599 0.0243  0.0295  8  GLY D C   
631  O O   . GLY D 8  ? 0.0912 0.2221 0.2027 -0.0578 0.0229  0.0261  8  GLY D O   
632  N N   . SER D 9  ? 0.1044 0.2088 0.2114 -0.0709 0.0200  0.0259  9  SER D N   
633  C CA  . SER D 9  ? 0.1109 0.1862 0.2140 -0.0774 0.0158  0.0174  9  SER D CA  
634  C C   . SER D 9  ? 0.1390 0.1876 0.2405 -0.0685 0.0148  0.0103  9  SER D C   
635  O O   . SER D 9  ? 0.1767 0.2179 0.2721 -0.0706 0.0111  0.0088  9  SER D O   
636  C CB  . SER D 9  ? 0.1255 0.1811 0.2272 -0.0850 0.0145  0.0166  9  SER D CB  
637  O OG  . SER D 9  ? 0.2366 0.3160 0.3384 -0.0947 0.0101  0.0294  9  SER D OG  
638  N N   . HIS D 10 ? 0.0995 0.1407 0.1892 -0.0651 0.0092  0.0146  10 HIS D N   
639  C CA  . HIS D 10 ? 0.1442 0.1643 0.2202 -0.0617 0.0106  0.0035  10 HIS D CA  
640  C C   . HIS D 10 ? 0.1281 0.1555 0.2120 -0.0557 0.0162  -0.0035 10 HIS D C   
641  O O   . HIS D 10 ? 0.1325 0.1414 0.2103 -0.0509 0.0164  -0.0100 10 HIS D O   
642  C CB  . HIS D 10 ? 0.1829 0.1897 0.2573 -0.0576 0.0105  0.0009  10 HIS D CB  
643  C CG  . HIS D 10 ? 0.1881 0.1856 0.2582 -0.0627 0.0092  0.0043  10 HIS D CG  
644  N ND1 . HIS D 10 ? 0.1479 0.1274 0.2204 -0.0593 0.0135  -0.0003 10 HIS D ND1 
645  C CD2 . HIS D 10 ? 0.2456 0.2489 0.3132 -0.0706 0.0085  0.0093  10 HIS D CD2 
646  C CE1 . HIS D 10 ? 0.2108 0.1823 0.2840 -0.0644 0.0135  0.0030  10 HIS D CE1 
647  N NE2 . HIS D 10 ? 0.2686 0.2529 0.3377 -0.0725 0.0097  0.0090  10 HIS D NE2 
648  N N   . LEU D 11 ? 0.1232 0.1826 0.2231 -0.0543 0.0229  -0.0012 11 LEU D N   
649  C CA  . LEU D 11 ? 0.1212 0.1809 0.2096 -0.0350 0.0238  -0.0043 11 LEU D CA  
650  C C   . LEU D 11 ? 0.1036 0.1715 0.1945 -0.0382 0.0226  -0.0021 11 LEU D C   
651  O O   . LEU D 11 ? 0.1517 0.1986 0.2340 -0.0310 0.0213  -0.0083 11 LEU D O   
652  C CB  . LEU D 11 ? 0.1038 0.1899 0.1848 -0.0171 0.0294  0.0034  11 LEU D CB  
653  C CG  . LEU D 11 ? 0.2091 0.2711 0.2638 0.0068  0.0311  -0.0051 11 LEU D CG  
654  C CD1 . LEU D 11 ? 0.2010 0.2188 0.2447 0.0000  0.0215  -0.0169 11 LEU D CD1 
655  C CD2 . LEU D 11 ? 0.1456 0.2279 0.1859 0.0240  0.0409  0.0016  11 LEU D CD2 
656  N N   . VAL D 12 ? 0.0862 0.1833 0.1875 -0.0516 0.0205  0.0087  12 VAL D N   
657  C CA  . VAL D 12 ? 0.0910 0.1970 0.1915 -0.0576 0.0151  0.0134  12 VAL D CA  
658  C C   . VAL D 12 ? 0.1228 0.1878 0.2087 -0.0702 0.0138  0.0017  12 VAL D C   
659  O O   . VAL D 12 ? 0.1918 0.2496 0.2685 -0.0694 0.0115  0.0011  12 VAL D O   
660  C CB  . VAL D 12 ? 0.0982 0.2334 0.2057 -0.0682 0.0082  0.0273  12 VAL D CB  
661  C CG1 . VAL D 12 ? 0.0947 0.2759 0.2191 -0.0521 0.0132  0.0426  12 VAL D CG1 
662  C CG2 . VAL D 12 ? 0.1103 0.2151 0.2070 -0.0797 0.0059  0.0210  12 VAL D CG2 
663  N N   . GLU D 13 ? 0.1189 0.1530 0.1950 -0.0689 0.0125  -0.0016 13 GLU D N   
664  C CA  . GLU D 13 ? 0.2072 0.2097 0.2656 -0.0676 0.0130  -0.0079 13 GLU D CA  
665  C C   . GLU D 13 ? 0.1773 0.1674 0.2336 -0.0587 0.0177  -0.0139 13 GLU D C   
666  O O   . GLU D 13 ? 0.1736 0.1505 0.2208 -0.0594 0.0199  -0.0161 13 GLU D O   
667  C CB  . GLU D 13 ? 0.1562 0.1435 0.2095 -0.0656 0.0127  -0.0081 13 GLU D CB  
668  C CG  . GLU D 13 ? 0.4747 0.4457 0.5159 -0.0734 0.0136  -0.0113 13 GLU D CG  
669  C CD  . GLU D 13 ? 0.3449 0.2984 0.3698 -0.0729 0.0217  -0.0186 13 GLU D CD  
670  O OE1 . GLU D 13 ? 0.5247 0.4775 0.5543 -0.0637 0.0265  -0.0197 13 GLU D OE1 
671  O OE2 . GLU D 13 ? 0.4313 0.3704 0.4356 -0.0837 0.0235  -0.0228 13 GLU D OE2 
672  N N   . ALA D 14 ? 0.1248 0.1166 0.1909 -0.0511 0.0191  -0.0163 14 ALA D N   
673  C CA  . ALA D 14 ? 0.1229 0.0987 0.1897 -0.0435 0.0195  -0.0205 14 ALA D CA  
674  C C   . ALA D 14 ? 0.1215 0.0956 0.1904 -0.0428 0.0204  -0.0223 14 ALA D C   
675  O O   . ALA D 14 ? 0.1260 0.0803 0.1883 -0.0421 0.0201  -0.0229 14 ALA D O   
676  C CB  . ALA D 14 ? 0.1081 0.0795 0.1819 -0.0376 0.0167  -0.0232 14 ALA D CB  
677  N N   . LEU D 15 ? 0.1968 0.1987 0.2642 -0.0340 0.0179  -0.0158 15 LEU D N   
678  C CA  . LEU D 15 ? 0.1440 0.1525 0.2042 -0.0211 0.0146  -0.0096 15 LEU D CA  
679  C C   . LEU D 15 ? 0.1661 0.1720 0.2198 -0.0354 0.0120  -0.0058 15 LEU D C   
680  O O   . LEU D 15 ? 0.1500 0.1421 0.1942 -0.0291 0.0093  -0.0030 15 LEU D O   
681  C CB  . LEU D 15 ? 0.1619 0.2102 0.2304 -0.0071 0.0152  0.0011  15 LEU D CB  
682  C CG  . LEU D 15 ? 0.1622 0.2064 0.2225 0.0193  0.0202  -0.0010 15 LEU D CG  
683  C CD1 . LEU D 15 ? 0.2831 0.3012 0.3280 0.0395  0.0187  -0.0023 15 LEU D CD1 
684  C CD2 . LEU D 15 ? 0.2591 0.2762 0.3103 0.0154  0.0207  -0.0128 15 LEU D CD2 
685  N N   . TYR D 16 ? 0.1741 0.1873 0.2269 -0.0555 0.0121  -0.0055 16 TYR D N   
686  C CA  . TYR D 16 ? 0.1620 0.1644 0.1964 -0.0711 0.0093  -0.0037 16 TYR D CA  
687  C C   . TYR D 16 ? 0.1921 0.1579 0.2145 -0.0720 0.0177  -0.0109 16 TYR D C   
688  O O   . TYR D 16 ? 0.1759 0.1315 0.1813 -0.0745 0.0155  -0.0065 16 TYR D O   
689  C CB  . TYR D 16 ? 0.2190 0.2214 0.2448 -0.0928 0.0079  -0.0055 16 TYR D CB  
690  C CG  . TYR D 16 ? 0.2431 0.2209 0.2367 -0.1039 0.0066  -0.0078 16 TYR D CG  
691  C CD1 . TYR D 16 ? 0.2301 0.2203 0.2080 -0.1196 -0.0074 0.0028  16 TYR D CD1 
692  C CD2 . TYR D 16 ? 0.1987 0.1463 0.1769 -0.0988 0.0180  -0.0174 16 TYR D CD2 
693  C CE1 . TYR D 16 ? 0.2686 0.2303 0.2065 -0.1339 -0.0092 -0.0001 16 TYR D CE1 
694  C CE2 . TYR D 16 ? 0.2368 0.1593 0.1777 -0.1108 0.0212  -0.0210 16 TYR D CE2 
695  C CZ  . TYR D 16 ? 0.2629 0.1877 0.1789 -0.1292 0.0075  -0.0137 16 TYR D CZ  
696  O OH  . TYR D 16 ? 0.3116 0.2044 0.1796 -0.1438 0.0093  -0.0173 16 TYR D OH  
697  N N   . LEU D 17 ? 0.1897 0.1428 0.2211 -0.0650 0.0239  -0.0167 17 LEU D N   
698  C CA  . LEU D 17 ? 0.1533 0.0898 0.1800 -0.0593 0.0281  -0.0163 17 LEU D CA  
699  C C   . LEU D 17 ? 0.1933 0.1165 0.2233 -0.0546 0.0249  -0.0138 17 LEU D C   
700  O O   . LEU D 17 ? 0.2082 0.1174 0.2287 -0.0576 0.0270  -0.0096 17 LEU D O   
701  C CB  . LEU D 17 ? 0.1857 0.1263 0.2219 -0.0513 0.0301  -0.0170 17 LEU D CB  
702  C CG  A LEU D 17 ? 0.2275 0.1700 0.2593 -0.0538 0.0351  -0.0199 17 LEU D CG  
703  C CG  B LEU D 17 ? 0.2220 0.1549 0.2598 -0.0501 0.0388  -0.0157 17 LEU D CG  
704  C CD1 A LEU D 17 ? 0.2301 0.1756 0.2758 -0.0465 0.0388  -0.0198 17 LEU D CD1 
705  C CD1 B LEU D 17 ? 0.2176 0.1385 0.2371 -0.0574 0.0521  -0.0199 17 LEU D CD1 
706  C CD2 A LEU D 17 ? 0.2313 0.1580 0.2427 -0.0621 0.0458  -0.0237 17 LEU D CD2 
707  C CD2 B LEU D 17 ? 0.2008 0.1409 0.2551 -0.0441 0.0405  -0.0151 17 LEU D CD2 
708  N N   . VAL D 18 ? 0.1601 0.0818 0.2011 -0.0461 0.0205  -0.0165 18 VAL D N   
709  C CA  . VAL D 18 ? 0.2145 0.1137 0.2517 -0.0360 0.0141  -0.0149 18 VAL D CA  
710  C C   . VAL D 18 ? 0.2034 0.1049 0.2255 -0.0270 0.0088  -0.0069 18 VAL D C   
711  O O   . VAL D 18 ? 0.2568 0.1348 0.2697 -0.0266 0.0059  -0.0019 18 VAL D O   
712  C CB  . VAL D 18 ? 0.2276 0.1221 0.2664 -0.0232 0.0078  -0.0205 18 VAL D CB  
713  C CG1 . VAL D 18 ? 0.2001 0.0617 0.2225 -0.0108 -0.0011 -0.0203 18 VAL D CG1 
714  C CG2 . VAL D 18 ? 0.1562 0.0609 0.1969 -0.0292 0.0059  -0.0200 18 VAL D CG2 
715  N N   . CYS D 19 ? 0.1808 0.1128 0.2034 -0.0205 0.0063  -0.0024 19 CYS D N   
716  C CA  . CYS D 19 ? 0.1984 0.1389 0.2138 -0.0086 -0.0005 0.0093  19 CYS D CA  
717  C C   . CYS D 19 ? 0.2121 0.1480 0.2134 -0.0249 -0.0027 0.0168  19 CYS D C   
718  O O   . CYS D 19 ? 0.2361 0.1582 0.2270 -0.0184 -0.0082 0.0261  19 CYS D O   
719  C CB  . CYS D 19 ? 0.1884 0.1723 0.2170 0.0023  -0.0027 0.0172  19 CYS D CB  
720  S SG  . CYS D 19 ? 0.1821 0.1715 0.2185 0.0237  0.0038  0.0097  19 CYS D SG  
721  N N   . GLY D 20 ? 0.2199 0.3569 0.2557 0.0742  -0.0998 0.0651  20 GLY D N   
722  C CA  . GLY D 20 ? 0.2170 0.3596 0.2536 0.0798  -0.0863 0.0738  20 GLY D CA  
723  C C   . GLY D 20 ? 0.3237 0.4491 0.3498 0.0816  -0.0863 0.0668  20 GLY D C   
724  O O   . GLY D 20 ? 0.3259 0.4478 0.3427 0.0834  -0.0804 0.0564  20 GLY D O   
725  N N   . GLU D 21 ? 0.2292 0.3456 0.2574 0.0823  -0.0937 0.0741  21 GLU D N   
726  C CA  . GLU D 21 ? 0.3528 0.4522 0.3735 0.0836  -0.0987 0.0721  21 GLU D CA  
727  C C   . GLU D 21 ? 0.2467 0.3372 0.2855 0.0791  -0.1117 0.0654  21 GLU D C   
728  O O   . GLU D 21 ? 0.2883 0.3776 0.3300 0.0808  -0.1108 0.0653  21 GLU D O   
729  C CB  . GLU D 21 ? 0.3375 0.4266 0.3511 0.0860  -0.1060 0.0850  21 GLU D CB  
730  C CG  . GLU D 21 ? 0.3021 0.4100 0.3043 0.0889  -0.0864 0.1014  21 GLU D CG  
731  C CD  . GLU D 21 ? 0.3443 0.4556 0.3396 0.0907  -0.0866 0.1264  21 GLU D CD  
732  O OE1 . GLU D 21 ? 0.4253 0.5165 0.4231 0.0894  -0.1051 0.1267  21 GLU D OE1 
733  O OE2 . GLU D 21 ? 0.3358 0.4711 0.3226 0.0958  -0.0657 0.1486  21 GLU D OE2 
734  N N   . ARG D 22 ? 0.2839 0.3771 0.3369 0.0726  -0.1177 0.0638  22 ARG D N   
735  C CA  . ARG D 22 ? 0.2589 0.3682 0.3251 0.0759  -0.1151 0.0634  22 ARG D CA  
736  C C   . ARG D 22 ? 0.2469 0.3552 0.3001 0.0841  -0.1049 0.0437  22 ARG D C   
737  O O   . ARG D 22 ? 0.2542 0.3618 0.3142 0.0968  -0.1040 0.0311  22 ARG D O   
738  C CB  . ARG D 22 ? 0.2382 0.3619 0.3027 0.0807  -0.1270 0.0598  22 ARG D CB  
739  C CG  . ARG D 22 ? 0.3059 0.4332 0.3749 0.0880  -0.1375 0.0668  22 ARG D CG  
740  C CD  . ARG D 22 ? 0.2924 0.3992 0.3637 0.0811  -0.1660 0.0522  22 ARG D CD  
741  N NE  . ARG D 22 ? 0.2849 0.4200 0.3459 0.0713  -0.1639 0.0579  22 ARG D NE  
742  C CZ  . ARG D 22 ? 0.3645 0.4876 0.4242 0.0560  -0.1900 0.0512  22 ARG D CZ  
743  N NH1 . ARG D 22 ? 0.4407 0.5193 0.5025 0.0491  -0.2224 0.0346  22 ARG D NH1 
744  N NH2 . ARG D 22 ? 0.3511 0.5007 0.4055 0.0494  -0.1870 0.0573  22 ARG D NH2 
745  N N   . GLY D 23 ? 0.2511 0.3620 0.2850 0.0831  -0.0960 0.0381  23 GLY D N   
746  C CA  . GLY D 23 ? 0.2134 0.3288 0.2346 0.0898  -0.0844 0.0239  23 GLY D CA  
747  C C   . GLY D 23 ? 0.2094 0.3333 0.2204 0.0974  -0.0882 0.0101  23 GLY D C   
748  O O   . GLY D 23 ? 0.2275 0.3520 0.2362 0.0975  -0.1024 0.0082  23 GLY D O   
749  N N   . PHE D 24 ? 0.2082 0.3419 0.2070 0.1076  -0.0785 -0.0030 24 PHE D N   
750  C CA  . PHE D 24 ? 0.2311 0.3790 0.2073 0.1222  -0.0828 -0.0219 24 PHE D CA  
751  C C   . PHE D 24 ? 0.2322 0.3999 0.2093 0.1393  -0.0702 -0.0354 24 PHE D C   
752  O O   . PHE D 24 ? 0.2087 0.3742 0.1990 0.1324  -0.0599 -0.0260 24 PHE D O   
