data_8W32
# 
_entry.id   8W32 
# 
_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   8W32         pdb_00008w32 10.2210/pdb8w32/pdb 
WWPDB D_1000281519 ?            ?                   
# 
_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       2025-03-05 
_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                        8W32 
_pdbx_database_status.recvd_initial_deposition_date   2024-02-21 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_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_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          8W2Y 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              mgochin@touro.edu 
_pdbx_contact_author.name_first         Miriam 
_pdbx_contact_author.name_last          Gochin 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-6652-1103 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'McAndrew, R.P.' 1 0000-0003-3465-2560 
'Ralston, C.Y.'  2 0000-0002-7899-0951 
'Gochin, M.'     3 0000-0002-6652-1103 
# 
loop_
_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 
_citation.journal_abbrev 
_citation.journal_id_ASTM 
_citation.journal_id_CSD 
_citation.journal_id_ISSN 
_citation.journal_full 
_citation.journal_issue 
_citation.journal_volume 
_citation.language 
_citation.page_first 
_citation.page_last 
_citation.title 
_citation.year 
_citation.database_id_CSD 
_citation.pdbx_database_id_DOI 
_citation.pdbx_database_id_PubMed 
_citation.pdbx_database_id_patent 
_citation.unpublished_flag 
? ? ? ? ? ? ? UK ? ? primary J.Mol.Biol.                                      JMOBAK 0070 1089-8638 ? ? 436 ? 168650 168650 
'Structure and Interactions of HIV-1 gp41 CHR-NHR Reverse Hairpin Constructs Reveal Molecular Determinants of Antiviral Activity.' 
2024 ? 10.1016/j.jmb.2024.168650 38866091 ? ? 
? ? ? ? ? ? ? DK ? ? 1       'Acta Crystallogr., Sect. D: Biol. Crystallogr.' ABCRE6 0766 0907-4449 ? ? 75  ? 861    877    
'Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix'                       
2019 ? 10.1107/S2059798319011471 31588918 ? ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'He, L.'             1  ?                   
primary 'McAndrew, R.'       2  ?                   
primary 'Barbu, R.'          3  ?                   
primary 'Gifford, G.'        4  ?                   
primary 'Halacoglu, C.'      5  ?                   
primary 'Drouin-Allaire, C.' 6  ?                   
primary 'Weber, L.'          7  ?                   
primary 'Kristensen, L.G.'   8  ?                   
primary 'Gupta, S.'          9  ?                   
primary 'Chen, Y.'           10 ?                   
primary 'Petzold, C.J.'      11 ?                   
primary 'Allaire, M.'        12 ?                   
primary 'Li, K.H.'           13 ?                   
primary 'Ralston, C.Y.'      14 ?                   
primary 'Gochin, M.'         15 ?                   
1       'Liebschner, D.'     16 0000-0003-3921-3209 
1       'Afonine, P.V.'      17 0000-0002-5052-991X 
1       'Baker, M.L.'        18 ?                   
1       'Bunkoczi, G.'       19 ?                   
1       'Chen, V.B.'         20 0000-0003-2492-979X 
1       'Croll, T.I.'        21 ?                   
1       'Hintze, B.'         22 0000-0002-4871-2096 
1       'Hung, L.W.'         23 0000-0001-6690-8458 
1       'Jain, S.'           24 ?                   
1       'McCoy, A.J.'        25 ?                   
1       'Moriarty, N.W.'     26 0000-0001-8857-9464 
1       'Oeffner, R.D.'      27 0000-0003-3107-2202 
1       'Poon, B.K.'         28 0000-0001-9633-6067 
1       'Prisant, M.G.'      29 ?                   
1       'Read, R.J.'         30 0000-0001-8273-0047 
1       'Richardson, J.S.'   31 0000-0002-3311-2944 
1       'Richardson, D.C.'   32 ?                   
1       'Sammito, M.D.'      33 0000-0002-8346-9247 
1       'Sobolev, O.V.'      34 0000-0002-0623-3214 
1       'Stockwell, D.H.'    35 ?                   
1       'Terwilliger, T.C.'  36 0000-0001-6384-0320 
1       'Urzhumtsev, A.G.'   37 ?                   
1       'Videau, L.L.'       38 ?                   
1       'Williams, C.J.'     39 ?                   
1       'Adams, P.D.'        40 0000-0001-9333-8219 
# 
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 'Transmembrane protein gp41' 9715.896 1  ? ? ? ? 
2 non-polymer syn 'SULFATE ION'                96.063   1  ? ? ? ? 
3 non-polymer syn GLYCEROL                     92.094   1  ? ? ? ? 
4 water       nat water                        18.015   35 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'TM,Glycoprotein 41,gp41' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;PTSLIEELIRRSEEQQRRNEEALRREDSGGGRQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILAVERYLKDQ
QED
;
_entity_poly.pdbx_seq_one_letter_code_can   
;PTSLIEELIRRSEEQQRRNEEALRREDSGGGRQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILAVERYLKDQ
QED
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'SULFATE ION' SO4 
3 GLYCEROL      GOL 
4 water         HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  PRO n 
1 2  THR n 
1 3  SER n 
1 4  LEU n 
1 5  ILE n 
1 6  GLU n 
1 7  GLU n 
1 8  LEU n 
1 9  ILE n 
1 10 ARG n 
1 11 ARG n 
1 12 SER n 
1 13 GLU n 
1 14 GLU n 
1 15 GLN n 
1 16 GLN n 
1 17 ARG n 
1 18 ARG n 
1 19 ASN n 
1 20 GLU n 
1 21 GLU n 
1 22 ALA n 
1 23 LEU n 
1 24 ARG n 
1 25 ARG n 
1 26 GLU n 
1 27 ASP n 
1 28 SER n 
1 29 GLY n 
1 30 GLY n 
1 31 GLY n 
1 32 ARG n 
1 33 GLN n 
1 34 LEU n 
1 35 LEU n 
1 36 SER n 
1 37 GLY n 
1 38 ILE n 
1 39 VAL n 
1 40 GLN n 
1 41 GLN n 
1 42 GLN n 
1 43 ASN n 
1 44 ASN n 
1 45 LEU n 
1 46 LEU n 
1 47 ARG n 
1 48 ALA n 
1 49 ILE n 
1 50 GLU n 
1 51 ALA n 
1 52 GLN n 
1 53 GLN n 
1 54 HIS n 
1 55 LEU n 
1 56 LEU n 
1 57 GLN n 
1 58 LEU n 
1 59 THR n 
1 60 VAL n 
1 61 TRP n 
1 62 GLY n 
1 63 ILE n 
1 64 LYS n 
1 65 GLN n 
1 66 LEU n 
1 67 GLN n 
1 68 ALA n 
1 69 ARG n 
1 70 ILE n 
1 71 LEU n 
1 72 ALA n 
1 73 VAL n 
1 74 GLU n 
1 75 ARG n 
1 76 TYR n 
1 77 LEU n 
1 78 LYS n 
1 79 ASP n 
1 80 GLN n 
1 81 GLN n 
1 82 GLU n 
1 83 ASP n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   83 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 env 
_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      'Human immunodeficiency virus 1' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     11676 
_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      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_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                   ? 
# 
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 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ?                               'C4 H7 N O4'     133.103 
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  
GOL non-polymer         . GLYCEROL        'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
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 
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 
PRO 'L-peptide linking' y PROLINE         ?                               'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ?                               'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'   ?                               'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE       ?                               'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ?                               'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ?                               'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ?                               'C5 H11 N O2'    117.146 
# 
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  PRO 1  1  ?  ?   ?   A . n 
A 1 2  THR 2  2  ?  ?   ?   A . n 
A 1 3  SER 3  3  3  SER SER A . n 
A 1 4  LEU 4  4  4  LEU LEU A . n 
A 1 5  ILE 5  5  5  ILE ILE A . n 
A 1 6  GLU 6  6  6  GLU GLU A . n 
A 1 7  GLU 7  7  7  GLU GLU A . n 
A 1 8  LEU 8  8  8  LEU LEU A . n 
A 1 9  ILE 9  9  9  ILE ILE A . n 
A 1 10 ARG 10 10 10 ARG ARG A . n 
A 1 11 ARG 11 11 11 ARG ARG A . n 
A 1 12 SER 12 12 12 SER SER A . n 
A 1 13 GLU 13 13 13 GLU GLU A . n 
A 1 14 GLU 14 14 14 GLU GLU A . n 
A 1 15 GLN 15 15 15 GLN GLN A . n 
A 1 16 GLN 16 16 16 GLN GLN A . n 
A 1 17 ARG 17 17 17 ARG ARG A . n 
A 1 18 ARG 18 18 18 ARG ARG A . n 
A 1 19 ASN 19 19 19 ASN ASN A . n 
A 1 20 GLU 20 20 20 GLU GLU A . n 
A 1 21 GLU 21 21 21 GLU GLU A . n 
A 1 22 ALA 22 22 22 ALA ALA A . n 
A 1 23 LEU 23 23 23 LEU LEU A . n 
A 1 24 ARG 24 24 24 ARG ARG A . n 
A 1 25 ARG 25 25 ?  ?   ?   A . n 
A 1 26 GLU 26 26 ?  ?   ?   A . n 
A 1 27 ASP 27 27 ?  ?   ?   A . n 
A 1 28 SER 28 28 ?  ?   ?   A . n 
A 1 29 GLY 29 29 ?  ?   ?   A . n 
A 1 30 GLY 30 30 ?  ?   ?   A . n 
A 1 31 GLY 31 31 ?  ?   ?   A . n 
A 1 32 ARG 32 32 ?  ?   ?   A . n 
A 1 33 GLN 33 33 33 GLN GLN A . n 
A 1 34 LEU 34 34 34 LEU LEU A . n 
A 1 35 LEU 35 35 35 LEU LEU A . n 
A 1 36 SER 36 36 36 SER SER A . n 
A 1 37 GLY 37 37 37 GLY GLY A . n 
A 1 38 ILE 38 38 38 ILE ILE A . n 
A 1 39 VAL 39 39 39 VAL VAL A . n 
A 1 40 GLN 40 40 40 GLN GLN A . n 
A 1 41 GLN 41 41 41 GLN GLN A . n 
A 1 42 GLN 42 42 42 GLN GLN A . n 
A 1 43 ASN 43 43 43 ASN ASN A . n 
A 1 44 ASN 44 44 44 ASN ASN A . n 
A 1 45 LEU 45 45 45 LEU LEU A . n 
A 1 46 LEU 46 46 46 LEU LEU A . n 
A 1 47 ARG 47 47 47 ARG ARG A . n 
A 1 48 ALA 48 48 48 ALA ALA A . n 
A 1 49 ILE 49 49 49 ILE ILE A . n 
A 1 50 GLU 50 50 50 GLU GLU A . n 
A 1 51 ALA 51 51 51 ALA ALA A . n 
A 1 52 GLN 52 52 52 GLN GLN A . n 
A 1 53 GLN 53 53 53 GLN GLN A . n 
A 1 54 HIS 54 54 54 HIS HIS A . n 
A 1 55 LEU 55 55 55 LEU LEU A . n 
A 1 56 LEU 56 56 56 LEU LEU A . n 
A 1 57 GLN 57 57 57 GLN GLN A . n 
A 1 58 LEU 58 58 58 LEU LEU A . n 
A 1 59 THR 59 59 59 THR THR A . n 
A 1 60 VAL 60 60 60 VAL VAL A . n 
A 1 61 TRP 61 61 61 TRP TRP A . n 
A 1 62 GLY 62 62 62 GLY GLY A . n 
A 1 63 ILE 63 63 63 ILE ILE A . n 
A 1 64 LYS 64 64 64 LYS LYS A . n 
A 1 65 GLN 65 65 65 GLN GLN A . n 
A 1 66 LEU 66 66 66 LEU LEU A . n 
A 1 67 GLN 67 67 67 GLN GLN A . n 
A 1 68 ALA 68 68 68 ALA ALA A . n 
A 1 69 ARG 69 69 69 ARG ARG A . n 
A 1 70 ILE 70 70 70 ILE ILE A . n 
A 1 71 LEU 71 71 71 LEU LEU A . n 
A 1 72 ALA 72 72 72 ALA ALA A . n 
A 1 73 VAL 73 73 73 VAL VAL A . n 
A 1 74 GLU 74 74 74 GLU GLU A . n 
A 1 75 ARG 75 75 75 ARG ARG A . n 
A 1 76 TYR 76 76 76 TYR TYR A . n 
A 1 77 LEU 77 77 77 LEU LEU A . n 
A 1 78 LYS 78 78 78 LYS LYS A . n 
A 1 79 ASP 79 79 79 ASP ASP A . n 
A 1 80 GLN 80 80 80 GLN GLN A . n 
A 1 81 GLN 81 81 81 GLN GLN A . n 
A 1 82 GLU 82 82 ?  ?   ?   A . n 
A 1 83 ASP 83 83 ?  ?   ?   A . n 
# 
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 
B 2 SO4 1  101 102 SO4 SO4 A . 
C 3 GOL 1  102 103 GOL GOL A . 
D 4 HOH 1  201 27  HOH HOH A . 
D 4 HOH 2  202 4   HOH HOH A . 
D 4 HOH 3  203 16  HOH HOH A . 
D 4 HOH 4  204 39  HOH HOH A . 
D 4 HOH 5  205 1   HOH HOH A . 
D 4 HOH 6  206 40  HOH HOH A . 
D 4 HOH 7  207 41  HOH HOH A . 
D 4 HOH 8  208 38  HOH HOH A . 
D 4 HOH 9  209 29  HOH HOH A . 
D 4 HOH 10 210 45  HOH HOH A . 
D 4 HOH 11 211 22  HOH HOH A . 
D 4 HOH 12 212 10  HOH HOH A . 
D 4 HOH 13 213 3   HOH HOH A . 
D 4 HOH 14 214 19  HOH HOH A . 
D 4 HOH 15 215 7   HOH HOH A . 
D 4 HOH 16 216 8   HOH HOH A . 
D 4 HOH 17 217 15  HOH HOH A . 
D 4 HOH 18 218 5   HOH HOH A . 
D 4 HOH 19 219 21  HOH HOH A . 
D 4 HOH 20 220 6   HOH HOH A . 
D 4 HOH 21 221 2   HOH HOH A . 
D 4 HOH 22 222 25  HOH HOH A . 
D 4 HOH 23 223 35  HOH HOH A . 
D 4 HOH 24 224 9   HOH HOH A . 
D 4 HOH 25 225 24  HOH HOH A . 
D 4 HOH 26 226 26  HOH HOH A . 
D 4 HOH 27 227 20  HOH HOH A . 
D 4 HOH 28 228 12  HOH HOH A . 
D 4 HOH 29 229 14  HOH HOH A . 
D 4 HOH 30 230 31  HOH HOH A . 
D 4 HOH 31 231 30  HOH HOH A . 
D 4 HOH 32 232 13  HOH HOH A . 
D 4 HOH 33 233 34  HOH HOH A . 
D 4 HOH 34 234 11  HOH HOH A . 
D 4 HOH 35 235 18  HOH HOH A . 
# 
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 ? ? ? 1.21_5207                    1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? 0.5.653-g9f819c0c-dials-1.11 2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? 0.5.653-g9f819c0c-dials-1.11 3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? 2.8.3                        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8W32 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     45.057 
_cell.length_a_esd                 ? 
_cell.length_b                     45.057 
_cell.length_b_esd                 ? 
_cell.length_c                     219.846 
_cell.length_c_esd                 ? 
_cell.volume                       386523.294 
_cell.volume_esd                   ? 
_cell.Z_PDB                        18 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         8W32 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                155 
_symmetry.space_group_name_Hall            
;R 3 2"
;
_symmetry.space_group_name_H-M             'H 3 2' 
_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                   8W32 
_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             2.45 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          49.83 
_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' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              6.4 
_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    '0.1M lithium sulfate, 0.1M sodium citrate trihydrate at pH 6.4 and 25% PEG-1500' 
_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                         'DECTRIS PILATUS3 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2019-12-09 
_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   0.97741 
_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                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ALS BEAMLINE 5.0.1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97741 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   5.0.1 
_diffrn_source.pdbx_synchrotron_site       ALS 
# 
_reflns.B_iso_Wilson_estimate                          28.43 
_reflns.entry_id                                       8W32 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.719 
_reflns.d_resolution_low                               36.77 
_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                                     17731 
_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                           99.55 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                5 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          9.21 
_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                              0.07331 
_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                                    1.719 
_reflns_shell.d_res_low                                     1.97 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.17 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             5893 
_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                               4.9 
_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                                  0.757 
_reflns_shell.pdbx_CC_star                                  0.928 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.14 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.065 
_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                               41.72 
_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                                 8W32 
_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                            1.72 
_refine.ls_d_res_low                             36.77 
_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                     9586 
_refine.ls_number_reflns_R_free                  451 
_refine.ls_number_reflns_R_work                  9135 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.52 
_refine.ls_percent_reflns_R_free                 4.70 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2547 
_refine.ls_R_factor_R_free                       0.2902 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2529 
_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                          1.34 
_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       'GeoStd + Monomer Library + CDL v1.2' 
_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             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_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                 43.6867 
_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                            0.2575 
_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.details                          ? 
_refine_hist.d_res_high                       1.72 
_refine_hist.d_res_low                        36.77 
_refine_hist.number_atoms_solvent             35 
_refine_hist.number_atoms_total               640 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        594 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         11 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
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' ? 0.0022  ? 605 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.4414  ? 809 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0280  ? 92  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0041  ? 105 ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 18.9537 ? 242 ? f_dihedral_angle_d ? ? 
# 
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' 1.72 1.97  . . 151 2956 99.08 . . . . 0.3191 . . . . . . . . . . . 0.3794 
'X-RAY DIFFRACTION' 1.97 2.48  . . 141 3018 99.75 . . . . 0.2751 . . . . . . . . . . . 0.2755 
'X-RAY DIFFRACTION' 2.48 36.77 . . 159 3161 99.73 . . . . 0.2368 . . . . . . . . . . . 0.2825 
# 
_struct.entry_id                     8W32 
_struct.title                        
'Structure and interactions of HIV-1 gp41 CHR-NHR reverse hairpin constructs reveal molecular determinants of antiviral activity' 
_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        8W32 
_struct_keywords.text            'HIV, GP41, Virus, Viral Protein, Reverse Hairpin' 
_struct_keywords.pdbx_keywords   'VIRAL PROTEIN' 
# 
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 3 ? 
D N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    ENV_HV1H2 
_struct_ref.pdbx_db_accession          P04578 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   RQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILAVERYLKDQQ 
_struct_ref.pdbx_align_begin           542 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8W32 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 32 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 81 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P04578 
_struct_ref_seq.db_align_beg                  542 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  591 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       32 
_struct_ref_seq.pdbx_auth_seq_align_end       81 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 8W32 PRO A 1  ? UNP P04578 ? ? 'cloning artifact' 1  1  
1 8W32 THR A 2  ? UNP P04578 ? ? 'cloning artifact' 2  2  
1 8W32 SER A 3  ? UNP P04578 ? ? 'cloning artifact' 3  3  
1 8W32 LEU A 4  ? UNP P04578 ? ? 'cloning artifact' 4  4  
1 8W32 ILE A 5  ? UNP P04578 ? ? 'cloning artifact' 5  5  
1 8W32 GLU A 6  ? UNP P04578 ? ? 'cloning artifact' 6  6  
1 8W32 GLU A 7  ? UNP P04578 ? ? 'cloning artifact' 7  7  
1 8W32 LEU A 8  ? UNP P04578 ? ? 'cloning artifact' 8  8  
1 8W32 ILE A 9  ? UNP P04578 ? ? 'cloning artifact' 9  9  
1 8W32 ARG A 10 ? UNP P04578 ? ? 'cloning artifact' 10 10 
1 8W32 ARG A 11 ? UNP P04578 ? ? 'cloning artifact' 11 11 
1 8W32 SER A 12 ? UNP P04578 ? ? 'cloning artifact' 12 12 
1 8W32 GLU A 13 ? UNP P04578 ? ? 'cloning artifact' 13 13 
1 8W32 GLU A 14 ? UNP P04578 ? ? 'cloning artifact' 14 14 
1 8W32 GLN A 15 ? UNP P04578 ? ? 'cloning artifact' 15 15 
1 8W32 GLN A 16 ? UNP P04578 ? ? 'cloning artifact' 16 16 
1 8W32 ARG A 17 ? UNP P04578 ? ? 'cloning artifact' 17 17 
1 8W32 ARG A 18 ? UNP P04578 ? ? 'cloning artifact' 18 18 
1 8W32 ASN A 19 ? UNP P04578 ? ? 'cloning artifact' 19 19 
1 8W32 GLU A 20 ? UNP P04578 ? ? 'cloning artifact' 20 20 
1 8W32 GLU A 21 ? UNP P04578 ? ? 'cloning artifact' 21 21 
1 8W32 ALA A 22 ? UNP P04578 ? ? 'cloning artifact' 22 22 
1 8W32 LEU A 23 ? UNP P04578 ? ? 'cloning artifact' 23 23 
1 8W32 ARG A 24 ? UNP P04578 ? ? 'cloning artifact' 24 24 
1 8W32 ARG A 25 ? UNP P04578 ? ? 'cloning artifact' 25 25 
1 8W32 GLU A 26 ? UNP P04578 ? ? 'cloning artifact' 26 26 
1 8W32 ASP A 27 ? UNP P04578 ? ? 'cloning artifact' 27 27 
1 8W32 SER A 28 ? UNP P04578 ? ? 'cloning artifact' 28 28 
1 8W32 GLY A 29 ? UNP P04578 ? ? 'cloning artifact' 29 29 
1 8W32 GLY A 30 ? UNP P04578 ? ? 'cloning artifact' 30 30 
1 8W32 GLY A 31 ? UNP P04578 ? ? 'cloning artifact' 31 31 
1 8W32 GLU A 82 ? UNP P04578 ? ? 'expression tag'   82 32 
1 8W32 ASP A 83 ? UNP P04578 ? ? 'expression tag'   83 33 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   trimeric 
_pdbx_struct_assembly.oligomeric_count     3 
# 
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)' 8220  ? 
1 MORE         -93   ? 
1 'SSA (A^2)'  12270 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2,3 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   homology 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000  0.0000000000 0.0000000000 0.0000000000  1.0000000000  
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 2_555 -y,x-y,z  -0.5000000000 -0.8660254038 0.0000000000 0.0000000000 0.8660254038  -0.5000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
3 'crystal symmetry operation' 3_555 -x+y,-x,z -0.5000000000 0.8660254038  0.0000000000 0.0000000000 -0.8660254038 -0.5000000000 
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 SER A 3  ? ARG A 24 ? SER A 3  ARG A 24 1 ? 22 
HELX_P HELX_P2 AA2 LEU A 34 ? GLN A 81 ? LEU A 34 GLN A 81 1 ? 48 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_pdbx_entry_details.entry_id                   8W32 
_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     N 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     202 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   D 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1  x,y,z                  
2  -y,x-y,z               
3  -x+y,-x,z              
4  x-y,-y,-z              
5  -x,-x+y,-z             
6  y,x,-z                 
7  x+1/3,y+2/3,z+2/3      
8  -y+1/3,x-y+2/3,z+2/3   
9  -x+y+1/3,-x+2/3,z+2/3  
10 x-y+1/3,-y+2/3,-z+2/3  
11 -x+1/3,-x+y+2/3,-z+2/3 
12 y+1/3,x+2/3,-z+2/3     
13 x+2/3,y+1/3,z+1/3      
14 -y+2/3,x-y+1/3,z+1/3   
15 -x+y+2/3,-x+1/3,z+1/3  
16 x-y+2/3,-y+1/3,-z+1/3  
17 -x+2/3,-x+y+1/3,-z+1/3 
18 y+2/3,x+1/3,-z+1/3     
# 
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 11.2128872637  3.56814297233 81.6662923527 0.460818814404 ? -0.00093705943254 ? -0.120214445743 ? 
0.513444457446 ? -0.123378947326   ? 0.333880217503 ? 3.4159838642  ? 0.194905951123 ? 1.03388651803 ? 3.67619556958  ? 
-0.105324746238 ? 7.19319730188 ? -0.237185413473 ? -0.0733095016377 ? -0.00686782958037 ? 0.520077902584 ? -0.141723518048 ? 
-1.39385987988   ? 0.0342597375859 ? 1.22989302719    ? 0.152817022917   ? 
2 'X-RAY DIFFRACTION' ? refined -2.38045332504 4.47065376547 59.1462501856 0.204468241733 ? 0.00899328844122  ? 0.0294779099109 ? 
0.193839667005 ? -0.00190688589781 ? 0.174056785591 ? 1.16224833805 ? -0.07488992924 ? 0.74198793504 ? 0.756455812621 ? 
0.0285899328785 ? 6.57482980043 ? 0.0232123011177 ? -0.309927344191  ? 0.071156007707    ? 0.234187649112 ? 0.0430899983767 ? 
-0.0236125585706 ? -0.425137931074 ? -0.0910966405931 ? -0.0762175972711 ? 
# 
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 A 1  A 3  ? A 23 A 33 ? ? 
;chain 'A' and (resid 3 through 33 )
;
2 'X-RAY DIFFRACTION' 2 A 24 A 34 ? A 71 A 81 ? ? 