753  C CB  . PHE D 24 ? 0.2426 0.3904 0.1929 0.1073  -0.0867 -0.0115 24 PHE D CB  
754  C CG  . PHE D 24 ? 0.2240 0.3731 0.1749 0.0992  -0.0732 0.0024  24 PHE D CG  
755  C CD1 . PHE D 24 ? 0.2040 0.3415 0.1740 0.0877  -0.0700 0.0177  24 PHE D CD1 
756  C CD2 . PHE D 24 ? 0.2343 0.3956 0.1633 0.1056  -0.0651 -0.0023 24 PHE D CD2 
757  C CE1 . PHE D 24 ? 0.1971 0.3379 0.1643 0.0886  -0.0596 0.0235  24 PHE D CE1 
758  C CE2 . PHE D 24 ? 0.2218 0.3816 0.1544 0.1001  -0.0563 0.0100  24 PHE D CE2 
759  C CZ  . PHE D 24 ? 0.2022 0.3486 0.1551 0.0914  -0.0547 0.0213  24 PHE D CZ  
760  N N   . PHE D 25 ? 0.2595 0.4334 0.2201 0.1514  -0.0646 -0.0588 25 PHE D N   
761  C CA  . PHE D 25 ? 0.2715 0.4535 0.2308 0.1542  -0.0357 -0.0701 25 PHE D CA  
762  C C   . PHE D 25 ? 0.3080 0.4832 0.2027 0.1396  -0.0282 -0.0690 25 PHE D C   
763  O O   . PHE D 25 ? 0.4381 0.5894 0.2871 0.1290  -0.0351 -0.0796 25 PHE D O   
764  C CB  . PHE D 25 ? 0.3024 0.4716 0.2883 0.1641  -0.0131 -0.0975 25 PHE D CB  
765  C CG  . PHE D 25 ? 0.3356 0.5196 0.3967 0.1800  -0.0172 -0.0944 25 PHE D CG  
766  C CD1 . PHE D 25 ? 0.3286 0.4966 0.4100 0.1772  -0.0438 -0.0818 25 PHE D CD1 
767  C CD2 . PHE D 25 ? 0.2668 0.4626 0.3684 0.1779  0.0047  -0.0932 25 PHE D CD2 
768  C CE1 . PHE D 25 ? 0.2465 0.4061 0.3749 0.1703  -0.0474 -0.0677 25 PHE D CE1 
769  C CE2 . PHE D 25 ? 0.2633 0.4556 0.4237 0.1744  -0.0039 -0.0793 25 PHE D CE2 
770  C CZ  . PHE D 25 ? 0.2488 0.4225 0.4173 0.1709  -0.0301 -0.0664 25 PHE D CZ  
771  N N   . TYR D 26 ? 0.2966 0.4884 0.1847 0.1371  -0.0178 -0.0550 26 TYR D N   
772  C CA  . TYR D 26 ? 0.3382 0.5222 0.1645 0.1231  -0.0108 -0.0491 26 TYR D CA  
773  C C   . TYR D 26 ? 0.3740 0.5571 0.1906 0.1219  0.0286  -0.0639 26 TYR D C   
774  O O   . TYR D 26 ? 0.3452 0.5494 0.2093 0.1281  0.0445  -0.0588 26 TYR D O   
775  C CB  . TYR D 26 ? 0.3095 0.5021 0.1434 0.1171  -0.0247 -0.0183 26 TYR D CB  
776  C CG  . TYR D 26 ? 0.3563 0.5289 0.1452 0.0973  -0.0202 -0.0071 26 TYR D CG  
777  C CD1 . TYR D 26 ? 0.3973 0.5429 0.1504 0.0787  -0.0379 -0.0037 26 TYR D CD1 
778  C CD2 . TYR D 26 ? 0.3683 0.5468 0.1470 0.0951  -0.0007 0.0016  26 TYR D CD2 
779  C CE1 . TYR D 26 ? 0.4518 0.5741 0.1555 0.0597  -0.0397 0.0080  26 TYR D CE1 
780  C CE2 . TYR D 26 ? 0.4210 0.5760 0.1523 0.0761  0.0010  0.0140  26 TYR D CE2 
781  C CZ  . TYR D 26 ? 0.4642 0.5899 0.1557 0.0591  -0.0199 0.0169  26 TYR D CZ  
782  O OH  . TYR D 26 ? 0.5859 0.6828 0.2221 0.0402  -0.0236 0.0307  26 TYR D OH  
783  N N   . THR D 27 ? 0.4902 0.6470 0.2450 0.1116  0.0446  -0.0815 27 THR D N   
784  C CA  . THR D 27 ? 0.4939 0.6416 0.2346 0.1057  0.0880  -0.0936 27 THR D CA  
785  C C   . THR D 27 ? 0.5753 0.6892 0.2316 0.0795  0.0875  -0.0832 27 THR D C   
786  O O   . THR D 27 ? 0.6195 0.6978 0.2185 0.0660  0.0718  -0.0932 27 THR D O   
787  C CB  . THR D 27 ? 0.7315 0.8620 0.4887 0.1158  0.1154  -0.1282 27 THR D CB  
788  O OG1 . THR D 27 ? 0.7544 0.8455 0.4536 0.1079  0.0970  -0.1451 27 THR D OG1 
789  C CG2 . THR D 27 ? 0.4763 0.6366 0.3302 0.1396  0.1108  -0.1326 27 THR D CG2 
790  N N   . PRO D 28 ? 0.5773 0.6970 0.2221 0.0694  0.1011  -0.0626 28 PRO D N   
791  C CA  . PRO D 28 ? 0.6546 0.7365 0.2164 0.0435  0.0988  -0.0506 28 PRO D CA  
792  C C   . PRO D 28 ? 0.7500 0.7976 0.2524 0.0314  0.1422  -0.0765 28 PRO D C   
793  O O   . PRO D 28 ? 0.7501 0.8077 0.2902 0.0444  0.1794  -0.1021 28 PRO D O   
794  C CB  . PRO D 28 ? 0.6315 0.7316 0.2110 0.0403  0.1009  -0.0197 28 PRO D CB  
795  C CG  . PRO D 28 ? 0.5420 0.6898 0.2111 0.0632  0.1045  -0.0179 28 PRO D CG  
796  C CD  . PRO D 28 ? 0.5253 0.6829 0.2312 0.0793  0.1177  -0.0487 28 PRO D CD  
797  N N   . LYS D 29 ? 0.8646 0.8711 0.2834 0.0071  0.1348  -0.0680 29 LYS D N   
798  C CA  . LYS D 29 ? 0.9222 0.9951 0.3253 0.0324  0.1542  -0.0872 29 LYS D CA  
799  C C   . LYS D 29 ? 0.9668 1.0611 0.3940 0.0366  0.2051  -0.0842 29 LYS D C   
800  O O   . LYS D 29 ? 1.1188 1.2094 0.5295 0.0444  0.2459  -0.1081 29 LYS D O   
801  C CB  . LYS D 29 ? 0.9844 1.0267 0.2960 0.0250  0.1300  -0.0708 29 LYS D CB  
802  C CG  . LYS D 29 ? 1.0835 1.1261 0.3856 0.0216  0.1196  -0.0277 29 LYS D CG  
803  C CD  . LYS D 29 ? 1.1217 1.1685 0.3754 0.0127  0.1607  -0.0219 29 LYS D CD  
804  C CE  . LYS D 29 ? 1.1385 1.1856 0.3966 0.0087  0.1548  0.0215  29 LYS D CE  
805  N NZ  . LYS D 29 ? 1.3097 1.3609 0.5175 -0.0028 0.1945  0.0316  29 LYS D NZ  
806  O OXT . LYS D 29 ? 1.0085 1.1278 0.4786 0.0151  0.2082  -0.0635 29 LYS D OXT 
807  N N   . GLY E 1  ? 0.3723 0.3726 0.4525 0.0999  -0.0666 0.0680  1  GLY E N   
808  C CA  . GLY E 1  ? 0.3483 0.3092 0.4315 0.1019  -0.0501 0.0515  1  GLY E CA  
809  C C   . GLY E 1  ? 0.3310 0.2950 0.3976 0.0855  -0.0350 0.0273  1  GLY E C   
810  O O   . GLY E 1  ? 0.3264 0.3134 0.3738 0.0712  -0.0378 0.0214  1  GLY E O   
811  N N   . ILE E 2  ? 0.3616 0.2986 0.4321 0.0902  -0.0210 0.0121  2  ILE E N   
812  C CA  . ILE E 2  ? 0.3144 0.2461 0.3674 0.0799  -0.0078 -0.0082 2  ILE E CA  
813  C C   . ILE E 2  ? 0.3010 0.2305 0.3225 0.0699  -0.0056 -0.0092 2  ILE E C   
814  O O   . ILE E 2  ? 0.3047 0.2360 0.3037 0.0636  -0.0015 -0.0249 2  ILE E O   
815  C CB  . ILE E 2  ? 0.3133 0.2217 0.3747 0.0907  0.0054  -0.0208 2  ILE E CB  
816  C CG1 . ILE E 2  ? 0.2751 0.1751 0.3180 0.0831  0.0170  -0.0372 2  ILE E CG1 
817  C CG2 . ILE E 2  ? 0.2863 0.1678 0.3442 0.0960  0.0056  -0.0176 2  ILE E CG2 
818  C CD1 . ILE E 2  ? 0.2931 0.1772 0.3396 0.0945  0.0296  -0.0464 2  ILE E CD1 
819  N N   . VAL E 3  ? 0.3109 0.2372 0.3295 0.0687  -0.0087 0.0079  3  VAL E N   
820  C CA  . VAL E 3  ? 0.3401 0.2819 0.3324 0.0599  -0.0036 0.0096  3  VAL E CA  
821  C C   . VAL E 3  ? 0.4126 0.3874 0.3808 0.0541  -0.0108 0.0129  3  VAL E C   
822  O O   . VAL E 3  ? 0.4392 0.4323 0.3783 0.0534  -0.0044 0.0010  3  VAL E O   
823  C CB  . VAL E 3  ? 0.4256 0.3610 0.4253 0.0525  -0.0052 0.0319  3  VAL E CB  
824  C CG1 . VAL E 3  ? 0.5764 0.5174 0.5776 0.0465  -0.0197 0.0639  3  VAL E CG1 
825  C CG2 . VAL E 3  ? 0.5240 0.4865 0.5059 0.0449  0.0061  0.0290  3  VAL E CG2 
826  N N   . GLU E 4  ? 0.3820 0.3689 0.3594 0.0536  -0.0252 0.0267  4  GLU E N   
827  C CA  . GLU E 4  ? 0.3718 0.3947 0.3240 0.0481  -0.0358 0.0291  4  GLU E CA  
828  C C   . GLU E 4  ? 0.3775 0.4039 0.3230 0.0442  -0.0407 0.0011  4  GLU E C   
829  O O   . GLU E 4  ? 0.4545 0.5066 0.3718 0.0387  -0.0508 -0.0068 4  GLU E O   
830  C CB  . GLU E 4  ? 0.4715 0.5114 0.4348 0.0499  -0.0527 0.0614  4  GLU E CB  
831  C CG  . GLU E 4  ? 0.6185 0.6460 0.5823 0.0475  -0.0523 0.0950  4  GLU E CG  
832  C CD  . GLU E 4  ? 0.4932 0.4804 0.4908 0.0587  -0.0601 0.1103  4  GLU E CD  
833  O OE1 . GLU E 4  ? 0.5449 0.5317 0.5660 0.0726  -0.0659 0.0987  4  GLU E OE1 
834  O OE2 . GLU E 4  ? 0.7045 0.6617 0.7050 0.0535  -0.0612 0.1332  4  GLU E OE2 
835  N N   . GLN E 5  ? 0.3534 0.3548 0.3214 0.0446  -0.0350 -0.0136 5  GLN E N   
836  C CA  . GLN E 5  ? 0.3637 0.3631 0.3292 0.0330  -0.0408 -0.0352 5  GLN E CA  
837  C C   . GLN E 5  ? 0.3705 0.3288 0.3148 0.0321  -0.0289 -0.0601 5  GLN E C   
838  O O   . GLN E 5  ? 0.4022 0.3467 0.3232 0.0211  -0.0367 -0.0811 5  GLN E O   
839  C CB  . GLN E 5  ? 0.3661 0.3796 0.3757 0.0307  -0.0447 -0.0270 5  GLN E CB  
840  C CG  . GLN E 5  ? 0.4887 0.5444 0.5207 0.0375  -0.0603 -0.0040 5  GLN E CG  
841  C CD  . GLN E 5  ? 0.5793 0.6601 0.6578 0.0434  -0.0616 0.0024  5  GLN E CD  
842  O OE1 . GLN E 5  ? 0.5349 0.6079 0.6281 0.0367  -0.0502 -0.0092 5  GLN E OE1 
843  N NE2 . GLN E 5  ? 0.5912 0.7065 0.6919 0.0587  -0.0751 0.0229  5  GLN E NE2 
844  N N   . CYS E 6  ? 0.3881 0.3228 0.3377 0.0440  -0.0128 -0.0588 6  CYS E N   
845  C CA  . CYS E 6  ? 0.3805 0.2761 0.3107 0.0487  -0.0023 -0.0784 6  CYS E CA  
846  C C   . CYS E 6  ? 0.3729 0.2677 0.2729 0.0643  0.0060  -0.0869 6  CYS E C   
847  O O   . CYS E 6  ? 0.4111 0.2750 0.2925 0.0755  0.0137  -0.1030 6  CYS E O   
848  C CB  . CYS E 6  ? 0.3350 0.2133 0.2921 0.0531  0.0090  -0.0724 6  CYS E CB  
849  S SG  . CYS E 6  ? 0.3310 0.2247 0.3236 0.0368  0.0039  -0.0644 6  CYS E SG  
850  N N   . CYS E 7  ? 0.1359 0.3862 0.2788 0.0250  -0.0189 -0.1916 7  CYS E N   
851  C CA  . CYS E 7  ? 0.1306 0.3426 0.2509 0.0352  -0.0268 -0.1709 7  CYS E CA  
852  C C   . CYS E 7  ? 0.1975 0.4131 0.3248 0.0371  -0.0287 -0.1700 7  CYS E C   
853  O O   . CYS E 7  ? 0.2328 0.4249 0.3485 0.0418  -0.0329 -0.1578 7  CYS E O   
854  C CB  . CYS E 7  ? 0.1953 0.3780 0.2948 0.0546  -0.0414 -0.1457 7  CYS E CB  
855  S SG  . CYS E 7  ? 0.1349 0.3091 0.2247 0.0575  -0.0430 -0.1432 7  CYS E SG  
856  N N   . THR E 8  ? 0.2201 0.4579 0.3603 0.0337  -0.0258 -0.1805 8  THR E N   
857  C CA  . THR E 8  ? 0.2541 0.4954 0.3996 0.0320  -0.0243 -0.1827 8  THR E CA  
858  C C   . THR E 8  ? 0.1579 0.4225 0.3217 0.0089  -0.0069 -0.2050 8  THR E C   
859  O O   . THR E 8  ? 0.1414 0.4021 0.3069 0.0045  -0.0035 -0.2054 8  THR E O   
860  C CB  . THR E 8  ? 0.1463 0.3976 0.2951 0.0400  -0.0290 -0.1819 8  THR E CB  
861  O OG1 . THR E 8  ? 0.2480 0.5328 0.4147 0.0297  -0.0212 -0.2030 8  THR E OG1 
862  C CG2 . THR E 8  ? 0.2537 0.4781 0.3837 0.0549  -0.0386 -0.1592 8  THR E CG2 
863  N N   . SER E 9  ? 0.2121 0.4955 0.3866 -0.0085 0.0067  -0.2216 9  SER E N   
864  C CA  . SER E 9  ? 0.2210 0.5014 0.3941 -0.0356 0.0284  -0.2350 9  SER E CA  
865  C C   . SER E 9  ? 0.2487 0.4938 0.3929 -0.0492 0.0409  -0.2312 9  SER E C   
866  O O   . SER E 9  ? 0.1985 0.4421 0.3376 -0.0400 0.0337  -0.2267 9  SER E O   
867  C CB  . SER E 9  ? 0.2695 0.5899 0.4682 -0.0433 0.0342  -0.2550 9  SER E CB  
868  O OG  . SER E 9  ? 0.3479 0.6855 0.5521 -0.0389 0.0302  -0.2610 9  SER E OG  
869  N N   . ILE E 10 ? 0.3240 0.5413 0.4504 -0.0706 0.0604  -0.2327 10 ILE E N   
870  C CA  . ILE E 10 ? 0.2590 0.4421 0.3588 -0.0836 0.0746  -0.2287 10 ILE E CA  
871  C C   . ILE E 10 ? 0.2783 0.5004 0.4036 -0.0958 0.0836  -0.2493 10 ILE E C   
872  O O   . ILE E 10 ? 0.4615 0.7238 0.6180 -0.1094 0.0924  -0.2692 10 ILE E O   
873  C CB  . ILE E 10 ? 0.4093 0.5541 0.4865 -0.1023 0.0938  -0.2235 10 ILE E CB  
874  C CG1 . ILE E 10 ? 0.4061 0.5169 0.4612 -0.0899 0.0837  -0.2042 10 ILE E CG1 
875  C CG2 . ILE E 10 ? 0.3791 0.4876 0.4290 -0.1134 0.1083  -0.2169 10 ILE E CG2 
876  C CD1 . ILE E 10 ? 0.5678 0.6449 0.6040 -0.1074 0.1020  -0.1983 10 ILE E CD1 
877  N N   . CYS E 11 ? 0.2662 0.4775 0.3788 -0.0911 0.0813  -0.2449 11 CYS E N   
878  C CA  . CYS E 11 ? 0.2991 0.5443 0.4331 -0.1014 0.0884  -0.2629 11 CYS E CA  
879  C C   . CYS E 11 ? 0.3046 0.5197 0.4187 -0.1241 0.1115  -0.2648 11 CYS E C   
880  O O   . CYS E 11 ? 0.3200 0.4854 0.3980 -0.1223 0.1155  -0.2472 11 CYS E O   
881  C CB  . CYS E 11 ? 0.2547 0.5105 0.3900 -0.0821 0.0718  -0.2579 11 CYS E CB  
882  S SG  . CYS E 11 ? 0.2146 0.5322 0.3934 -0.0609 0.0489  -0.2664 11 CYS E SG  
883  N N   . SER E 12 ? 0.3154 0.5621 0.4547 -0.1452 0.1266  -0.2861 12 SER E N   
884  C CA  . SER E 12 ? 0.3472 0.5704 0.4727 -0.1681 0.1493  -0.2901 12 SER E CA  
885  C C   . SER E 12 ? 0.3531 0.5665 0.4651 -0.1619 0.1466  -0.2863 12 SER E C   
886  O O   . SER E 12 ? 0.3318 0.5676 0.4534 -0.1432 0.1287  -0.2857 12 SER E O   
887  C CB  . SER E 12 ? 0.3562 0.6187 0.5151 -0.1925 0.1653  -0.3154 12 SER E CB  
888  O OG  . SER E 12 ? 0.4312 0.6728 0.5790 -0.2150 0.1868  -0.3205 12 SER E OG  
889  N N   . LEU E 13 ? 0.4760 0.4123 0.5737 -0.0092 -0.0897 -0.0180 13 LEU E N   
890  C CA  . LEU E 13 ? 0.4085 0.3432 0.4813 -0.0145 -0.0892 -0.0083 13 LEU E CA  
891  C C   . LEU E 13 ? 0.3045 0.2770 0.3682 -0.0328 -0.0587 0.0032  13 LEU E C   
892  O O   . LEU E 13 ? 0.2810 0.2737 0.3439 -0.0308 -0.0469 0.0033  13 LEU E O   
893  C CB  . LEU E 13 ? 0.4120 0.2836 0.4319 -0.0238 -0.1188 0.0048  13 LEU E CB  
894  C CG  . LEU E 13 ? 0.5103 0.3416 0.5355 -0.0011 -0.1556 -0.0059 13 LEU E CG  
895  C CD1 . LEU E 13 ? 0.4081 0.2796 0.4833 0.0222  -0.1515 -0.0249 13 LEU E CD1 
896  C CD2 . LEU E 13 ? 0.5162 0.3162 0.5521 0.0090  -0.1753 -0.0143 13 LEU E CD2 
897  N N   . TYR E 14 ? 0.3197 0.3027 0.3783 -0.0501 -0.0466 0.0115  14 TYR E N   
898  C CA  . TYR E 14 ? 0.2663 0.2940 0.3281 -0.0640 -0.0184 0.0191  14 TYR E CA  
899  C C   . TYR E 14 ? 0.2079 0.2839 0.3145 -0.0472 0.0006  0.0071  14 TYR E C   
900  O O   . TYR E 14 ? 0.1877 0.2964 0.2998 -0.0477 0.0198  0.0090  14 TYR E O   
901  C CB  . TYR E 14 ? 0.3340 0.3635 0.3829 -0.0878 -0.0134 0.0301  14 TYR E CB  
902  C CG  . TYR E 14 ? 0.2827 0.3661 0.3454 -0.0999 0.0139  0.0354  14 TYR E CG  
903  C CD1 . TYR E 14 ? 0.3244 0.4193 0.3643 -0.1145 0.0274  0.0436  14 TYR E CD1 
904  C CD2 . TYR E 14 ? 0.2618 0.3842 0.3599 -0.0963 0.0253  0.0310  14 TYR E CD2 
905  C CE1 . TYR E 14 ? 0.3065 0.4557 0.3664 -0.1223 0.0523  0.0451  14 TYR E CE1 
906  C CE2 . TYR E 14 ? 0.2833 0.4561 0.3990 -0.1039 0.0461  0.0347  14 TYR E CE2 
907  C CZ  . TYR E 14 ? 0.2537 0.4424 0.3541 -0.1155 0.0599  0.0408  14 TYR E CZ  
908  O OH  . TYR E 14 ? 0.2723 0.4926 0.3895 -0.1086 0.0751  0.0380  14 TYR E OH  
909  N N   . GLN E 15 ? 0.2099 0.2880 0.3457 -0.0331 -0.0041 -0.0059 15 GLN E N   
910  C CA  . GLN E 15 ? 0.2173 0.3329 0.3874 -0.0204 0.0127  -0.0168 15 GLN E CA  
911  C C   . GLN E 15 ? 0.1300 0.2515 0.3067 -0.0070 0.0149  -0.0239 15 GLN E C   
912  O O   . GLN E 15 ? 0.1079 0.2580 0.2974 -0.0025 0.0320  -0.0263 15 GLN E O   
913  C CB  . GLN E 15 ? 0.1931 0.3061 0.3868 -0.0121 0.0088  -0.0307 15 GLN E CB  
914  C CG  . GLN E 15 ? 0.3363 0.4473 0.5241 -0.0259 0.0097  -0.0251 15 GLN E CG  
915  C CD  . GLN E 15 ? 0.3941 0.5219 0.6047 -0.0209 0.0193  -0.0374 15 GLN E CD  
916  O OE1 . GLN E 15 ? 0.3541 0.5031 0.5724 -0.0143 0.0323  -0.0403 15 GLN E OE1 
917  N NE2 . GLN E 15 ? 0.2969 0.4045 0.5043 -0.0250 0.0115  -0.0431 15 GLN E NE2 
918  N N   . LEU E 16 ? 0.1693 0.2610 0.3359 -0.0005 -0.0048 -0.0277 16 LEU E N   
919  C CA  . LEU E 16 ? 0.1732 0.2682 0.3422 0.0094  -0.0054 -0.0340 16 LEU E CA  
920  C C   . LEU E 16 ? 0.1611 0.2629 0.3023 -0.0003 0.0078  -0.0223 16 LEU E C   
921  O O   . LEU E 16 ? 0.1492 0.2636 0.2944 0.0066  0.0166  -0.0277 16 LEU E O   
922  C CB  . LEU E 16 ? 0.1842 0.2448 0.3477 0.0183  -0.0342 -0.0398 16 LEU E CB  
923  C CG  . LEU E 16 ? 0.1713 0.2359 0.3758 0.0353  -0.0456 -0.0600 16 LEU E CG  
924  C CD1 . LEU E 16 ? 0.1387 0.2434 0.3780 0.0386  -0.0212 -0.0721 16 LEU E CD1 
925  C CD2 . LEU E 16 ? 0.2485 0.2845 0.4518 0.0373  -0.0641 -0.0615 16 LEU E CD2 
926  N N   . GLU E 17 ? 0.1889 0.2826 0.3011 -0.0176 0.0107  -0.0079 17 GLU E N   
927  C CA  . GLU E 17 ? 0.1989 0.3029 0.2857 -0.0283 0.0268  0.0004  17 GLU E CA  
928  C C   . GLU E 17 ? 0.1600 0.3088 0.2729 -0.0218 0.0524  -0.0038 17 GLU E C   
929  O O   . GLU E 17 ? 0.1668 0.3269 0.2668 -0.0230 0.0669  -0.0032 17 GLU E O   
930  C CB  . GLU E 17 ? 0.2352 0.3266 0.2887 -0.0523 0.0275  0.0152  17 GLU E CB  
931  C CG  . GLU E 17 ? 0.3222 0.3578 0.3348 -0.0616 0.0005  0.0225  17 GLU E CG  
932  C CD  . GLU E 17 ? 0.4317 0.4507 0.3960 -0.0907 0.0060  0.0378  17 GLU E CD  
933  O OE1 . GLU E 17 ? 0.4520 0.5069 0.4153 -0.1012 0.0328  0.0398  17 GLU E OE1 
934  O OE2 . GLU E 17 ? 0.6379 0.6071 0.5647 -0.1036 -0.0164 0.0470  17 GLU E OE2 
935  N N   . ASN E 18 ? 0.1256 0.2963 0.2716 -0.0148 0.0573  -0.0086 18 ASN E N   
936  C CA  . ASN E 18 ? 0.1116 0.3037 0.2701 -0.0051 0.0723  -0.0078 18 ASN E CA  
937  C C   . ASN E 18 ? 0.1027 0.2829 0.2538 0.0092  0.0722  -0.0128 18 ASN E C   
938  O O   . ASN E 18 ? 0.1094 0.2822 0.2500 0.0170  0.0775  -0.0056 18 ASN E O   
939  C CB  . ASN E 18 ? 0.0922 0.2774 0.2551 0.0001  0.0645  -0.0018 18 ASN E CB  
940  C CG  . ASN E 18 ? 0.1278 0.3208 0.2986 -0.0139 0.0662  0.0042  18 ASN E CG  
941  O OD1 . ASN E 18 ? 0.1219 0.3240 0.2863 -0.0261 0.0742  0.0068  18 ASN E OD1 
942  N ND2 . ASN E 18 ? 0.0978 0.2892 0.2730 -0.0150 0.0578  0.0039  18 ASN E ND2 
943  N N   . TYR E 19 ? 0.1055 0.2805 0.2668 0.0122  0.0647  -0.0268 19 TYR E N   
944  C CA  . TYR E 19 ? 0.1026 0.2653 0.2567 0.0219  0.0632  -0.0328 19 TYR E CA  
945  C C   . TYR E 19 ? 0.1258 0.2813 0.2622 0.0195  0.0632  -0.0373 19 TYR E C   
946  O O   . TYR E 19 ? 0.1564 0.3027 0.2911 0.0259  0.0592  -0.0461 19 TYR E O   
947  C CB  . TYR E 19 ? 0.0961 0.2450 0.2612 0.0264  0.0495  -0.0408 19 TYR E CB  
948  C CG  . TYR E 19 ? 0.0893 0.2319 0.2474 0.0246  0.0479  -0.0333 19 TYR E CG  
949  C CD1 . TYR E 19 ? 0.1064 0.2429 0.2470 0.0265  0.0516  -0.0257 19 TYR E CD1 
950  C CD2 . TYR E 19 ? 0.0867 0.2305 0.2584 0.0212  0.0421  -0.0363 19 TYR E CD2 
951  C CE1 . TYR E 19 ? 0.1858 0.3198 0.3265 0.0230  0.0509  -0.0259 19 TYR E CE1 
952  C CE2 . TYR E 19 ? 0.1480 0.2872 0.3126 0.0187  0.0423  -0.0327 19 TYR E CE2 
953  C CZ  . TYR E 19 ? 0.2135 0.3485 0.3618 0.0195  0.0467  -0.0269 19 TYR E CZ  
954  O OH  . TYR E 19 ? 0.2313 0.3637 0.3798 0.0155  0.0475  -0.0290 19 TYR E OH  
955  N N   . CYS E 20 ? 0.1540 0.3004 0.2615 0.0072  0.0632  -0.0266 20 CYS E N   
956  C CA  . CYS E 20 ? 0.1922 0.3179 0.2604 0.0010  0.0624  -0.0245 20 CYS E CA  
957  C C   . CYS E 20 ? 0.2105 0.3580 0.2742 0.0041  0.0882  -0.0278 20 CYS E C   
958  O O   . CYS E 20 ? 0.1737 0.3527 0.2624 0.0090  0.1049  -0.0281 20 CYS E O   
959  C CB  . CYS E 20 ? 0.2331 0.3359 0.2645 -0.0175 0.0539  -0.0118 20 CYS E CB  
960  S SG  . CYS E 20 ? 0.2491 0.3165 0.2805 -0.0186 0.0196  -0.0082 20 CYS E SG  
961  N N   . ASN E 21 ? 0.2344 0.3626 0.2651 0.0023  0.0897  -0.0312 21 ASN E N   
962  C CA  . ASN E 21 ? 0.2280 0.3719 0.2504 0.0067  0.1143  -0.0371 21 ASN E CA  
963  C C   . ASN E 21 ? 0.2627 0.4237 0.2677 -0.0076 0.1332  -0.0306 21 ASN E C   
964  O O   . ASN E 21 ? 0.4521 0.6234 0.4619 0.0010  0.1479  -0.0310 21 ASN E O   
965  C CB  . ASN E 21 ? 0.2598 0.3745 0.2493 0.0084  0.1100  -0.0449 21 ASN E CB  
966  C CG  . ASN E 21 ? 0.2435 0.3491 0.2547 0.0207  0.0957  -0.0538 21 ASN E CG  
967  O OD1 . ASN E 21 ? 0.2649 0.3896 0.3147 0.0299  0.0971  -0.0564 21 ASN E OD1 
968  N ND2 . ASN E 21 ? 0.2722 0.3484 0.2566 0.0183  0.0819  -0.0590 21 ASN E ND2 
969  O OXT . ASN E 21 ? 0.2710 0.4201 0.2557 -0.0254 0.1250  -0.0201 21 ASN E OXT 
970  N N   . PHE F 1  ? 0.6277 0.4264 0.4346 0.1180  0.2017  0.1535  1  PHE F N   
971  C CA  . PHE F 1  ? 0.6377 0.4792 0.4545 0.1091  0.1820  0.1288  1  PHE F CA  
972  C C   . PHE F 1  ? 0.5034 0.3422 0.3539 0.0866  0.1668  0.1025  1  PHE F C   
973  O O   . PHE F 1  ? 0.4612 0.2911 0.3173 0.0877  0.1548  0.0967  1  PHE F O   
974  C CB  . PHE F 1  ? 0.6852 0.5699 0.4815 0.1305  0.1615  0.1265  1  PHE F CB  
975  C CG  . PHE F 1  ? 0.5491 0.4749 0.3443 0.1267  0.1539  0.1085  1  PHE F CG  
976  C CD1 . PHE F 1  ? 0.6641 0.5912 0.4881 0.1055  0.1557  0.0891  1  PHE F CD1 
977  C CD2 . PHE F 1  ? 0.8008 0.7669 0.5675 0.1444  0.1460  0.1102  1  PHE F CD2 
978  C CE1 . PHE F 1  ? 0.7293 0.6910 0.5561 0.1036  0.1523  0.0718  1  PHE F CE1 
979  C CE2 . PHE F 1  ? 0.8490 0.8508 0.6147 0.1394  0.1423  0.0892  1  PHE F CE2 
980  C CZ  . PHE F 1  ? 0.8367 0.8331 0.6336 0.1198  0.1469  0.0700  1  PHE F CZ  
981  N N   . VAL F 2  ? 0.5032 0.3531 0.3765 0.0669  0.1681  0.0883  2  VAL F N   
982  C CA  . VAL F 2  ? 0.5513 0.4064 0.4571 0.0463  0.1530  0.0675  2  VAL F CA  
983  C C   . VAL F 2  ? 0.3835 0.2672 0.2944 0.0547  0.1264  0.0527  2  VAL F C   
984  O O   . VAL F 2  ? 0.3591 0.2407 0.2859 0.0458  0.1121  0.0425  2  VAL F O   
985  C CB  . VAL F 2  ? 0.4231 0.2918 0.3555 0.0269  0.1601  0.0594  2  VAL F CB  
986  C CG1 . VAL F 2  ? 0.4107 0.2915 0.3773 0.0072  0.1432  0.0425  2  VAL F CG1 
987  C CG2 . VAL F 2  ? 0.4499 0.2902 0.3790 0.0162  0.1886  0.0733  2  VAL F CG2 
988  N N   . ASN F 3  ? 0.3829 0.2947 0.2803 0.0703  0.1207  0.0503  3  ASN F N   
989  C CA  . ASN F 3  ? 0.3540 0.2916 0.2576 0.0768  0.0982  0.0344  3  ASN F CA  
990  C C   . ASN F 3  ? 0.4390 0.3661 0.3323 0.0857  0.0880  0.0391  3  ASN F C   
991  O O   . ASN F 3  ? 0.3237 0.2602 0.2329 0.0821  0.0706  0.0260  3  ASN F O   
992  C CB  . ASN F 3  ? 0.4080 0.3774 0.2941 0.0902  0.0974  0.0286  3  ASN F CB  
993  C CG  . ASN F 3  ? 0.6023 0.5982 0.5092 0.0879  0.0799  0.0043  3  ASN F CG  
994  O OD1 . ASN F 3  ? 0.6044 0.5965 0.5313 0.0823  0.0654  -0.0033 3  ASN F OD1 
995  N ND2 . ASN F 3  ? 0.5753 0.5970 0.4777 0.0915  0.0836  -0.0087 3  ASN F ND2 
996  N N   . GLN F 4  ? 0.4611 0.3682 0.3300 0.0985  0.1004  0.0594  4  GLN F N   
997  C CA  . GLN F 4  ? 0.4112 0.3056 0.2748 0.1080  0.0947  0.0654  4  GLN F CA  
998  C C   . GLN F 4  ? 0.4222 0.2911 0.3072 0.0887  0.0937  0.0562  4  GLN F C   