;chain 'A' and (resid 34 through 81 )
;
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       235 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   5.97 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A PRO 1  ? A PRO 1  
2  1 Y 1 A THR 2  ? A THR 2  
3  1 Y 1 A ARG 25 ? A ARG 25 
4  1 Y 1 A GLU 26 ? A GLU 26 
5  1 Y 1 A ASP 27 ? A ASP 27 
6  1 Y 1 A SER 28 ? A SER 28 
7  1 Y 1 A GLY 29 ? A GLY 29 
8  1 Y 1 A GLY 30 ? A GLY 30 
9  1 Y 1 A GLY 31 ? A GLY 31 
10 1 Y 1 A ARG 32 ? A ARG 32 
11 1 Y 1 A GLU 82 ? A GLU 82 
12 1 Y 1 A ASP 83 ? A ASP 83 
# 
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  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
GLN N    N N N 74  
GLN CA   C N S 75  
GLN C    C N N 76  
GLN O    O N N 77  
GLN CB   C N N 78  
GLN CG   C N N 79  
GLN CD   C N N 80  
GLN OE1  O N N 81  
GLN NE2  N N N 82  
GLN OXT  O N N 83  
GLN H    H N N 84  
GLN H2   H N N 85  
GLN HA   H N N 86  
GLN HB2  H N N 87  
GLN HB3  H N N 88  
GLN HG2  H N N 89  
GLN HG3  H N N 90  
GLN HE21 H N N 91  
GLN HE22 H N N 92  
GLN HXT  H N N 93  
GLU N    N N N 94  
GLU CA   C N S 95  
GLU C    C N N 96  
GLU O    O N N 97  
GLU CB   C N N 98  
GLU CG   C N N 99  
GLU CD   C N N 100 
GLU OE1  O N N 101 
GLU OE2  O N N 102 
GLU OXT  O N N 103 
GLU H    H N N 104 
GLU H2   H N N 105 
GLU HA   H N N 106 
GLU HB2  H N N 107 
GLU HB3  H N N 108 
GLU HG2  H N N 109 
GLU HG3  H N N 110 
GLU HE2  H N N 111 
GLU HXT  H N N 112 
GLY N    N N N 113 
GLY CA   C N N 114 
GLY C    C N N 115 
GLY O    O N N 116 
GLY OXT  O N N 117 
GLY H    H N N 118 
GLY H2   H N N 119 
GLY HA2  H N N 120 
GLY HA3  H N N 121 
GLY HXT  H N N 122 
GOL C1   C N N 123 
GOL O1   O N N 124 
GOL C2   C N N 125 
GOL O2   O N N 126 
GOL C3   C N N 127 
GOL O3   O N N 128 
GOL H11  H N N 129 
GOL H12  H N N 130 
GOL HO1  H N N 131 
GOL H2   H N N 132 
GOL HO2  H N N 133 
GOL H31  H N N 134 
GOL H32  H N N 135 
GOL HO3  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
PRO N    N N N 230 
PRO CA   C N S 231 
PRO C    C N N 232 
PRO O    O N N 233 
PRO CB   C N N 234 
PRO CG   C N N 235 
PRO CD   C N N 236 
PRO OXT  O N N 237 
PRO H    H N N 238 
PRO HA   H N N 239 
PRO HB2  H N N 240 
PRO HB3  H N N 241 
PRO HG2  H N N 242 
PRO HG3  H N N 243 
PRO HD2  H N N 244 
PRO HD3  H N N 245 
PRO HXT  H N N 246 
SER N    N N N 247 
SER CA   C N S 248 
SER C    C N N 249 
SER O    O N N 250 
SER CB   C N N 251 
SER OG   O N N 252 
SER OXT  O N N 253 
SER H    H N N 254 
SER H2   H N N 255 
SER HA   H N N 256 
SER HB2  H N N 257 
SER HB3  H N N 258 
SER HG   H N N 259 
SER HXT  H N N 260 
SO4 S    S N N 261 
SO4 O1   O N N 262 
SO4 O2   O N N 263 
SO4 O3   O N N 264 
SO4 O4   O N N 265 
THR N    N N N 266 
THR CA   C N S 267 
THR C    C N N 268 
THR O    O N N 269 
THR CB   C N R 270 
THR OG1  O N N 271 
THR CG2  C N N 272 
THR OXT  O N N 273 
THR H    H N N 274 
THR H2   H N N 275 
THR HA   H N N 276 
THR HB   H N N 277 
THR HG1  H N N 278 
THR HG21 H N N 279 
THR HG22 H N N 280 
THR HG23 H N N 281 
THR HXT  H N N 282 
TRP N    N N N 283 
TRP CA   C N S 284 
TRP C    C N N 285 
TRP O    O N N 286 
TRP CB   C N N 287 
TRP CG   C Y N 288 
TRP CD1  C Y N 289 
TRP CD2  C Y N 290 
TRP NE1  N Y N 291 
TRP CE2  C Y N 292 
TRP CE3  C Y N 293 
TRP CZ2  C Y N 294 
TRP CZ3  C Y N 295 
TRP CH2  C Y N 296 
TRP OXT  O N N 297 
TRP H    H N N 298 
TRP H2   H N N 299 
TRP HA   H N N 300 
TRP HB2  H N N 301 
TRP HB3  H N N 302 
TRP HD1  H N N 303 
TRP HE1  H N N 304 
TRP HE3  H N N 305 
TRP HZ2  H N N 306 
TRP HZ3  H N N 307 
TRP HH2  H N N 308 
TRP HXT  H N N 309 
TYR N    N N N 310 
TYR CA   C N S 311 
TYR C    C N N 312 
TYR O    O N N 313 
TYR CB   C N N 314 
TYR CG   C Y N 315 
TYR CD1  C Y N 316 
TYR CD2  C Y N 317 
TYR CE1  C Y N 318 
TYR CE2  C Y N 319 
TYR CZ   C Y N 320 
TYR OH   O N N 321 
TYR OXT  O N N 322 
TYR H    H N N 323 
TYR H2   H N N 324 
TYR HA   H N N 325 
TYR HB2  H N N 326 
TYR HB3  H N N 327 
TYR HD1  H N N 328 
TYR HD2  H N N 329 
TYR HE1  H N N 330 
TYR HE2  H N N 331 
TYR HH   H N N 332 
TYR HXT  H N N 333 
VAL N    N N N 334 
VAL CA   C N S 335 
VAL C    C N N 336 
VAL O    O N N 337 
VAL CB   C N N 338 
VAL CG1  C N N 339 
VAL CG2  C N N 340 
VAL OXT  O N N 341 
VAL H    H N N 342 
VAL H2   H N N 343 
VAL HA   H N N 344 
VAL HB   H N N 345 
VAL HG11 H N N 346 
VAL HG12 H N N 347 
VAL HG13 H N N 348 
VAL HG21 H N N 349 
VAL HG22 H N N 350 
VAL HG23 H N N 351 
VAL HXT  H N N 352 
# 
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  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
GLN N   CA   sing N N 70  
GLN N   H    sing N N 71  
GLN N   H2   sing N N 72  
GLN CA  C    sing N N 73  
GLN CA  CB   sing N N 74  
GLN CA  HA   sing N N 75  
GLN C   O    doub N N 76  
GLN C   OXT  sing N N 77  
GLN CB  CG   sing N N 78  
GLN CB  HB2  sing N N 79  
GLN CB  HB3  sing N N 80  
GLN CG  CD   sing N N 81  
GLN CG  HG2  sing N N 82  
GLN CG  HG3  sing N N 83  
GLN CD  OE1  doub N N 84  
GLN CD  NE2  sing N N 85  
GLN NE2 HE21 sing N N 86  
GLN NE2 HE22 sing N N 87  
GLN OXT HXT  sing N N 88  
GLU N   CA   sing N N 89  
GLU N   H    sing N N 90  
GLU N   H2   sing N N 91  
GLU CA  C    sing N N 92  
GLU CA  CB   sing N N 93  
GLU CA  HA   sing N N 94  
GLU C   O    doub N N 95  
GLU C   OXT  sing N N 96  
GLU CB  CG   sing N N 97  
GLU CB  HB2  sing N N 98  
GLU CB  HB3  sing N N 99  
GLU CG  CD   sing N N 100 
GLU CG  HG2  sing N N 101 
GLU CG  HG3  sing N N 102 
GLU CD  OE1  doub N N 103 
GLU CD  OE2  sing N N 104 
GLU OE2 HE2  sing N N 105 
GLU OXT HXT  sing N N 106 
GLY N   CA   sing N N 107 
GLY N   H    sing N N 108 
GLY N   H2   sing N N 109 
GLY CA  C    sing N N 110 
GLY CA  HA2  sing N N 111 
GLY CA  HA3  sing N N 112 
GLY C   O    doub N N 113 
GLY C   OXT  sing N N 114 
GLY OXT HXT  sing N N 115 
GOL C1  O1   sing N N 116 
GOL C1  C2   sing N N 117 
GOL C1  H11  sing N N 118 
GOL C1  H12  sing N N 119 
GOL O1  HO1  sing N N 120 
GOL C2  O2   sing N N 121 
GOL C2  C3   sing N N 122 
GOL C2  H2   sing N N 123 
GOL O2  HO2  sing N N 124 
GOL C3  O3   sing N N 125 
GOL C3  H31  sing N N 126 
GOL C3  H32  sing N N 127 
GOL O3  HO3  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
PRO N   CA   sing N N 218 
PRO N   CD   sing N N 219 
PRO N   H    sing N N 220 
PRO CA  C    sing N N 221 
PRO CA  CB   sing N N 222 
PRO CA  HA   sing N N 223 
PRO C   O    doub N N 224 
PRO C   OXT  sing N N 225 
PRO CB  CG   sing N N 226 
PRO CB  HB2  sing N N 227 
PRO CB  HB3  sing N N 228 
PRO CG  CD   sing N N 229 
PRO CG  HG2  sing N N 230 
PRO CG  HG3  sing N N 231 
PRO CD  HD2  sing N N 232 
PRO CD  HD3  sing N N 233 
PRO OXT HXT  sing N N 234 
SER N   CA   sing N N 235 
SER N   H    sing N N 236 
SER N   H2   sing N N 237 
SER CA  C    sing N N 238 
SER CA  CB   sing N N 239 
SER CA  HA   sing N N 240 
SER C   O    doub N N 241 
SER C   OXT  sing N N 242 
SER CB  OG   sing N N 243 
SER CB  HB2  sing N N 244 
SER CB  HB3  sing N N 245 
SER OG  HG   sing N N 246 
SER OXT HXT  sing N N 247 
SO4 S   O1   doub N N 248 
SO4 S   O2   doub N N 249 
SO4 S   O3   sing N N 250 
SO4 S   O4   sing N N 251 
THR N   CA   sing N N 252 
THR N   H    sing N N 253 
THR N   H2   sing N N 254 
THR CA  C    sing N N 255 
THR CA  CB   sing N N 256 
THR CA  HA   sing N N 257 
THR C   O    doub N N 258 
THR C   OXT  sing N N 259 
THR CB  OG1  sing N N 260 
THR CB  CG2  sing N N 261 
THR CB  HB   sing N N 262 
THR OG1 HG1  sing N N 263 
THR CG2 HG21 sing N N 264 
THR CG2 HG22 sing N N 265 
THR CG2 HG23 sing N N 266 
THR OXT HXT  sing N N 267 
TRP N   CA   sing N N 268 
TRP N   H    sing N N 269 
TRP N   H2   sing N N 270 
TRP CA  C    sing N N 271 
TRP CA  CB   sing N N 272 
TRP CA  HA   sing N N 273 
TRP C   O    doub N N 274 
TRP C   OXT  sing N N 275 
TRP CB  CG   sing N N 276 
TRP CB  HB2  sing N N 277 
TRP CB  HB3  sing N N 278 
TRP CG  CD1  doub Y N 279 
TRP CG  CD2  sing Y N 280 
TRP CD1 NE1  sing Y N 281 
TRP CD1 HD1  sing N N 282 
TRP CD2 CE2  doub Y N 283 
TRP CD2 CE3  sing Y N 284 
TRP NE1 CE2  sing Y N 285 
TRP NE1 HE1  sing N N 286 
TRP CE2 CZ2  sing Y N 287 
TRP CE3 CZ3  doub Y N 288 
TRP CE3 HE3  sing N N 289 
TRP CZ2 CH2  doub Y N 290 
TRP CZ2 HZ2  sing N N 291 
TRP CZ3 CH2  sing Y N 292 
TRP CZ3 HZ3  sing N N 293 
TRP CH2 HH2  sing N N 294 
TRP OXT HXT  sing N N 295 
TYR N   CA   sing N N 296 
TYR N   H    sing N N 297 
TYR N   H2   sing N N 298 
TYR CA  C    sing N N 299 
TYR CA  CB   sing N N 300 
TYR CA  HA   sing N N 301 
TYR C   O    doub N N 302 
TYR C   OXT  sing N N 303 
TYR CB  CG   sing N N 304 
TYR CB  HB2  sing N N 305 
TYR CB  HB3  sing N N 306 
TYR CG  CD1  doub Y N 307 
TYR CG  CD2  sing Y N 308 
TYR CD1 CE1  sing Y N 309 
TYR CD1 HD1  sing N N 310 
TYR CD2 CE2  doub Y N 311 
TYR CD2 HD2  sing N N 312 
TYR CE1 CZ   doub Y N 313 
TYR CE1 HE1  sing N N 314 
TYR CE2 CZ   sing Y N 315 
TYR CE2 HE2  sing N N 316 
TYR CZ  OH   sing N N 317 
TYR OH  HH   sing N N 318 
TYR OXT HXT  sing N N 319 
VAL N   CA   sing N N 320 
VAL N   H    sing N N 321 
VAL N   H2   sing N N 322 
VAL CA  C    sing N N 323 
VAL CA  CB   sing N N 324 
VAL CA  HA   sing N N 325 
VAL C   O    doub N N 326 
VAL C   OXT  sing N N 327 
VAL CB  CG1  sing N N 328 
VAL CB  CG2  sing N N 329 
VAL CB  HB   sing N N 330 
VAL CG1 HG11 sing N N 331 
VAL CG1 HG12 sing N N 332 
VAL CG1 HG13 sing N N 333 
VAL CG2 HG21 sing N N 334 
VAL CG2 HG22 sing N N 335 
VAL CG2 HG23 sing N N 336 
VAL OXT HXT  sing N N 337 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)' 'United States' 'R21 AI140904' 1 
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)'        'United States' 1R01GM126218   2 
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)'        'United States' 'P30 GM124169' 3 
# 
_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   2XRA 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'R 3 2 :H' 
_space_group.name_Hall        
;R 3 2"
;
_space_group.IT_number        155 
_space_group.crystal_system   trigonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    8W32 
_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]   0.022194 
_atom_sites.fract_transf_matrix[1][2]   0.012814 
_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]   0.025628 
_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]   0.004549 
_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 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
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   . SER A 1 3  ? 9.59804   7.95104  65.90230 1.000 50.23520 ? 3   SER A N   1 
ATOM   2   C CA  . SER A 1 3  ? 10.59457  8.86845  66.44154 1.000 47.59914 ? 3   SER A CA  1 
ATOM   3   C C   . SER A 1 3  ? 10.14099  9.37592  67.80592 1.000 52.82885 ? 3   SER A C   1 
ATOM   4   O O   . SER A 1 3  ? 10.79196  9.10633  68.81690 1.000 55.47230 ? 3   SER A O   1 
ATOM   5   C CB  . SER A 1 3  ? 10.83647  10.03346 65.48476 1.000 54.44353 ? 3   SER A CB  1 
ATOM   6   O OG  . SER A 1 3  ? 11.81340  10.91676 65.99997 1.000 56.17029 ? 3   SER A OG  1 
ATOM   7   N N   . LEU A 1 4  ? 9.02592   10.11165 67.84083 1.000 54.72521 ? 4   LEU A N   1 
ATOM   8   C CA  . LEU A 1 4  ? 8.41003   10.42400 69.12622 1.000 42.95961 ? 4   LEU A CA  1 
ATOM   9   C C   . LEU A 1 4  ? 7.95992   9.14782  69.81929 1.000 45.45388 ? 4   LEU A C   1 
ATOM   10  O O   . LEU A 1 4  ? 8.12149   8.99544  71.03647 1.000 43.46718 ? 4   LEU A O   1 
ATOM   11  C CB  . LEU A 1 4  ? 7.22784   11.37470 68.94711 1.000 39.70958 ? 4   LEU A CB  1 
ATOM   12  C CG  . LEU A 1 4  ? 6.46183   11.57358 70.25942 1.000 44.88476 ? 4   LEU A CG  1 
ATOM   13  C CD1 . LEU A 1 4  ? 7.30184   12.35663 71.25670 1.000 48.81383 ? 4   LEU A CD1 1 
ATOM   14  C CD2 . LEU A 1 4  ? 5.11845   12.24049 70.05114 1.000 48.83493 ? 4   LEU A CD2 1 
ATOM   15  N N   . ILE A 1 5  ? 7.38159   8.21816  69.05251 1.000 41.47647 ? 5   ILE A N   1 
ATOM   16  C CA  . ILE A 1 5  ? 7.06386   6.89605  69.58577 1.000 46.61829 ? 5   ILE A CA  1 
ATOM   17  C C   . ILE A 1 5  ? 8.31416   6.26067  70.17532 1.000 49.52821 ? 5   ILE A C   1 
ATOM   18  O O   . ILE A 1 5  ? 8.29351   5.70716  71.27987 1.000 42.85025 ? 5   ILE A O   1 
ATOM   19  C CB  . ILE A 1 5  ? 6.45149   6.00218  68.49344 1.000 42.31668 ? 5   ILE A CB  1 
ATOM   20  C CG1 . ILE A 1 5  ? 5.25736   6.69184  67.83289 1.000 38.05794 ? 5   ILE A CG1 1 
ATOM   21  C CG2 . ILE A 1 5  ? 6.05134   4.65832  69.08225 1.000 45.78933 ? 5   ILE A CG2 1 
ATOM   22  C CD1 . ILE A 1 5  ? 4.65588   5.89823  66.69545 1.000 34.77472 ? 5   ILE A CD1 1 
ATOM   23  N N   . GLU A 1 6  ? 9.42485   6.33678  69.43924 1.000 46.04595 ? 6   GLU A N   1 
ATOM   24  C CA  . GLU A 1 6  ? 10.68600  5.82083  69.95633 1.000 46.94227 ? 6   GLU A CA  1 
ATOM   25  C C   . GLU A 1 6  ? 11.11628  6.57992  71.20405 1.000 49.74415 ? 6   GLU A C   1 
ATOM   26  O O   . GLU A 1 6  ? 11.69002  5.99294  72.12741 1.000 44.71712 ? 6   GLU A O   1 
ATOM   27  C CB  . GLU A 1 6  ? 11.76430  5.89292  68.87546 1.000 50.56570 ? 6   GLU A CB  1 
ATOM   28  C CG  . GLU A 1 6  ? 11.46541  5.04935  67.64950 1.000 56.34380 ? 6   GLU A CG  1 
ATOM   29  C CD  . GLU A 1 6  ? 12.59621  5.06498  66.64126 1.000 68.35296 ? 6   GLU A CD  1 
ATOM   30  O OE1 . GLU A 1 6  ? 13.57933  5.80127  66.86549 1.000 69.05347 ? 6   GLU A OE1 1 
ATOM   31  O OE2 . GLU A 1 6  ? 12.50273  4.33880  65.62832 1.000 72.94068 ? 6   GLU A OE2 1 
ATOM   32  N N   . GLU A 1 7  ? 10.83487  7.88387  71.25777 1.000 45.91561 ? 7   GLU A N   1 
ATOM   33  C CA  . GLU A 1 7  ? 11.16856  8.65936  72.44743 1.000 43.87549 ? 7   GLU A CA  1 
ATOM   34  C C   . GLU A 1 7  ? 10.25795  8.29621  73.61417 1.000 41.65692 ? 7   GLU A C   1 
ATOM   35  O O   . GLU A 1 7  ? 10.72149  8.17069  74.75331 1.000 44.19663 ? 7   GLU A O   1 
ATOM   36  C CB  . GLU A 1 7  ? 11.08659  10.15392 72.13512 1.000 47.71106 ? 7   GLU A CB  1 
ATOM   37  C CG  . GLU A 1 7  ? 11.31660  11.06954 73.33345 1.000 50.95411 ? 7   GLU A CG  1 
ATOM   38  C CD  . GLU A 1 7  ? 12.74837  11.04573 73.83698 1.000 47.99885 ? 7   GLU A CD  1 
ATOM   39  O OE1 . GLU A 1 7  ? 13.67348  10.87127 73.01494 1.000 59.87178 ? 7   GLU A OE1 1 
ATOM   40  O OE2 . GLU A 1 7  ? 12.94719  11.20303 75.06014 1.000 60.11877 ? 7   GLU A OE2 1 
ATOM   41  N N   . LEU A 1 8  ? 8.95936   8.12273  73.35185 1.000 39.21355 ? 8   LEU A N   1 
ATOM   42  C CA  . LEU A 1 8  ? 8.04210   7.71013  74.40919 1.000 42.26609 ? 8   LEU A CA  1 
ATOM   43  C C   . LEU A 1 8  ? 8.34126   6.29868  74.89264 1.000 37.99730 ? 8   LEU A C   1 
ATOM   44  O O   . LEU A 1 8  ? 8.13848   5.99398  76.07316 1.000 44.02006 ? 8   LEU A O   1 
ATOM   45  C CB  . LEU A 1 8  ? 6.59664   7.80339  73.92245 1.000 40.19800 ? 8   LEU A CB  1 
ATOM   46  C CG  . LEU A 1 8  ? 6.03707   9.21089  73.69768 1.000 40.47072 ? 8   LEU A CG  1 
ATOM   47  C CD1 . LEU A 1 8  ? 4.68681   9.13748  72.99863 1.000 38.61678 ? 8   LEU A CD1 1 
ATOM   48  C CD2 . LEU A 1 8  ? 5.92126   9.96710  75.00830 1.000 40.54399 ? 8   LEU A CD2 1 
ATOM   49  N N   . ILE A 1 9  ? 8.82224   5.42859  74.00436 1.000 41.31001 ? 9   ILE A N   1 
ATOM   50  C CA  . ILE A 1 9  ? 9.15873   4.06998  74.41359 1.000 37.54574 ? 9   ILE A CA  1 
ATOM   51  C C   . ILE A 1 9  ? 10.37351  4.07494  75.33226 1.000 39.52209 ? 9   ILE A C   1 
ATOM   52  O O   . ILE A 1 9  ? 10.40803  3.36226  76.34325 1.000 46.18850 ? 9   ILE A O   1 
ATOM   53  C CB  . ILE A 1 9  ? 9.37783   3.18251  73.17529 1.000 39.79814 ? 9   ILE A CB  1 
ATOM   54  C CG1 . ILE A 1 9  ? 8.03191   2.82813  72.53811 1.000 38.45340 ? 9   ILE A CG1 1 
ATOM   55  C CG2 . ILE A 1 9  ? 10.14537  1.92741  73.54263 1.000 35.59943 ? 9   ILE A CG2 1 
ATOM   56  C CD1 . ILE A 1 9  ? 8.15003   2.09076  71.21881 1.000 35.76426 ? 9   ILE A CD1 1 
ATOM   57  N N   . ARG A 1 10 ? 11.38313  4.88526  75.00635 1.000 38.04008 ? 10  ARG A N   1 
ATOM   58  C CA  . ARG A 1 10 ? 12.57371  4.95007  75.84752 1.000 40.74465 ? 10  ARG A CA  1 
ATOM   59  C C   . ARG A 1 10 ? 12.25352  5.53835  77.21580 1.000 43.58828 ? 10  ARG A C   1 
ATOM   60  O O   . ARG A 1 10 ? 12.75613  5.05681  78.23806 1.000 42.00458 ? 10  ARG A O   1 
ATOM   61  C CB  . ARG A 1 10 ? 13.66647  5.75729  75.14887 1.000 43.01364 ? 10  ARG A CB  1 
ATOM   62  C CG  . ARG A 1 10 ? 14.16995  5.09372  73.88071 1.000 55.58035 ? 10  ARG A CG  1 
ATOM   63  C CD  . ARG A 1 10 ? 15.37842  5.80051  73.30447 1.000 54.14063 ? 10  ARG A CD  1 