999  O O   . GLN F 4  ? 0.4055 0.2788 0.2981 0.0890  0.0800  0.0478  4  GLN F O   
1000 C CB  . GLN F 4  ? 0.6059 0.4802 0.4441 0.1271  0.1128  0.0928  4  GLN F CB  
1001 C CG  . GLN F 4  ? 0.5909 0.4460 0.4287 0.1381  0.1126  0.1011  4  GLN F CG  
1002 C CD  . GLN F 4  ? 0.8116 0.6251 0.6378 0.1485  0.1396  0.1276  4  GLN F CD  
1003 O OE1 . GLN F 4  ? 0.7488 0.5451 0.5678 0.1443  0.1589  0.1397  4  GLN F OE1 
1004 N NE2 . GLN F 4  ? 0.9390 0.7356 0.7670 0.1615  0.1431  0.1363  4  GLN F NE2 
1005 N N   . HIS F 5  ? 0.4605 0.3062 0.3552 0.0703  0.1085  0.0567  5  HIS F N   
1006 C CA  . HIS F 5  ? 0.3798 0.2072 0.2919 0.0488  0.1076  0.0460  5  HIS F CA  
1007 C C   . HIS F 5  ? 0.3290 0.1859 0.2637 0.0368  0.0850  0.0287  5  HIS F C   
1008 O O   . HIS F 5  ? 0.3160 0.1699 0.2582 0.0275  0.0760  0.0207  5  HIS F O   
1009 C CB  . HIS F 5  ? 0.4282 0.2317 0.3474 0.0291  0.1282  0.0482  5  HIS F CB  
1010 C CG  . HIS F 5  ? 0.4750 0.2641 0.4088 0.0038  0.1285  0.0347  5  HIS F CG  
1011 N ND1 . HIS F 5  ? 0.4316 0.2475 0.3885 -0.0170 0.1133  0.0205  5  HIS F ND1 
1012 C CD2 . HIS F 5  ? 0.4317 0.1850 0.3601 -0.0042 0.1428  0.0326  5  HIS F CD2 
1013 C CE1 . HIS F 5  ? 0.4420 0.2442 0.4036 -0.0382 0.1162  0.0100  5  HIS F CE1 
1014 N NE2 . HIS F 5  ? 0.5144 0.2766 0.4589 -0.0320 0.1351  0.0146  5  HIS F NE2 
1015 N N   . LEU F 6  ? 0.3635 0.2483 0.3101 0.0372  0.0776  0.0238  6  LEU F N   
1016 C CA  . LEU F 6  ? 0.2758 0.1860 0.2481 0.0287  0.0588  0.0111  6  LEU F CA  
1017 C C   . LEU F 6  ? 0.2867 0.2072 0.2559 0.0397  0.0430  0.0058  6  LEU F C   
1018 O O   . LEU F 6  ? 0.2468 0.1737 0.2318 0.0303  0.0306  -0.0003 6  LEU F O   
1019 C CB  . LEU F 6  ? 0.2663 0.2003 0.2545 0.0300  0.0589  0.0067  6  LEU F CB  
1020 C CG  . LEU F 6  ? 0.2797 0.2110 0.2771 0.0187  0.0747  0.0112  6  LEU F CG  
1021 C CD1 . LEU F 6  ? 0.2679 0.2258 0.2865 0.0214  0.0744  0.0045  6  LEU F CD1 
1022 C CD2 . LEU F 6  ? 0.2756 0.2010 0.2909 -0.0040 0.0740  0.0105  6  LEU F CD2 
1023 N N   . CYS F 7  ? 0.2839 0.2103 0.2334 0.0590  0.0433  0.0088  7  CYS F N   
1024 C CA  . CYS F 7  ? 0.2966 0.2376 0.2458 0.0684  0.0287  0.0025  7  CYS F CA  
1025 C C   . CYS F 7  ? 0.2619 0.1843 0.2072 0.0661  0.0284  0.0061  7  CYS F C   
1026 O O   . CYS F 7  ? 0.2758 0.2081 0.2327 0.0628  0.0160  -0.0015 7  CYS F O   
1027 C CB  . CYS F 7  ? 0.3023 0.2616 0.2304 0.0885  0.0285  0.0052  7  CYS F CB  
1028 S SG  . CYS F 7  ? 0.2618 0.2478 0.1933 0.0981  0.0104  -0.0049 7  CYS F SG  
1029 N N   . GLY F 8  ? 0.3009 0.1944 0.2310 0.0675  0.0446  0.0172  8  GLY F N   
1030 C CA  . GLY F 8  ? 0.2950 0.1675 0.2219 0.0653  0.0487  0.0179  8  GLY F CA  
1031 C C   . GLY F 8  ? 0.2817 0.1534 0.2244 0.0418  0.0419  0.0062  8  GLY F C   
1032 O O   . GLY F 8  ? 0.2839 0.1557 0.2283 0.0396  0.0365  0.0011  8  GLY F O   
1033 N N   . SER F 9  ? 0.2706 0.1462 0.2254 0.0242  0.0420  0.0031  9  SER F N   
1034 C CA  . SER F 9  ? 0.2558 0.1402 0.2253 0.0021  0.0333  -0.0050 9  SER F CA  
1035 C C   . SER F 9  ? 0.2267 0.1379 0.2110 0.0043  0.0139  -0.0087 9  SER F C   
1036 O O   . SER F 9  ? 0.2190 0.1359 0.2075 -0.0079 0.0068  -0.0122 9  SER F O   
1037 C CB  . SER F 9  ? 0.2546 0.1473 0.2388 -0.0147 0.0357  -0.0052 9  SER F CB  
1038 O OG  . SER F 9  ? 0.4638 0.3764 0.4610 -0.0050 0.0305  -0.0024 9  SER F OG  
1039 N N   . HIS F 10 ? 0.2123 0.1404 0.2046 0.0182  0.0069  -0.0085 10 HIS F N   
1040 C CA  . HIS F 10 ? 0.1896 0.1379 0.1981 0.0203  -0.0079 -0.0130 10 HIS F CA  
1041 C C   . HIS F 10 ? 0.2328 0.1795 0.2301 0.0307  -0.0101 -0.0152 10 HIS F C   
1042 O O   . HIS F 10 ? 0.2205 0.1791 0.2299 0.0271  -0.0198 -0.0184 10 HIS F O   
1043 C CB  . HIS F 10 ? 0.1899 0.1554 0.2138 0.0286  -0.0118 -0.0170 10 HIS F CB  
1044 C CG  . HIS F 10 ? 0.1995 0.1732 0.2457 0.0189  -0.0114 -0.0148 10 HIS F CG  
1045 N ND1 . HIS F 10 ? 0.2730 0.2602 0.3466 0.0094  -0.0208 -0.0119 10 HIS F ND1 
1046 C CD2 . HIS F 10 ? 0.1860 0.1587 0.2335 0.0181  -0.0018 -0.0128 10 HIS F CD2 
1047 C CE1 . HIS F 10 ? 0.2250 0.2214 0.3180 0.0046  -0.0180 -0.0082 10 HIS F CE1 
1048 N NE2 . HIS F 10 ? 0.2113 0.1991 0.2893 0.0089  -0.0062 -0.0101 10 HIS F NE2 
1049 N N   . LEU F 11 ? 0.2116 0.1454 0.1882 0.0446  -0.0004 -0.0114 11 LEU F N   
1050 C CA  . LEU F 11 ? 0.2218 0.1574 0.1915 0.0561  -0.0015 -0.0116 11 LEU F CA  
1051 C C   . LEU F 11 ? 0.2201 0.1408 0.1877 0.0440  0.0027  -0.0135 11 LEU F C   
1052 O O   . LEU F 11 ? 0.2104 0.1424 0.1843 0.0443  -0.0035 -0.0175 11 LEU F O   
1053 C CB  . LEU F 11 ? 0.3213 0.2492 0.2719 0.0767  0.0089  -0.0022 11 LEU F CB  
1054 C CG  . LEU F 11 ? 0.3047 0.2636 0.2543 0.0943  -0.0005 -0.0031 11 LEU F CG  
1055 C CD1 . LEU F 11 ? 0.4048 0.3868 0.3694 0.0942  -0.0131 -0.0124 11 LEU F CD1 
1056 C CD2 . LEU F 11 ? 0.3524 0.3265 0.3064 0.0905  -0.0051 -0.0091 11 LEU F CD2 
1057 N N   . VAL F 12 ? 0.2376 0.1348 0.1965 0.0314  0.0145  -0.0128 12 VAL F N   
1058 C CA  . VAL F 12 ? 0.2497 0.1327 0.2024 0.0182  0.0214  -0.0187 12 VAL F CA  
1059 C C   . VAL F 12 ? 0.2285 0.1342 0.1929 0.0008  0.0070  -0.0234 12 VAL F C   
1060 O O   . VAL F 12 ? 0.2307 0.1387 0.1918 -0.0042 0.0072  -0.0280 12 VAL F O   
1061 C CB  . VAL F 12 ? 0.2788 0.1319 0.2203 0.0054  0.0392  -0.0207 12 VAL F CB  
1062 C CG1 A VAL F 12 ? 0.3060 0.1327 0.2367 0.0253  0.0567  -0.0113 12 VAL F CG1 
1063 C CG1 B VAL F 12 ? 0.2948 0.1365 0.2290 -0.0133 0.0468  -0.0324 12 VAL F CG1 
1064 C CG2 A VAL F 12 ? 0.2696 0.1339 0.2203 -0.0124 0.0335  -0.0212 12 VAL F CG2 
1065 C CG2 B VAL F 12 ? 0.3063 0.1327 0.2369 0.0253  0.0568  -0.0114 12 VAL F CG2 
1066 N N   . GLU F 13 ? 0.2104 0.1344 0.1899 -0.0074 -0.0043 -0.0203 13 GLU F N   
1067 C CA  . GLU F 13 ? 0.1935 0.1408 0.1870 -0.0204 -0.0177 -0.0188 13 GLU F CA  
1068 C C   . GLU F 13 ? 0.1773 0.1383 0.1823 -0.0095 -0.0259 -0.0183 13 GLU F C   
1069 O O   . GLU F 13 ? 0.2164 0.1902 0.2271 -0.0186 -0.0320 -0.0163 13 GLU F O   
1070 C CB  . GLU F 13 ? 0.1811 0.1450 0.1938 -0.0281 -0.0259 -0.0125 13 GLU F CB  
1071 C CG  . GLU F 13 ? 0.2411 0.2122 0.2717 -0.0129 -0.0300 -0.0105 13 GLU F CG  
1072 C CD  . GLU F 13 ? 0.2599 0.2476 0.3150 -0.0191 -0.0358 -0.0039 13 GLU F CD  
1073 O OE1 . GLU F 13 ? 0.3911 0.3856 0.4468 -0.0342 -0.0362 -0.0001 13 GLU F OE1 
1074 O OE2 . GLU F 13 ? 0.2594 0.2551 0.3351 -0.0092 -0.0390 -0.0036 13 GLU F OE2 
1075 N N   . ALA F 14 ? 0.1727 0.1342 0.1810 0.0086  -0.0258 -0.0201 14 ALA F N   
1076 C CA  . ALA F 14 ? 0.1605 0.1376 0.1812 0.0166  -0.0325 -0.0232 14 ALA F CA  
1077 C C   . ALA F 14 ? 0.1704 0.1436 0.1796 0.0204  -0.0266 -0.0259 14 ALA F C   
1078 O O   . ALA F 14 ? 0.2048 0.1911 0.2244 0.0164  -0.0308 -0.0271 14 ALA F O   
1079 C CB  . ALA F 14 ? 0.1589 0.1450 0.1850 0.0322  -0.0349 -0.0275 14 ALA F CB  
1080 N N   . LEU F 15 ? 0.1905 0.1447 0.1809 0.0287  -0.0144 -0.0259 15 LEU F N   
1081 C CA  . LEU F 15 ? 0.2039 0.1523 0.1868 0.0346  -0.0052 -0.0284 15 LEU F CA  
1082 C C   . LEU F 15 ? 0.2089 0.1545 0.1869 0.0149  -0.0022 -0.0325 15 LEU F C   
1083 O O   . LEU F 15 ? 0.2090 0.1639 0.1902 0.0153  -0.0004 -0.0356 15 LEU F O   
1084 C CB  . LEU F 15 ? 0.2308 0.1536 0.1978 0.0483  0.0109  -0.0251 15 LEU F CB  
1085 C CG  . LEU F 15 ? 0.2334 0.1630 0.1998 0.0706  0.0094  -0.0172 15 LEU F CG  
1086 C CD1 . LEU F 15 ? 0.2665 0.1664 0.2181 0.0841  0.0286  -0.0087 15 LEU F CD1 
1087 C CD2 . LEU F 15 ? 0.2266 0.1892 0.2064 0.0849  -0.0012 -0.0183 15 LEU F CD2 
1088 N N   . TYR F 16 ? 0.2151 0.1527 0.1850 -0.0033 -0.0016 -0.0330 16 TYR F N   
1089 C CA  . TYR F 16 ? 0.2242 0.1665 0.1851 -0.0242 -0.0001 -0.0373 16 TYR F CA  
1090 C C   . TYR F 16 ? 0.2054 0.1750 0.1807 -0.0292 -0.0127 -0.0314 16 TYR F C   
1091 O O   . TYR F 16 ? 0.2140 0.1906 0.1823 -0.0375 -0.0086 -0.0345 16 TYR F O   
1092 C CB  . TYR F 16 ? 0.2327 0.1729 0.1860 -0.0438 -0.0012 -0.0381 16 TYR F CB  
1093 C CG  . TYR F 16 ? 0.2423 0.1996 0.1853 -0.0677 -0.0042 -0.0410 16 TYR F CG  
1094 C CD1 . TYR F 16 ? 0.2723 0.2165 0.1932 -0.0805 0.0109  -0.0558 16 TYR F CD1 
1095 C CD2 . TYR F 16 ? 0.2257 0.2137 0.1812 -0.0771 -0.0210 -0.0285 16 TYR F CD2 
1096 C CE1 . TYR F 16 ? 0.2853 0.2511 0.1922 -0.1042 0.0078  -0.0602 16 TYR F CE1 
1097 C CE2 . TYR F 16 ? 0.2381 0.2486 0.1815 -0.0981 -0.0250 -0.0276 16 TYR F CE2 
1098 C CZ  . TYR F 16 ? 0.2678 0.2695 0.1846 -0.1127 -0.0114 -0.0445 16 TYR F CZ  
1099 O OH  . TYR F 16 ? 0.2841 0.3140 0.1844 -0.1355 -0.0156 -0.0453 16 TYR F OH  
1100 N N   . LEU F 17 ? 0.1880 0.1718 0.1846 -0.0248 -0.0255 -0.0231 17 LEU F N   
1101 C CA  . LEU F 17 ? 0.1805 0.1852 0.1956 -0.0293 -0.0346 -0.0156 17 LEU F CA  
1102 C C   . LEU F 17 ? 0.2096 0.2199 0.2339 -0.0179 -0.0316 -0.0208 17 LEU F C   
1103 O O   . LEU F 17 ? 0.1662 0.1886 0.1949 -0.0251 -0.0308 -0.0183 17 LEU F O   
1104 C CB  . LEU F 17 ? 0.1530 0.1661 0.1924 -0.0274 -0.0451 -0.0071 17 LEU F CB  
1105 C CG  . LEU F 17 ? 0.4247 0.4548 0.4867 -0.0348 -0.0525 0.0059  17 LEU F CG  
1106 C CD1 . LEU F 17 ? 0.3414 0.3842 0.3909 -0.0519 -0.0554 0.0178  17 LEU F CD1 
1107 C CD2 . LEU F 17 ? 0.3465 0.3781 0.4377 -0.0284 -0.0580 0.0108  17 LEU F CD2 
1108 N N   . VAL F 18 ? 0.2172 0.2235 0.2452 -0.0006 -0.0300 -0.0271 18 VAL F N   
1109 C CA  . VAL F 18 ? 0.2064 0.2273 0.2477 0.0103  -0.0295 -0.0324 18 VAL F CA  
1110 C C   . VAL F 18 ? 0.1719 0.1897 0.2007 0.0121  -0.0174 -0.0361 18 VAL F C   
1111 O O   . VAL F 18 ? 0.1882 0.2222 0.2289 0.0102  -0.0159 -0.0377 18 VAL F O   
1112 C CB  . VAL F 18 ? 0.2100 0.2359 0.2563 0.0283  -0.0328 -0.0368 18 VAL F CB  
1113 C CG1 . VAL F 18 ? 0.1690 0.2173 0.2281 0.0398  -0.0330 -0.0427 18 VAL F CG1 
1114 C CG2 . VAL F 18 ? 0.1644 0.1960 0.2266 0.0251  -0.0424 -0.0374 18 VAL F CG2 
1115 N N   . CYS F 19 ? 0.1913 0.1870 0.1984 0.0155  -0.0061 -0.0385 19 CYS F N   
1116 C CA  . CYS F 19 ? 0.2319 0.2204 0.2303 0.0207  0.0095  -0.0441 19 CYS F CA  
1117 C C   . CYS F 19 ? 0.2223 0.2122 0.2094 0.0002  0.0158  -0.0479 19 CYS F C   
1118 O O   . CYS F 19 ? 0.2608 0.2574 0.2497 0.0023  0.0262  -0.0529 19 CYS F O   
1119 C CB  . CYS F 19 ? 0.2346 0.1934 0.2167 0.0314  0.0235  -0.0456 19 CYS F CB  
1120 S SG  . CYS F 19 ? 0.2289 0.1902 0.2186 0.0574  0.0178  -0.0371 19 CYS F SG  
1121 N N   . GLY F 20 ? 0.1357 0.3703 0.1822 -0.0291 0.0240  -0.0518 20 GLY F N   
1122 C CA  . GLY F 20 ? 0.1409 0.3861 0.1816 -0.0402 0.0271  -0.0411 20 GLY F CA  
1123 C C   . GLY F 20 ? 0.1851 0.4358 0.2013 -0.0389 0.0268  -0.0464 20 GLY F C   
1124 O O   . GLY F 20 ? 0.2580 0.5000 0.2644 -0.0335 0.0236  -0.0501 20 GLY F O   
1125 N N   . GLU F 21 ? 0.2305 0.4930 0.2420 -0.0439 0.0312  -0.0465 21 GLU F N   
1126 C CA  . GLU F 21 ? 0.2385 0.5038 0.2339 -0.0425 0.0311  -0.0524 21 GLU F CA  
1127 C C   . GLU F 21 ? 0.2189 0.4749 0.2164 -0.0277 0.0287  -0.0660 21 GLU F C   
1128 O O   . GLU F 21 ? 0.2686 0.5172 0.2562 -0.0230 0.0282  -0.0702 21 GLU F O   
1129 C CB  . GLU F 21 ? 0.3219 0.6041 0.3131 -0.0518 0.0372  -0.0510 21 GLU F CB  
1130 C CG  . GLU F 21 ? 0.4017 0.6925 0.3891 -0.0670 0.0396  -0.0312 21 GLU F CG  
1131 C CD  . GLU F 21 ? 0.5078 0.8152 0.4889 -0.0773 0.0474  -0.0275 21 GLU F CD  
1132 O OE1 . GLU F 21 ? 0.3955 0.7104 0.3746 -0.0728 0.0506  -0.0438 21 GLU F OE1 
1133 O OE2 . GLU F 21 ? 0.4382 0.7516 0.4181 -0.0903 0.0500  -0.0070 21 GLU F OE2 
1134 N N   . ARG F 22 ? 0.1979 0.4534 0.2079 -0.0198 0.0269  -0.0725 22 ARG F N   
1135 C CA  . ARG F 22 ? 0.1894 0.4383 0.2001 -0.0052 0.0230  -0.0819 22 ARG F CA  
1136 C C   . ARG F 22 ? 0.2297 0.4591 0.2294 0.0020  0.0209  -0.0773 22 ARG F C   
1137 O O   . ARG F 22 ? 0.2461 0.4654 0.2374 0.0126  0.0200  -0.0825 22 ARG F O   
1138 C CB  . ARG F 22 ? 0.1827 0.4368 0.2071 0.0009  0.0194  -0.0887 22 ARG F CB  
1139 C CG  . ARG F 22 ? 0.1289 0.3982 0.1642 -0.0043 0.0232  -0.0970 22 ARG F CG  
1140 C CD  A ARG F 22 ? 0.1246 0.3952 0.1734 0.0008  0.0195  -0.1049 22 ARG F CD  
1141 C CD  B ARG F 22 ? 0.1246 0.3953 0.1734 0.0008  0.0195  -0.1049 22 ARG F CD  
1142 N NE  A ARG F 22 ? 0.1163 0.3776 0.1707 -0.0038 0.0209  -0.0977 22 ARG F NE  
1143 N NE  B ARG F 22 ? 0.1290 0.3988 0.1757 0.0157  0.0101  -0.1111 22 ARG F NE  
1144 C CZ  A ARG F 22 ? 0.1137 0.3722 0.1789 0.0001  0.0178  -0.1039 22 ARG F CZ  
1145 C CZ  B ARG F 22 ? 0.1256 0.3990 0.1794 0.0220  0.0038  -0.1186 22 ARG F CZ  
1146 N NH1 A ARG F 22 ? 0.1184 0.3850 0.1874 0.0080  0.0118  -0.1169 22 ARG F NH1 
1147 N NH1 B ARG F 22 ? 0.1226 0.3965 0.1882 0.0150  0.0068  -0.1230 22 ARG F NH1 
1148 N NH2 A ARG F 22 ? 0.1687 0.4175 0.2431 -0.0040 0.0200  -0.0975 22 ARG F NH2 
1149 N NH2 B ARG F 22 ? 0.1339 0.4103 0.1828 0.0368  -0.0050 -0.1219 22 ARG F NH2 
1150 N N   . GLY F 23 ? 0.2129 0.4361 0.2116 -0.0041 0.0207  -0.0688 23 GLY F N   
1151 C CA  . GLY F 23 ? 0.1906 0.3952 0.1787 0.0009  0.0204  -0.0652 23 GLY F CA  
1152 C C   . GLY F 23 ? 0.1716 0.3739 0.1625 0.0119  0.0176  -0.0672 23 GLY F C   
1153 O O   . GLY F 23 ? 0.1562 0.3720 0.1592 0.0162  0.0140  -0.0729 23 GLY F O   
1154 N N   . PHE F 24 ? 0.1373 0.3229 0.1141 0.0157  0.0192  -0.0631 24 PHE F N   
1155 C CA  . PHE F 24 ? 0.2072 0.3932 0.1814 0.0254  0.0171  -0.0632 24 PHE F CA  
1156 C C   . PHE F 24 ? 0.2250 0.3886 0.1715 0.0328  0.0207  -0.0596 24 PHE F C   
1157 O O   . PHE F 24 ? 0.2113 0.3586 0.1439 0.0289  0.0246  -0.0588 24 PHE F O   
1158 C CB  . PHE F 24 ? 0.1583 0.3555 0.1471 0.0176  0.0162  -0.0617 24 PHE F CB  
1159 C CG  . PHE F 24 ? 0.1389 0.3264 0.1236 0.0064  0.0207  -0.0562 24 PHE F CG  
1160 C CD1 . PHE F 24 ? 0.1194 0.3119 0.1137 -0.0056 0.0207  -0.0553 24 PHE F CD1 
1161 C CD2 . PHE F 24 ? 0.1363 0.3122 0.1061 0.0070  0.0252  -0.0523 24 PHE F CD2 
1162 C CE1 . PHE F 24 ? 0.1102 0.2982 0.1035 -0.0159 0.0234  -0.0526 24 PHE F CE1 
1163 C CE2 . PHE F 24 ? 0.1534 0.3232 0.1226 -0.0050 0.0297  -0.0497 24 PHE F CE2 
1164 C CZ  . PHE F 24 ? 0.1378 0.3146 0.1210 -0.0161 0.0279  -0.0511 24 PHE F CZ  
1165 N N   . PHE F 25 ? 0.1898 0.3548 0.1263 0.0437  0.0190  -0.0582 25 PHE F N   
1166 C CA  . PHE F 25 ? 0.2116 0.3564 0.1152 0.0513  0.0227  -0.0516 25 PHE F CA  
1167 C C   . PHE F 25 ? 0.2188 0.3689 0.1183 0.0470  0.0255  -0.0450 25 PHE F C   
1168 O O   . PHE F 25 ? 0.1995 0.3724 0.1166 0.0501  0.0206  -0.0494 25 PHE F O   
1169 C CB  . PHE F 25 ? 0.2382 0.3800 0.1241 0.0741  0.0161  -0.0551 25 PHE F CB  
1170 C CG  . PHE F 25 ? 0.3119 0.4795 0.2130 0.0858  0.0076  -0.0608 25 PHE F CG  
1171 C CD1 . PHE F 25 ? 0.2058 0.3944 0.1369 0.0854  0.0022  -0.0720 25 PHE F CD1 
1172 C CD2 . PHE F 25 ? 0.2705 0.4436 0.1547 0.0962  0.0052  -0.0548 25 PHE F CD2 
1173 C CE1 . PHE F 25 ? 0.1989 0.4139 0.1455 0.0953  -0.0063 -0.0794 25 PHE F CE1 
1174 C CE2 . PHE F 25 ? 0.2411 0.4431 0.1414 0.1080  -0.0035 -0.0630 25 PHE F CE2 
1175 C CZ  . PHE F 25 ? 0.2149 0.4384 0.1481 0.1079  -0.0097 -0.0763 25 PHE F CZ  
1176 N N   . TYR F 26 ? 0.2362 0.3684 0.1142 0.0388  0.0341  -0.0360 26 TYR F N   
1177 C CA  . TYR F 26 ? 0.2424 0.3790 0.1130 0.0328  0.0392  -0.0296 26 TYR F CA  
1178 C C   . TYR F 26 ? 0.2912 0.4062 0.1172 0.0407  0.0443  -0.0139 26 TYR F C   
1179 O O   . TYR F 26 ? 0.3136 0.4008 0.1216 0.0385  0.0500  -0.0051 26 TYR F O   
1180 C CB  . TYR F 26 ? 0.2238 0.3619 0.1124 0.0133  0.0462  -0.0310 26 TYR F CB  
1181 C CG  . TYR F 26 ? 0.2624 0.4105 0.1500 0.0065  0.0517  -0.0289 26 TYR F CG  
1182 C CD1 . TYR F 26 ? 0.2332 0.4102 0.1466 0.0078  0.0454  -0.0387 26 TYR F CD1 
1183 C CD2 . TYR F 26 ? 0.2625 0.3939 0.1249 -0.0025 0.0640  -0.0180 26 TYR F CD2 
1184 C CE1 . TYR F 26 ? 0.2171 0.4082 0.1311 0.0017  0.0501  -0.0403 26 TYR F CE1 
1185 C CE2 . TYR F 26 ? 0.2721 0.4152 0.1344 -0.0097 0.0702  -0.0173 26 TYR F CE2 
1186 C CZ  . TYR F 26 ? 0.2489 0.4231 0.1367 -0.0069 0.0627  -0.0298 26 TYR F CZ  
1187 O OH  . TYR F 26 ? 0.2896 0.4806 0.1783 -0.0139 0.0684  -0.0325 26 TYR F OH  
1188 N N   . THR F 27 ? 0.3116 0.4358 0.1229 0.0496  0.0411  -0.0083 27 THR F N   
1189 C CA  . THR F 27 ? 0.3696 0.4701 0.1344 0.0592  0.0435  0.0134  27 THR F CA  
1190 C C   . THR F 27 ? 0.5296 0.6485 0.2869 0.0555  0.0447  0.0169  27 THR F C   
1191 O O   . THR F 27 ? 0.6339 0.7762 0.3962 0.0699  0.0341  0.0098  27 THR F O   
1192 C CB  . THR F 27 ? 0.5003 0.5871 0.2446 0.0868  0.0307  0.0177  27 THR F CB  
1193 O OG1 . THR F 27 ? 0.4959 0.5629 0.2592 0.0861  0.0288  0.0091  27 THR F OG1 
1194 C CG2 . THR F 27 ? 0.5672 0.6166 0.2679 0.0964  0.0299  0.0466  27 THR F CG2 
1195 N N   . PRO F 28 ? 0.5103 0.6220 0.2570 0.0365  0.0584  0.0255  28 PRO F N   
1196 C CA  . PRO F 28 ? 0.5927 0.7212 0.3263 0.0334  0.0611  0.0282  28 PRO F CA  
1197 C C   . PRO F 28 ? 0.5376 0.6458 0.2222 0.0449  0.0580  0.0540  28 PRO F C   
1198 O O   . PRO F 28 ? 0.8404 0.9692 0.5126 0.0531  0.0521  0.0540  28 PRO F O   
1199 C CB  . PRO F 28 ? 0.5820 0.7068 0.3233 0.0099  0.0783  0.0274  28 PRO F CB  
1200 C CG  . PRO F 28 ? 0.4224 0.5153 0.1593 0.0013  0.0864  0.0377  28 PRO F CG  
1201 C CD  . PRO F 28 ? 0.3939 0.4871 0.1453 0.0165  0.0729  0.0293  28 PRO F CD  
1202 N N   . LYS F 29 ? 0.5852 0.6518 0.2437 0.0473  0.0610  0.0777  29 LYS F N   
1203 C CA  . LYS F 29 ? 0.6456 0.6812 0.2601 0.0595  0.0562  0.1087  29 LYS F CA  
1204 C C   . LYS F 29 ? 0.6406 0.6419 0.2466 0.0860  0.0427  0.1185  29 LYS F C   
1205 O O   . LYS F 29 ? 0.6511 0.6444 0.2371 0.1086  0.0270  0.1295  29 LYS F O   
1206 C CB  . LYS F 29 ? 0.6393 0.6420 0.2297 0.0362  0.0746  0.1349  29 LYS F CB  
1207 C CG  . LYS F 29 ? 0.6849 0.6995 0.2452 0.0258  0.0790  0.1460  29 LYS F CG  
1208 C CD  . LYS F 29 ? 0.6481 0.7122 0.2307 0.0193  0.0821  0.1137  29 LYS F CD  
1209 C CE  . LYS F 29 ? 0.6398 0.7106 0.2572 -0.0014 0.0989  0.0942  29 LYS F CE  
1210 N NZ  . LYS F 29 ? 0.6336 0.7517 0.2862 -0.0008 0.0978  0.0640  29 LYS F NZ  
1211 O OXT . LYS F 29 ? 0.7304 0.7094 0.3538 0.0848  0.0457  0.1121  29 LYS F OXT 
1212 N N   . GLY G 1  ? 0.2740 0.3704 0.2648 -0.0507 0.0632  0.0393  1  GLY G N   
1213 C CA  . GLY G 1  ? 0.2471 0.3593 0.2573 -0.0475 0.0590  0.0356  1  GLY G CA  
1214 C C   . GLY G 1  ? 0.1557 0.2821 0.1753 -0.0509 0.0518  0.0326  1  GLY G C   
1215 O O   . GLY G 1  ? 0.2109 0.3364 0.2268 -0.0573 0.0495  0.0330  1  GLY G O   
1216 N N   . ILE G 2  ? 0.1445 0.2851 0.1773 -0.0475 0.0485  0.0292  2  ILE G N   
1217 C CA  . ILE G 2  ? 0.1111 0.2675 0.1586 -0.0480 0.0435  0.0246  2  ILE G CA  
1218 C C   . ILE G 2  ? 0.1234 0.2652 0.1647 -0.0539 0.0290  0.0204  2  ILE G C   
1219 O O   . ILE G 2  ? 0.1272 0.2604 0.1762 -0.0515 0.0194  0.0146  2  ILE G O   
1220 C CB  . ILE G 2  ? 0.1643 0.3322 0.2207 -0.0396 0.0435  0.0207  2  ILE G CB  
1221 C CG1 . ILE G 2  ? 0.0996 0.2826 0.1737 -0.0364 0.0408  0.0147  2  ILE G CG1 
1222 C CG2 . ILE G 2  ? 0.1050 0.2811 0.1575 -0.0439 0.0389  0.0205  2  ILE G CG2 
1223 C CD1 . ILE G 2  ? 0.1861 0.3812 0.2633 -0.0281 0.0415  0.0104  2  ILE G CD1 
1224 N N   . VAL G 3  ? 0.1868 0.3182 0.2146 -0.0595 0.0246  0.0228  3  VAL G N   
1225 C CA  . VAL G 3  ? 0.1711 0.2773 0.1877 -0.0632 0.0085  0.0197  3  VAL G CA  
1226 C C   . VAL G 3  ? 0.2145 0.2944 0.2121 -0.0651 0.0048  0.0215  3  VAL G C   
1227 O O   . VAL G 3  ? 0.2626 0.3236 0.2575 -0.0640 -0.0109 0.0158  3  VAL G O   
1228 C CB  . VAL G 3  ? 0.2412 0.3417 0.2493 -0.0700 0.0062  0.0243  3  VAL G CB  
1229 C CG1 . VAL G 3  ? 0.2319 0.3028 0.2260 -0.0742 -0.0105 0.0230  3  VAL G CG1 
1230 C CG2 . VAL G 3  ? 0.2306 0.3540 0.2567 -0.0669 0.0054  0.0202  3  VAL G CG2 
1231 N N   . GLU G 4  ? 0.2520 0.3291 0.2355 -0.0668 0.0180  0.0285  4  GLU G N   
1232 C CA  . GLU G 4  ? 0.2599 0.3089 0.2193 -0.0670 0.0143  0.0292  4  GLU G CA  
1233 C C   . GLU G 4  ? 0.1983 0.2451 0.1718 -0.0616 0.0056  0.0216  4  GLU G C   
1234 O O   . GLU G 4  ? 0.2928 0.3126 0.2521 -0.0609 -0.0091 0.0177  4  GLU G O   
1235 C CB  . GLU G 4  ? 0.2721 0.3206 0.2146 -0.0680 0.0322  0.0371  4  GLU G CB  
1236 C CG  . GLU G 4  ? 0.3020 0.3187 0.2127 -0.0663 0.0292  0.0370  4  GLU G CG  
1237 C CD  . GLU G 4  ? 0.2505 0.2676 0.1446 -0.0654 0.0488  0.0436  4  GLU G CD  
1238 O OE1 . GLU G 4  ? 0.2492 0.2919 0.1614 -0.0657 0.0633  0.0485  4  GLU G OE1 
1239 O OE2 . GLU G 4  ? 0.2803 0.2708 0.1443 -0.0622 0.0482  0.0428  4  GLU G OE2 
1240 N N   . GLN G 5  ? 0.2393 0.3135 0.2413 -0.0579 0.0138  0.0202  5  GLN G N   
1241 C CA  . GLN G 5  ? 0.2020 0.2762 0.2236 -0.0540 0.0078  0.0149  5  GLN G CA  
1242 C C   . GLN G 5  ? 0.1626 0.2413 0.2083 -0.0514 -0.0063 0.0071  5  GLN G C   
1243 O O   . GLN G 5  ? 0.1738 0.2371 0.2274 -0.0501 -0.0211 0.0014  5  GLN G O   
1244 C CB  . GLN G 5  ? 0.1465 0.2464 0.1887 -0.0512 0.0244  0.0190  5  GLN G CB  