ATOM   64  N NE  . ARG A 1 10 ? 15.90757  5.08258  72.15118 1.000 70.72415 ? 10  ARG A NE  1 
ATOM   65  C CZ  . ARG A 1 10 ? 17.00755  5.42365  71.49470 1.000 73.50638 ? 10  ARG A CZ  1 
ATOM   66  N NH1 . ARG A 1 10 ? 17.72605  6.47616  71.85074 1.000 72.94302 ? 10  ARG A NH1 1 
ATOM   67  N NH2 . ARG A 1 10 ? 17.39747  4.68881  70.45623 1.000 76.85583 ? 10  ARG A NH2 1 
ATOM   68  N N   . ARG A 1 11 ? 11.41662  6.57907  77.25651 1.000 43.19729 ? 11  ARG A N   1 
ATOM   69  C CA  . ARG A 1 11 ? 10.97716  7.12096  78.53905 1.000 38.62091 ? 11  ARG A CA  1 
ATOM   70  C C   . ARG A 1 11 ? 10.22011  6.07592  79.34838 1.000 41.13540 ? 11  ARG A C   1 
ATOM   71  O O   . ARG A 1 11 ? 10.38873  5.98511  80.56981 1.000 48.01974 ? 11  ARG A O   1 
ATOM   72  C CB  . ARG A 1 11 ? 10.11429  8.36452  78.32029 1.000 36.18167 ? 11  ARG A CB  1 
ATOM   73  C CG  . ARG A 1 11 ? 10.92099  9.63378  78.12155 1.000 50.31140 ? 11  ARG A CG  1 
ATOM   74  C CD  . ARG A 1 11 ? 10.10001  10.74874 77.49656 1.000 54.10293 ? 11  ARG A CD  1 
ATOM   75  N NE  . ARG A 1 11 ? 10.96229  11.83626 77.04988 1.000 54.57540 ? 11  ARG A NE  1 
ATOM   76  C CZ  . ARG A 1 11 ? 11.33230  12.86050 77.80643 1.000 53.21880 ? 11  ARG A CZ  1 
ATOM   77  N NH1 . ARG A 1 11 ? 10.89414  12.99671 79.04803 1.000 55.39306 ? 11  ARG A NH1 1 
ATOM   78  N NH2 . ARG A 1 11 ? 12.16642  13.76844 77.30605 1.000 64.37709 ? 11  ARG A NH2 1 
ATOM   79  N N   . SER A 1 12 ? 9.38241   5.27498  78.68556 1.000 41.94887 ? 12  SER A N   1 
ATOM   80  C CA  . SER A 1 12 ? 8.69677   4.19266  79.38318 1.000 46.52795 ? 12  SER A CA  1 
ATOM   81  C C   . SER A 1 12 ? 9.68380   3.13113  79.84763 1.000 46.34109 ? 12  SER A C   1 
ATOM   82  O O   . SER A 1 12 ? 9.53590   2.56963  80.93920 1.000 44.22339 ? 12  SER A O   1 
ATOM   83  C CB  . SER A 1 12 ? 7.63209   3.57404  78.47870 1.000 39.47004 ? 12  SER A CB  1 
ATOM   84  O OG  . SER A 1 12 ? 6.73826   4.55834  77.98911 1.000 35.04891 ? 12  SER A OG  1 
ATOM   85  N N   . GLU A 1 13 ? 10.69671  2.84027  79.02816 1.000 32.21766 ? 13  GLU A N   1 
ATOM   86  C CA  . GLU A 1 13 ? 11.72426  1.88739  79.43099 1.000 39.73625 ? 13  GLU A CA  1 
ATOM   87  C C   . GLU A 1 13 ? 12.49570  2.39026  80.64535 1.000 48.23812 ? 13  GLU A C   1 
ATOM   88  O O   . GLU A 1 13 ? 12.88482  1.59946  81.51251 1.000 45.01978 ? 13  GLU A O   1 
ATOM   89  C CB  . GLU A 1 13 ? 12.66756  1.61405  78.25927 1.000 44.64427 ? 13  GLU A CB  1 
ATOM   90  C CG  . GLU A 1 13 ? 12.13376  0.60698  77.24824 1.000 47.75287 ? 13  GLU A CG  1 
ATOM   91  C CD  . GLU A 1 13 ? 12.21574  -0.82066 77.75725 1.000 60.94086 ? 13  GLU A CD  1 
ATOM   92  O OE1 . GLU A 1 13 ? 11.34632  -1.64183 77.39699 1.000 52.83862 ? 13  GLU A OE1 1 
ATOM   93  O OE2 . GLU A 1 13 ? 13.15146  -1.12168 78.52803 1.000 60.20513 ? 13  GLU A OE2 1 
ATOM   94  N N   . GLU A 1 14 ? 12.71814  3.70503  80.73204 1.000 42.72689 ? 14  GLU A N   1 
ATOM   95  C CA  . GLU A 1 14 ? 13.41832  4.25652  81.88854 1.000 42.96991 ? 14  GLU A CA  1 
ATOM   96  C C   . GLU A 1 14 ? 12.57000  4.14862  83.14836 1.000 47.58757 ? 14  GLU A C   1 
ATOM   97  O O   . GLU A 1 14 ? 13.04686  3.67258  84.18524 1.000 52.03907 ? 14  GLU A O   1 
ATOM   98  C CB  . GLU A 1 14 ? 13.80775  5.71266  81.62955 1.000 48.98496 ? 14  GLU A CB  1 
ATOM   99  C CG  . GLU A 1 14 ? 14.92598  5.89555  80.61607 1.000 63.39359 ? 14  GLU A CG  1 
ATOM   100 C CD  . GLU A 1 14 ? 15.16687  7.35535  80.26926 1.000 76.82644 ? 14  GLU A CD  1 
ATOM   101 O OE1 . GLU A 1 14 ? 15.66365  8.10661  81.13647 1.000 77.93823 ? 14  GLU A OE1 1 
ATOM   102 O OE2 . GLU A 1 14 ? 14.84913  7.75376  79.12826 1.000 72.69630 ? 14  GLU A OE2 1 
ATOM   103 N N   . GLN A 1 15 ? 11.30908  4.58461  83.07512 1.000 44.75706 ? 15  GLN A N   1 
ATOM   104 C CA  . GLN A 1 15 ? 10.41467  4.49401  84.22443 1.000 48.05540 ? 15  GLN A CA  1 
ATOM   105 C C   . GLN A 1 15 ? 10.17981  3.04863  84.64403 1.000 43.81430 ? 15  GLN A C   1 
ATOM   106 O O   . GLN A 1 15 ? 9.97951   2.77547  85.83344 1.000 45.58421 ? 15  GLN A O   1 
ATOM   107 C CB  . GLN A 1 15 ? 9.08412   5.17527  83.90258 1.000 37.08360 ? 15  GLN A CB  1 
ATOM   108 C CG  . GLN A 1 15 ? 8.16398   5.36562  85.09696 1.000 50.37439 ? 15  GLN A CG  1 
ATOM   109 C CD  . GLN A 1 15 ? 8.73070   6.32594  86.12315 1.000 47.91006 ? 15  GLN A CD  1 
ATOM   110 O OE1 . GLN A 1 15 ? 8.84214   7.52631  85.87203 1.000 44.06980 ? 15  GLN A OE1 1 
ATOM   111 N NE2 . GLN A 1 15 ? 9.09326   5.80101  87.28866 1.000 46.48375 ? 15  GLN A NE2 1 
ATOM   112 N N   . GLN A 1 16 ? 10.19427  2.11395  83.69085 1.000 41.91088 ? 16  GLN A N   1 
ATOM   113 C CA  . GLN A 1 16 ? 10.03752  0.70585  84.04060 1.000 41.53182 ? 16  GLN A CA  1 
ATOM   114 C C   . GLN A 1 16 ? 11.18499  0.23798  84.92536 1.000 43.27609 ? 16  GLN A C   1 
ATOM   115 O O   . GLN A 1 16 ? 10.97227  -0.45936 85.92424 1.000 46.06643 ? 16  GLN A O   1 
ATOM   116 C CB  . GLN A 1 16 ? 9.94806   -0.14895 82.77538 1.000 39.07478 ? 16  GLN A CB  1 
ATOM   117 C CG  . GLN A 1 16 ? 9.69078   -1.62564 83.04509 1.000 42.65171 ? 16  GLN A CG  1 
ATOM   118 C CD  . GLN A 1 16 ? 8.35384   -1.87724 83.72097 1.000 38.46170 ? 16  GLN A CD  1 
ATOM   119 O OE1 . GLN A 1 16 ? 7.40673   -1.10709 83.55964 1.000 40.66860 ? 16  GLN A OE1 1 
ATOM   120 N NE2 . GLN A 1 16 ? 8.27290   -2.96028 84.48573 1.000 44.00254 ? 16  GLN A NE2 1 
ATOM   121 N N   . ARG A 1 17 ? 12.41380  0.62745  84.57762 1.000 46.00581 ? 17  ARG A N   1 
ATOM   122 C CA  . ARG A 1 17 ? 13.56633  0.25642  85.39103 1.000 44.32013 ? 17  ARG A CA  1 
ATOM   123 C C   . ARG A 1 17 ? 13.49457  0.88179  86.77828 1.000 50.12170 ? 17  ARG A C   1 
ATOM   124 O O   . ARG A 1 17 ? 13.86428  0.24483  87.77152 1.000 54.22597 ? 17  ARG A O   1 
ATOM   125 C CB  . ARG A 1 17 ? 14.85953  0.66530  84.68899 1.000 51.25059 ? 17  ARG A CB  1 
ATOM   126 C CG  . ARG A 1 17 ? 15.26470  -0.25206 83.55471 1.000 59.11482 ? 17  ARG A CG  1 
ATOM   127 C CD  . ARG A 1 17 ? 16.64200  0.11472  83.03848 1.000 64.32423 ? 17  ARG A CD  1 
ATOM   128 N NE  . ARG A 1 17 ? 16.64439  1.40984  82.36969 1.000 66.46437 ? 17  ARG A NE  1 
ATOM   129 C CZ  . ARG A 1 17 ? 16.54966  1.57039  81.05718 1.000 72.49397 ? 17  ARG A CZ  1 
ATOM   130 N NH1 . ARG A 1 17 ? 16.45549  0.53329  80.24021 1.000 65.33265 ? 17  ARG A NH1 1 
ATOM   131 N NH2 . ARG A 1 17 ? 16.55159  2.80132  80.55165 1.000 69.37014 ? 17  ARG A NH2 1 
ATOM   132 N N   . ARG A 1 18 ? 13.03135  2.13192  86.86821 1.000 49.70049 ? 18  ARG A N   1 
ATOM   133 C CA  . ARG A 1 18 ? 12.92378  2.77779  88.17275 1.000 52.73320 ? 18  ARG A CA  1 
ATOM   134 C C   . ARG A 1 18 ? 11.89355  2.07649  89.04549 1.000 51.48092 ? 18  ARG A C   1 
ATOM   135 O O   . ARG A 1 18 ? 12.11700  1.87908  90.24527 1.000 53.22262 ? 18  ARG A O   1 
ATOM   136 C CB  . ARG A 1 18 ? 12.56160  4.25509  88.01370 1.000 52.79658 ? 18  ARG A CB  1 
ATOM   137 C CG  . ARG A 1 18 ? 13.40852  5.03810  87.01692 1.000 59.43306 ? 18  ARG A CG  1 
ATOM   138 C CD  . ARG A 1 18 ? 14.84663  5.25978  87.47950 1.000 78.38855 ? 18  ARG A CD  1 
ATOM   139 N NE  . ARG A 1 18 ? 15.71251  4.12107  87.19405 1.000 74.58535 ? 18  ARG A NE  1 
ATOM   140 C CZ  . ARG A 1 18 ? 16.37282  3.43049  88.11365 1.000 77.35598 ? 18  ARG A CZ  1 
ATOM   141 N NH1 . ARG A 1 18 ? 16.32449  3.76254  89.39407 1.000 72.64245 ? 18  ARG A NH1 1 
ATOM   142 N NH2 . ARG A 1 18 ? 17.10414  2.38390  87.73833 1.000 72.79281 ? 18  ARG A NH2 1 
ATOM   143 N N   . ASN A 1 19 ? 10.75758  1.69040  88.45983 1.000 48.29130 ? 19  ASN A N   1 
ATOM   144 C CA  . ASN A 1 19 ? 9.72702   1.00736  89.23349 1.000 47.77928 ? 19  ASN A CA  1 
ATOM   145 C C   . ASN A 1 19 ? 10.19454  -0.37003 89.68454 1.000 43.48538 ? 19  ASN A C   1 
ATOM   146 O O   . ASN A 1 19 ? 9.92983   -0.77769 90.82099 1.000 49.96398 ? 19  ASN A O   1 
ATOM   147 C CB  . ASN A 1 19 ? 8.43973   0.89954  88.41768 1.000 42.78635 ? 19  ASN A CB  1 
ATOM   148 C CG  . ASN A 1 19 ? 7.82753   2.25115  88.11718 1.000 38.49361 ? 19  ASN A CG  1 
ATOM   149 O OD1 . ASN A 1 19 ? 8.22565   3.26566  88.68775 1.000 42.02049 ? 19  ASN A OD1 1 
ATOM   150 N ND2 . ASN A 1 19 ? 6.84707   2.27092  87.22266 1.000 40.47273 ? 19  ASN A ND2 1 
ATOM   151 N N   . GLU A 1 20 ? 10.89106  -1.10084 88.81115 1.000 46.22310 ? 20  GLU A N   1 
ATOM   152 C CA  . GLU A 1 20 ? 11.39365  -2.41493 89.19344 1.000 45.36814 ? 20  GLU A CA  1 
ATOM   153 C C   . GLU A 1 20 ? 12.48744  -2.29811 90.24790 1.000 53.17921 ? 20  GLU A C   1 
ATOM   154 O O   . GLU A 1 20 ? 12.60226  -3.15883 91.12772 1.000 58.95307 ? 20  GLU A O   1 
ATOM   155 C CB  . GLU A 1 20 ? 11.89583  -3.16504 87.95825 1.000 45.77901 ? 20  GLU A CB  1 
ATOM   156 C CG  . GLU A 1 20 ? 10.78650  -3.68065 87.04636 1.000 42.70150 ? 20  GLU A CG  1 
ATOM   157 C CD  . GLU A 1 20 ? 11.28456  -4.03724 85.65478 1.000 42.97274 ? 20  GLU A CD  1 
ATOM   158 O OE1 . GLU A 1 20 ? 12.50878  -3.95934 85.42301 1.000 45.95635 ? 20  GLU A OE1 1 
ATOM   159 O OE2 . GLU A 1 20 ? 10.45261  -4.38806 84.78954 1.000 45.50656 ? 20  GLU A OE2 1 
ATOM   160 N N   . GLU A 1 21 ? 13.29424  -1.23409 90.18802 1.000 50.92612 ? 21  GLU A N   1 
ATOM   161 C CA  . GLU A 1 21 ? 14.29577  -1.03186 91.22943 1.000 54.55660 ? 21  GLU A CA  1 
ATOM   162 C C   . GLU A 1 21 ? 13.66027  -0.50262 92.50963 1.000 58.53567 ? 21  GLU A C   1 
ATOM   163 O O   . GLU A 1 21 ? 14.08445  -0.86720 93.61031 1.000 59.67897 ? 21  GLU A O   1 
ATOM   164 C CB  . GLU A 1 21 ? 15.39778  -0.08740 90.74798 1.000 56.31956 ? 21  GLU A CB  1 
ATOM   165 C CG  . GLU A 1 21 ? 16.77535  -0.48755 91.26524 1.000 66.28087 ? 21  GLU A CG  1 
ATOM   166 C CD  . GLU A 1 21 ? 17.73364  0.67884  91.41778 1.000 64.95770 ? 21  GLU A CD  1 
ATOM   167 O OE1 . GLU A 1 21 ? 17.53901  1.71289  90.74583 1.000 72.66680 ? 21  GLU A OE1 1 
ATOM   168 O OE2 . GLU A 1 21 ? 18.68394  0.55783  92.22064 1.000 74.96757 ? 21  GLU A OE2 1 
ATOM   169 N N   . ALA A 1 22 ? 12.64556  0.36031  92.39031 1.000 62.61119 ? 22  ALA A N   1 
ATOM   170 C CA  . ALA A 1 22 ? 11.96095  0.85932  93.58037 1.000 51.37739 ? 22  ALA A CA  1 
ATOM   171 C C   . ALA A 1 22 ? 11.11749  -0.22600 94.23367 1.000 55.34609 ? 22  ALA A C   1 
ATOM   172 O O   . ALA A 1 22 ? 11.01798  -0.27558 95.46473 1.000 60.63993 ? 22  ALA A O   1 
ATOM   173 C CB  . ALA A 1 22 ? 11.09322  2.06685  93.22972 1.000 51.70136 ? 22  ALA A CB  1 
ATOM   174 N N   . LEU A 1 23 ? 10.49634  -1.09196 93.42925 1.000 51.56221 ? 23  LEU A N   1 
ATOM   175 C CA  . LEU A 1 23 ? 9.90410   -2.30936 93.96931 1.000 51.24496 ? 23  LEU A CA  1 
ATOM   176 C C   . LEU A 1 23 ? 10.93448  -3.11767 94.74707 1.000 63.21756 ? 23  LEU A C   1 
ATOM   177 O O   . LEU A 1 23 ? 10.59660  -3.76686 95.74248 1.000 60.44879 ? 23  LEU A O   1 
ATOM   178 C CB  . LEU A 1 23 ? 9.31176   -3.14396 92.83391 1.000 52.41920 ? 23  LEU A CB  1 
ATOM   179 C CG  . LEU A 1 23 ? 8.61964   -4.44264 93.23138 1.000 55.30526 ? 23  LEU A CG  1 
ATOM   180 C CD1 . LEU A 1 23 ? 7.50152   -4.15063 94.21667 1.000 58.25818 ? 23  LEU A CD1 1 
ATOM   181 C CD2 . LEU A 1 23 ? 8.09017   -5.14482 91.99834 1.000 60.55919 ? 23  LEU A CD2 1 
ATOM   182 N N   . ARG A 1 24 ? 12.19223  -3.07770 94.31656 1.000 67.29581 ? 24  ARG A N   1 
ATOM   183 C CA  . ARG A 1 24 ? 13.29848  -3.71472 95.02725 1.000 72.91131 ? 24  ARG A CA  1 
ATOM   184 C C   . ARG A 1 24 ? 14.10357  -2.69952 95.83956 1.000 67.09128 ? 24  ARG A C   1 
ATOM   185 O O   . ARG A 1 24 ? 14.00264  -2.64700 97.06269 1.000 75.86711 ? 24  ARG A O   1 
ATOM   186 C CB  . ARG A 1 24 ? 14.21262  -4.43546 94.03710 1.000 67.98187 ? 24  ARG A CB  1 
ATOM   187 C CG  . ARG A 1 24 ? 13.55035  -5.62071 93.37688 1.000 66.12965 ? 24  ARG A CG  1 
ATOM   188 C CD  . ARG A 1 24 ? 14.24834  -6.01581 92.09695 1.000 65.97835 ? 24  ARG A CD  1 
ATOM   189 N NE  . ARG A 1 24 ? 13.55063  -7.11104 91.43565 1.000 60.91967 ? 24  ARG A NE  1 
ATOM   190 C CZ  . ARG A 1 24 ? 12.50989  -6.95373 90.62935 1.000 58.95873 ? 24  ARG A CZ  1 
ATOM   191 N NH1 . ARG A 1 24 ? 12.00582  -5.75721 90.37736 1.000 55.05642 ? 24  ARG A NH1 1 
ATOM   192 N NH2 . ARG A 1 24 ? 11.96232  -8.02318 90.05976 1.000 66.05201 ? 24  ARG A NH2 1 
ATOM   193 N N   . GLN A 1 33 ? 5.81293   6.07579  96.97854 1.000 69.88415 ? 33  GLN A N   1 
ATOM   194 C CA  . GLN A 1 33 ? 6.71604   6.52768  95.92666 1.000 68.08967 ? 33  GLN A CA  1 
ATOM   195 C C   . GLN A 1 33 ? 6.58687   5.64067  94.69171 1.000 65.10240 ? 33  GLN A C   1 
ATOM   196 O O   . GLN A 1 33 ? 6.61531   6.12440  93.55905 1.000 64.15837 ? 33  GLN A O   1 
ATOM   197 C CB  . GLN A 1 33 ? 8.16209   6.53494  96.42688 1.000 80.25538 ? 33  GLN A CB  1 
ATOM   198 C CG  . GLN A 1 33 ? 9.16601   7.07227  95.41999 1.000 80.04772 ? 33  GLN A CG  1 
ATOM   199 C CD  . GLN A 1 33 ? 9.00280   8.55922  95.16718 1.000 91.76331 ? 33  GLN A CD  1 
ATOM   200 O OE1 . GLN A 1 33 ? 8.97254   9.36073  96.10193 1.000 89.30785 ? 33  GLN A OE1 1 
ATOM   201 N NE2 . GLN A 1 33 ? 8.89348   8.93499  93.89764 1.000 85.51726 ? 33  GLN A NE2 1 
ATOM   202 N N   . LEU A 1 34 ? 6.44494   4.33365  94.92567 1.000 57.85800 ? 34  LEU A N   1 
ATOM   203 C CA  . LEU A 1 34 ? 6.26705   3.39436  93.82331 1.000 54.87819 ? 34  LEU A CA  1 
ATOM   204 C C   . LEU A 1 34 ? 4.92245   3.59715  93.13480 1.000 49.20853 ? 34  LEU A C   1 
ATOM   205 O O   . LEU A 1 34 ? 4.82016   3.45761  91.91083 1.000 47.35845 ? 34  LEU A O   1 
ATOM   206 C CB  . LEU A 1 34 ? 6.40171   1.95888  94.33522 1.000 51.27436 ? 34  LEU A CB  1 
ATOM   207 C CG  . LEU A 1 34 ? 6.15464   0.81552  93.34524 1.000 58.82725 ? 34  LEU A CG  1 
ATOM   208 C CD1 . LEU A 1 34 ? 7.13349   0.87307  92.18286 1.000 53.20226 ? 34  LEU A CD1 1 
ATOM   209 C CD2 . LEU A 1 34 ? 6.23008   -0.53815 94.04361 1.000 53.29975 ? 34  LEU A CD2 1 
ATOM   210 N N   . LEU A 1 35 ? 3.88028   3.93063  93.90096 1.000 51.69997 ? 35  LEU A N   1 
ATOM   211 C CA  . LEU A 1 35 ? 2.56235   4.12891  93.30395 1.000 49.06219 ? 35  LEU A CA  1 
ATOM   212 C C   . LEU A 1 35 ? 2.56797   5.29468  92.32222 1.000 54.03334 ? 35  LEU A C   1 
ATOM   213 O O   . LEU A 1 35 ? 1.96763   5.20917  91.24471 1.000 46.50316 ? 35  LEU A O   1 
ATOM   214 C CB  . LEU A 1 35 ? 1.51341   4.34598  94.39618 1.000 57.92248 ? 35  LEU A CB  1 
ATOM   215 C CG  . LEU A 1 35 ? 0.99807   3.08607  95.10181 1.000 51.44536 ? 35  LEU A CG  1 
ATOM   216 C CD1 . LEU A 1 35 ? -0.07680  3.43268  96.12081 1.000 64.26744 ? 35  LEU A CD1 1 
ATOM   217 C CD2 . LEU A 1 35 ? 0.47058   2.09275  94.07839 1.000 61.35221 ? 35  LEU A CD2 1 
ATOM   218 N N   . SER A 1 36 ? 3.24944   6.38868  92.67142 1.000 49.46642 ? 36  SER A N   1 
ATOM   219 C CA  . SER A 1 36 ? 3.35310   7.52413  91.75791 1.000 55.99638 ? 36  SER A CA  1 
ATOM   220 C C   . SER A 1 36 ? 4.05488   7.12888  90.46364 1.000 52.67342 ? 36  SER A C   1 
ATOM   221 O O   . SER A 1 36 ? 3.59589   7.46555  89.36562 1.000 48.74234 ? 36  SER A O   1 
ATOM   222 C CB  . SER A 1 36 ? 4.09719   8.67518  92.43164 1.000 61.58262 ? 36  SER A CB  1 
ATOM   223 O OG  . SER A 1 36 ? 5.49563   8.48046  92.33709 1.000 73.00924 ? 36  SER A OG  1 
ATOM   224 N N   . GLY A 1 37 ? 5.18083   6.42047  90.57456 1.000 47.14740 ? 37  GLY A N   1 
ATOM   225 C CA  . GLY A 1 37 ? 5.88322   5.97765  89.38152 1.000 49.62158 ? 37  GLY A CA  1 
ATOM   226 C C   . GLY A 1 37 ? 5.05567   5.02497  88.53768 1.000 45.04188 ? 37  GLY A C   1 
ATOM   227 O O   . GLY A 1 37 ? 5.12888   5.04758  87.30764 1.000 41.95520 ? 37  GLY A O   1 
ATOM   228 N N   . ILE A 1 38 ? 4.26083   4.17598  89.19127 1.000 43.64847 ? 38  ILE A N   1 
ATOM   229 C CA  . ILE A 1 38 ? 3.37041   3.27995  88.45733 1.000 42.06670 ? 38  ILE A CA  1 
ATOM   230 C C   . ILE A 1 38 ? 2.32626   4.08389  87.69415 1.000 41.94075 ? 38  ILE A C   1 
ATOM   231 O O   . ILE A 1 38 ? 2.01072   3.78332  86.53559 1.000 45.71474 ? 38  ILE A O   1 
ATOM   232 C CB  . ILE A 1 38 ? 2.72436   2.26753  89.42288 1.000 42.98971 ? 38  ILE A CB  1 
ATOM   233 C CG1 . ILE A 1 38 ? 3.73673   1.19287  89.82309 1.000 43.65653 ? 38  ILE A CG1 1 
ATOM   234 C CG2 . ILE A 1 38 ? 1.48054   1.64028  88.80465 1.000 44.23848 ? 38  ILE A CG2 1 
ATOM   235 C CD1 . ILE A 1 38 ? 3.28244   0.33496  90.98982 1.000 49.04399 ? 38  ILE A CD1 1 
ATOM   236 N N   . VAL A 1 39 ? 1.78647   5.12906  88.32252 1.000 42.38068 ? 39  VAL A N   1 
ATOM   237 C CA  . VAL A 1 39 ? 0.80739   5.97629  87.64984 1.000 41.94204 ? 39  VAL A CA  1 
ATOM   238 C C   . VAL A 1 39 ? 1.45899   6.73760  86.50347 1.000 40.96527 ? 39  VAL A C   1 