1245 C CG  . GLN G 5  ? 0.1985 0.2990 0.2659 -0.0485 0.0197  0.0156  5  GLN G CG  
1246 C CD  . GLN G 5  ? 0.2885 0.4157 0.3797 -0.0459 0.0364  0.0212  5  GLN G CD  
1247 O OE1 . GLN G 5  ? 0.1549 0.3008 0.2427 -0.0449 0.0502  0.0267  5  GLN G OE1 
1248 N NE2 . GLN G 5  ? 0.1214 0.2492 0.2378 -0.0448 0.0342  0.0205  5  GLN G NE2 
1249 N N   . CYS G 6  ? 0.1478 0.2466 0.2062 -0.0499 -0.0029 0.0058  6  CYS G N   
1250 C CA  . CYS G 6  ? 0.1399 0.2498 0.2263 -0.0450 -0.0111 -0.0020 6  CYS G CA  
1251 C C   . CYS G 6  ? 0.1551 0.2470 0.2341 -0.0455 -0.0300 -0.0084 6  CYS G C   
1252 O O   . CYS G 6  ? 0.1521 0.2501 0.2552 -0.0404 -0.0390 -0.0164 6  CYS G O   
1253 C CB  . CYS G 6  ? 0.1188 0.2614 0.2227 -0.0401 0.0043  -0.0011 6  CYS G CB  
1254 S SG  . CYS G 6  ? 0.1037 0.2665 0.2205 -0.0386 0.0249  0.0073  6  CYS G SG  
1255 N N   . CYS G 7  ? 0.2265 0.1446 0.2375 0.0533  -0.0704 -0.0397 7  CYS G N   
1256 C CA  . CYS G 7  ? 0.1995 0.1327 0.2415 0.0403  -0.0631 -0.0374 7  CYS G CA  
1257 C C   . CYS G 7  ? 0.1742 0.1129 0.2274 0.0190  -0.0556 -0.0248 7  CYS G C   
1258 O O   . CYS G 7  ? 0.1835 0.1360 0.2617 0.0045  -0.0500 -0.0175 7  CYS G O   
1259 C CB  . CYS G 7  ? 0.1426 0.1001 0.2123 0.0433  -0.0671 -0.0576 7  CYS G CB  
1260 S SG  . CYS G 7  ? 0.1611 0.1231 0.2155 0.0589  -0.0739 -0.0690 7  CYS G SG  
1261 N N   . THR G 8  ? 0.1822 0.1103 0.2178 0.0164  -0.0564 -0.0221 8  THR G N   
1262 C CA  . THR G 8  ? 0.2743 0.2052 0.3114 -0.0045 -0.0498 -0.0094 8  THR G CA  
1263 C C   . THR G 8  ? 0.2082 0.1195 0.2252 -0.0093 -0.0461 0.0116  8  THR G C   
1264 O O   . THR G 8  ? 0.2779 0.1984 0.3008 -0.0264 -0.0396 0.0262  8  THR G O   
1265 C CB  . THR G 8  ? 0.2040 0.1384 0.2387 -0.0066 -0.0513 -0.0245 8  THR G CB  
1266 O OG1 . THR G 8  ? 0.2549 0.1663 0.2677 0.0090  -0.0572 -0.0280 8  THR G OG1 
1267 C CG2 . THR G 8  ? 0.2662 0.2220 0.3246 -0.0020 -0.0537 -0.0470 8  THR G CG2 
1268 N N   . SER G 9  ? 0.2418 0.1312 0.2347 0.0060  -0.0491 0.0130  9  SER G N   
1269 C CA  . SER G 9  ? 0.2486 0.1338 0.2265 0.0021  -0.0389 0.0287  9  SER G CA  
1270 C C   . SER G 9  ? 0.2277 0.1061 0.1923 0.0162  -0.0371 0.0299  9  SER G C   
1271 O O   . SER G 9  ? 0.2787 0.1510 0.2345 0.0313  -0.0469 0.0180  9  SER G O   
1272 C CB  . SER G 9  ? 0.2008 0.0744 0.1645 0.0002  -0.0391 0.0292  9  SER G CB  
1273 O OG  . SER G 9  ? 0.3947 0.2719 0.3669 -0.0143 -0.0415 0.0257  9  SER G OG  
1274 N N   . ILE G 10 ? 0.1968 0.0800 0.1619 0.0118  -0.0243 0.0421  10 ILE G N   
1275 C CA  . ILE G 10 ? 0.2491 0.1234 0.1998 0.0211  -0.0232 0.0455  10 ILE G CA  
1276 C C   . ILE G 10 ? 0.2336 0.0927 0.1578 0.0298  -0.0295 0.0439  10 ILE G C   
1277 O O   . ILE G 10 ? 0.2350 0.0936 0.1609 0.0243  -0.0267 0.0491  10 ILE G O   
1278 C CB  . ILE G 10 ? 0.2370 0.1216 0.2025 0.0133  -0.0090 0.0587  10 ILE G CB  
1279 C CG1 . ILE G 10 ? 0.2543 0.1409 0.2282 0.0086  -0.0023 0.0538  10 ILE G CG1 
1280 C CG2 . ILE G 10 ? 0.2278 0.0966 0.1675 0.0189  -0.0102 0.0623  10 ILE G CG2 
1281 C CD1 . ILE G 10 ? 0.2776 0.1597 0.2453 -0.0013 0.0011  0.0558  10 ILE G CD1 
1282 N N   . CYS G 11 ? 0.2645 0.1114 0.1650 0.0447  -0.0385 0.0360  11 CYS G N   
1283 C CA  . CYS G 11 ? 0.3024 0.1347 0.1774 0.0540  -0.0453 0.0362  11 CYS G CA  
1284 C C   . CYS G 11 ? 0.3205 0.1429 0.1714 0.0550  -0.0382 0.0477  11 CYS G C   
1285 O O   . CYS G 11 ? 0.3788 0.1978 0.2149 0.0611  -0.0360 0.0459  11 CYS G O   
1286 C CB  . CYS G 11 ? 0.3036 0.1330 0.1689 0.0704  -0.0617 0.0197  11 CYS G CB  
1287 S SG  . CYS G 11 ? 0.2849 0.1234 0.1755 0.0709  -0.0716 0.0045  11 CYS G SG  
1288 N N   . SER G 12 ? 0.3605 0.1770 0.2068 0.0499  -0.0344 0.0590  12 SER G N   
1289 C CA  . SER G 12 ? 0.3615 0.1686 0.1839 0.0496  -0.0278 0.0708  12 SER G CA  
1290 C C   . SER G 12 ? 0.4036 0.1951 0.1879 0.0650  -0.0387 0.0674  12 SER G C   
1291 O O   . SER G 12 ? 0.4090 0.1985 0.1916 0.0762  -0.0532 0.0558  12 SER G O   
1292 C CB  . SER G 12 ? 0.3657 0.1730 0.1992 0.0396  -0.0225 0.0843  12 SER G CB  
1293 O OG  . SER G 12 ? 0.3831 0.1789 0.2119 0.0462  -0.0327 0.0840  12 SER G OG  
1294 N N   . LEU G 13 ? 0.2410 0.3165 0.2498 0.0880  0.0144  -0.0642 13 LEU G N   
1295 C CA  . LEU G 13 ? 0.1983 0.2445 0.2206 0.0782  0.0089  -0.0562 13 LEU G CA  
1296 C C   . LEU G 13 ? 0.1806 0.2220 0.2359 0.0569  0.0212  -0.0531 13 LEU G C   
1297 O O   . LEU G 13 ? 0.1803 0.1920 0.2498 0.0497  0.0180  -0.0399 13 LEU G O   
1298 C CB  . LEU G 13 ? 0.2336 0.3005 0.2463 0.0826  0.0026  -0.0665 13 LEU G CB  
1299 C CG  . LEU G 13 ? 0.3392 0.4189 0.3205 0.1071  -0.0099 -0.0749 13 LEU G CG  
1300 C CD1 . LEU G 13 ? 0.3437 0.4652 0.3199 0.1078  -0.0108 -0.0896 13 LEU G CD1 
1301 C CD2 . LEU G 13 ? 0.3429 0.3780 0.3123 0.1194  -0.0259 -0.0647 13 LEU G CD2 
1302 N N   . TYR G 14 ? 0.1694 0.2409 0.2385 0.0475  0.0349  -0.0669 14 TYR G N   
1303 C CA  . TYR G 14 ? 0.1594 0.2236 0.2617 0.0297  0.0466  -0.0669 14 TYR G CA  
1304 C C   . TYR G 14 ? 0.1603 0.2102 0.2750 0.0282  0.0509  -0.0592 14 TYR G C   
1305 O O   . TYR G 14 ? 0.1565 0.1864 0.2959 0.0191  0.0540  -0.0513 14 TYR G O   
1306 C CB  . TYR G 14 ? 0.1533 0.2517 0.2679 0.0193  0.0595  -0.0877 14 TYR G CB  
1307 C CG  . TYR G 14 ? 0.1534 0.2748 0.2555 0.0186  0.0562  -0.0951 14 TYR G CG  
1308 C CD1 . TYR G 14 ? 0.1565 0.3123 0.2310 0.0323  0.0514  -0.1064 14 TYR G CD1 
1309 C CD2 . TYR G 14 ? 0.1740 0.2862 0.2911 0.0050  0.0574  -0.0889 14 TYR G CD2 
1310 C CE1 . TYR G 14 ? 0.1591 0.3380 0.2207 0.0306  0.0461  -0.1109 14 TYR G CE1 
1311 C CE2 . TYR G 14 ? 0.1540 0.2943 0.2596 0.0025  0.0550  -0.0943 14 TYR G CE2 
1312 C CZ  . TYR G 14 ? 0.1952 0.3739 0.2745 0.0158  0.0507  -0.1088 14 TYR G CZ  
1313 O OH  . TYR G 14 ? 0.3055 0.5200 0.3740 0.0135  0.0484  -0.1157 14 TYR G OH  
1314 N N   . GLN G 15 ? 0.1671 0.2315 0.2649 0.0378  0.0513  -0.0602 15 GLN G N   
1315 C CA  . GLN G 15 ? 0.1706 0.2270 0.2771 0.0359  0.0548  -0.0498 15 GLN G CA  
1316 C C   . GLN G 15 ? 0.2127 0.2292 0.3152 0.0365  0.0431  -0.0280 15 GLN G C   
1317 O O   . GLN G 15 ? 0.1786 0.1837 0.3003 0.0281  0.0460  -0.0187 15 GLN G O   
1318 C CB  . GLN G 15 ? 0.1795 0.2662 0.2663 0.0459  0.0580  -0.0527 15 GLN G CB  
1319 C CG  . GLN G 15 ? 0.1861 0.3210 0.2791 0.0441  0.0702  -0.0780 15 GLN G CG  
1320 C CD  . GLN G 15 ? 0.1806 0.3536 0.2502 0.0572  0.0717  -0.0796 15 GLN G CD  
1321 O OE1 . GLN G 15 ? 0.1921 0.3709 0.2330 0.0725  0.0629  -0.0759 15 GLN G OE1 
1322 N NE2 . GLN G 15 ? 0.1828 0.3766 0.2610 0.0511  0.0798  -0.0812 15 GLN G NE2 
1323 N N   . LEU G 16 ? 0.1924 0.1907 0.2713 0.0465  0.0294  -0.0222 16 LEU G N   
1324 C CA  . LEU G 16 ? 0.2247 0.1852 0.3016 0.0455  0.0172  -0.0063 16 LEU G CA  
1325 C C   . LEU G 16 ? 0.2230 0.1731 0.3242 0.0344  0.0167  -0.0042 16 LEU G C   
1326 O O   . LEU G 16 ? 0.2458 0.1746 0.3572 0.0282  0.0115  0.0079  16 LEU G O   
1327 C CB  . LEU G 16 ? 0.2237 0.1687 0.2715 0.0608  0.0022  -0.0065 16 LEU G CB  
1328 C CG  . LEU G 16 ? 0.2692 0.2136 0.2900 0.0761  -0.0014 -0.0024 16 LEU G CG  
1329 C CD1 . LEU G 16 ? 0.3412 0.2941 0.3369 0.0955  -0.0111 -0.0143 16 LEU G CD1 
1330 C CD2 . LEU G 16 ? 0.3768 0.2802 0.3925 0.0743  -0.0097 0.0169  16 LEU G CD2 
1331 N N   . GLU G 17 ? 0.1775 0.1442 0.2886 0.0312  0.0221  -0.0144 17 GLU G N   
1332 C CA  . GLU G 17 ? 0.1964 0.1543 0.3288 0.0228  0.0214  -0.0085 17 GLU G CA  
1333 C C   . GLU G 17 ? 0.2313 0.1839 0.3938 0.0138  0.0298  -0.0023 17 GLU G C   
1334 O O   . GLU G 17 ? 0.2515 0.1929 0.4304 0.0098  0.0261  0.0078  17 GLU G O   
1335 C CB  . GLU G 17 ? 0.1713 0.1478 0.3077 0.0195  0.0269  -0.0179 17 GLU G CB  
1336 C CG  . GLU G 17 ? 0.2733 0.2425 0.4238 0.0136  0.0233  -0.0072 17 GLU G CG  
1337 C CD  . GLU G 17 ? 0.2548 0.2421 0.4098 0.0068  0.0301  -0.0128 17 GLU G CD  
1338 O OE1 . GLU G 17 ? 0.1796 0.1855 0.3315 0.0046  0.0389  -0.0282 17 GLU G OE1 
1339 O OE2 . GLU G 17 ? 0.3975 0.3838 0.5596 0.0026  0.0269  -0.0013 17 GLU G OE2 
1340 N N   . ASN G 18 ? 0.1692 0.1350 0.3393 0.0122  0.0406  -0.0088 18 ASN G N   
1341 C CA  . ASN G 18 ? 0.1727 0.1398 0.3720 0.0060  0.0487  -0.0061 18 ASN G CA  
1342 C C   . ASN G 18 ? 0.2055 0.1580 0.4073 0.0036  0.0403  0.0103  18 ASN G C   
1343 O O   . ASN G 18 ? 0.2219 0.1746 0.4494 -0.0005 0.0430  0.0154  18 ASN G O   
1344 C CB  . ASN G 18 ? 0.2224 0.2156 0.4267 0.0059  0.0614  -0.0192 18 ASN G CB  
1345 C CG  . ASN G 18 ? 0.2181 0.2278 0.4340 0.0039  0.0722  -0.0397 18 ASN G CG  
1346 O OD1 . ASN G 18 ? 0.3120 0.3128 0.5290 0.0015  0.0705  -0.0418 18 ASN G OD1 
1347 N ND2 . ASN G 18 ? 0.2753 0.3125 0.5007 0.0034  0.0838  -0.0556 18 ASN G ND2 
1348 N N   . TYR G 19 ? 0.2260 0.1660 0.4029 0.0061  0.0300  0.0179  19 TYR G N   
1349 C CA  . TYR G 19 ? 0.2081 0.1327 0.3871 0.0002  0.0217  0.0320  19 TYR G CA  
1350 C C   . TYR G 19 ? 0.1869 0.0977 0.3661 -0.0005 0.0090  0.0364  19 TYR G C   
1351 O O   . TYR G 19 ? 0.1966 0.1023 0.3738 -0.0065 0.0010  0.0433  19 TYR G O   
1352 C CB  . TYR G 19 ? 0.2062 0.1187 0.3591 0.0020  0.0164  0.0386  19 TYR G CB  
1353 C CG  . TYR G 19 ? 0.2071 0.1432 0.3561 0.0031  0.0284  0.0371  19 TYR G CG  
1354 C CD1 . TYR G 19 ? 0.2080 0.1607 0.3729 -0.0063 0.0365  0.0447  19 TYR G CD1 
1355 C CD2 . TYR G 19 ? 0.2394 0.1894 0.3689 0.0139  0.0318  0.0269  19 TYR G CD2 
1356 C CE1 . TYR G 19 ? 0.2095 0.1924 0.3703 -0.0049 0.0476  0.0428  19 TYR G CE1 
1357 C CE2 . TYR G 19 ? 0.2231 0.2027 0.3486 0.0157  0.0424  0.0245  19 TYR G CE2 
1358 C CZ  . TYR G 19 ? 0.2819 0.2781 0.4226 0.0064  0.0503  0.0327  19 TYR G CZ  
1359 O OH  . TYR G 19 ? 0.3300 0.3639 0.4660 0.0087  0.0611  0.0299  19 TYR G OH  
1360 N N   . CYS G 20 ? 0.1792 0.0937 0.3560 0.0045  0.0073  0.0307  20 CYS G N   
1361 C CA  . CYS G 20 ? 0.2584 0.1725 0.4325 0.0045  -0.0037 0.0343  20 CYS G CA  
1362 C C   . CYS G 20 ? 0.1724 0.1004 0.3715 0.0001  -0.0004 0.0410  20 CYS G C   
1363 O O   . CYS G 20 ? 0.1651 0.1031 0.3836 -0.0010 0.0108  0.0399  20 CYS G O   
1364 C CB  . CYS G 20 ? 0.1860 0.1013 0.3540 0.0113  -0.0059 0.0298  20 CYS G CB  
1365 S SG  . CYS G 20 ? 0.1872 0.0999 0.3201 0.0218  -0.0114 0.0176  20 CYS G SG  
1366 N N   . ASN G 21 ? 0.1916 0.1203 0.3940 -0.0007 -0.0111 0.0471  21 ASN G N   