ATOM   239 O O   . VAL A 1 39 ? 0.90286   6.82511  85.40160 1.000 41.37881 ? 39  VAL A O   1 
ATOM   240 C CB  . VAL A 1 39 ? 0.14715   6.92958  88.66102 1.000 44.01978 ? 39  VAL A CB  1 
ATOM   241 C CG1 . VAL A 1 39 ? -0.74005  7.93032  87.94567 1.000 46.81524 ? 39  VAL A CG1 1 
ATOM   242 C CG2 . VAL A 1 39 ? -0.65935  6.13930  89.68646 1.000 45.23872 ? 39  VAL A CG2 1 
ATOM   243 N N   . GLN A 1 40 ? 2.65233   7.28912  86.74028 1.000 41.85434 ? 40  GLN A N   1 
ATOM   244 C CA  . GLN A 1 40 ? 3.37267   7.98586  85.67965 1.000 41.28073 ? 40  GLN A CA  1 
ATOM   245 C C   . GLN A 1 40 ? 3.70420   7.04317  84.52852 1.000 39.19634 ? 40  GLN A C   1 
ATOM   246 O O   . GLN A 1 40 ? 3.59068   7.41986  83.35659 1.000 41.24905 ? 40  GLN A O   1 
ATOM   247 C CB  . GLN A 1 40 ? 4.64505   8.62206  86.24116 1.000 48.65794 ? 40  GLN A CB  1 
ATOM   248 C CG  . GLN A 1 40 ? 5.01194   9.95347  85.60177 1.000 59.27569 ? 40  GLN A CG  1 
ATOM   249 C CD  . GLN A 1 40 ? 5.71655   9.80275  84.26506 1.000 61.49454 ? 40  GLN A CD  1 
ATOM   250 O OE1 . GLN A 1 40 ? 5.32757   10.42025 83.27442 1.000 62.39653 ? 40  GLN A OE1 1 
ATOM   251 N NE2 . GLN A 1 40 ? 6.77302   8.99776  84.23736 1.000 63.92801 ? 40  GLN A NE2 1 
ATOM   252 N N   . GLN A 1 41 ? 4.10809   5.80922  84.84361 1.000 38.87239 ? 41  GLN A N   1 
ATOM   253 C CA  . GLN A 1 41 ? 4.38390   4.83116  83.79407 1.000 37.18800 ? 41  GLN A CA  1 
ATOM   254 C C   . GLN A 1 41 ? 3.14178   4.55090  82.95664 1.000 40.76782 ? 41  GLN A C   1 
ATOM   255 O O   . GLN A 1 41 ? 3.23903   4.32945  81.74261 1.000 36.92546 ? 41  GLN A O   1 
ATOM   256 C CB  . GLN A 1 41 ? 4.91909   3.53639  84.40795 1.000 40.66231 ? 41  GLN A CB  1 
ATOM   257 C CG  . GLN A 1 41 ? 5.08113   2.38515  83.42363 1.000 43.48196 ? 41  GLN A CG  1 
ATOM   258 C CD  . GLN A 1 41 ? 6.32142   2.51350  82.55606 1.000 47.75272 ? 41  GLN A CD  1 
ATOM   259 O OE1 . GLN A 1 41 ? 6.61222   3.57964  82.01236 1.000 41.58822 ? 41  GLN A OE1 1 
ATOM   260 N NE2 . GLN A 1 41 ? 7.06344   1.41997  82.42690 1.000 46.25281 ? 41  GLN A NE2 1 
ATOM   261 N N   . GLN A 1 42 ? 1.96314   4.55749  83.58659 1.000 36.08606 ? 42  GLN A N   1 
ATOM   262 C CA  . GLN A 1 42 ? 0.72729   4.34502  82.84056 1.000 43.30451 ? 42  GLN A CA  1 
ATOM   263 C C   . GLN A 1 42 ? 0.44145   5.49703  81.88499 1.000 41.56221 ? 42  GLN A C   1 
ATOM   264 O O   . GLN A 1 42 ? -0.13062  5.28091  80.81063 1.000 37.18102 ? 42  GLN A O   1 
ATOM   265 C CB  . GLN A 1 42 ? -0.44421  4.14712  83.80312 1.000 37.47150 ? 42  GLN A CB  1 
ATOM   266 C CG  . GLN A 1 42 ? -0.39568  2.83722  84.57571 1.000 47.30775 ? 42  GLN A CG  1 
ATOM   267 C CD  . GLN A 1 42 ? -1.66301  2.56081  85.36454 1.000 45.22600 ? 42  GLN A CD  1 
ATOM   268 O OE1 . GLN A 1 42 ? -2.21188  3.44740  86.01753 1.000 51.11525 ? 42  GLN A OE1 1 
ATOM   269 N NE2 . GLN A 1 42 ? -2.13756  1.32401  85.30012 1.000 43.96064 ? 42  GLN A NE2 1 
ATOM   270 N N   . ASN A 1 43 ? 0.81757   6.72288  82.25887 1.000 35.68477 ? 43  ASN A N   1 
ATOM   271 C CA  . ASN A 1 43 ? 0.69851   7.84576  81.33383 1.000 38.19140 ? 43  ASN A CA  1 
ATOM   272 C C   . ASN A 1 43 ? 1.72633   7.73624  80.21498 1.000 35.62245 ? 43  ASN A C   1 
ATOM   273 O O   . ASN A 1 43 ? 1.44709   8.10783  79.06898 1.000 33.30772 ? 43  ASN A O   1 
ATOM   274 C CB  . ASN A 1 43 ? 0.85158   9.16714  82.09181 1.000 37.64277 ? 43  ASN A CB  1 
ATOM   275 C CG  . ASN A 1 43 ? 0.39684   10.36711 81.28202 1.000 41.82010 ? 43  ASN A CG  1 
ATOM   276 O OD1 . ASN A 1 43 ? -0.78480  10.50561 80.96867 1.000 45.71402 ? 43  ASN A OD1 1 
ATOM   277 N ND2 . ASN A 1 43 ? 1.33361   11.24922 80.95145 1.000 45.09515 ? 43  ASN A ND2 1 
ATOM   278 N N   . ASN A 1 44 ? 2.91743   7.21507  80.52806 1.000 34.46775 ? 44  ASN A N   1 
ATOM   279 C CA  . ASN A 1 44 ? 3.91702   6.96948  79.49399 1.000 33.54272 ? 44  ASN A CA  1 
ATOM   280 C C   . ASN A 1 44 ? 3.39149   6.00171  78.44154 1.000 34.62962 ? 44  ASN A C   1 
ATOM   281 O O   . ASN A 1 44 ? 3.55792   6.23045  77.23836 1.000 31.40962 ? 44  ASN A O   1 
ATOM   282 C CB  . ASN A 1 44 ? 5.20384   6.42947  80.12177 1.000 34.67846 ? 44  ASN A CB  1 
ATOM   283 C CG  . ASN A 1 44 ? 5.91920   7.46292  80.97344 1.000 40.47922 ? 44  ASN A CG  1 
ATOM   284 O OD1 . ASN A 1 44 ? 5.71505   8.66677  80.81153 1.000 50.27188 ? 44  ASN A OD1 1 
ATOM   285 N ND2 . ASN A 1 44 ? 6.77556   6.99657  81.87685 1.000 44.70232 ? 44  ASN A ND2 1 
ATOM   286 N N   . LEU A 1 45 ? 2.74803   4.91509  78.87632 1.000 31.15261 ? 45  LEU A N   1 
ATOM   287 C CA  . LEU A 1 45 ? 2.23182   3.93235  77.92746 1.000 29.58646 ? 45  LEU A CA  1 
ATOM   288 C C   . LEU A 1 45 ? 1.04051   4.48321  77.14996 1.000 35.37321 ? 45  LEU A C   1 
ATOM   289 O O   . LEU A 1 45 ? 0.90186   4.21826  75.94939 1.000 34.47828 ? 45  LEU A O   1 
ATOM   290 C CB  . LEU A 1 45 ? 1.85041   2.64074  78.65864 1.000 32.82349 ? 45  LEU A CB  1 
ATOM   291 C CG  . LEU A 1 45 ? 2.92083   1.92883  79.50206 1.000 33.14141 ? 45  LEU A CG  1 
ATOM   292 C CD1 . LEU A 1 45 ? 2.38042   0.64400  80.12237 1.000 39.04130 ? 45  LEU A CD1 1 
ATOM   293 C CD2 . LEU A 1 45 ? 4.15670   1.63731  78.66228 1.000 36.09006 ? 45  LEU A CD2 1 
ATOM   294 N N   . LEU A 1 46 ? 0.17604   5.25848  77.81220 1.000 31.55790 ? 46  LEU A N   1 
ATOM   295 C CA  . LEU A 1 46 ? -0.97712  5.83877  77.12807 1.000 30.15010 ? 46  LEU A CA  1 
ATOM   296 C C   . LEU A 1 46 ? -0.53675  6.77890  76.01250 1.000 38.45553 ? 46  LEU A C   1 
ATOM   297 O O   . LEU A 1 46 ? -1.08538  6.74786  74.90572 1.000 36.33880 ? 46  LEU A O   1 
ATOM   298 C CB  . LEU A 1 46 ? -1.86839  6.57246  78.12958 1.000 31.18027 ? 46  LEU A CB  1 
ATOM   299 C CG  . LEU A 1 46 ? -3.15486  7.20220  77.59858 1.000 38.12401 ? 46  LEU A CG  1 
ATOM   300 C CD1 . LEU A 1 46 ? -3.96175  6.17964  76.81647 1.000 39.73593 ? 46  LEU A CD1 1 
ATOM   301 C CD2 . LEU A 1 46 ? -3.96812  7.75928  78.75364 1.000 42.49191 ? 46  LEU A CD2 1 
ATOM   302 N N   . ARG A 1 47 ? 0.45422   7.62729  76.29304 1.000 34.49354 ? 47  ARG A N   1 
ATOM   303 C CA  . ARG A 1 47 ? 1.01322   8.49238  75.25837 1.000 29.75126 ? 47  ARG A CA  1 
ATOM   304 C C   . ARG A 1 47 ? 1.58200   7.67500  74.10592 1.000 35.99668 ? 47  ARG A C   1 
ATOM   305 O O   . ARG A 1 47 ? 1.39053   8.01775  72.93322 1.000 29.13747 ? 47  ARG A O   1 
ATOM   306 C CB  . ARG A 1 47 ? 2.09089   9.39289  75.86116 1.000 31.46190 ? 47  ARG A CB  1 
ATOM   307 C CG  . ARG A 1 47 ? 1.55668   10.47061 76.78806 1.000 33.45969 ? 47  ARG A CG  1 
ATOM   308 C CD  . ARG A 1 47 ? 2.68414   11.13220 77.54993 1.000 43.30879 ? 47  ARG A CD  1 
ATOM   309 N NE  . ARG A 1 47 ? 2.27896   12.40414 78.13580 1.000 51.71843 ? 47  ARG A NE  1 
ATOM   310 C CZ  . ARG A 1 47 ? 3.00014   13.08611 79.01516 1.000 50.47148 ? 47  ARG A CZ  1 
ATOM   311 N NH1 . ARG A 1 47 ? 4.15899   12.62678 79.46213 1.000 46.44072 ? 47  ARG A NH1 1 
ATOM   312 N NH2 . ARG A 1 47 ? 2.54909   14.25890 79.45438 1.000 46.60293 ? 47  ARG A NH2 1 
ATOM   313 N N   . ALA A 1 48 ? 2.29565   6.59187  74.42124 1.000 32.86937 ? 48  ALA A N   1 
ATOM   314 C CA  . ALA A 1 48 ? 2.85601   5.74248  73.37669 1.000 31.73809 ? 48  ALA A CA  1 
ATOM   315 C C   . ALA A 1 48 ? 1.75240   5.15462  72.50661 1.000 38.46650 ? 48  ALA A C   1 
ATOM   316 O O   . ALA A 1 48 ? 1.83096   5.18456  71.27378 1.000 32.23848 ? 48  ALA A O   1 
ATOM   317 C CB  . ALA A 1 48 ? 3.70410   4.63502  74.00433 1.000 28.16455 ? 48  ALA A CB  1 
ATOM   318 N N   . ILE A 1 49 ? 0.70651   4.62225  73.14144 1.000 31.44253 ? 49  ILE A N   1 
ATOM   319 C CA  . ILE A 1 49 ? -0.42603  4.07245  72.40164 1.000 34.93921 ? 49  ILE A CA  1 
ATOM   320 C C   . ILE A 1 49 ? -1.06449  5.14557  71.52614 1.000 31.62691 ? 49  ILE A C   1 
ATOM   321 O O   . ILE A 1 49 ? -1.43740  4.88969  70.37387 1.000 34.55771 ? 49  ILE A O   1 
ATOM   322 C CB  . ILE A 1 49 ? -1.43785  3.45236  73.38471 1.000 30.14152 ? 49  ILE A CB  1 
ATOM   323 C CG1 . ILE A 1 49 ? -0.91828  2.11023  73.90963 1.000 33.07824 ? 49  ILE A CG1 1 
ATOM   324 C CG2 . ILE A 1 49 ? -2.81417  3.30914  72.74352 1.000 24.94969 ? 49  ILE A CG2 1 
ATOM   325 C CD1 . ILE A 1 49 ? -1.74774  1.53817  75.03529 1.000 35.95792 ? 49  ILE A CD1 1 
ATOM   326 N N   . GLU A 1 50 ? -1.17672  6.37031  72.04725 1.000 25.79872 ? 50  GLU A N   1 
ATOM   327 C CA  . GLU A 1 50 ? -1.80358  7.44520  71.28089 1.000 32.81909 ? 50  GLU A CA  1 
ATOM   328 C C   . GLU A 1 50 ? -0.92970  7.87981  70.11033 1.000 27.47219 ? 50  GLU A C   1 
ATOM   329 O O   . GLU A 1 50 ? -1.44043  8.17106  69.02073 1.000 32.35929 ? 50  GLU A O   1 
ATOM   330 C CB  . GLU A 1 50 ? -2.11308  8.63054  72.19519 1.000 36.89436 ? 50  GLU A CB  1 
ATOM   331 C CG  . GLU A 1 50 ? -3.19683  8.33102  73.21922 1.000 33.37517 ? 50  GLU A CG  1 
ATOM   332 C CD  . GLU A 1 50 ? -3.30061  9.39143  74.29265 1.000 45.96416 ? 50  GLU A CD  1 
ATOM   333 O OE1 . GLU A 1 50 ? -2.32749  10.15300 74.47917 1.000 50.58334 ? 50  GLU A OE1 1 
ATOM   334 O OE2 . GLU A 1 50 ? -4.35609  9.46211  74.95533 1.000 52.20093 ? 50  GLU A OE2 1 
ATOM   335 N N   . ALA A 1 51 ? 0.38901   7.92996  70.31222 1.000 29.98948 ? 51  ALA A N   1 
ATOM   336 C CA  . ALA A 1 51 ? 1.28581   8.26111  69.20933 1.000 27.54238 ? 51  ALA A CA  1 
ATOM   337 C C   . ALA A 1 51 ? 1.26494   7.17576  68.13930 1.000 35.07260 ? 51  ALA A C   1 
ATOM   338 O O   . ALA A 1 51 ? 1.30884   7.47475  66.93917 1.000 30.87222 ? 51  ALA A O   1 
ATOM   339 C CB  . ALA A 1 51 ? 2.70554   8.47691  69.73035 1.000 32.14570 ? 51  ALA A CB  1 
ATOM   340 N N   . GLN A 1 52 ? 1.18525   5.90865  68.55371 1.000 29.77398 ? 52  GLN A N   1 
ATOM   341 C CA  . GLN A 1 52 ? 1.08264   4.82170  67.58425 1.000 28.50560 ? 52  GLN A CA  1 
ATOM   342 C C   . GLN A 1 52 ? -0.25091  4.86429  66.84765 1.000 34.87457 ? 52  GLN A C   1 
ATOM   343 O O   . GLN A 1 52 ? -0.32303  4.53694  65.65668 1.000 33.76780 ? 52  GLN A O   1 
ATOM   344 C CB  . GLN A 1 52 ? 1.26792   3.47219  68.27946 1.000 23.36951 ? 52  GLN A CB  1 
ATOM   345 C CG  . GLN A 1 52 ? 2.69345   3.18637  68.72933 1.000 36.67888 ? 52  GLN A CG  1 
ATOM   346 C CD  . GLN A 1 52 ? 2.83000   1.82983  69.39683 1.000 35.22267 ? 52  GLN A CD  1 
ATOM   347 O OE1 . GLN A 1 52 ? 3.86718   1.17431  69.29397 1.000 33.14507 ? 52  GLN A OE1 1 
ATOM   348 N NE2 . GLN A 1 52 ? 1.77860   1.40269  70.08734 1.000 34.44404 ? 52  GLN A NE2 1 
ATOM   349 N N   . GLN A 1 53 ? -1.32049  5.26429  67.54012 1.000 28.57682 ? 53  GLN A N   1 
ATOM   350 C CA  . GLN A 1 53 ? -2.61462  5.40199  66.88009 1.000 36.03216 ? 53  GLN A CA  1 
ATOM   351 C C   . GLN A 1 53 ? -2.55777  6.46076  65.78511 1.000 33.16971 ? 53  GLN A C   1 
ATOM   352 O O   . GLN A 1 53 ? -3.13888  6.28505  64.70780 1.000 34.94382 ? 53  GLN A O   1 
ATOM   353 C CB  . GLN A 1 53 ? -3.69766  5.73562  67.91026 1.000 32.73657 ? 53  GLN A CB  1 
ATOM   354 C CG  . GLN A 1 53 ? -5.09474  5.91687  67.32839 1.000 35.37196 ? 53  GLN A CG  1 
ATOM   355 C CD  . GLN A 1 53 ? -5.55931  4.72721  66.50177 1.000 39.97605 ? 53  GLN A CD  1 
ATOM   356 O OE1 . GLN A 1 53 ? -5.14939  3.58851  66.73421 1.000 37.71201 ? 53  GLN A OE1 1 
ATOM   357 N NE2 . GLN A 1 53 ? -6.42138  4.99107  65.52577 1.000 52.02752 ? 53  GLN A NE2 1 
ATOM   358 N N   . HIS A 1 54 ? -1.84307  7.55889  66.03810 1.000 29.80159 ? 54  HIS A N   1 
ATOM   359 C CA  . HIS A 1 54 ? -1.69278  8.60347  65.02893 1.000 28.22976 ? 54  HIS A CA  1 
ATOM   360 C C   . HIS A 1 54 ? -0.98615  8.06954  63.78899 1.000 38.72471 ? 54  HIS A C   1 
ATOM   361 O O   . HIS A 1 54 ? -1.43999  8.28356  62.65833 1.000 33.45506 ? 54  HIS A O   1 
ATOM   362 C CB  . HIS A 1 54 ? -0.92688  9.78824  65.62047 1.000 30.00560 ? 54  HIS A CB  1 
ATOM   363 C CG  . HIS A 1 54 ? -0.76499  10.93964 64.67540 1.000 35.88079 ? 54  HIS A CG  1 
ATOM   364 N ND1 . HIS A 1 54 ? 0.39074   11.15822 63.96102 1.000 43.91258 ? 54  HIS A ND1 1 
ATOM   365 C CD2 . HIS A 1 54 ? -1.61541  11.93755 64.33681 1.000 42.56021 ? 54  HIS A CD2 1 
ATOM   366 C CE1 . HIS A 1 54 ? 0.24552   12.24169 63.21499 1.000 40.98988 ? 54  HIS A CE1 1 
ATOM   367 N NE2 . HIS A 1 54 ? -0.96087  12.73161 63.42524 1.000 49.15366 ? 54  HIS A NE2 1 
ATOM   368 N N   . LEU A 1 55 ? 0.13043   7.36489  63.98226 1.000 32.27557 ? 55  LEU A N   1 
ATOM   369 C CA  . LEU A 1 55 ? 0.84989   6.79991  62.84539 1.000 31.67384 ? 55  LEU A CA  1 
ATOM   370 C C   . LEU A 1 55 ? 0.03332   5.70914  62.16281 1.000 32.75809 ? 55  LEU A C   1 
ATOM   371 O O   . LEU A 1 55 ? -0.00443  5.63656  60.92874 1.000 28.68414 ? 55  LEU A O   1 
ATOM   372 C CB  . LEU A 1 55 ? 2.20489   6.25304  63.29605 1.000 25.24325 ? 55  LEU A CB  1 
ATOM   373 C CG  . LEU A 1 55 ? 3.07805   5.61543  62.21141 1.000 34.67649 ? 55  LEU A CG  1 
ATOM   374 C CD1 . LEU A 1 55 ? 3.28362   6.58879  61.06572 1.000 32.37820 ? 55  LEU A CD1 1 
ATOM   375 C CD2 . LEU A 1 55 ? 4.41882   5.16805  62.77932 1.000 32.12663 ? 55  LEU A CD2 1 
ATOM   376 N N   . LEU A 1 56 ? -0.62327  4.85100  62.94903 1.000 30.60336 ? 56  LEU A N   1 
ATOM   377 C CA  . LEU A 1 56 ? -1.49571  3.82885  62.37453 1.000 35.34153 ? 56  LEU A CA  1 
ATOM   378 C C   . LEU A 1 56 ? -2.58149  4.46422  61.51558 1.000 29.42212 ? 56  LEU A C   1 
ATOM   379 O O   . LEU A 1 56 ? -2.88637  3.98396  60.41665 1.000 37.20650 ? 56  LEU A O   1 
ATOM   380 C CB  . LEU A 1 56 ? -2.10837  2.98282  63.49286 1.000 27.46948 ? 56  LEU A CB  1 
ATOM   381 C CG  . LEU A 1 56 ? -3.04729  1.82342  63.16137 1.000 30.35127 ? 56  LEU A CG  1 
ATOM   382 C CD1 . LEU A 1 56 ? -2.41406  0.86707  62.16602 1.000 36.26606 ? 56  LEU A CD1 1 
ATOM   383 C CD2 . LEU A 1 56 ? -3.43129  1.08517  64.44121 1.000 37.69798 ? 56  LEU A CD2 1 
ATOM   384 N N   . GLN A 1 57 ? -3.15513  5.57133  61.99208 1.000 28.53866 ? 57  GLN A N   1 
ATOM   385 C CA  . GLN A 1 57 ? -4.16469  6.28662  61.22002 1.000 27.79975 ? 57  GLN A CA  1 
ATOM   386 C C   . GLN A 1 57 ? -3.59266  6.80805  59.90533 1.000 30.23697 ? 57  GLN A C   1 
ATOM   387 O O   . GLN A 1 57 ? -4.27973  6.81155  58.87712 1.000 35.28182 ? 57  GLN A O   1 
ATOM   388 C CB  . GLN A 1 57 ? -4.73132  7.43430  62.05533 1.000 37.87137 ? 57  GLN A CB  1 
ATOM   389 C CG  . GLN A 1 57 ? -5.88925  8.15983  61.41404 1.000 38.60058 ? 57  GLN A CG  1 
ATOM   390 C CD  . GLN A 1 57 ? -7.08348  7.26105  61.17313 1.000 52.58981 ? 57  GLN A CD  1 
ATOM   391 O OE1 . GLN A 1 57 ? -7.34133  6.84128  60.04485 1.000 51.59506 ? 57  GLN A OE1 1 
ATOM   392 N NE2 . GLN A 1 57 ? -7.82610  6.96694  62.23414 1.000 55.99145 ? 57  GLN A NE2 1 
ATOM   393 N N   . LEU A 1 58 ? -2.33163  7.24889  59.91879 1.000 26.12612 ? 58  LEU A N   1 
ATOM   394 C CA  . LEU A 1 58 ? -1.71576  7.75707  58.69588 1.000 27.22366 ? 58  LEU A CA  1 
ATOM   395 C C   . LEU A 1 58 ? -1.51864  6.64210  57.67542 1.000 33.25220 ? 58  LEU A C   1 
ATOM   396 O O   . LEU A 1 58 ? -1.70691  6.84866  56.46998 1.000 30.73703 ? 58  LEU A O   1 
ATOM   397 C CB  . LEU A 1 58 ? -0.38014  8.43151  59.01835 1.000 27.04355 ? 58  LEU A CB  1 
ATOM   398 C CG  . LEU A 1 58 ? -0.41348  9.70197  59.87084 1.000 33.35890 ? 58  LEU A CG  1 
ATOM   399 C CD1 . LEU A 1 58 ? 0.98462   10.28937 60.02036 1.000 31.22488 ? 58  LEU A CD1 1 
ATOM   400 C CD2 . LEU A 1 58 ? -1.36824  10.72195 59.27570 1.000 33.90593 ? 58  LEU A CD2 1 
ATOM   401 N N   . THR A 1 59 ? -1.14723  5.44804  58.14147 1.000 25.70827 ? 59  THR A N   1 
ATOM   402 C CA  . THR A 1 59 ? -0.92358  4.33095  57.22805 1.000 29.22139 ? 59  THR A CA  1 
ATOM   403 C C   . THR A 1 59 ? -2.23087  3.84292  56.61557 1.000 37.71506 ? 59  THR A C   1 
ATOM   404 O O   . THR A 1 59 ? -2.25715  3.41482  55.45483 1.000 29.65380 ? 59  THR A O   1 
ATOM   405 C CB  . THR A 1 59 ? -0.22296  3.18869  57.95937 1.000 26.91575 ? 59  THR A CB  1 
ATOM   406 O OG1 . THR A 1 59 ? -1.05604  2.72611  59.02926 1.000 34.59585 ? 59  THR A OG1 1 
ATOM   407 C CG2 . THR A 1 59 ? 1.10124   3.66546  58.53423 1.000 26.58097 ? 59  THR A CG2 1 
ATOM   408 N N   . VAL A 1 60 ? -3.32084  3.88595  57.38667 1.000 26.23950 ? 60  VAL A N   1 
ATOM   409 C CA  . VAL A 1 60 ? -4.63476  3.54697  56.84203 1.000 30.23739 ? 60  VAL A CA  1 
ATOM   410 C C   . VAL A 1 60 ? -4.97599  4.47797  55.68718 1.000 32.78970 ? 60  VAL A C   1 
ATOM   411 O O   . VAL A 1 60 ? -5.43613  4.04333  54.62301 1.000 34.72572 ? 60  VAL A O   1 
ATOM   412 C CB  . VAL A 1 60 ? -5.70711  3.60315  57.94713 1.000 34.72000 ? 60  VAL A CB  1 
ATOM   413 C CG1 . VAL A 1 60 ? -7.10360  3.58772  57.33802 1.000 25.15812 ? 60  VAL A CG1 1 
ATOM   414 C CG2 . VAL A 1 60 ? -5.52667  2.45356  58.92454 1.000 27.51405 ? 60  VAL A CG2 1 
ATOM   415 N N   . TRP A 1 61 ? -4.74588  5.77721  55.88068 1.000 29.31187 ? 61  TRP A N   1 
ATOM   416 C CA  . TRP A 1 61 ? -4.98945  6.74739  54.82059 1.000 27.88634 ? 61  TRP A CA  1 
ATOM   417 C C   . TRP A 1 61 ? -4.02266  6.55695  53.66076 1.000 37.59630 ? 61  TRP A C   1 
ATOM   418 O O   . TRP A 1 61 ? -4.39700  6.74759  52.49828 1.000 36.42971 ? 61  TRP A O   1 
ATOM   419 C CB  . TRP A 1 61 ? -4.88313  8.16379  55.37928 1.000 32.17481 ? 61  TRP A CB  1 
ATOM   420 C CG  . TRP A 1 61 ? -5.98594  8.49847  56.31713 1.000 42.81127 ? 61  TRP A CG  1 
ATOM   421 C CD1 . TRP A 1 61 ? -7.24842  7.98666  56.30679 1.000 37.62680 ? 61  TRP A CD1 1 
ATOM   422 C CD2 . TRP A 1 61 ? -5.92849  9.40716  57.42147 1.000 49.36904 ? 61  TRP A CD2 1 
ATOM   423 N NE1 . TRP A 1 61 ? -7.98707  8.52756  57.33048 1.000 50.68335 ? 61  TRP A NE1 1 
ATOM   424 C CE2 . TRP A 1 61 ? -7.19869  9.40209  58.03048 1.000 45.79457 ? 61  TRP A CE2 1 
ATOM   425 C CE3 . TRP A 1 61 ? -4.92848  10.22854 57.95139 1.000 40.42090 ? 61  TRP A CE3 1 
ATOM   426 C CZ2 . TRP A 1 61 ? -7.49628  10.18672 59.13909 1.000 48.91321 ? 61  TRP A CZ2 1 
ATOM   427 C CZ3 . TRP A 1 61 ? -5.22597  11.00598 59.05513 1.000 43.69687 ? 61  TRP A CZ3 1 
ATOM   428 C CH2 . TRP A 1 61 ? -6.49923  10.98043 59.63578 1.000 50.75874 ? 61  TRP A CH2 1 
ATOM   429 N N   . GLY A 1 62 ? -2.77358  6.19078  53.95499 1.000 29.55170 ? 62  GLY A N   1 
ATOM   430 C CA  . GLY A 1 62 ? -1.81865  5.94776  52.88732 1.000 30.78160 ? 62  GLY A CA  1 
ATOM   431 C C   . GLY A 1 62 ? -2.17572  4.72917  52.05415 1.000 28.92919 ? 62  GLY A C   1 
ATOM   432 O O   . GLY A 1 62 ? -1.91478  4.69071  50.85113 1.000 27.37559 ? 62  GLY A O   1 
ATOM   433 N N   . ILE A 1 63 ? -2.77764  3.72148  52.68663 1.000 27.29547 ? 63  ILE A N   1 
ATOM   434 C CA  . ILE A 1 63 ? -3.21321  2.54019  51.94656 1.000 31.91714 ? 63  ILE A CA  1 
ATOM   435 C C   . ILE A 1 63 ? -4.39639  2.88129  51.04921 1.000 29.41432 ? 63  ILE A C   1 
ATOM   436 O O   . ILE A 1 63 ? -4.49645  2.39261  49.91673 1.000 32.01833 ? 63  ILE A O   1 
ATOM   437 C CB  . ILE A 1 63 ? -3.54206  1.39491  52.92339 1.000 28.94246 ? 63  ILE A CB  1 
ATOM   438 C CG1 . ILE A 1 63 ? -2.25385  0.80036  53.49704 1.000 29.46688 ? 63  ILE A CG1 1 
ATOM   439 C CG2 . ILE A 1 63 ? -4.37332  0.31492  52.24019 1.000 28.79716 ? 63  ILE A CG2 1 
ATOM   440 C CD1 . ILE A 1 63 ? -2.49234  -0.24561 54.56763 1.000 32.46026 ? 63  ILE A CD1 1 
ATOM   441 N N   . LYS A 1 64 ? -5.30477  3.73427  51.52948 1.000 24.87184 ? 64  LYS A N   1 
ATOM   442 C CA  . LYS A 1 64 ? -6.45900  4.11502  50.71932 1.000 29.61650 ? 64  LYS A CA  1 
ATOM   443 C C   . LYS A 1 64 ? -6.03559  4.89013  49.47804 1.000 34.12728 ? 64  LYS A C   1 
ATOM   444 O O   . LYS A 1 64 ? -6.63168  4.73276  48.40379 1.000 31.04772 ? 64  LYS A O   1 
ATOM   445 C CB  . LYS A 1 64 ? -7.44032  4.93563  51.55562 1.000 28.66256 ? 64  LYS A CB  1 
ATOM   446 C CG  . LYS A 1 64 ? -8.16405  4.12288  52.61707 1.000 37.14052 ? 64  LYS A CG  1 
ATOM   447 C CD  . LYS A 1 64 ? -8.88954  2.94007  51.99681 1.000 51.82853 ? 64  LYS A CD  1 
ATOM   448 C CE  . LYS A 1 64 ? -10.04596 3.39892  51.12136 1.000 56.19213 ? 64  LYS A CE  1 
ATOM   449 N NZ  . LYS A 1 64 ? -10.20120 2.54006  49.91381 1.000 59.04413 ? 64  LYS A NZ  1 
ATOM   450 N N   . GLN A 1 65 ? -5.00369  5.72798  49.60529 1.000 25.37612 ? 65  GLN A N   1 
ATOM   451 C CA  . GLN A 1 65 ? -4.53472  6.50116  48.46037 1.000 28.55787 ? 65  GLN A CA  1 
ATOM   452 C C   . GLN A 1 65 ? -3.80925  5.61460  47.45973 1.000 25.42255 ? 65  GLN A C   1 
ATOM   453 O O   . GLN A 1 65 ? -3.90027  5.83348  46.24581 1.000 28.20604 ? 65  GLN A O   1 
ATOM   454 C CB  . GLN A 1 65 ? -3.62721  7.63449  48.92645 1.000 28.17142 ? 65  GLN A CB  1 
ATOM   455 C CG  . GLN A 1 65 ? -3.09826  8.51071  47.81353 1.000 44.37872 ? 65  GLN A CG  1 
ATOM   456 C CD  . GLN A 1 65 ? -2.54040  9.79737  48.36237 1.000 57.92324 ? 65  GLN A CD  1 
ATOM   457 O OE1 . GLN A 1 65 ? -1.70636  10.44826 47.73852 1.000 63.55381 ? 65  GLN A OE1 1 
ATOM   458 N NE2 . GLN A 1 65 ? -2.98457  10.16137 49.55855 1.000 57.17235 ? 65  GLN A NE2 1 
ATOM   459 N N   . LEU A 1 66 ? -3.08753  4.60557  47.94800 1.000 25.81783 ? 66  LEU A N   1 
ATOM   460 C CA  . LEU A 1 66 ? -2.46528  3.64407  47.04490 1.000 28.72846 ? 66  LEU A CA  1 
ATOM   461 C C   . LEU A 1 66 ? -3.51657  2.81851  46.31314 1.000 30.90852 ? 66  LEU A C   1 
ATOM   462 O O   . LEU A 1 66 ? -3.36110  2.51784  45.12269 1.000 27.49962 ? 66  LEU A O   1 
ATOM   463 C CB  . LEU A 1 66 ? -1.50622  2.74520  47.82391 1.000 22.96297 ? 66  LEU A CB  1 
ATOM   464 C CG  . LEU A 1 66 ? -0.13190  3.35266  48.12290 1.000 23.77848 ? 66  LEU A CG  1 
ATOM   465 C CD1 . LEU A 1 66 ? 0.63602   2.50089  49.12407 1.000 28.09737 ? 66  LEU A CD1 1 
ATOM   466 C CD2 . LEU A 1 66 ? 0.65643   3.50661  46.83159 1.000 35.93669 ? 66  LEU A CD2 1 
ATOM   467 N N   . GLN A 1 67 ? -4.60190  2.45994  47.00541 1.000 24.65406 ? 67  GLN A N   1 
ATOM   468 C CA  . GLN A 1 67 ? -5.70497  1.75817  46.35552 1.000 28.78632 ? 67  GLN A CA  1 
ATOM   469 C C   . GLN A 1 67 ? -6.32436  2.60186  45.24746 1.000 26.95244 ? 67  GLN A C   1 
ATOM   470 O O   . GLN A 1 67 ? -6.69974  2.07685  44.19291 1.000 30.65528 ? 67  GLN A O   1 
ATOM   471 C CB  . GLN A 1 67 ? -6.76806  1.37817  47.38575 1.000 26.68765 ? 67  GLN A CB  1 
ATOM   472 C CG  . GLN A 1 67 ? -6.35232  0.28264  48.34534 1.000 35.65755 ? 67  GLN A CG  1 
ATOM   473 C CD  . GLN A 1 67 ? -7.39789  0.01883  49.40712 1.000 40.64980 ? 67  GLN A CD  1 
ATOM   474 O OE1 . GLN A 1 67 ? -8.24644  0.86551  49.68161 1.000 45.50935 ? 67  GLN A OE1 1 
ATOM   475 N NE2 . GLN A 1 67 ? -7.34758  -1.16402 50.00571 1.000 47.28461 ? 67  GLN A NE2 1 
ATOM   476 N N   . ALA A 1 68 ? -6.44835  3.91218  45.47010 1.000 25.97668 ? 68  ALA A N   1 
ATOM   477 C CA  . ALA A 1 68 ? -7.00600  4.78106  44.43790 1.000 25.51812 ? 68  ALA A CA  1 
ATOM   478 C C   . ALA A 1 68 ? -6.04981  4.91578  43.25894 1.000 25.39865 ? 68  ALA A C   1 
ATOM   479 O O   . ALA A 1 68 ? -6.48231  5.00446  42.10277 1.000 27.18467 ? 68  ALA A O   1 
ATOM   480 C CB  . ALA A 1 68 ? -7.33562  6.15424  45.02572 1.000 23.65841 ? 68  ALA A CB  1 
ATOM   481 N N   . ARG A 1 69 ? -4.74174  4.92153  43.52982 1.000 22.34773 ? 69  ARG A N   1 
ATOM   482 C CA  . ARG A 1 69 ? -3.76479  5.06055  42.45319 1.000 26.23483 ? 69  ARG A CA  1 
ATOM   483 C C   . ARG A 1 69 ? -3.71138  3.80753  41.58536 1.000 27.43557 ? 69  ARG A C   1 
ATOM   484 O O   . ARG A 1 69 ? -3.65264  3.90138  40.35303 1.000 23.63561 ? 69  ARG A O   1 
ATOM   485 C CB  . ARG A 1 69 ? -2.38298  5.37949  43.03038 1.000 22.67206 ? 69  ARG A CB  1 
ATOM   486 C CG  . ARG A 1 69 ? -2.24234  6.81415  43.53683 1.000 26.22163 ? 69  ARG A CG  1 
ATOM   487 C CD  . ARG A 1 69 ? -0.90220  7.04490  44.22421 1.000 31.55385 ? 69  ARG A CD  1 
ATOM   488 N NE  . ARG A 1 69 ? 0.20325   7.17317  43.28228 1.000 24.43140 ? 69  ARG A NE  1 
ATOM   489 C CZ  . ARG A 1 69 ? 1.47441   7.30015  43.63823 1.000 30.76112 ? 69  ARG A CZ  1 
ATOM   490 N NH1 . ARG A 1 69 ? 1.83844   7.31216  44.90936 1.000 28.93375 ? 69  ARG A NH1 1 
ATOM   491 N NH2 . ARG A 1 69 ? 2.40438   7.41548  42.69636 1.000 25.29410 ? 69  ARG A NH2 1 
ATOM   492 N N   . ILE A 1 70 ? -3.73613  2.62476  42.20581 1.000 23.40173 ? 70  ILE A N   1 
ATOM   493 C CA  . ILE A 1 70 ? -3.68838  1.38553  41.43149 1.000 25.90209 ? 70  ILE A CA  1 
ATOM   494 C C   . ILE A 1 70 ? -5.00175  1.16428  40.69183 1.000 29.21381 ? 70  ILE A C   1 
ATOM   495 O O   . ILE A 1 70 ? -5.02137  0.60785  39.58707 1.000 26.00652 ? 70  ILE A O   1 
ATOM   496 C CB  . ILE A 1 70 ? -3.34200  0.18746  42.33603 1.000 19.38050 ? 70  ILE A CB  1 
ATOM   497 C CG1 . ILE A 1 70 ? -3.23283  -1.09624 41.51100 1.000 37.27794 ? 70  ILE A CG1 1 
ATOM   498 C CG2 . ILE A 1 70 ? -4.39048  0.00052  43.41738 1.000 34.10027 ? 70  ILE A CG2 1 
ATOM   499 C CD1 . ILE A 1 70 ? -2.21612  -1.02131 40.39960 1.000 33.18126 ? 70  ILE A CD1 1 
ATOM   500 N N   . LEU A 1 71 ? -6.11781  1.59721  41.28078 1.000 22.44879 ? 71  LEU A N   1 
ATOM   501 C CA  . LEU A 1 71 ? -7.39770  1.49141  40.59042 1.000 26.63062 ? 71  LEU A CA  1 
ATOM   502 C C   . LEU A 1 71 ? -7.41926  2.36873  39.34694 1.000 30.05361 ? 71  LEU A C   1 
ATOM   503 O O   . LEU A 1 71 ? -7.95467  1.97162  38.30529 1.000 25.29835 ? 71  LEU A O   1 
ATOM   504 C CB  . LEU A 1 71 ? -8.53569  1.86960  41.53581 1.000 25.21296 ? 71  LEU A CB  1 
ATOM   505 C CG  . LEU A 1 71 ? -9.93972  1.86624  40.94189 1.000 24.02263 ? 71  LEU A CG  1 
ATOM   506 C CD1 . LEU A 1 71 ? -10.24883 0.50106  40.33498 1.000 22.65470 ? 71  LEU A CD1 1 
ATOM   507 C CD2 . LEU A 1 71 ? -10.95141 2.23959  42.01562 1.000 28.53256 ? 71  LEU A CD2 1 
ATOM   508 N N   . ALA A 1 72 ? -6.83699  3.56650  39.43735 1.000 20.52020 ? 72  ALA A N   1 
ATOM   509 C CA  . ALA A 1 72 ? -6.76176  4.44272  38.27311 1.000 26.24504 ? 72  ALA A CA  1 
ATOM   510 C C   . ALA A 1 72 ? -5.90756  3.82477  37.17174 1.000 28.59025 ? 72  ALA A C   1 
ATOM   511 O O   . ALA A 1 72 ? -6.23545  3.93623  35.98513 1.000 26.34545 ? 72  ALA A O   1 
ATOM   512 C CB  . ALA A 1 72 ? -6.21121  5.81003  38.67953 1.000 20.22647 ? 72  ALA A CB  1 
ATOM   513 N N   . VAL A 1 73 ? -4.80677  3.16849  37.54427 1.000 23.13964 ? 73  VAL A N   1 
ATOM   514 C CA  . VAL A 1 73 ? -3.97491  2.49179  36.55247 1.000 31.47911 ? 73  VAL A CA  1 
ATOM   515 C C   . VAL A 1 73 ? -4.71849  1.30565  35.95246 1.000 32.39071 ? 73  VAL A C   1 
ATOM   516 O O   . VAL A 1 73 ? -4.69464  1.09477  34.73357 1.000 22.66500 ? 73  VAL A O   1 
ATOM   517 C CB  . VAL A 1 73 ? -2.63257  2.07448  37.18348 1.000 21.21591 ? 73  VAL A CB  1 
ATOM   518 C CG1 . VAL A 1 73 ? -1.93210  0.98693  36.35502 1.000 21.44767 ? 73  VAL A CG1 1 
ATOM   519 C CG2 . VAL A 1 73 ? -1.73601  3.29657  37.35549 1.000 18.66323 ? 73  VAL A CG2 1 
ATOM   520 N N   . GLU A 1 74 ? -5.41048  0.52834  36.79077 1.000 24.39715 ? 74  GLU A N   1 
ATOM   521 C CA  . GLU A 1 74 ? -6.16527  -0.61510 36.28676 1.000 26.79289 ? 74  GLU A CA  1 
ATOM   522 C C   . GLU A 1 74 ? -7.24991  -0.17162 35.31456 1.000 23.82959 ? 74  GLU A C   1 
ATOM   523 O O   . GLU A 1 74 ? -7.46387  -0.80848 34.27613 1.000 28.65539 ? 74  GLU A O   1 
ATOM   524 C CB  . GLU A 1 74 ? -6.77934  -1.39614 37.44988 1.000 24.96906 ? 74  GLU A CB  1 
ATOM   525 C CG  . GLU A 1 74 ? -5.78410  -2.18778 38.28151 1.000 21.68961 ? 74  GLU A CG  1 
ATOM   526 C CD  . GLU A 1 74 ? -6.38413  -2.70196 39.57834 1.000 26.85896 ? 74  GLU A CD  1 
ATOM   527 O OE1 . GLU A 1 74 ? -7.49131  -2.25534 39.94483 1.000 28.56319 ? 74  GLU A OE1 1 
ATOM   528 O OE2 . GLU A 1 74 ? -5.74884  -3.55600 40.23087 1.000 25.47484 ? 74  GLU A OE2 1 
ATOM   529 N N   . ARG A 1 75 ? -7.94640  0.92060  35.63482 1.000 22.86058 ? 75  ARG A N   1 
ATOM   530 C CA  . ARG A 1 75 ? -8.97942  1.42437  34.73621 1.000 23.89550 ? 75  ARG A CA  1 
ATOM   531 C C   . ARG A 1 75 ? -8.37232  1.97229  33.45200 1.000 22.65927 ? 75  ARG A C   1 
ATOM   532 O O   . ARG A 1 75 ? -8.93137  1.78344  32.36490 1.000 29.77239 ? 75  ARG A O   1 
ATOM   533 C CB  . ARG A 1 75 ? -9.80892  2.49556  35.43982 1.000 22.21245 ? 75  ARG A CB  1 
ATOM   534 C CG  . ARG A 1 75 ? -10.76255 1.93454  36.48088 1.000 23.28816 ? 75  ARG A CG  1 
ATOM   535 C CD  . ARG A 1 75 ? -11.30304 3.04115  37.35798 1.000 20.89997 ? 75  ARG A CD  1 
ATOM   536 N NE  . ARG A 1 75 ? -12.42471 2.58486  38.17070 1.000 25.08571 ? 75  ARG A NE  1 
ATOM   537 C CZ  . ARG A 1 75 ? -12.98711 3.28872  39.14436 1.000 25.03696 ? 75  ARG A CZ  1 
ATOM   538 N NH1 . ARG A 1 75 ? -12.52582 4.48080  39.48976 1.000 26.16348 ? 75  ARG A NH1 1 
ATOM   539 N NH2 . ARG A 1 75 ? -14.03814 2.78282  39.78808 1.000 21.14263 ? 75  ARG A NH2 1 
ATOM   540 N N   . TYR A 1 76 ? -7.22663  2.65101  33.55510 1.000 18.93481 ? 76  TYR A N   1 
ATOM   541 C CA  . TYR A 1 76 ? -6.56422  3.17141  32.36126 1.000 25.16613 ? 76  TYR A CA  1 
ATOM   542 C C   . TYR A 1 76 ? -6.24123  2.05072  31.38057 1.000 27.10125 ? 76  TYR A C   1 
ATOM   543 O O   . TYR A 1 76 ? -6.49500  2.16880  30.17653 1.000 27.23578 ? 76  TYR A O   1 
ATOM   544 C CB  . TYR A 1 76 ? -5.29026  3.93069  32.74414 1.000 19.52425 ? 76  TYR A CB  1 
ATOM   545 C CG  . TYR A 1 76 ? -4.46006  4.37052  31.55885 1.000 25.68441 ? 76  TYR A CG  1 
ATOM   546 C CD1 . TYR A 1 76 ? -4.74596  5.55401  30.87860 1.000 37.13673 ? 76  TYR A CD1 1 
ATOM   547 C CD2 . TYR A 1 76 ? -3.38926  3.59981  31.11046 1.000 25.67867 ? 76  TYR A CD2 1 
ATOM   548 C CE1 . TYR A 1 76 ? -3.98771  5.94683  29.79101 1.000 33.72375 ? 76  TYR A CE1 1 
ATOM   549 C CE2 . TYR A 1 76 ? -2.63386  3.99739  30.02544 1.000 22.73684 ? 76  TYR A CE2 1 
ATOM   550 C CZ  . TYR A 1 76 ? -2.93437  5.16922  29.37293 1.000 27.91623 ? 76  TYR A CZ  1 
ATOM   551 O OH  . TYR A 1 76 ? -2.18146  5.56402  28.28620 1.000 33.70352 ? 76  TYR A OH  1 
ATOM   552 N N   . LEU A 1 77 ? -5.68821  0.94630  31.88626 1.000 25.46097 ? 77  LEU A N   1 
ATOM   553 C CA  . LEU A 1 77 ? -5.34789  -0.18132 31.02394 1.000 27.92900 ? 77  LEU A CA  1 
ATOM   554 C C   . LEU A 1 77 ? -6.60066  -0.84474 30.46699 1.000 35.06370 ? 77  LEU A C   1 
ATOM   555 O O   . LEU A 1 77 ? -6.62845  -1.26235 29.30358 1.000 35.86748 ? 77  LEU A O   1 
ATOM   556 C CB  . LEU A 1 77 ? -4.49470  -1.18603 31.79608 1.000 26.58722 ? 77  LEU A CB  1 
ATOM   557 C CG  . LEU A 1 77 ? -3.18023  -0.59452 32.31048 1.000 22.53235 ? 77  LEU A CG  1 
ATOM   558 C CD1 . LEU A 1 77 ? -2.48810  -1.56121 33.25827 1.000 26.30236 ? 77  LEU A CD1 1 
ATOM   559 C CD2 . LEU A 1 77 ? -2.26886  -0.21726 31.15205 1.000 24.03144 ? 77  LEU A CD2 1 
ATOM   560 N N   . LYS A 1 78 ? -7.64959  -0.94929 31.28498 1.000 29.81734 ? 78  LYS A N   1 
ATOM   561 C CA  . LYS A 1 78 ? -8.92821  -1.44501 30.78924 1.000 31.98943 ? 78  LYS A CA  1 
ATOM   562 C C   . LYS A 1 78 ? -9.45473  -0.55057 29.67550 1.000 33.12360 ? 78  LYS A C   1 
ATOM   563 O O   . LYS A 1 78 ? -9.88806  -1.03246 28.62274 1.000 36.28547 ? 78  LYS A O   1 
ATOM   564 C CB  . LYS A 1 78 ? -9.93608  -1.52792 31.93813 1.000 30.61400 ? 78  LYS A CB  1 
ATOM   565 C CG  . LYS A 1 78 ? -11.36157 -1.84867 31.50491 1.000 41.29776 ? 78  LYS A CG  1 
ATOM   566 C CD  . LYS A 1 78 ? -12.37256 -1.20994 32.44974 1.000 43.20205 ? 78  LYS A CD  1 
ATOM   567 C CE  . LYS A 1 78 ? -13.21714 -2.25121 33.16299 1.000 41.90690 ? 78  LYS A CE  1 
ATOM   568 N NZ  . LYS A 1 78 ? -14.22745 -2.86355 32.25947 1.000 52.48355 ? 78  LYS A NZ  1 
ATOM   569 N N   . ASP A 1 79 ? -9.40158  0.76631  29.88912 1.000 31.92122 ? 79  ASP A N   1 
ATOM   570 C CA  . ASP A 1 79 ? -9.95548  1.70308  28.91808 1.000 26.30071 ? 79  ASP A CA  1 
ATOM   571 C C   . ASP A 1 79 ? -9.17630  1.67987  27.60944 1.000 34.35602 ? 79  ASP A C   1 
ATOM   572 O O   . ASP A 1 79 ? -9.76982  1.76229  26.52816 1.000 36.94126 ? 79  ASP A O   1 
ATOM   573 C CB  . ASP A 1 79 ? -9.97678  3.11258  29.50686 1.000 27.84425 ? 79  ASP A CB  1 
ATOM   574 C CG  . ASP A 1 79 ? -10.96677 3.25158  30.64359 1.000 29.11758 ? 79  ASP A CG  1 
ATOM   575 O OD1 . ASP A 1 79 ? -11.65804 2.26010  30.95409 1.000 29.25768 ? 79  ASP A OD1 1 
ATOM   576 O OD2 . ASP A 1 79 ? -11.05538 4.35226  31.22437 1.000 28.98912 ? 79  ASP A OD2 1 
ATOM   577 N N   . GLN A 1 80 ? -7.84645  1.56298  27.68432 1.000 30.25571 ? 80  GLN A N   1 
ATOM   578 C CA  . GLN A 1 80 ? -7.03154  1.53005  26.47366 1.000 29.99206 ? 80  GLN A CA  1 
ATOM   579 C C   . GLN A 1 80 ? -7.37184  0.34519  25.58040 1.000 42.90983 ? 80  GLN A C   1 
ATOM   580 O O   . GLN A 1 80 ? -7.09394  0.39113  24.37671 1.000 47.92359 ? 80  GLN A O   1 
ATOM   581 C CB  . GLN A 1 80 ? -5.54641  1.50486  26.83771 1.000 30.03739 ? 80  GLN A CB  1 
ATOM   582 C CG  . GLN A 1 80 ? -5.03887  2.81924  27.39820 1.000 41.03499 ? 80  GLN A CG  1 
ATOM   583 C CD  . GLN A 1 80 ? -5.26109  3.97434  26.44233 1.000 54.18480 ? 80  GLN A CD  1 
ATOM   584 O OE1 . GLN A 1 80 ? -6.10235  4.84202  26.68044 1.000 53.60030 ? 80  GLN A OE1 1 
ATOM   585 N NE2 . GLN A 1 80 ? -4.50698  3.98907  25.34969 1.000 56.40129 ? 80  GLN A NE2 1 
ATOM   586 N N   . GLN A 1 81 ? -7.95992  -0.70764 26.14148 1.000 37.79473 ? 81  GLN A N   1 