1367 C CA  . ASN G 21 ? 0.1890 0.1313 0.4176 -0.0017 -0.0101 0.0559  21 ASN G CA  
1368 C C   . ASN G 21 ? 0.1665 0.1159 0.4029 0.0027  -0.0052 0.0597  21 ASN G C   
1369 O O   . ASN G 21 ? 0.2620 0.2207 0.5198 0.0044  -0.0027 0.0683  21 ASN G O   
1370 C CB  . ASN G 21 ? 0.2204 0.1623 0.4550 -0.0045 -0.0245 0.0627  21 ASN G CB  
1371 C CG  . ASN G 21 ? 0.2658 0.2020 0.5021 -0.0135 -0.0275 0.0618  21 ASN G CG  
1372 O OD1 . ASN G 21 ? 0.3612 0.3026 0.6060 -0.0167 -0.0176 0.0620  21 ASN G OD1 
1373 N ND2 . ASN G 21 ? 0.2392 0.1647 0.4697 -0.0188 -0.0418 0.0607  21 ASN G ND2 
1374 O OXT . ASN G 21 ? 0.2248 0.1697 0.4480 0.0046  -0.0036 0.0559  21 ASN G OXT 
1375 N N   . PHE H 1  ? 0.2222 0.2717 0.3481 -0.0215 0.0232  0.1517  1  PHE H N   
1376 C CA  . PHE H 1  ? 0.2273 0.2512 0.3204 -0.0176 0.0226  0.1287  1  PHE H CA  
1377 C C   . PHE H 1  ? 0.2186 0.2257 0.3046 -0.0252 0.0065  0.1039  1  PHE H C   
1378 O O   . PHE H 1  ? 0.2356 0.2437 0.3196 -0.0238 0.0078  0.0950  1  PHE H O   
1379 C CB  . PHE H 1  ? 0.2389 0.2550 0.3013 -0.0009 0.0437  0.1239  1  PHE H CB  
1380 C CG  . PHE H 1  ? 0.2882 0.2775 0.3168 0.0014  0.0408  0.1021  1  PHE H CG  
1381 C CD1 . PHE H 1  ? 0.4780 0.4578 0.5000 -0.0024 0.0342  0.1022  1  PHE H CD1 
1382 C CD2 . PHE H 1  ? 0.3826 0.3572 0.3880 0.0063  0.0434  0.0835  1  PHE H CD2 
1383 C CE1 . PHE H 1  ? 0.4707 0.4275 0.4645 -0.0013 0.0301  0.0847  1  PHE H CE1 
1384 C CE2 . PHE H 1  ? 0.4563 0.4081 0.4339 0.0067  0.0386  0.0667  1  PHE H CE2 
1385 C CZ  . PHE H 1  ? 0.3839 0.3271 0.3560 0.0028  0.0319  0.0676  1  PHE H CZ  
1386 N N   . VAL H 2  ? 0.2189 0.2112 0.3011 -0.0322 -0.0077 0.0940  2  VAL H N   
1387 C CA  . VAL H 2  ? 0.2129 0.1910 0.2929 -0.0390 -0.0236 0.0749  2  VAL H CA  
1388 C C   . VAL H 2  ? 0.2074 0.1758 0.2647 -0.0316 -0.0173 0.0546  2  VAL H C   
1389 O O   . VAL H 2  ? 0.2000 0.1672 0.2580 -0.0335 -0.0219 0.0443  2  VAL H O   
1390 C CB  . VAL H 2  ? 0.2367 0.2001 0.3169 -0.0453 -0.0381 0.0705  2  VAL H CB  
1391 C CG1 . VAL H 2  ? 0.2188 0.1652 0.2919 -0.0482 -0.0510 0.0502  2  VAL H CG1 
1392 C CG2 . VAL H 2  ? 0.2270 0.1987 0.3313 -0.0550 -0.0477 0.0915  2  VAL H CG2 
1393 N N   . ASN H 3  ? 0.2136 0.1736 0.2494 -0.0239 -0.0080 0.0497  3  ASN H N   
1394 C CA  . ASN H 3  ? 0.2425 0.1917 0.2578 -0.0192 -0.0057 0.0321  3  ASN H CA  
1395 C C   . ASN H 3  ? 0.2054 0.1622 0.2183 -0.0145 0.0038  0.0315  3  ASN H C   
1396 O O   . ASN H 3  ? 0.2034 0.1558 0.2092 -0.0142 0.0013  0.0179  3  ASN H O   
1397 C CB  . ASN H 3  ? 0.2710 0.2069 0.2620 -0.0140 -0.0005 0.0295  3  ASN H CB  
1398 C CG  . ASN H 3  ? 0.3019 0.2260 0.2752 -0.0124 -0.0033 0.0134  3  ASN H CG  
1399 O OD1 . ASN H 3  ? 0.3335 0.2537 0.2912 -0.0073 0.0044  0.0100  3  ASN H OD1 
1400 N ND2 . ASN H 3  ? 0.3276 0.2457 0.3041 -0.0166 -0.0147 0.0050  3  ASN H ND2 
1401 N N   . GLN H 4  ? 0.2298 0.1991 0.2498 -0.0100 0.0154  0.0475  4  GLN H N   
1402 C CA  . GLN H 4  ? 0.2042 0.1823 0.2266 -0.0056 0.0238  0.0490  4  GLN H CA  
1403 C C   . GLN H 4  ? 0.1900 0.1773 0.2335 -0.0149 0.0118  0.0464  4  GLN H C   
1404 O O   . GLN H 4  ? 0.1829 0.1704 0.2226 -0.0140 0.0122  0.0373  4  GLN H O   
1405 C CB  . GLN H 4  ? 0.2669 0.2588 0.2959 0.0029  0.0398  0.0699  4  GLN H CB  
1406 C CG  . GLN H 4  ? 0.3120 0.3150 0.3474 0.0083  0.0491  0.0746  4  GLN H CG  
1407 C CD  . GLN H 4  ? 0.4134 0.4350 0.4627 0.0173  0.0653  0.0995  4  GLN H CD  
1408 O OE1 . GLN H 4  ? 0.6410 0.6549 0.6682 0.0319  0.0828  0.1037  4  GLN H OE1 
1409 N NE2 . GLN H 4  ? 0.6265 0.6715 0.7115 0.0090  0.0592  0.1173  4  GLN H NE2 
1410 N N   . HIS H 5  ? 0.1890 0.1816 0.2527 -0.0244 -0.0002 0.0547  5  HIS H N   
1411 C CA  . HIS H 5  ? 0.1830 0.1780 0.2610 -0.0341 -0.0141 0.0521  5  HIS H CA  
1412 C C   . HIS H 5  ? 0.1802 0.1593 0.2420 -0.0348 -0.0221 0.0293  5  HIS H C   
1413 O O   . HIS H 5  ? 0.1754 0.1556 0.2376 -0.0371 -0.0260 0.0226  5  HIS H O   
1414 C CB  . HIS H 5  ? 0.1896 0.1863 0.2871 -0.0450 -0.0283 0.0651  5  HIS H CB  
1415 C CG  . HIS H 5  ? 0.2709 0.2684 0.3818 -0.0560 -0.0436 0.0676  5  HIS H CG  
1416 N ND1 . HIS H 5  ? 0.3512 0.3306 0.4487 -0.0597 -0.0558 0.0487  5  HIS H ND1 
1417 C CD2 . HIS H 5  ? 0.1964 0.2094 0.3315 -0.0643 -0.0493 0.0879  5  HIS H CD2 
1418 C CE1 . HIS H 5  ? 0.3474 0.3274 0.4559 -0.0700 -0.0692 0.0556  5  HIS H CE1 
1419 N NE2 . HIS H 5  ? 0.3985 0.3994 0.5315 -0.0741 -0.0667 0.0799  5  HIS H NE2 
1420 N N   . LEU H 6  ? 0.1841 0.1498 0.2326 -0.0324 -0.0242 0.0190  6  LEU H N   
1421 C CA  . LEU H 6  ? 0.1998 0.1541 0.2356 -0.0310 -0.0294 0.0004  6  LEU H CA  
1422 C C   . LEU H 6  ? 0.1911 0.1488 0.2152 -0.0250 -0.0200 -0.0072 6  LEU H C   
1423 O O   . LEU H 6  ? 0.2225 0.1789 0.2430 -0.0252 -0.0233 -0.0179 6  LEU H O   
1424 C CB  . LEU H 6  ? 0.1880 0.1304 0.2160 -0.0294 -0.0331 -0.0052 6  LEU H CB  
1425 C CG  . LEU H 6  ? 0.2317 0.1675 0.2697 -0.0352 -0.0437 0.0017  6  LEU H CG  
1426 C CD1 . LEU H 6  ? 0.2227 0.1467 0.2530 -0.0325 -0.0471 -0.0049 6  LEU H CD1 
1427 C CD2 . LEU H 6  ? 0.2042 0.1331 0.2486 -0.0416 -0.0568 -0.0009 6  LEU H CD2 
1428 N N   . CYS H 7  ? 0.1879 0.1478 0.2036 -0.0193 -0.0084 -0.0016 7  CYS H N   
1429 C CA  . CYS H 7  ? 0.1912 0.1503 0.1937 -0.0143 -0.0010 -0.0080 7  CYS H CA  
1430 C C   . CYS H 7  ? 0.1660 0.1366 0.1787 -0.0155 0.0008  -0.0054 7  CYS H C   
1431 O O   . CYS H 7  ? 0.1854 0.1561 0.1924 -0.0148 0.0005  -0.0143 7  CYS H O   
1432 C CB  . CYS H 7  ? 0.2383 0.1906 0.2239 -0.0070 0.0103  -0.0023 7  CYS H CB  
1433 S SG  . CYS H 7  ? 0.1903 0.1349 0.1553 -0.0010 0.0176  -0.0090 7  CYS H SG  
1434 N N   . GLY H 8  ? 0.1658 0.1477 0.1957 -0.0179 0.0020  0.0086  8  GLY H N   
1435 C CA  . GLY H 8  ? 0.1843 0.1783 0.2265 -0.0202 0.0022  0.0135  8  GLY H CA  
1436 C C   . GLY H 8  ? 0.1964 0.1875 0.2404 -0.0275 -0.0107 0.0028  8  GLY H C   
1437 O O   . GLY H 8  ? 0.1770 0.1735 0.2216 -0.0280 -0.0102 0.0000  8  GLY H O   
1438 N N   . SER H 9  ? 0.2240 0.2049 0.2670 -0.0321 -0.0218 -0.0032 9  SER H N   
1439 C CA  . SER H 9  ? 0.2080 0.1811 0.2463 -0.0365 -0.0329 -0.0142 9  SER H CA  
1440 C C   . SER H 9  ? 0.2094 0.1809 0.2337 -0.0307 -0.0282 -0.0281 9  SER H C   
1441 O O   . SER H 9  ? 0.1693 0.1429 0.1911 -0.0322 -0.0309 -0.0331 9  SER H O   
1442 C CB  . SER H 9  ? 0.1762 0.1339 0.2116 -0.0396 -0.0443 -0.0184 9  SER H CB  
1443 O OG  . SER H 9  ? 0.4340 0.3935 0.4840 -0.0466 -0.0505 -0.0036 9  SER H OG  
1444 N N   . HIS H 10 ? 0.1557 0.1241 0.1713 -0.0249 -0.0222 -0.0329 10 HIS H N   
1445 C CA  . HIS H 10 ? 0.1663 0.1358 0.1721 -0.0208 -0.0188 -0.0423 10 HIS H CA  
1446 C C   . HIS H 10 ? 0.1679 0.1456 0.1728 -0.0194 -0.0113 -0.0387 10 HIS H C   
1447 O O   . HIS H 10 ? 0.2770 0.2580 0.2770 -0.0182 -0.0105 -0.0447 10 HIS H O   
1448 C CB  . HIS H 10 ? 0.1526 0.1158 0.1508 -0.0171 -0.0175 -0.0456 10 HIS H CB  
1449 C CG  . HIS H 10 ? 0.2275 0.1826 0.2268 -0.0168 -0.0242 -0.0494 10 HIS H CG  
1450 N ND1 . HIS H 10 ? 0.2109 0.1643 0.2074 -0.0134 -0.0272 -0.0578 10 HIS H ND1 
1451 C CD2 . HIS H 10 ? 0.1819 0.1298 0.1847 -0.0184 -0.0280 -0.0451 10 HIS H CD2 
1452 C CE1 . HIS H 10 ? 0.2696 0.2131 0.2668 -0.0121 -0.0324 -0.0592 10 HIS H CE1 
1453 N NE2 . HIS H 10 ? 0.2138 0.1537 0.2151 -0.0161 -0.0339 -0.0518 10 HIS H NE2 
1454 N N   . LEU H 11 ? 0.1815 0.1628 0.1912 -0.0185 -0.0051 -0.0280 11 LEU H N   
1455 C CA  . LEU H 11 ? 0.1935 0.1802 0.2014 -0.0153 0.0030  -0.0239 11 LEU H CA  
1456 C C   . LEU H 11 ? 0.1519 0.1488 0.1695 -0.0196 -0.0008 -0.0236 11 LEU H C   
1457 O O   . LEU H 11 ? 0.1955 0.1949 0.2081 -0.0185 0.0009  -0.0281 11 LEU H O   
1458 C CB  . LEU H 11 ? 0.1491 0.1376 0.1600 -0.0107 0.0126  -0.0106 11 LEU H CB  
1459 C CG  . LEU H 11 ? 0.2169 0.1934 0.2078 -0.0022 0.0225  -0.0108 11 LEU H CG  
1460 C CD1 . LEU H 11 ? 0.2630 0.2251 0.2373 -0.0029 0.0173  -0.0208 11 LEU H CD1 
1461 C CD2 . LEU H 11 ? 0.1715 0.1489 0.1635 0.0048  0.0336  0.0032  11 LEU H CD2 
1462 N N   . VAL H 12 ? 0.1368 0.1386 0.1677 -0.0257 -0.0075 -0.0173 12 VAL H N   
1463 C CA  . VAL H 12 ? 0.1343 0.1437 0.1727 -0.0312 -0.0130 -0.0154 12 VAL H CA  
1464 C C   . VAL H 12 ? 0.1736 0.1776 0.1999 -0.0323 -0.0189 -0.0296 12 VAL H C   
1465 O O   . VAL H 12 ? 0.1660 0.1761 0.1917 -0.0338 -0.0195 -0.0309 12 VAL H O   
1466 C CB  . VAL H 12 ? 0.1401 0.1528 0.1940 -0.0395 -0.0222 -0.0036 12 VAL H CB  
1467 C CG1 . VAL H 12 ? 0.1386 0.1628 0.2087 -0.0369 -0.0137 0.0145  12 VAL H CG1 
1468 C CG2 . VAL H 12 ? 0.1675 0.1657 0.2152 -0.0433 -0.0329 -0.0102 12 VAL H CG2 
1469 N N   . GLU H 13 ? 0.1728 0.1661 0.1894 -0.0305 -0.0227 -0.0391 13 GLU H N   
1470 C CA  . GLU H 13 ? 0.1975 0.1874 0.2025 -0.0283 -0.0251 -0.0508 13 GLU H CA  
1471 C C   . GLU H 13 ? 0.1843 0.1826 0.1860 -0.0241 -0.0175 -0.0532 13 GLU H C   
1472 O O   . GLU H 13 ? 0.1451 0.1486 0.1428 -0.0239 -0.0179 -0.0572 13 GLU H O   
1473 C CB  . GLU H 13 ? 0.1922 0.1700 0.1896 -0.0249 -0.0285 -0.0582 13 GLU H CB  
1474 C CG  . GLU H 13 ? 0.4476 0.4130 0.4340 -0.0253 -0.0368 -0.0655 13 GLU H CG  
1475 C CD  . GLU H 13 ? 0.3618 0.3316 0.3381 -0.0213 -0.0339 -0.0723 13 GLU H CD  
1476 O OE1 . GLU H 13 ? 0.6034 0.5855 0.5823 -0.0169 -0.0261 -0.0728 13 GLU H OE1 
1477 O OE2 . GLU H 13 ? 0.4162 0.3763 0.3806 -0.0229 -0.0403 -0.0763 13 GLU H OE2 
1478 N N   . ALA H 14 ? 0.1942 0.1918 0.1955 -0.0211 -0.0117 -0.0502 14 ALA H N   
1479 C CA  . ALA H 14 ? 0.1248 0.1259 0.1211 -0.0189 -0.0074 -0.0510 14 ALA H CA  
1480 C C   . ALA H 14 ? 0.1282 0.1367 0.1285 -0.0204 -0.0046 -0.0462 14 ALA H C   
1481 O O   . ALA H 14 ? 0.1765 0.1906 0.1746 -0.0208 -0.0046 -0.0483 14 ALA H O   
1482 C CB  . ALA H 14 ? 0.1668 0.1587 0.1561 -0.0161 -0.0038 -0.0486 14 ALA H CB  
1483 N N   . LEU H 15 ? 0.1461 0.1565 0.1546 -0.0212 -0.0021 -0.0377 15 LEU H N   
1484 C CA  . LEU H 15 ? 0.1568 0.1757 0.1721 -0.0220 0.0008  -0.0310 15 LEU H CA  
1485 C C   . LEU H 15 ? 0.1653 0.1919 0.1837 -0.0276 -0.0061 -0.0340 15 LEU H C   
1486 O O   . LEU H 15 ? 0.1367 0.1698 0.1556 -0.0282 -0.0050 -0.0330 15 LEU H O   
1487 C CB  . LEU H 15 ? 0.1947 0.2179 0.2225 -0.0213 0.0049  -0.0180 15 LEU H CB  
1488 C CG  . LEU H 15 ? 0.2136 0.2317 0.2368 -0.0125 0.0167  -0.0110 15 LEU H CG  
1489 C CD1 . LEU H 15 ? 0.2115 0.2272 0.2269 -0.0086 0.0213  -0.0122 15 LEU H CD1 