ATOM   587 C CA  . GLN A 1 81 ? -8.47174  -1.82302 25.35778 1.000 45.78186 ? 81  GLN A CA  1 
ATOM   588 C C   . GLN A 1 81 ? -9.90998  -1.52848 24.93585 1.000 41.49536 ? 81  GLN A C   1 
ATOM   589 O O   . GLN A 1 81 ? -10.30323 -1.77766 23.79588 1.000 59.22642 ? 81  GLN A O   1 
ATOM   590 C CB  . GLN A 1 81 ? -8.40978  -3.12730 26.15772 1.000 46.65119 ? 81  GLN A CB  1 
ATOM   591 C CG  . GLN A 1 81 ? -7.02997  -3.48786 26.70135 1.000 48.52124 ? 81  GLN A CG  1 
ATOM   592 C CD  . GLN A 1 81 ? -7.07096  -4.68223 27.64218 1.000 63.58718 ? 81  GLN A CD  1 
ATOM   593 O OE1 . GLN A 1 81 ? -6.04346  -5.11010 28.17122 1.000 70.44237 ? 81  GLN A OE1 1 
ATOM   594 N NE2 . GLN A 1 81 ? -8.26509  -5.22426 27.85609 1.000 59.48987 ? 81  GLN A NE2 1 
HETATM 595 S S   . SO4 B 2 .  ? 6.71037   13.73290 81.84317 0.738 64.90163 ? 101 SO4 A S   1 
HETATM 596 O O1  . SO4 B 2 .  ? 7.89837   14.21855 81.07057 0.738 55.10498 ? 101 SO4 A O1  1 
HETATM 597 O O2  . SO4 B 2 .  ? 5.51175   14.56790 81.50748 0.738 62.16765 ? 101 SO4 A O2  1 
HETATM 598 O O3  . SO4 B 2 .  ? 6.44173   12.30287 81.48746 0.738 61.88713 ? 101 SO4 A O3  1 
HETATM 599 O O4  . SO4 B 2 .  ? 6.99651   13.83454 83.31095 0.738 69.38159 ? 101 SO4 A O4  1 
HETATM 600 C C1  . GOL C 3 .  ? 2.71312   7.31118  57.01255 0.937 43.20510 ? 102 GOL A C1  1 
HETATM 601 O O1  . GOL C 3 .  ? 3.48998   8.48501  56.98602 0.937 52.85994 ? 102 GOL A O1  1 
HETATM 602 C C2  . GOL C 3 .  ? 2.62087   6.75682  55.60804 0.937 45.31010 ? 102 GOL A C2  1 
HETATM 603 O O2  . GOL C 3 .  ? 3.12894   5.44259  55.58965 0.937 48.37920 ? 102 GOL A O2  1 
HETATM 604 C C3  . GOL C 3 .  ? 1.18537   6.81968  55.11869 0.937 40.38918 ? 102 GOL A C3  1 
HETATM 605 O O3  . GOL C 3 .  ? 0.86885   8.18503  54.95700 0.937 48.77210 ? 102 GOL A O3  1 
HETATM 606 O O   . HOH D 4 .  ? 3.29665   11.11373 82.76146 1.000 48.58233 ? 201 HOH A O   1 
HETATM 607 O O   . HOH D 4 .  ? 0.00000   -0.00000 70.94314 0.272 34.92220 ? 202 HOH A O   1 
HETATM 608 O O   . HOH D 4 .  ? -2.90998  5.77833  86.00761 1.000 33.45285 ? 203 HOH A O   1 
HETATM 609 O O   . HOH D 4 .  ? 10.48033  -3.94410 77.49306 1.000 50.96851 ? 204 HOH A O   1 
HETATM 610 O O   . HOH D 4 .  ? -4.36716  -5.45789 39.36540 1.000 21.75822 ? 205 HOH A O   1 
HETATM 611 O O   . HOH D 4 .  ? -4.34887  6.00280  23.85546 1.000 57.06456 ? 206 HOH A O   1 
HETATM 612 O O   . HOH D 4 .  ? 3.55875   15.22076 83.01535 1.000 49.34915 ? 207 HOH A O   1 
HETATM 613 O O   . HOH D 4 .  ? 6.27514   16.74837 80.39306 1.000 36.36403 ? 208 HOH A O   1 
HETATM 614 O O   . HOH D 4 .  ? -13.83021 1.34356  29.91387 1.000 45.96687 ? 209 HOH A O   1 
HETATM 615 O O   . HOH D 4 .  ? 6.37704   10.03142 78.69751 1.000 49.03620 ? 210 HOH A O   1 
HETATM 616 O O   . HOH D 4 .  ? -9.22242  4.53276  47.78888 1.000 41.37001 ? 211 HOH A O   1 
HETATM 617 O O   . HOH D 4 .  ? -5.68147  -3.28616 49.82332 1.000 37.87193 ? 212 HOH A O   1 
HETATM 618 O O   . HOH D 4 .  ? -8.83192  6.23415  41.55658 1.000 28.05945 ? 213 HOH A O   1 
HETATM 619 O O   . HOH D 4 .  ? -7.70157  5.72397  28.69975 1.000 38.08460 ? 214 HOH A O   1 
HETATM 620 O O   . HOH D 4 .  ? -12.04861 6.44183  29.71429 1.000 31.20104 ? 215 HOH A O   1 
HETATM 621 O O   . HOH D 4 .  ? 0.40030   4.60211  28.02691 1.000 30.91092 ? 216 HOH A O   1 
HETATM 622 O O   . HOH D 4 .  ? 8.98955   -6.40369 85.99748 1.000 34.49073 ? 217 HOH A O   1 
HETATM 623 O O   . HOH D 4 .  ? -7.84961  6.22318  35.44580 1.000 31.85437 ? 218 HOH A O   1 
HETATM 624 O O   . HOH D 4 .  ? 0.17884   7.54355  47.29786 1.000 33.32868 ? 219 HOH A O   1 
HETATM 625 O O   . HOH D 4 .  ? 4.65161   8.08406  44.82484 1.000 32.68618 ? 220 HOH A O   1 
HETATM 626 O O   . HOH D 4 .  ? -9.93897  5.77227  39.07661 1.000 27.03510 ? 221 HOH A O   1 
HETATM 627 O O   . HOH D 4 .  ? 15.23757  -4.44774 84.39314 1.000 48.41806 ? 222 HOH A O   1 
HETATM 628 O O   . HOH D 4 .  ? -4.14731  9.56790  68.81651 1.000 42.28091 ? 223 HOH A O   1 
HETATM 629 O O   . HOH D 4 .  ? -10.26853 -2.60574 38.31130 1.000 48.74549 ? 224 HOH A O   1 
HETATM 630 O O   . HOH D 4 .  ? 1.15595   11.29110 72.60364 1.000 45.53140 ? 225 HOH A O   1 
HETATM 631 O O   . HOH D 4 .  ? 2.834     12.311   84.708   1.000 48.46974 ? 226 HOH A O   1 
HETATM 632 O O   . HOH D 4 .  ? -5.60286  8.58112  42.66999 1.000 41.29198 ? 227 HOH A O   1 
HETATM 633 O O   . HOH D 4 .  ? -8.10356  8.36712  41.83809 1.000 37.58051 ? 228 HOH A O   1 
HETATM 634 O O   . HOH D 4 .  ? -5.224    -7.625   40.333   1.000 37.27078 ? 229 HOH A O   1 
HETATM 635 O O   . HOH D 4 .  ? -10.538   3.489    45.201   1.000 36.71802 ? 230 HOH A O   1 
HETATM 636 O O   . HOH D 4 .  ? -5.01136  -6.14607 36.61369 1.000 43.78833 ? 231 HOH A O   1 
HETATM 637 O O   . HOH D 4 .  ? -8.98984  7.79712  37.34918 1.000 35.82995 ? 232 HOH A O   1 
HETATM 638 O O   . HOH D 4 .  ? -4.81914  -5.15249 34.24156 1.000 46.52683 ? 233 HOH A O   1 
HETATM 639 O O   . HOH D 4 .  ? -7.67343  9.39033  38.58548 1.000 44.81685 ? 234 HOH A O   1 
HETATM 640 O O   . HOH D 4 .  ? -5.45474  9.58034  37.78376 1.000 51.46598 ? 235 HOH A 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   . SER A 3  ? 0.64848 0.80046 0.45977 -0.13187 0.17507  -0.06806 3  SER A N   
2   C CA  . SER A 3  ? 0.59333 0.78334 0.43187 -0.17275 0.17471  -0.05410 3  SER A CA  
3   C C   . SER A 3  ? 0.67901 0.81790 0.51034 -0.17293 0.13241  -0.05949 3  SER A C   
4   O O   . SER A 3  ? 0.68962 0.85244 0.56563 -0.16876 0.11678  -0.06219 3  SER A O   
5   C CB  . SER A 3  ? 0.68689 0.87428 0.50743 -0.21026 0.18122  -0.02855 3  SER A CB  
6   O OG  . SER A 3  ? 0.68746 0.89529 0.55146 -0.24462 0.16299  -0.00856 3  SER A OG  
7   N N   . LEU A 4  ? 0.74514 0.81558 0.51859 -0.17519 0.11336  -0.06170 4  LEU A N   
8   C CA  . LEU A 4  ? 0.61792 0.63911 0.37524 -0.16611 0.07792  -0.07338 4  LEU A CA  
9   C C   . LEU A 4  ? 0.64613 0.67434 0.40658 -0.13301 0.08122  -0.09580 4  LEU A C   
10  O O   . LEU A 4  ? 0.61738 0.64000 0.39417 -0.12617 0.05912  -0.10268 4  LEU A O   
11  C CB  . LEU A 4  ? 0.62085 0.57297 0.31496 -0.16642 0.06059  -0.07406 4  LEU A CB  
12  C CG  . LEU A 4  ? 0.70867 0.61524 0.38151 -0.14951 0.02926  -0.09118 4  LEU A CG  
13  C CD1 . LEU A 4  ? 0.75473 0.64822 0.45175 -0.17051 -0.00022 -0.08413 4  LEU A CD1 
14  C CD2 . LEU A 4  ? 0.77790 0.64368 0.43393 -0.12276 0.01600  -0.08583 4  LEU A CD2 
15  N N   . ILE A 5  ? 0.59420 0.62772 0.35399 -0.10733 0.09962  -0.09914 5  ILE A N   
16  C CA  . ILE A 5  ? 0.65150 0.68448 0.43530 -0.07259 0.09496  -0.10473 5  ILE A CA  
17  C C   . ILE A 5  ? 0.66413 0.74362 0.47410 -0.07722 0.10953  -0.11628 5  ILE A C   
18  O O   . ILE A 5  ? 0.58062 0.65181 0.39568 -0.06383 0.09539  -0.12533 5  ILE A O   
19  C CB  . ILE A 5  ? 0.59699 0.62548 0.38537 -0.04712 0.10233  -0.09663 5  ILE A CB  
20  C CG1 . ILE A 5  ? 0.55673 0.56173 0.32757 -0.04281 0.08939  -0.08813 5  ILE A CG1 
21  C CG2 . ILE A 5  ? 0.64225 0.65820 0.43934 -0.01895 0.09385  -0.09784 5  ILE A CG2 
22  C CD1 . ILE A 5  ? 0.51478 0.52226 0.28424 -0.03093 0.09645  -0.08597 5  ILE A CD1 
23  N N   . GLU A 6  ? 0.59071 0.72733 0.43150 -0.09120 0.13495  -0.10957 6  GLU A N   
24  C CA  . GLU A 6  ? 0.56231 0.75406 0.46723 -0.08316 0.13518  -0.10500 6  GLU A CA  
25  C C   . GLU A 6  ? 0.59058 0.77867 0.52080 -0.09889 0.09695  -0.09661 6  GLU A C   
26  O O   . GLU A 6  ? 0.50827 0.71780 0.47298 -0.08367 0.08327  -0.09912 6  GLU A O   
27  C CB  . GLU A 6  ? 0.57117 0.83193 0.51816 -0.09348 0.16534  -0.09194 6  GLU A CB  
28  C CG  . GLU A 6  ? 0.65430 0.90881 0.57770 -0.07076 0.19563  -0.09792 6  GLU A CG  
29  C CD  . GLU A 6  ? 0.77120 1.08988 0.73603 -0.07422 0.22238  -0.08368 6  GLU A CD  
30  O OE1 . GLU A 6  ? 0.73964 1.12888 0.75519 -0.10401 0.22637  -0.07091 6  GLU A OE1 
31  O OE2 . GLU A 6  ? 0.84148 1.14042 0.78952 -0.04873 0.23697  -0.08242 6  GLU A OE2 
32  N N   . GLU A 7  ? 0.56038 0.71558 0.46862 -0.12828 0.07714  -0.08712 7  GLU A N   
33  C CA  . GLU A 7  ? 0.53536 0.67517 0.45654 -0.14496 0.03831  -0.08261 7  GLU A CA  
34  C C   . GLU A 7  ? 0.53716 0.62549 0.42013 -0.12261 0.01573  -0.10039 7  GLU A C   
35  O O   . GLU A 7  ? 0.56015 0.65522 0.46390 -0.11956 -0.00936 -0.10196 7  GLU A O   
36  C CB  . GLU A 7  ? 0.60309 0.70787 0.50184 -0.18164 0.02328  -0.06897 7  GLU A CB  
37  C CG  . GLU A 7  ? 0.65542 0.72720 0.55340 -0.20127 -0.01959 -0.06780 7  GLU A CG  
38  C CD  . GLU A 7  ? 0.57197 0.71068 0.54108 -0.22043 -0.03208 -0.05604 7  GLU A CD  
39  O OE1 . GLU A 7  ? 0.68156 0.89140 0.70190 -0.23368 -0.00790 -0.04107 7  GLU A OE1 
40  O OE2 . GLU A 7  ? 0.72846 0.85355 0.70222 -0.22192 -0.06629 -0.06211 7  GLU A OE2 
41  N N   . LEU A 8  ? 0.54045 0.58226 0.36722 -0.10805 0.02410  -0.11323 8  LEU A N   
42  C CA  . LEU A 8  ? 0.60436 0.60668 0.39488 -0.08839 0.00804  -0.12953 8  LEU A CA  
43  C C   . LEU A 8  ? 0.53604 0.56132 0.34636 -0.06454 0.01630  -0.13558 8  LEU A C   
44  O O   . LEU A 8  ? 0.62285 0.62899 0.42072 -0.05451 -0.00400 -0.14200 8  LEU A O   
45  C CB  . LEU A 8  ? 0.59611 0.56230 0.36893 -0.06295 0.01250  -0.11949 8  LEU A CB  
46  C CG  . LEU A 8  ? 0.61520 0.55201 0.37049 -0.07095 -0.00128 -0.11359 8  LEU A CG  
47  C CD1 . LEU A 8  ? 0.59088 0.52595 0.35043 -0.04313 0.00428  -0.10567 8  LEU A CD1 
48  C CD2 . LEU A 8  ? 0.62286 0.53808 0.37955 -0.06579 -0.03065 -0.11685 8  LEU A CD2 
49  N N   . ILE A 9  ? 0.55749 0.61886 0.39323 -0.05388 0.04557  -0.13370 9  ILE A N   
50  C CA  . ILE A 9  ? 0.50063 0.57415 0.35178 -0.02751 0.05253  -0.13907 9  ILE A CA  
51  C C   . ILE A 9  ? 0.49584 0.60647 0.39935 -0.02550 0.02983  -0.12887 9  ILE A C   
52  O O   . ILE A 9  ? 0.58620 0.68335 0.48540 -0.00771 0.01405  -0.13188 9  ILE A O   
53  C CB  . ILE A 9  ? 0.51830 0.61542 0.37843 -0.01320 0.08983  -0.14273 9  ILE A CB  
54  C CG1 . ILE A 9  ? 0.53354 0.57062 0.35690 -0.00358 0.08951  -0.12983 9  ILE A CG1 
55  C CG2 . ILE A 9  ? 0.44860 0.56517 0.33884 0.01627  0.09492  -0.14472 9  ILE A CG2 
56  C CD1 . ILE A 9  ? 0.49625 0.53876 0.32387 0.00978  0.11175  -0.12338 9  ILE A CD1 
57  N N   . ARG A 10 ? 0.44451 0.60391 0.39693 -0.04606 0.02629  -0.11518 10 ARG A N   
58  C CA  . ARG A 10 ? 0.44450 0.65063 0.45298 -0.04789 0.00186  -0.10493 10 ARG A CA  
59  C C   . ARG A 10 ? 0.50335 0.66819 0.48461 -0.05830 -0.03920 -0.10745 10 ARG A C   
60  O O   . ARG A 10 ? 0.47332 0.65053 0.47214 -0.04485 -0.06198 -0.10588 10 ARG A O   
61  C CB  . ARG A 10 ? 0.43167 0.70420 0.49846 -0.07559 0.00791  -0.08888 10 ARG A CB  
62  C CG  . ARG A 10 ? 0.56176 0.88909 0.66095 -0.06137 0.05014  -0.08670 10 ARG A CG  
63  C CD  . ARG A 10 ? 0.49424 0.90346 0.65940 -0.08959 0.05742  -0.06855 10 ARG A CD  
64  N NE  . ARG A 10 ? 0.67375 1.14328 0.87016 -0.07055 0.10058  -0.06851 10 ARG A NE  
65  C CZ  . ARG A 10 ? 0.65845 1.21686 0.91760 -0.08800 0.11814  -0.05371 10 ARG A CZ  
66  N NH1 . ARG A 10 ? 0.62447 1.22216 0.92487 -0.12998 0.09481  -0.03586 10 ARG A NH1 
67  N NH2 . ARG A 10 ? 0.67703 1.28691 0.95623 -0.06435 0.16058  -0.05759 10 ARG A NH2 
68  N N   . ARG A 11 ? 0.53098 0.64482 0.46550 -0.07945 -0.04982 -0.11195 11 ARG A N   
69  C CA  . ARG A 11 ? 0.50093 0.56839 0.39809 -0.08482 -0.08563 -0.11910 11 ARG A CA  
70  C C   . ARG A 11 ? 0.55639 0.59242 0.41415 -0.05599 -0.08660 -0.13045 11 ARG A C   
71  O O   . ARG A 11 ? 0.65028 0.67570 0.49855 -0.05171 -0.11499 -0.13189 11 ARG A O   
72  C CB  . ARG A 11 ? 0.50412 0.51756 0.35306 -0.10442 -0.09256 -0.12460 11 ARG A CB  
73  C CG  . ARG A 11 ? 0.67179 0.69372 0.54609 -0.14089 -0.11052 -0.11234 11 ARG A CG  
74  C CD  . ARG A 11 ? 0.75430 0.72012 0.58124 -0.15579 -0.10884 -0.11422 11 ARG A CD  
75  N NE  . ARG A 11 ? 0.74889 0.72301 0.60171 -0.19504 -0.11957 -0.09765 11 ARG A NE  
76  C CZ  . ARG A 11 ? 0.74511 0.68683 0.59014 -0.22007 -0.15536 -0.09662 11 ARG A CZ  
77  N NH1 . ARG A 11 ? 0.78908 0.69881 0.61680 -0.18944 -0.16956 -0.10742 11 ARG A NH1 
78  N NH2 . ARG A 11 ? 0.87474 0.82648 0.74482 -0.26290 -0.16354 -0.07916 11 ARG A NH2 
79  N N   . SER A 12 ? 0.58109 0.60080 0.41198 -0.03910 -0.05667 -0.13781 12 SER A N   
80  C CA  . SER A 12 ? 0.66135 0.65138 0.45512 -0.01715 -0.05514 -0.14578 12 SER A CA  
81  C C   . SER A 12 ? 0.63782 0.65528 0.46765 0.00300  -0.06054 -0.13731 12 SER A C   
82  O O   . SER A 12 ? 0.62717 0.62107 0.43205 0.01477  -0.07826 -0.13749 12 SER A O   
83  C CB  . SER A 12 ? 0.59049 0.54718 0.36201 -0.00962 -0.02107 -0.13739 12 SER A CB  
84  O OG  . SER A 12 ? 0.54518 0.47616 0.31036 -0.00975 -0.02208 -0.12362 12 SER A OG  
85  N N   . GLU A 13 ? 0.42288 0.49150 0.30975 0.00931  -0.04511 -0.12924 13 GLU A N   
86  C CA  . GLU A 13 ? 0.49323 0.59512 0.42145 0.03453  -0.05176 -0.12109 13 GLU A CA  
87  C C   . GLU A 13 ? 0.58577 0.70922 0.53784 0.02708  -0.09321 -0.11209 13 GLU A C   
88  O O   . GLU A 13 ? 0.54466 0.66689 0.49900 0.04938  -0.11129 -0.10696 13 GLU A O   
89  C CB  . GLU A 13 ? 0.51455 0.67847 0.50326 0.04400  -0.02469 -0.11612 13 GLU A CB  
90  C CG  . GLU A 13 ? 0.57011 0.71045 0.53384 0.06488  0.01341  -0.12644 13 GLU A CG  
91  C CD  . GLU A 13 ? 0.75134 0.86289 0.70124 0.10162  0.01246  -0.12856 13 GLU A CD  
92  O OE1 . GLU A 13 ? 0.68392 0.74067 0.58303 0.11133  0.03189  -0.13941 13 GLU A OE1 
93  O OE2 . GLU A 13 ? 0.71944 0.86077 0.70732 0.11983  -0.00998 -0.11856 13 GLU A OE2 
94  N N   . GLU A 14 ? 0.50693 0.64466 0.47184 -0.00503 -0.11107 -0.10980 14 GLU A N   
95  C CA  . GLU A 14 ? 0.49902 0.65298 0.48066 -0.01732 -0.15378 -0.10369 14 GLU A CA  
96  C C   . GLU A 14 ? 0.60201 0.69228 0.51382 -0.01177 -0.17716 -0.11208 14 GLU A C   
97  O O   . GLU A 14 ? 0.65595 0.75207 0.56922 0.00125  -0.20443 -0.10638 14 GLU A O   
98  C CB  . GLU A 14 ? 0.56189 0.73380 0.56552 -0.05770 -0.16746 -0.10050 14 GLU A CB  
99  C CG  . GLU A 14 ? 0.69150 0.94356 0.77361 -0.07007 -0.15116 -0.08727 14 GLU A CG  
100 C CD  . GLU A 14 ? 0.85735 1.11254 0.94916 -0.11661 -0.16197 -0.08207 14 GLU A CD  
101 O OE1 . GLU A 14 ? 0.86817 1.12546 0.96767 -0.14154 -0.20116 -0.07945 14 GLU A OE1 
102 O OE2 . GLU A 14 ? 0.80862 1.05851 0.89499 -0.12962 -0.13279 -0.08027 14 GLU A OE2 
103 N N   . GLN A 15 ? 0.60584 0.63926 0.45547 -0.02024 -0.16669 -0.12509 15 GLN A N   
104 C CA  . GLN A 15 ? 0.68471 0.66747 0.47371 -0.01667 -0.17489 -0.12881 15 GLN A CA  
105 C C   . GLN A 15 ? 0.64491 0.61076 0.40907 0.01129  -0.17039 -0.12722 15 GLN A C   
106 O O   . GLN A 15 ? 0.68100 0.62805 0.42295 0.01354  -0.17859 -0.11837 15 GLN A O   
107 C CB  . GLN A 15 ? 0.56071 0.51860 0.32970 -0.03028 -0.13685 -0.12755 15 GLN A CB  
108 C CG  . GLN A 15 ? 0.73865 0.68434 0.49101 -0.03031 -0.12689 -0.12306 15 GLN A CG  
109 C CD  . GLN A 15 ? 0.70663 0.65397 0.45976 -0.03898 -0.15306 -0.12399 15 GLN A CD  
110 O OE1 . GLN A 15 ? 0.65451 0.60249 0.41745 -0.05114 -0.15698 -0.12877 15 GLN A OE1 
111 N NE2 . GLN A 15 ? 0.69417 0.63809 0.43390 -0.03214 -0.17206 -0.11971 15 GLN A NE2 
112 N N   . GLN A 16 ? 0.61284 0.58723 0.39235 0.02869  -0.14316 -0.12709 16 GLN A N   
113 C CA  . GLN A 16 ? 0.62453 0.57307 0.38041 0.05400  -0.13649 -0.12210 16 GLN A CA  
114 C C   . GLN A 16 ? 0.62889 0.60112 0.41428 0.07171  -0.16748 -0.10766 16 GLN A C   
115 O O   . GLN A 16 ? 0.69069 0.62665 0.43297 0.08390  -0.18332 -0.10181 16 GLN A O   
116 C CB  . GLN A 16 ? 0.58725 0.53811 0.35930 0.06832  -0.09892 -0.12424 16 GLN A CB  
117 C CG  . GLN A 16 ? 0.65848 0.56565 0.39644 0.09231  -0.09092 -0.12051 16 GLN A CG  
118 C CD  . GLN A 16 ? 0.65080 0.49915 0.31142 0.07997  -0.08962 -0.12569 16 GLN A CD  
119 O OE1 . GLN A 16 ? 0.66695 0.53185 0.34641 0.04869  -0.07019 -0.12121 16 GLN A OE1 
120 N NE2 . GLN A 16 ? 0.74757 0.55352 0.37080 0.09408  -0.09777 -0.11642 16 GLN A NE2 
121 N N   . ARG A 17 ? 0.61730 0.65445 0.47627 0.07218  -0.17735 -0.10030 17 ARG A N   
122 C CA  . ARG A 17 ? 0.57118 0.64506 0.46772 0.08985  -0.21033 -0.08623 17 ARG A CA  
123 C C   . ARG A 17 ? 0.66371 0.71841 0.52228 0.07379  -0.25235 -0.08538 17 ARG A C   
124 O O   . ARG A 17 ? 0.72330 0.76992 0.56712 0.09234  -0.27960 -0.07478 17 ARG A O   
125 C CB  . ARG A 17 ? 0.59851 0.76065 0.58813 0.08813  -0.21081 -0.07929 17 ARG A CB  
126 C CG  . ARG A 17 ? 0.67400 0.86592 0.70617 0.11782  -0.17495 -0.07783 17 ARG A CG  
127 C CD  . ARG A 17 ? 0.67374 0.96783 0.80245 0.11796  -0.17752 -0.06905 17 ARG A CD  
128 N NE  . ARG A 17 ? 0.68330 1.00764 0.83441 0.07487  -0.16888 -0.07212 17 ARG A NE  