1490 C CD2 . LEU H 15 ? 0.2905 0.2942 0.2988 -0.0086 0.0185  -0.0164 15 LEU H CD2 
1491 N N   . TYR H 16 ? 0.1598 0.1830 0.1775 -0.0315 -0.0139 -0.0377 16 TYR H N   
1492 C CA  . TYR H 16 ? 0.1436 0.1687 0.1573 -0.0360 -0.0209 -0.0414 16 TYR H CA  
1493 C C   . TYR H 16 ? 0.1552 0.1840 0.1592 -0.0325 -0.0182 -0.0492 16 TYR H C   
1494 O O   . TYR H 16 ? 0.1800 0.2160 0.1832 -0.0350 -0.0195 -0.0485 16 TYR H O   
1495 C CB  . TYR H 16 ? 0.1720 0.1847 0.1790 -0.0391 -0.0302 -0.0458 16 TYR H CB  
1496 C CG  . TYR H 16 ? 0.1604 0.1675 0.1545 -0.0423 -0.0379 -0.0515 16 TYR H CG  
1497 C CD1 . TYR H 16 ? 0.1878 0.1966 0.1860 -0.0509 -0.0462 -0.0443 16 TYR H CD1 
1498 C CD2 . TYR H 16 ? 0.1633 0.1631 0.1401 -0.0361 -0.0369 -0.0629 16 TYR H CD2 
1499 C CE1 . TYR H 16 ? 0.1831 0.1827 0.1642 -0.0541 -0.0543 -0.0498 16 TYR H CE1 
1500 C CE2 . TYR H 16 ? 0.2316 0.2232 0.1911 -0.0370 -0.0425 -0.0684 16 TYR H CE2 
1501 C CZ  . TYR H 16 ? 0.2319 0.2216 0.1914 -0.0464 -0.0518 -0.0626 16 TYR H CZ  
1502 O OH  . TYR H 16 ? 0.2317 0.2105 0.1710 -0.0462 -0.0575 -0.0677 16 TYR H OH  
1503 N N   . LEU H 17 ? 0.1252 0.1509 0.1236 -0.0273 -0.0149 -0.0547 17 LEU H N   
1504 C CA  . LEU H 17 ? 0.1547 0.1874 0.1481 -0.0243 -0.0127 -0.0586 17 LEU H CA  
1505 C C   . LEU H 17 ? 0.1097 0.1500 0.1074 -0.0256 -0.0095 -0.0533 17 LEU H C   
1506 O O   . LEU H 17 ? 0.1508 0.2005 0.1480 -0.0266 -0.0097 -0.0528 17 LEU H O   
1507 C CB  . LEU H 17 ? 0.1604 0.1897 0.1506 -0.0192 -0.0112 -0.0625 17 LEU H CB  
1508 C CG  A LEU H 17 ? 0.1761 0.1951 0.1602 -0.0161 -0.0140 -0.0683 17 LEU H CG  
1509 C CG  B LEU H 17 ? 0.1741 0.2142 0.1634 -0.0157 -0.0090 -0.0630 17 LEU H CG  
1510 C CD1 A LEU H 17 ? 0.2075 0.2253 0.1918 -0.0105 -0.0120 -0.0699 17 LEU H CD1 
1511 C CD1 B LEU H 17 ? 0.1623 0.2062 0.1440 -0.0126 -0.0086 -0.0669 17 LEU H CD1 
1512 C CD2 A LEU H 17 ? 0.2320 0.2498 0.2054 -0.0144 -0.0159 -0.0731 17 LEU H CD2 
1513 C CD2 B LEU H 17 ? 0.1733 0.2117 0.1643 -0.0115 -0.0083 -0.0631 17 LEU H CD2 
1514 N N   . VAL H 18 ? 0.1667 0.2008 0.1663 -0.0248 -0.0067 -0.0492 18 VAL H N   
1515 C CA  . VAL H 18 ? 0.1507 0.1847 0.1488 -0.0247 -0.0045 -0.0451 18 VAL H CA  
1516 C C   . VAL H 18 ? 0.1118 0.1529 0.1164 -0.0270 -0.0037 -0.0399 18 VAL H C   
1517 O O   . VAL H 18 ? 0.1403 0.1871 0.1450 -0.0287 -0.0046 -0.0382 18 VAL H O   
1518 C CB  . VAL H 18 ? 0.2218 0.2409 0.2129 -0.0213 -0.0012 -0.0431 18 VAL H CB  
1519 C CG1 . VAL H 18 ? 0.2025 0.2142 0.1864 -0.0204 0.0000  -0.0396 18 VAL H CG1 
1520 C CG2 . VAL H 18 ? 0.2419 0.2547 0.2271 -0.0205 -0.0039 -0.0471 18 VAL H CG2 
1521 N N   . CYS H 19 ? 0.1242 0.1663 0.1364 -0.0278 -0.0028 -0.0353 19 CYS H N   
1522 C CA  . CYS H 19 ? 0.1776 0.2275 0.1992 -0.0298 -0.0020 -0.0272 19 CYS H CA  
1523 C C   . CYS H 19 ? 0.1844 0.2446 0.2073 -0.0356 -0.0081 -0.0289 19 CYS H C   
1524 O O   . CYS H 19 ? 0.1454 0.2127 0.1727 -0.0374 -0.0081 -0.0241 19 CYS H O   
1525 C CB  . CYS H 19 ? 0.1210 0.1725 0.1545 -0.0298 -0.0002 -0.0182 19 CYS H CB  
1526 S SG  . CYS H 19 ? 0.1133 0.1533 0.1431 -0.0209 0.0095  -0.0143 19 CYS H SG  
1527 N N   . GLY H 20 ? 0.1976 0.4154 0.3207 -0.0673 -0.0562 -0.1294 20 GLY H N   
1528 C CA  . GLY H 20 ? 0.2030 0.4465 0.3252 -0.0800 -0.0454 -0.1339 20 GLY H CA  
1529 C C   . GLY H 20 ? 0.2289 0.4284 0.3198 -0.0847 -0.0465 -0.1087 20 GLY H C   
1530 O O   . GLY H 20 ? 0.3080 0.4780 0.3866 -0.0709 -0.0625 -0.0990 20 GLY H O   
1531 N N   . GLU H 21 ? 0.2460 0.4442 0.3267 -0.1061 -0.0307 -0.0938 21 GLU H N   
1532 C CA  . GLU H 21 ? 0.2512 0.4173 0.3031 -0.1117 -0.0353 -0.0650 21 GLU H CA  
1533 C C   . GLU H 21 ? 0.2413 0.3694 0.3044 -0.1082 -0.0429 -0.0404 21 GLU H C   
1534 O O   . GLU H 21 ? 0.2968 0.4059 0.3481 -0.1061 -0.0549 -0.0146 21 GLU H O   
1535 C CB  . GLU H 21 ? 0.2846 0.4597 0.3208 -0.1353 -0.0163 -0.0497 21 GLU H CB  
1536 C CG  . GLU H 21 ? 0.3049 0.5210 0.3257 -0.1380 -0.0011 -0.0713 21 GLU H CG  
1537 C CD  . GLU H 21 ? 0.3456 0.5722 0.3470 -0.1642 0.0217  -0.0518 21 GLU H CD  
1538 O OE1 . GLU H 21 ? 0.3714 0.5704 0.3772 -0.1804 0.0242  -0.0212 21 GLU H OE1 
1539 O OE2 . GLU H 21 ? 0.3736 0.6337 0.3543 -0.1671 0.0400  -0.0657 21 GLU H OE2 
1540 N N   . ARG H 22 ? 0.2319 0.3505 0.3174 -0.1077 -0.0359 -0.0480 22 ARG H N   
1541 C CA  . ARG H 22 ? 0.2334 0.3136 0.3279 -0.1003 -0.0347 -0.0275 22 ARG H CA  
1542 C C   . ARG H 22 ? 0.2136 0.2882 0.3082 -0.0794 -0.0514 -0.0222 22 ARG H C   
1543 O O   . ARG H 22 ? 0.2158 0.2698 0.3206 -0.0718 -0.0518 0.0053  22 ARG H O   
1544 C CB  . ARG H 22 ? 0.2452 0.3087 0.3504 -0.1066 -0.0210 -0.0445 22 ARG H CB  
1545 C CG  . ARG H 22 ? 0.2784 0.3262 0.3889 -0.1311 -0.0021 -0.0383 22 ARG H CG  
1546 C CD  . ARG H 22 ? 0.3591 0.3847 0.4745 -0.1429 0.0074  -0.0627 22 ARG H CD  
1547 N NE  . ARG H 22 ? 0.3078 0.3795 0.4282 -0.1492 -0.0045 -0.0961 22 ARG H NE  
1548 C CZ  . ARG H 22 ? 0.4624 0.5302 0.5844 -0.1646 -0.0054 -0.1223 22 ARG H CZ  
1549 N NH1 . ARG H 22 ? 0.5420 0.5509 0.6534 -0.1760 0.0083  -0.1252 22 ARG H NH1 
1550 N NH2 . ARG H 22 ? 0.3931 0.5085 0.5200 -0.1593 -0.0208 -0.1382 22 ARG H NH2 
1551 N N   . GLY H 23 ? 0.2234 0.3171 0.3123 -0.0693 -0.0642 -0.0447 23 GLY H N   
1552 C CA  . GLY H 23 ? 0.1879 0.2717 0.2770 -0.0526 -0.0790 -0.0381 23 GLY H CA  
1553 C C   . GLY H 23 ? 0.1918 0.2613 0.2865 -0.0426 -0.0715 -0.0399 23 GLY H C   
1554 O O   . GLY H 23 ? 0.1995 0.2617 0.2941 -0.0491 -0.0569 -0.0511 23 GLY H O   
1555 N N   . PHE H 24 ? 0.2269 0.2886 0.3217 -0.0289 -0.0810 -0.0290 24 PHE H N   
1556 C CA  . PHE H 24 ? 0.2025 0.2515 0.2914 -0.0182 -0.0719 -0.0303 24 PHE H CA  
1557 C C   . PHE H 24 ? 0.1906 0.2309 0.2878 -0.0074 -0.0757 -0.0029 24 PHE H C   
1558 O O   . PHE H 24 ? 0.1825 0.2268 0.2884 -0.0100 -0.0930 0.0104  24 PHE H O   
1559 C CB  . PHE H 24 ? 0.1974 0.2614 0.2694 -0.0139 -0.0819 -0.0586 24 PHE H CB  
1560 C CG  . PHE H 24 ? 0.1898 0.2665 0.2614 -0.0029 -0.1039 -0.0609 24 PHE H CG  
1561 C CD1 . PHE H 24 ? 0.1838 0.2769 0.2605 -0.0054 -0.1096 -0.0726 24 PHE H CD1 
1562 C CD2 . PHE H 24 ? 0.2001 0.2655 0.2620 0.0109  -0.1129 -0.0490 24 PHE H CD2 
1563 C CE1 . PHE H 24 ? 0.1932 0.2811 0.2637 0.0078  -0.1177 -0.0725 24 PHE H CE1 
1564 C CE2 . PHE H 24 ? 0.2044 0.2697 0.2665 0.0221  -0.1323 -0.0495 24 PHE H CE2 
1565 C CZ  . PHE H 24 ? 0.2037 0.2750 0.2686 0.0209  -0.1293 -0.0615 24 PHE H CZ  
1566 N N   . PHE H 25 ? 0.2071 0.2341 0.2992 0.0023  -0.0579 0.0042  25 PHE H N   
1567 C CA  . PHE H 25 ? 0.2126 0.2372 0.3119 0.0124  -0.0558 0.0301  25 PHE H CA  
1568 C C   . PHE H 25 ? 0.2761 0.2971 0.3401 0.0211  -0.0598 0.0157  25 PHE H C   
1569 O O   . PHE H 25 ? 0.3336 0.3464 0.3681 0.0232  -0.0475 -0.0053 25 PHE H O   
1570 C CB  . PHE H 25 ? 0.2744 0.2909 0.3951 0.0208  -0.0256 0.0539  25 PHE H CB  
1571 C CG  . PHE H 25 ? 0.2565 0.2862 0.4236 0.0160  -0.0289 0.0857  25 PHE H CG  
1572 C CD1 . PHE H 25 ? 0.2883 0.3161 0.4633 0.0073  -0.0311 0.0827  25 PHE H CD1 
1573 C CD2 . PHE H 25 ? 0.2256 0.2733 0.4297 0.0178  -0.0313 0.1225  25 PHE H CD2 
1574 C CE1 . PHE H 25 ? 0.2730 0.3161 0.4864 0.0027  -0.0390 0.1164  25 PHE H CE1 
1575 C CE2 . PHE H 25 ? 0.2506 0.3189 0.5010 0.0110  -0.0407 0.1547  25 PHE H CE2 
1576 C CZ  . PHE H 25 ? 0.2013 0.2670 0.4535 0.0046  -0.0461 0.1520  25 PHE H CZ  
1577 N N   . TYR H 26 ? 0.2326 0.2557 0.2961 0.0245  -0.0792 0.0276  26 TYR H N   
1578 C CA  . TYR H 26 ? 0.2680 0.2870 0.2983 0.0346  -0.0860 0.0243  26 TYR H CA  
1579 C C   . TYR H 26 ? 0.2828 0.2934 0.3120 0.0400  -0.0684 0.0573  26 TYR H C   
1580 O O   . TYR H 26 ? 0.2749 0.2851 0.3343 0.0351  -0.0746 0.0857  26 TYR H O   
1581 C CB  . TYR H 26 ? 0.2572 0.2775 0.2877 0.0384  -0.1165 0.0184  26 TYR H CB  
1582 C CG  . TYR H 26 ? 0.3141 0.3302 0.3133 0.0514  -0.1275 0.0229  26 TYR H CG  
1583 C CD1 . TYR H 26 ? 0.3097 0.3411 0.2790 0.0563  -0.1323 0.0006  26 TYR H CD1 
1584 C CD2 . TYR H 26 ? 0.3140 0.3109 0.3129 0.0561  -0.1355 0.0524  26 TYR H CD2 
1585 C CE1 . TYR H 26 ? 0.3490 0.3804 0.2857 0.0681  -0.1471 0.0092  26 TYR H CE1 
1586 C CE2 . TYR H 26 ? 0.3542 0.3449 0.3210 0.0687  -0.1463 0.0628  26 TYR H CE2 
1587 C CZ  . TYR H 26 ? 0.3716 0.3814 0.3057 0.0761  -0.1531 0.0420  26 TYR H CZ  
1588 O OH  . TYR H 26 ? 0.4801 0.4875 0.3784 0.0887  -0.1686 0.0566  26 TYR H OH  
1589 N N   . THR H 27 ? 0.3186 0.3229 0.3115 0.0476  -0.0456 0.0530  27 THR H N   
1590 C CA  . THR H 27 ? 0.3932 0.3932 0.3777 0.0547  -0.0206 0.0834  27 THR H CA  
1591 C C   . THR H 27 ? 0.4025 0.3944 0.3232 0.0618  -0.0250 0.0779  27 THR H C   
1592 O O   . THR H 27 ? 0.4372 0.4215 0.3092 0.0639  -0.0150 0.0498  27 THR H O   
1593 C CB  . THR H 27 ? 0.3639 0.3610 0.3598 0.0609  0.0212  0.0865  27 THR H CB  
1594 O OG1 . THR H 27 ? 0.4678 0.4467 0.4192 0.0622  0.0314  0.0474  27 THR H OG1 
1595 C CG2 . THR H 27 ? 0.3555 0.3662 0.4187 0.0552  0.0209  0.1023  27 THR H CG2 
1596 N N   . PRO H 28 ? 0.4184 0.4078 0.3333 0.0637  -0.0416 0.1042  28 PRO H N   
1597 C CA  . PRO H 28 ? 0.4884 0.4713 0.3393 0.0714  -0.0501 0.1063  28 PRO H CA  
1598 C C   . PRO H 28 ? 0.6213 0.5982 0.4289 0.0761  -0.0092 0.1230  28 PRO H C   
1599 O O   . PRO H 28 ? 0.5283 0.5088 0.3662 0.0767  0.0274  0.1355  28 PRO H O   
1600 C CB  . PRO H 28 ? 0.4832 0.4575 0.3523 0.0726  -0.0790 0.1356  28 PRO H CB  
1601 C CG  . PRO H 28 ? 0.4363 0.4096 0.3743 0.0618  -0.0841 0.1440  28 PRO H CG  
1602 C CD  . PRO H 28 ? 0.4371 0.4251 0.4016 0.0566  -0.0538 0.1369  28 PRO H CD  
1603 N N   . LYS H 29 ? 0.8063 0.7766 0.5415 0.0811  -0.0153 0.1247  29 LYS H N   
1604 C CA  . LYS H 29 ? 0.8971 0.8591 0.5717 0.0861  0.0251  0.1382  29 LYS H CA  
1605 C C   . LYS H 29 ? 0.8901 0.8571 0.6011 0.0860  0.0507  0.1910  29 LYS H C   
1606 O O   . LYS H 29 ? 0.9688 0.9389 0.6654 0.0911  0.0993  0.2058  29 LYS H O   
1607 C CB  . LYS H 29 ? 0.8825 0.8383 0.4633 0.0885  0.0045  0.1322  29 LYS H CB  
1608 C CG  . LYS H 29 ? 0.9446 0.9016 0.5263 0.0916  -0.0342 0.1689  29 LYS H CG  
1609 C CD  . LYS H 29 ? 1.0449 0.9922 0.5813 0.0939  -0.0085 0.2172  29 LYS H CD  
1610 C CE  . LYS H 29 ? 1.0159 0.9535 0.5639 0.0967  -0.0455 0.2598  29 LYS H CE  
1611 N NZ  . LYS H 29 ? 1.2296 1.1550 0.7288 0.0926  -0.0233 0.3044  29 LYS H NZ  
1612 O OXT . LYS H 29 ? 0.9441 0.9118 0.7017 0.0799  0.0247  0.2197  29 LYS H OXT 
# 