129 C CZ  . ARG A 17 ? 0.74668 1.09113 0.91663 0.06795  -0.12956 -0.07631 17 ARG A CZ  
130 N NH1 . ARG A 17 ? 0.65703 0.99765 0.82767 0.10131  -0.09424 -0.08111 17 ARG A NH1 
131 N NH2 . ARG A 17 ? 0.69670 1.05975 0.87930 0.02622  -0.12665 -0.07564 17 ARG A NH2 
132 N N   . ARG A 18 ? 0.66930 0.71225 0.50684 0.04111  -0.25943 -0.09677 18 ARG A N   
133 C CA  . ARG A 18 ? 0.72702 0.74786 0.52875 0.02378  -0.28533 -0.09560 18 ARG A CA  
134 C C   . ARG A 18 ? 0.75159 0.71579 0.48866 0.03284  -0.26702 -0.09229 18 ARG A C   
135 O O   . ARG A 18 ? 0.78210 0.73925 0.50086 0.03537  -0.28509 -0.08334 18 ARG A O   
136 C CB  . ARG A 18 ? 0.72945 0.74516 0.53142 -0.01106 -0.27134 -0.10281 18 ARG A CB  
137 C CG  . ARG A 18 ? 0.77778 0.84159 0.63881 -0.02999 -0.28342 -0.10506 18 ARG A CG  
138 C CD  . ARG A 18 ? 0.97669 1.10391 0.89781 -0.03894 -0.32250 -0.09417 18 ARG A CD  
139 N NE  . ARG A 18 ? 0.88949 1.07515 0.86927 -0.00801 -0.32933 -0.08281 18 ARG A NE  
140 C CZ  . ARG A 18 ? 0.91377 1.12131 0.90409 0.01359  -0.35971 -0.07201 18 ARG A CZ  
141 N NH1 . ARG A 18 ? 0.87831 1.05688 0.82490 0.00140  -0.37753 -0.06870 18 ARG A NH1 
142 N NH2 . ARG A 18 ? 0.82093 1.07835 0.86652 0.04781  -0.34938 -0.05908 18 ARG A NH2 
143 N N   . ASN A 19 ? 0.73227 0.66283 0.43975 0.03486  -0.23004 -0.09833 19 ASN A N   
144 C CA  . ASN A 19 ? 0.75426 0.64553 0.41560 0.03738  -0.21038 -0.09306 19 ASN A CA  
145 C C   . ASN A 19 ? 0.71663 0.58445 0.35116 0.06510  -0.23129 -0.08221 19 ASN A C   
146 O O   . ASN A 19 ? 0.81770 0.66232 0.41838 0.06517  -0.23693 -0.07266 19 ASN A O   
147 C CB  . ASN A 19 ? 0.69696 0.57598 0.35275 0.02892  -0.16654 -0.09850 19 ASN A CB  
148 C CG  . ASN A 19 ? 0.62690 0.52844 0.30725 0.00694  -0.14694 -0.10499 19 ASN A CG  
149 O OD1 . ASN A 19 ? 0.66511 0.57822 0.35325 -0.00270 -0.16278 -0.10699 19 ASN A OD1 
150 N ND2 . ASN A 19 ? 0.64559 0.55374 0.33845 0.00017  -0.11403 -0.10792 19 ASN A ND2 
151 N N   . GLU A 20 ? 0.74405 0.61960 0.39262 0.09289  -0.24342 -0.08315 20 GLU A N   
152 C CA  . GLU A 20 ? 0.74362 0.59864 0.38152 0.12492  -0.25607 -0.06658 20 GLU A CA  
153 C C   . GLU A 20 ? 0.82596 0.71111 0.48350 0.13585  -0.30331 -0.05253 20 GLU A C   
154 O O   . GLU A 20 ? 0.92209 0.77390 0.54396 0.15310  -0.31940 -0.03658 20 GLU A O   
155 C CB  . GLU A 20 ? 0.72405 0.59838 0.41697 0.14873  -0.22854 -0.06490 20 GLU A CB  
156 C CG  . GLU A 20 ? 0.71221 0.54087 0.36939 0.14267  -0.18568 -0.07591 20 GLU A CG  
157 C CD  . GLU A 20 ? 0.68669 0.54487 0.40121 0.15969  -0.15644 -0.08111 20 GLU A CD  
158 O OE1 . GLU A 20 ? 0.68125 0.59907 0.46582 0.17915  -0.16709 -0.07483 20 GLU A OE1 
159 O OE2 . GLU A 20 ? 0.73762 0.56427 0.42715 0.15301  -0.12269 -0.09209 20 GLU A OE2 
160 N N   . GLU A 21 ? 0.75688 0.70496 0.47312 0.12155  -0.32357 -0.05659 21 GLU A N   
161 C CA  . GLU A 21 ? 0.78162 0.76553 0.52576 0.12094  -0.35837 -0.04273 21 GLU A CA  
162 C C   . GLU A 21 ? 0.86105 0.81098 0.55206 0.09251  -0.35441 -0.04318 21 GLU A C   
163 O O   . GLU A 21 ? 0.88172 0.82912 0.55668 0.09961  -0.37718 -0.02991 21 GLU A O   
164 C CB  . GLU A 21 ? 0.74787 0.81496 0.57705 0.10833  -0.37720 -0.04505 21 GLU A CB  
165 C CG  . GLU A 21 ? 0.83388 0.96293 0.72156 0.12976  -0.41241 -0.02657 21 GLU A CG  
166 C CD  . GLU A 21 ? 0.77180 0.97466 0.72164 0.09739  -0.43325 -0.02584 21 GLU A CD  
167 O OE1 . GLU A 21 ? 0.85926 1.07515 0.82659 0.06530  -0.42057 -0.03898 21 GLU A OE1 
168 O OE2 . GLU A 21 ? 0.87507 1.12089 0.85247 0.10269  -0.46237 -0.01109 21 GLU A OE2 
169 N N   . ALA A 22 ? 0.92682 0.85691 0.59521 0.06438  -0.32411 -0.05804 22 ALA A N   
170 C CA  . ALA A 22 ? 0.80537 0.71405 0.43269 0.04590  -0.31557 -0.06044 22 ALA A CA  
171 C C   . ALA A 22 ? 0.89013 0.75170 0.46106 0.05645  -0.30222 -0.05206 22 ALA A C   
172 O O   . ALA A 22 ? 0.97121 0.82299 0.50984 0.05277  -0.31183 -0.04633 22 ALA A O   
173 C CB  . ALA A 22 ? 0.80793 0.71755 0.43894 0.02182  -0.28527 -0.07674 22 ALA A CB  
174 N N   . LEU A 23 ? 0.85719 0.68900 0.41294 0.06737  -0.27998 -0.05152 23 LEU A N   
175 C CA  . LEU A 23 ? 0.88722 0.67040 0.38946 0.07732  -0.27302 -0.03953 23 LEU A CA  
176 C C   . LEU A 23 ? 1.04656 0.81977 0.53565 0.10090  -0.31155 -0.02024 23 LEU A C   
177 O O   . LEU A 23 ? 1.03901 0.77812 0.47964 0.10122  -0.31441 -0.00796 23 LEU A O   
178 C CB  . LEU A 23 ? 0.91694 0.66784 0.40691 0.08639  -0.24786 -0.04190 23 LEU A CB  
179 C CG  . LEU A 23 ? 0.99329 0.68424 0.42382 0.09119  -0.23721 -0.02909 23 LEU A CG  
180 C CD1 . LEU A 23 ? 1.03670 0.73152 0.44533 0.06442  -0.21686 -0.02960 23 LEU A CD1 
181 C CD2 . LEU A 23 ? 1.07391 0.73323 0.49384 0.09644  -0.21144 -0.03434 23 LEU A CD2 
182 N N   . ARG A 24 ? 1.06894 0.88004 0.60795 0.12106  -0.34094 -0.01568 24 ARG A N   
183 C CA  . ARG A 24 ? 1.13273 0.95555 0.68201 0.14633  -0.37852 0.00449  24 ARG A CA  
184 C C   . ARG A 24 ? 1.02926 0.90831 0.61159 0.12949  -0.40531 0.00397  24 ARG A C   
185 O O   . ARG A 24 ? 1.15711 1.02397 0.70152 0.11987  -0.41567 0.01005  24 ARG A O   
186 C CB  . ARG A 24 ? 1.04631 0.89057 0.64612 0.18633  -0.39121 0.01238  24 ARG A CB  
187 C CG  . ARG A 24 ? 1.06040 0.83625 0.61597 0.20967  -0.36896 0.01609  24 ARG A CG  
188 C CD  . ARG A 24 ? 1.02880 0.83438 0.64369 0.24877  -0.36785 0.01475  24 ARG A CD  
189 N NE  . ARG A 24 ? 1.00102 0.73571 0.57794 0.26142  -0.33115 0.01493  24 ARG A NE  
190 C CZ  . ARG A 24 ? 0.99172 0.70113 0.54732 0.23569  -0.28994 -0.00248 24 ARG A CZ  
191 N NH1 . ARG A 24 ? 0.92674 0.67208 0.49308 0.20012  -0.27876 -0.02057 24 ARG A NH1 
192 N NH2 . ARG A 24 ? 1.11521 0.75877 0.63569 0.24632  -0.26143 -0.00184 24 ARG A NH2 
193 N N   . GLN A 33 ? 1.10501 0.95196 0.59831 -0.01049 -0.20939 -0.13167 33 GLN A N   
194 C CA  . GLN A 33 ? 1.06519 0.92169 0.60021 -0.01581 -0.21703 -0.13101 33 GLN A CA  
195 C C   . GLN A 33 ? 1.01253 0.88273 0.57834 -0.01286 -0.19751 -0.12200 33 GLN A C   
196 O O   . GLN A 33 ? 0.98864 0.86464 0.58444 -0.01588 -0.18812 -0.12472 33 GLN A O   
197 C CB  . GLN A 33 ? 1.21245 1.08243 0.75446 -0.02219 -0.24973 -0.12685 33 GLN A CB  
198 C CG  . GLN A 33 ? 1.18771 1.07877 0.77497 -0.03195 -0.25973 -0.12717 33 GLN A CG  
199 C CD  . GLN A 33 ? 1.34198 1.21416 0.93045 -0.04082 -0.26132 -0.14080 33 GLN A CD  
200 O OE1 . GLN A 33 ? 1.32778 1.17863 0.88688 -0.04419 -0.27647 -0.15044 33 GLN A OE1 
201 N NE2 . GLN A 33 ? 1.25158 1.12791 0.86978 -0.04433 -0.24673 -0.14165 33 GLN A NE2 
202 N N   . LEU A 34 ? 0.85484 1.02129 0.32221 -0.00936 -0.08490 -0.05875 34 LEU A N   
203 C CA  . LEU A 34 ? 0.80533 0.97932 0.30047 -0.00439 -0.08203 -0.04494 34 LEU A CA  
204 C C   . LEU A 34 ? 0.73834 0.89527 0.23608 -0.00090 -0.06644 -0.04412 34 LEU A C   
205 O O   . LEU A 34 ? 0.70792 0.86384 0.22765 -0.00141 -0.06390 -0.04152 34 LEU A O   
206 C CB  . LEU A 34 ? 0.75579 0.94154 0.25086 0.00485  -0.08614 -0.02570 34 LEU A CB  
207 C CG  . LEU A 34 ? 0.84610 1.02961 0.35946 0.01149  -0.08431 -0.00926 34 LEU A CG  
208 C CD1 . LEU A 34 ? 0.76128 0.95794 0.30222 0.01043  -0.09253 -0.01309 34 LEU A CD1 
209 C CD2 . LEU A 34 ? 0.78209 0.96239 0.28067 0.02003  -0.08946 0.00910  34 LEU A CD2 
210 N N   . LEU A 35 ? 0.78022 0.92745 0.25670 0.00353  -0.05568 -0.04644 35 LEU A N   
211 C CA  . LEU A 35 ? 0.74787 0.88729 0.22898 0.00887  -0.04023 -0.04567 35 LEU A CA  
212 C C   . LEU A 35 ? 0.81662 0.93626 0.30014 0.00661  -0.03848 -0.06188 35 LEU A C   
213 O O   . LEU A 35 ? 0.71570 0.83378 0.21743 0.00952  -0.03084 -0.05865 35 LEU A O   
214 C CB  . LEU A 35 ? 0.86727 1.00764 0.32588 0.01532  -0.02936 -0.04662 35 LEU A CB  
215 C CG  . LEU A 35 ? 0.77987 0.93753 0.23730 0.01640  -0.02557 -0.02699 35 LEU A CG  
216 C CD1 . LEU A 35 ? 0.94636 1.11133 0.38418 0.02190  -0.01379 -0.02969 35 LEU A CD1 
217 C CD2 . LEU A 35 ? 0.89578 1.05872 0.37661 0.01470  -0.02044 -0.01054 35 LEU A CD2 
218 N N   . SER A 36 ? 0.77240 0.87292 0.23418 0.00021  -0.04622 -0.07911 36 SER A N   
219 C CA  . SER A 36 ? 0.86692 0.93825 0.32244 -0.00465 -0.04667 -0.09453 36 SER A CA  
220 C C   . SER A 36 ? 0.80974 0.89315 0.29847 -0.01288 -0.05258 -0.08946 36 SER A C   
221 O O   . SER A 36 ? 0.76143 0.83125 0.25931 -0.01156 -0.04636 -0.09239 36 SER A O   
222 C CB  . SER A 36 ? 0.95864 1.00205 0.37917 -0.01338 -0.05706 -0.11240 36 SER A CB  
223 O OG  . SER A 36 ? 1.09113 1.15470 0.52819 -0.02774 -0.07229 -0.11196 36 SER A OG  
224 N N   . GLY A 37 ? 0.72469 0.83526 0.23144 -0.02038 -0.06448 -0.08200 37 GLY A N   
225 C CA  . GLY A 37 ? 0.73956 0.86698 0.27885 -0.02687 -0.06980 -0.07652 37 GLY A CA  
226 C C   . GLY A 37 ? 0.67210 0.80624 0.23305 -0.01636 -0.06045 -0.06190 37 GLY A C   
227 O O   . GLY A 37 ? 0.62650 0.76012 0.20748 -0.01967 -0.05939 -0.06172 37 GLY A O   
228 N N   . ILE A 38 ? 0.65434 0.79405 0.21005 -0.00568 -0.05380 -0.04899 38 ILE A N   
229 C CA  . ILE A 38 ? 0.62799 0.77057 0.19979 0.00115  -0.04470 -0.03421 38 ILE A CA  
230 C C   . ILE A 38 ? 0.63083 0.75882 0.20390 0.00378  -0.03200 -0.04225 38 ILE A C   
231 O O   . ILE A 38 ? 0.67171 0.80050 0.26474 0.00455  -0.02790 -0.03683 38 ILE A O   
232 C CB  . ILE A 38 ? 0.64151 0.78992 0.20199 0.00668  -0.04055 -0.01857 38 ILE A CB  
233 C CG1 . ILE A 38 ? 0.64700 0.80405 0.20770 0.00814  -0.05378 -0.00682 38 ILE A CG1 
234 C CG2 . ILE A 38 ? 0.65439 0.80198 0.22448 0.00892  -0.02806 -0.00586 38 ILE A CG2 
235 C CD1 . ILE A 38 ? 0.72286 0.87817 0.26242 0.01098  -0.05222 0.00649  38 ILE A CD1 
236 N N   . VAL A 39 ? 0.64937 0.76199 0.19891 0.00734  -0.02607 -0.05566 39 VAL A N   
237 C CA  . VAL A 39 ? 0.65051 0.74614 0.19695 0.01501  -0.01471 -0.06471 39 VAL A CA  
238 C C   . VAL A 39 ? 0.64334 0.71878 0.19437 0.00750  -0.02030 -0.07626 39 VAL A C   
239 O O   . VAL A 39 ? 0.64548 0.71607 0.21066 0.01234  -0.01351 -0.07552 39 VAL A O   
240 C CB  . VAL A 39 ? 0.69246 0.77246 0.20762 0.02363  -0.00839 -0.07702 39 VAL A CB  
241 C CG1 . VAL A 39 ? 0.73718 0.79515 0.24644 0.03503  0.00137  -0.08825 39 VAL A CG1 
242 C CG2 . VAL A 39 ? 0.69934 0.80564 0.21389 0.02988  -0.00081 -0.06447 39 VAL A CG2 
243 N N   . GLN A 40 ? 0.66191 0.72693 0.20143 -0.00637 -0.03302 -0.08647 40 GLN A N   
244 C CA  . GLN A 40 ? 0.65880 0.70651 0.20317 -0.02034 -0.03924 -0.09610 40 GLN A CA  
245 C C   . GLN A 40 ? 0.61071 0.68152 0.19705 -0.02381 -0.04027 -0.08239 40 GLN A C   
246 O O   . GLN A 40 ? 0.63777 0.69073 0.23878 -0.02673 -0.03705 -0.08423 40 GLN A O   
247 C CB  . GLN A 40 ? 0.75906 0.80009 0.28963 -0.03793 -0.05333 -0.10605 40 GLN A CB  
248 C CG  . GLN A 40 ? 0.91216 0.91340 0.42665 -0.05198 -0.05715 -0.12144 40 GLN A CG  
249 C CD  . GLN A 40 ? 0.92672 0.93809 0.47170 -0.06866 -0.06077 -0.11705 40 GLN A CD  
250 O OE1 . GLN A 40 ? 0.95011 0.92924 0.49144 -0.07084 -0.05585 -0.12161 40 GLN A OE1 
251 N NE2 . GLN A 40 ? 0.93270 0.98935 0.50692 -0.07816 -0.06952 -0.10812 40 GLN A NE2 
252 N N   . GLN A 41 ? 0.58956 0.69395 0.19346 -0.02121 -0.04508 -0.06784 41 GLN A N   
253 C CA  . GLN A 41 ? 0.55140 0.67034 0.19123 -0.01964 -0.04639 -0.05418 41 GLN A CA  
254 C C   . GLN A 41 ? 0.59625 0.70156 0.25119 -0.00997 -0.03312 -0.04630 41 GLN A C   
255 O O   . GLN A 41 ? 0.54002 0.64222 0.22076 -0.01147 -0.03222 -0.04216 41 GLN A O   
256 C CB  . GLN A 41 ? 0.58479 0.73169 0.22850 -0.01340 -0.05444 -0.04002 41 GLN A CB  
257 C CG  . GLN A 41 ? 0.60905 0.76271 0.28035 -0.00652 -0.05599 -0.02523 41 GLN A CG  
258 C CD  . GLN A 41 ? 0.65002 0.82150 0.34287 -0.01254 -0.06570 -0.02994 41 GLN A CD  
259 O OE1 . GLN A 41 ? 0.57227 0.73842 0.26948 -0.02606 -0.06526 -0.04265 41 GLN A OE1 
260 N NE2 . GLN A 41 ? 0.62078 0.81331 0.32331 -0.00193 -0.07488 -0.01951 41 GLN A NE2 
261 N N   . GLN A 42 ? 0.54317 0.64571 0.18222 -0.00034 -0.02272 -0.04427 42 GLN A N   
262 C CA  . GLN A 42 ? 0.63108 0.73045 0.28385 0.00751  -0.01009 -0.03739 42 GLN A CA  
263 C C   . GLN A 42 ? 0.61663 0.69107 0.27147 0.00940  -0.00535 -0.05023 42 GLN A C   
264 O O   . GLN A 42 ? 0.55449 0.62707 0.23114 0.01255  0.00086  -0.04445 42 GLN A O   
265 C CB  . GLN A 42 ? 0.55859 0.67252 0.19264 0.01640  0.00005  -0.03291 42 GLN A CB  
266 C CG  . GLN A 42 ? 0.67795 0.81142 0.30811 0.01279  -0.00298 -0.01565 42 GLN A CG  
267 C CD  . GLN A 42 ? 0.64996 0.79828 0.27013 0.01637  0.00860  -0.00834 42 GLN A CD  
268 O OE1 . GLN A 42 ? 0.72916 0.87751 0.33547 0.02424  0.01504  -0.01965 42 GLN A OE1 
269 N NE2 . GLN A 42 ? 0.62860 0.78590 0.25581 0.00939  0.01073  0.01067  42 GLN A NE2 
270 N N   . ASN A 43 ? 0.55918 0.60991 0.18677 0.00703  -0.00890 -0.06748 43 ASN A N   
271 C CA  . ASN A 43 ? 0.60490 0.62050 0.22569 0.00715  -0.00691 -0.07940 43 ASN A CA  
272 C C   . ASN A 43 ? 0.56478 0.57771 0.21100 -0.00941 -0.01469 -0.07703 43 ASN A C   
273 O O   . ASN A 43 ? 0.53800 0.53260 0.19494 -0.00850 -0.01079 -0.07801 43 ASN A O   
274 C CB  . ASN A 43 ? 0.62536 0.60560 0.19930 0.00705  -0.01025 -0.09848 43 ASN A CB  
275 C CG  . ASN A 43 ? 0.70131 0.63373 0.25394 0.01386  -0.00664 -0.11057 43 ASN A CG  
276 O OD1 . ASN A 43 ? 0.75181 0.68182 0.30329 0.03597  0.00421  -0.10997 43 ASN A OD1 
277 N ND2 . ASN A 43 ? 0.76208 0.65703 0.29430 -0.00569 -0.01630 -0.12135 43 ASN A ND2 
278 N N   . ASN A 44 ? 0.53940 0.57518 0.19504 -0.02298 -0.02572 -0.07374 44 ASN A N   
279 C CA  . ASN A 44 ? 0.51491 0.56203 0.19752 -0.03617 -0.03271 -0.07043 44 ASN A CA  
280 C C   . ASN A 44 ? 0.51387 0.57140 0.23050 -0.02627 -0.02646 -0.05646 44 ASN A C   
281 O O   . ASN A 44 ? 0.47029 0.51937 0.20376 -0.03133 -0.02559 -0.05690 44 ASN A O   
282 C CB  . ASN A 44 ? 0.51606 0.59840 0.20316 -0.04594 -0.04544 -0.06835 44 ASN A CB  
283 C CG  . ASN A 44 ? 0.60298 0.67743 0.25761 -0.06279 -0.05381 -0.08329 44 ASN A CG  
284 O OD1 . ASN A 44 ? 0.74893 0.78388 0.37728 -0.07214 -0.05216 -0.09605 44 ASN A OD1 
285 N ND2 . ASN A 44 ? 0.64593 0.75471 0.29784 -0.06679 -0.06388 -0.08186 44 ASN A ND2 
286 N N   . LEU A 45 ? 0.46230 0.53574 0.18562 -0.01433 -0.02246 -0.04373 45 LEU A N   
287 C CA  . LEU A 45 ? 0.43205 0.51069 0.18141 -0.00808 -0.01777 -0.03027 45 LEU A CA  
288 C C   . LEU A 45 ? 0.50979 0.57136 0.26288 -0.00223 -0.00610 -0.03244 45 LEU A C   
289 O O   . LEU A 45 ? 0.49210 0.55055 0.26736 -0.00231 -0.00389 -0.02771 45 LEU A O   
290 C CB  . LEU A 45 ? 0.46938 0.56231 0.21546 -0.00170 -0.01775 -0.01547 45 LEU A CB  
291 C CG  . LEU A 45 ? 0.47083 0.57977 0.20862 -0.00164 -0.02981 -0.01099 45 LEU A CG  
292 C CD1 . LEU A 45 ? 0.54874 0.65913 0.27552 0.00411  -0.02925 0.00548  45 LEU A CD1 
293 C CD2 . LEU A 45 ? 0.49786 0.61805 0.25535 -0.00285 -0.03982 -0.01119 45 LEU A CD2 
294 N N   . LEU A 46 ? 0.47221 0.52471 0.20213 0.00541  0.00111  -0.04013 46 LEU A N   
295 C CA  . LEU A 46 ? 0.45800 0.49934 0.18822 0.01631  0.01169  -0.04319 46 LEU A CA  
296 C C   . LEU A 46 ? 0.57245 0.58421 0.30448 0.01187  0.00938  -0.05242 46 LEU A C   
297 O O   . LEU A 46 ? 0.54115 0.54935 0.29021 0.01652  0.01458  -0.04879 46 LEU A O   
298 C CB  . LEU A 46 ? 0.48203 0.52130 0.18137 0.03029  0.01871  -0.05194 46 LEU A CB  
299 C CG  . LEU A 46 ? 0.57275 0.60852 0.26727 0.04876  0.02974  -0.05612 46 LEU A CG  
300 C CD1 . LEU A 46 ? 0.57206 0.63873 0.29900 0.04869  0.03640  -0.04076 46 LEU A CD1 
301 C CD2 . LEU A 46 ? 0.63618 0.67974 0.29858 0.06634  0.03624  -0.06434 46 LEU A CD2 
302 N N   . ARG A 47 ? 0.53618 0.52647 0.24795 0.00037  0.00115  -0.06401 47 ARG A N   
303 C CA  . ARG A 47 ? 0.48695 0.44762 0.19585 -0.01049 -0.00236 -0.07135 47 ARG A CA  
304 C C   . ARG A 47 ? 0.54628 0.52764 0.29379 -0.01910 -0.00484 -0.06097 47 ARG A C   
305 O O   . ARG A 47 ? 0.46181 0.42712 0.21816 -0.01951 -0.00190 -0.06102 47 ARG A O   
306 C CB  . ARG A 47 ? 0.52563 0.46562 0.20416 -0.02902 -0.01238 -0.08386 47 ARG A CB  
307 C CG  . ARG A 47 ? 0.57970 0.48202 0.20960 -0.02024 -0.01086 -0.09764 47 ARG A CG  
308 C CD  . ARG A 47 ? 0.71958 0.60700 0.31896 -0.04293 -0.02241 -0.10859 47 ARG A CD  
309 N NE  . ARG A 47 ? 0.86360 0.69525 0.40621 -0.03736 -0.02273 -0.12449 47 ARG A NE  
310 C CZ  . ARG A 47 ? 0.86233 0.67824 0.37711 -0.05275 -0.03169 -0.13415 47 ARG A CZ  
311 N NH1 . ARG A 47 ? 0.79443 0.64674 0.32336 -0.07574 -0.04132 -0.13167 47 ARG A NH1 
312 N NH2 . ARG A 47 ? 0.84058 0.60964 0.32047 -0.04262 -0.03100 -0.14464 47 ARG A NH2 
313 N N   . ALA A 48 ? 0.48878 0.50409 0.25602 -0.02363 -0.01074 -0.05233 48 ALA A N   
314 C CA  . ALA A 48 ? 0.45721 0.49202 0.25668 -0.02688 -0.01369 -0.04330 48 ALA A CA  
315 C C   . ALA A 48 ? 0.53732 0.56926 0.35497 -0.01499 -0.00486 -0.03409 48 ALA A C   
316 O O   . ALA A 48 ? 0.45433 0.48152 0.28907 -0.01718 -0.00367 -0.03258 48 ALA A O   
317 C CB  . ALA A 48 ? 0.39796 0.46539 0.20678 -0.02637 -0.02214 -0.03589 48 ALA A CB  
318 N N   . ILE A 49 ? 0.44789 0.48595 0.26083 -0.00443 0.00132  -0.02772 49 ILE A N   
319 C CA  . ILE A 49 ? 0.48614 0.52750 0.31390 0.00306  0.00951  -0.01888 49 ILE A CA  
320 C C   . ILE A 49 ? 0.45128 0.47346 0.27693 0.00834  0.01601  -0.02659 49 ILE A C   
321 O O   . ILE A 49 ? 0.48217 0.50432 0.32655 0.00980  0.01907  -0.02174 49 ILE A O   
322 C CB  . ILE A 49 ? 0.42321 0.48078 0.24125 0.00871  0.01516  -0.01128 49 ILE A CB  
323 C CG1 . ILE A 49 ? 0.45625 0.52473 0.27584 0.00371  0.00826  0.00078  49 ILE A CG1 
324 C CG2 . ILE A 49 ? 0.35124 0.41810 0.17864 0.01467  0.02525  -0.00584 49 ILE A CG2 
325 C CD1 . ILE A 49 ? 0.49354 0.57586 0.29684 0.00418  0.01255  0.00886  49 ILE A CD1 
326 N N   . GLU A 50 ? 0.39364 0.39475 0.19185 0.01245  0.01728  -0.03903 50 GLU A N   
327 C CA  . GLU A 50 ? 0.49550 0.46959 0.28188 0.02179  0.02234  -0.04672 50 GLU A CA  
328 C C   . GLU A 50 ? 0.43263 0.38504 0.22616 0.00888  0.01725  -0.04923 50 GLU A C   
329 O O   . GLU A 50 ? 0.49641 0.43682 0.29628 0.01492  0.02131  -0.04835 50 GLU A O   
330 C CB  . GLU A 50 ? 0.56988 0.51707 0.31486 0.03211  0.02356  -0.06017 50 GLU A CB  
331 C CG  . GLU A 50 ? 0.51906 0.49306 0.25599 0.04908  0.03106  -0.05840 50 GLU A CG  
332 C CD  . GLU A 50 ? 0.70175 0.65022 0.39446 0.05993  0.03068  -0.07268 50 GLU A CD  
333 O OE1 . GLU A 50 ? 0.78093 0.69189 0.44912 0.04741  0.02235  -0.08258 50 GLU A OE1 
334 O OE2 . GLU A 50 ? 0.77850 0.74619 0.45871 0.08009  0.03852  -0.07426 50 GLU A OE2 
335 N N   . ALA A 51 ? 0.46498 0.41723 0.25725 -0.00953 0.00833  -0.05206 51 ALA A N   
336 C CA  . ALA A 51 ? 0.43429 0.37701 0.23518 -0.02527 0.00377  -0.05323 51 ALA A CA  
337 C C   . ALA A 51 ? 0.50825 0.47722 0.34713 -0.02276 0.00542  -0.04192 51 ALA A C   
338 O O   . ALA A 51 ? 0.45609 0.41385 0.30307 -0.02617 0.00678  -0.04144 51 ALA A O   
339 C CB  . ALA A 51 ? 0.49221 0.44386 0.28532 -0.04690 -0.00623 -0.05829 51 ALA A CB  
340 N N   . GLN A 52 ? 0.42497 0.42387 0.28243 -0.01682 0.00481  -0.03268 52 GLN A N   
341 C CA  . GLN A 52 ? 0.39427 0.40915 0.27966 -0.01310 0.00558  -0.02244 52 GLN A CA  
342 C C   . GLN A 52 ? 0.47616 0.48202 0.36690 -0.00301 0.01434  -0.01896 52 GLN A C   
343 O O   . GLN A 52 ? 0.45595 0.46267 0.36441 -0.00300 0.01539  -0.01474 52 GLN A O   
344 C CB  . GLN A 52 ? 0.31977 0.35625 0.21192 -0.00907 0.00151  -0.01329 52 GLN A CB  
345 C CG  . GLN A 52 ? 0.48191 0.53696 0.37475 -0.01458 -0.00857 -0.01500 52 GLN A CG  
346 C CD  . GLN A 52 ? 0.45942 0.52729 0.35159 -0.00601 -0.01356 -0.00528 52 GLN A CD  
347 O OE1 . GLN A 52 ? 0.42529 0.51044 0.32363 -0.00250 -0.02187 -0.00321 52 GLN A OE1 
348 N NE2 . GLN A 52 ? 0.45583 0.51586 0.33703 -0.00185 -0.00878 0.00097  52 GLN A NE2 
349 N N   . GLN A 53 ? 0.40280 0.40501 0.27798 0.00681  0.02059  -0.02103 53 GLN A N   
350 C CA  . GLN A 53 ? 0.49534 0.49879 0.37492 0.01831  0.02876  -0.01866 53 GLN A CA  
351 C C   . GLN A 53 ? 0.46996 0.44626 0.34408 0.02046  0.02965  -0.02531 53 GLN A C   
352 O O   . GLN A 53 ? 0.48630 0.46633 0.37507 0.02514  0.03311  -0.02097 53 GLN A O   
353 C CB  . GLN A 53 ? 0.45643 0.46957 0.31784 0.03131  0.03526  -0.02117 53 GLN A CB  
354 C CG  . GLN A 53 ? 0.48376 0.51102 0.34920 0.04614  0.04380  -0.01934 53 GLN A CG  
355 C CD  . GLN A 53 ? 0.52432 0.57684 0.41774 0.03863  0.04516  -0.00677 53 GLN A CD  
356 O OE1 . GLN A 53 ? 0.48929 0.55091 0.39268 0.02549  0.04113  0.00206  53 GLN A OE1 
357 N NE2 . GLN A 53 ? 0.67165 0.73192 0.57323 0.04768  0.04996  -0.00613 53 GLN A NE2 
358 N N   . HIS A 54 ? 0.44562 0.39171 0.29499 0.01491  0.02579  -0.03544 54 HIS A N   
359 C CA  . HIS A 54 ? 0.44202 0.35304 0.27755 0.01313  0.02538  -0.04094 54 HIS A CA  
360 C C   . HIS A 54 ? 0.56220 0.48399 0.42517 0.00025  0.02273  -0.03475 54 HIS A C   
361 O O   . HIS A 54 ? 0.49694 0.40894 0.36527 0.00545  0.02582  -0.03270 54 HIS A O   
362 C CB  . HIS A 54 ? 0.49023 0.36231 0.28754 0.00225  0.01990  -0.05216 54 HIS A CB  
363 C CG  . HIS A 54 ? 0.58908 0.41371 0.36052 -0.00286 0.01846  -0.05738 54 HIS A CG  
364 N ND1 . HIS A 54 ? 0.69242 0.50967 0.46639 -0.02846 0.01286  -0.05693 54 HIS A ND1 
365 C CD2 . HIS A 54 ? 0.69902 0.48059 0.43748 0.01496  0.02153  -0.06273 54 HIS A CD2 
366 C CE1 . HIS A 54 ? 0.68273 0.44981 0.42489 -0.02998 0.01255  -0.06089 54 HIS A CE1 
367 N NE2 . HIS A 54 ? 0.80265 0.54372 0.52124 -0.00195 0.01729  -0.06464 54 HIS A NE2 
368 N N   . LEU A 55 ? 0.46747 0.41219 0.34666 -0.01411 0.01680  -0.03201 55 LEU A N   
369 C CA  . LEU A 55 ? 0.44622 0.40700 0.35025 -0.02270 0.01428  -0.02698 55 LEU A CA  
370 C C   . LEU A 55 ? 0.44611 0.42390 0.37465 -0.01077 0.01822  -0.01782 55 LEU A C   
371 O O   . LEU A 55 ? 0.39083 0.36715 0.33189 -0.01113 0.01955  -0.01522 55 LEU A O   
372 C CB  . LEU A 55 ? 0.35228 0.34100 0.26585 -0.03489 0.00661  -0.02685 55 LEU A CB  
373 C CG  . LEU A 55 ? 0.45531 0.46915 0.39308 -0.03999 0.00352  -0.02280 55 LEU A CG  
374 C CD1 . LEU A 55 ? 0.43406 0.42994 0.36622 -0.05193 0.00534  -0.02582 55 LEU A CD1 
375 C CD2 . LEU A 55 ? 0.40920 0.45833 0.35314 -0.04750 -0.00454 -0.02396 55 LEU A CD2 
376 N N   . LEU A 56 ? 0.41249 0.40537 0.34493 -0.00274 0.01972  -0.01258 56 LEU A N   
377 C CA  . LEU A 56 ? 0.46287 0.46819 0.41176 0.00346  0.02282  -0.00360 56 LEU A CA  
378 C C   . LEU A 56 ? 0.39057 0.38793 0.33941 0.01141  0.02942  -0.00441 56 LEU A C   
379 O O   . LEU A 56 ? 0.48250 0.48458 0.44660 0.01181  0.03037  0.00040  56 LEU A O   
380 C CB  . LEU A 56 ? 0.35990 0.37938 0.30444 0.00591  0.02362  0.00239  56 LEU A CB  
381 C CG  . LEU A 56 ? 0.38943 0.42070 0.34309 0.00553  0.02570  0.01292  56 LEU A CG  
382 C CD1 . LEU A 56 ? 0.46211 0.48802 0.42781 0.00207  0.02008  0.01778  56 LEU A CD1 
383 C CD2 . LEU A 56 ? 0.48282 0.52470 0.42484 0.00266  0.02543  0.01910  56 LEU A CD2 
384 N N   . GLN A 57 ? 0.39070 0.37456 0.31908 0.02006  0.03335  -0.01117 57 GLN A N   
385 C CA  . GLN A 57 ? 0.38590 0.36152 0.30885 0.03325  0.03875  -0.01291 57 GLN A CA  
386 C C   . GLN A 57 ? 0.42373 0.37680 0.34834 0.02805  0.03668  -0.01444 57 GLN A C   
387 O O   . GLN A 57 ? 0.48390 0.43988 0.41677 0.03548  0.03963  -0.01143 57 GLN A O   
388 C CB  . GLN A 57 ? 0.52956 0.48789 0.42149 0.04819  0.04185  -0.02158 57 GLN A CB  
389 C CG  . GLN A 57 ? 0.54392 0.49747 0.42526 0.06955  0.04710  -0.02379 57 GLN A CG  
390 C CD  . GLN A 57 ? 0.69693 0.69883 0.60241 0.07660  0.05242  -0.01548 57 GLN A CD  
391 O OE1 . GLN A 57 ? 0.67442 0.68695 0.59900 0.07390  0.05269  -0.00990 57 GLN A OE1 
392 N NE2 . GLN A 57 ? 0.73030 0.76393 0.63319 0.08348  0.05654  -0.01452 57 GLN A NE2 
393 N N   . LEU A 58 ? 0.38061 0.31528 0.29678 0.01354  0.03150  -0.01872 58 LEU A N   
394 C CA  . LEU A 58 ? 0.40072 0.31740 0.31625 0.00442  0.02976  -0.01937 58 LEU A CA  
395 C C   . LEU A 58 ? 0.45756 0.40090 0.40497 0.00111  0.02927  -0.01190 58 LEU A C   
396 O O   . LEU A 58 ? 0.42670 0.36274 0.37843 0.00235  0.03084  -0.01008 58 LEU A O   
397 C CB  . LEU A 58 ? 0.40940 0.30999 0.30814 -0.01558 0.02414  -0.02505 58 LEU A CB  
398 C CG  . LEU A 58 ? 0.51694 0.37677 0.37378 -0.01676 0.02280  -0.03394 58 LEU A CG  
399 C CD1 . LEU A 58 ? 0.49905 0.34740 0.33996 -0.04444 0.01618  -0.03843 58 LEU A CD1 
400 C CD2 . LEU A 58 ? 0.54753 0.36499 0.37575 -0.00102 0.02623  -0.03668 58 LEU A CD2 
401 N N   . THR A 59 ? 0.34713 0.31722 0.31245 -0.00158 0.02648  -0.00767 59 THR A N   
402 C CA  . THR A 59 ? 0.37827 0.36594 0.36607 -0.00218 0.02473  -0.00165 59 THR A CA  
403 C C   . THR A 59 ? 0.48172 0.47349 0.47778 0.00670  0.02889  0.00377  59 THR A C   
404 O O   . THR A 59 ? 0.37469 0.36933 0.38269 0.00657  0.02861  0.00675  59 THR A O   
405 C CB  . THR A 59 ? 0.34068 0.34647 0.33553 -0.00357 0.01931  0.00124  59 THR A CB  
406 O OG1 . THR A 59 ? 0.43926 0.44749 0.42773 0.00102  0.02071  0.00454  59 THR A OG1 
407 C CG2 . THR A 59 ? 0.33613 0.34876 0.32506 -0.01262 0.01455  -0.00430 59 THR A CG2 
408 N N   . VAL A 60 ? 0.33682 0.33395 0.32621 0.01365  0.03266  0.00495  60 VAL A N   
409 C CA  . VAL A 60 ? 0.38042 0.39139 0.37707 0.01993  0.03678  0.00981  60 VAL A CA  
410 C C   . VAL A 60 ? 0.41738 0.41667 0.41181 0.02745  0.03946  0.00705  60 VAL A C   
411 O O   . VAL A 60 ? 0.43491 0.44303 0.44147 0.02783  0.03991  0.01107  60 VAL A O   
412 C CB  . VAL A 60 ? 0.43400 0.46270 0.42250 0.02640  0.04113  0.01072  60 VAL A CB  
413 C CG1 . VAL A 60 ? 0.30293 0.35533 0.29764 0.03417  0.04600  0.01412  60 VAL A CG1 
414 C CG2 . VAL A 60 ? 0.33857 0.37867 0.32816 0.01645  0.03824  0.01646  60 VAL A CG2 
415 N N   . TRP A 61 ? 0.38844 0.36285 0.36243 0.03303  0.04044  0.00018  61 TRP A N   
416 C CA  . TRP A 61 ? 0.38129 0.33403 0.34423 0.04067  0.04188  -0.00204 61 TRP A CA  
417 C C   . TRP A 61 ? 0.50326 0.44852 0.47671 0.02763  0.03888  -0.00020 61 TRP A C   
418 O O   . TRP A 61 ? 0.48899 0.43031 0.46486 0.03217  0.04006  0.00186  61 TRP A O   
419 C CB  . TRP A 61 ? 0.45992 0.37496 0.38762 0.04790  0.04201  -0.00986 61 TRP A CB  
420 C CG  . TRP A 61 ? 0.59660 0.51991 0.51012 0.06795  0.04579  -0.01289 61 TRP A CG  
421 C CD1 . TRP A 61 ? 0.51320 0.47564 0.44081 0.08205  0.05014  -0.00896 61 TRP A CD1 
422 C CD2 . TRP A 61 ? 0.69942 0.59611 0.58027 0.07585  0.04553  -0.02089 61 TRP A CD2 
423 N NE1 . TRP A 61 ? 0.68334 0.65120 0.59120 0.10047  0.05338  -0.01393 61 TRP A NE1 
424 C CE2 . TRP A 61 ? 0.64614 0.57012 0.52373 0.09862  0.05052  -0.02174 61 TRP A CE2 
425 C CE3 . TRP A 61 ? 0.60994 0.46410 0.46177 0.06453  0.04121  -0.02771 61 TRP A CE3 
426 C CZ2 . TRP A 61 ? 0.70170 0.60945 0.54733 0.11460  0.05167  -0.02987 61 TRP A CZ2 
427 C CZ3 . TRP A 61 ? 0.67024 0.50198 0.48806 0.07758  0.04149  -0.03578 61 TRP A CZ3 
428 C CH2 . TRP A 61 ? 0.75226 0.60951 0.56683 0.10448  0.04686  -0.03715 61 TRP A CH2 
429 N N   . GLY A 62 ? 0.39854 0.34655 0.37775 0.01281  0.03497  -0.00105 62 GLY A N   
430 C CA  . GLY A 62 ? 0.40921 0.36086 0.39950 0.00211  0.03260  0.00034  62 GLY A CA  
431 C C   . GLY A 62 ? 0.37114 0.34407 0.38396 0.00604  0.03233  0.00581  62 GLY A C   
432 O O   . GLY A 62 ? 0.34925 0.32250 0.36840 0.00393  0.03226  0.00707  62 GLY A O   
433 N N   . ILE A 63 ? 0.34275 0.33069 0.36366 0.00998  0.03177  0.00922  63 ILE A N   
434 C CA  . ILE A 63 ? 0.39307 0.39257 0.42707 0.01076  0.03031  0.01437  63 ILE A CA  
435 C C   . ILE A 63 ? 0.35994 0.36193 0.39573 0.01674  0.03397  0.01636  63 ILE A C   
436 O O   . ILE A 63 ? 0.38929 0.39418 0.43308 0.01583  0.03281  0.01855  63 ILE A O   
437 C CB  . ILE A 63 ? 0.35267 0.36054 0.38647 0.00868  0.02778  0.01853  63 ILE A CB  
438 C CG1 . ILE A 63 ? 0.36047 0.36666 0.39248 0.00660  0.02220  0.01729  63 ILE A CG1 
439 C CG2 . ILE A 63 ? 0.34781 0.36047 0.38589 0.00588  0.02632  0.02432  63 ILE A CG2 
440 C CD1 . ILE A 63 ? 0.40114 0.40696 0.42524 0.00504  0.01882  0.02197  63 ILE A CD1 
441 N N   . LYS A 64 ? 0.30529 0.30799 0.33174 0.02535  0.03805  0.01504  64 LYS A N   
442 C CA  . LYS A 64 ? 0.36224 0.37393 0.38912 0.03546  0.04106  0.01661  64 LYS A CA  
443 C C   . LYS A 64 ? 0.42801 0.41913 0.44954 0.03802  0.04095  0.01498  64 LYS A C   
444 O O   . LYS A 64 ? 0.38381 0.38404 0.41183 0.04185  0.04121  0.01768  64 LYS A O   
445 C CB  . LYS A 64 ? 0.35206 0.37110 0.36588 0.05021  0.04517  0.01428  64 LYS A CB  
446 C CG  . LYS A 64 ? 0.44674 0.49739 0.46705 0.04688  0.04650  0.01762  64 LYS A CG  
447 C CD  . LYS A 64 ? 0.61779 0.69731 0.65414 0.03647  0.04522  0.02463  64 LYS A CD  
448 C CE  . LYS A 64 ? 0.66383 0.76795 0.70327 0.04888  0.04788  0.02539  64 LYS A CE  
449 N NZ  . LYS A 64 ? 0.69330 0.80503 0.74508 0.03711  0.04448  0.02986  64 LYS A NZ  
450 N N   . GLN A 65 ? 0.33082 0.29500 0.33835 0.03334  0.04022  0.01102  65 GLN A N   
451 C CA  . GLN A 65 ? 0.38180 0.32401 0.37926 0.03116  0.04008  0.01062  65 GLN A CA  
452 C C   . GLN A 65 ? 0.33100 0.28761 0.34734 0.02087  0.03807  0.01311  65 GLN A C   
453 O O   . GLN A 65 ? 0.36795 0.32013 0.38362 0.02210  0.03858  0.01493  65 GLN A O   
454 C CB  . GLN A 65 ? 0.39644 0.30546 0.36849 0.02281  0.03923  0.00630  65 GLN A CB  
455 C CG  . GLN A 65 ? 0.61677 0.49825 0.57117 0.01527  0.03885  0.00705  65 GLN A CG  
456 C CD  . GLN A 65 ? 0.81517 0.65331 0.73235 0.00630  0.03739  0.00308  65 GLN A CD  
457 O OE1 . GLN A 65 ? 0.89965 0.71573 0.79938 -0.01104 0.03605  0.00386  65 GLN A OE1 
458 N NE2 . GLN A 65 ? 0.81519 0.64035 0.71674 0.01590  0.03735  -0.00122 65 GLN A NE2 
459 N N   . LEU A 66 ? 0.32602 0.29889 0.35606 0.01335  0.03540  0.01295  66 LEU A N   
460 C CA  . LEU A 66 ? 0.35374 0.34011 0.39770 0.00958  0.03290  0.01421  66 LEU A CA  
461 C C   . LEU A 66 ? 0.37576 0.37059 0.42804 0.01526  0.03239  0.01771  66 LEU A C   
462 O O   . LEU A 66 ? 0.33029 0.32754 0.38702 0.01526  0.03158  0.01836  66 LEU A O   
463 C CB  . LEU A 66 ? 0.27460 0.27310 0.32479 0.00611  0.02902  0.01278  66 LEU A CB  
464 C CG  . LEU A 66 ? 0.28439 0.28812 0.33096 -0.00292 0.02821  0.00913  66 LEU A CG  
465 C CD1 . LEU A 66 ? 0.33240 0.35180 0.38337 -0.00161 0.02379  0.00771  66 LEU A CD1 
466 C CD2 . LEU A 66 ? 0.43370 0.44763 0.48410 -0.00766 0.02875  0.00871  66 LEU A CD2 
467 N N   . GLN A 67 ? 0.29378 0.29620 0.34677 0.01824  0.03277  0.02000  67 GLN A N   
468 C CA  . GLN A 67 ? 0.33990 0.35529 0.39856 0.01879  0.03193  0.02369  67 GLN A CA  
469 C C   . GLN A 67 ? 0.31677 0.33338 0.37392 0.02646  0.03446  0.02408  67 GLN A C   
470 O O   . GLN A 67 ? 0.35948 0.38353 0.42175 0.02509  0.03265  0.02589  67 GLN A O   
471 C CB  . GLN A 67 ? 0.30790 0.33983 0.36627 0.01720  0.03266  0.02665  67 GLN A CB  
472 C CG  . GLN A 67 ? 0.42374 0.45162 0.47947 0.00800  0.02888  0.02837  67 GLN A CG  
473 C CD  . GLN A 67 ? 0.48154 0.52830 0.53466 0.00342  0.03051  0.03221  67 GLN A CD  
474 O OE1 . GLN A 67 ? 0.53637 0.60233 0.59046 0.01139  0.03540  0.03168  67 GLN A OE1 
475 N NE2 . GLN A 67 ? 0.56978 0.61093 0.61588 -0.00839 0.02617  0.03625  67 GLN A NE2 
476 N N   . ALA A 68 ? 0.31219 0.31725 0.35756 0.03547  0.03782  0.02226  68 ALA A N   
477 C CA  . ALA A 68 ? 0.31116 0.31031 0.34811 0.04608  0.03932  0.02307  68 ALA A CA  
478 C C   . ALA A 68 ? 0.31532 0.29904 0.35067 0.03935  0.03839  0.02311  68 ALA A C   
479 O O   . ALA A 68 ? 0.33701 0.32372 0.37216 0.04393  0.03812  0.02519  68 ALA A O   
480 C CB  . ALA A 68 ? 0.30187 0.28079 0.31625 0.06003  0.04189  0.02070  68 ALA A CB  
481 N N   . ARG A 69 ? 0.28059 0.25361 0.31491 0.02824  0.03788  0.02092  69 ARG A N   
482 C CA  . ARG A 69 ? 0.33196 0.29982 0.36503 0.02038  0.03775  0.02103  69 ARG A CA  
483 C C   . ARG A 69 ? 0.33529 0.32273 0.38440 0.01983  0.03538  0.02156  69 ARG A C   
484 O O   . ARG A 69 ? 0.28745 0.27526 0.33533 0.02024  0.03571  0.02276  69 ARG A O   
485 C CB  . ARG A 69 ? 0.28978 0.25324 0.31841 0.00749  0.03769  0.01838  69 ARG A CB  
486 C CG  . ARG A 69 ? 0.35380 0.28618 0.35633 0.00290  0.03910  0.01761  69 ARG A CG  
487 C CD  . ARG A 69 ? 0.42173 0.35668 0.42049 -0.01448 0.03810  0.01482  69 ARG A CD  
488 N NE  . ARG A 69 ? 0.32749 0.27423 0.32657 -0.02968 0.03851  0.01588  69 ARG A NE  
489 C CZ  . ARG A 69 ? 0.40194 0.36578 0.40106 -0.04729 0.03760  0.01392  69 ARG A CZ  
490 N NH1 . ARG A 69 ? 0.37799 0.34511 0.37625 -0.05178 0.03558  0.01060  69 ARG A NH1 
491 N NH2 . ARG A 69 ? 0.32579 0.30943 0.32584 -0.06122 0.03871  0.01539  69 ARG A NH2 
492 N N   . ILE A 70 ? 0.27709 0.27587 0.33619 0.01904  0.03236  0.02066  70 ILE A N   
493 C CA  . ILE A 70 ? 0.30436 0.31047 0.36933 0.01928  0.02860  0.02030  70 ILE A CA  
494 C C   . ILE A 70 ? 0.34439 0.35553 0.41007 0.02141  0.02770  0.02309  70 ILE A C   
495 O O   . ILE A 70 ? 0.30325 0.31597 0.36891 0.02148  0.02539  0.02264  70 ILE A O   
496 C CB  . ILE A 70 ? 0.22180 0.22734 0.28723 0.01810  0.02417  0.01904  70 ILE A CB  
497 C CG1 . ILE A 70 ? 0.45147 0.45229 0.51264 0.02026  0.01887  0.01770  70 ILE A CG1 
498 C CG2 . ILE A 70 ? 0.40840 0.41450 0.47276 0.01516  0.02386  0.02203  70 ILE A CG2 
499 C CD1 . ILE A 70 ? 0.39727 0.40433 0.45914 0.02561  0.01949  0.01418  70 ILE A CD1 
500 N N   . LEU A 71 ? 0.25639 0.27466 0.32189 0.02392  0.02930  0.02557  71 LEU A N   
501 C CA  . LEU A 71 ? 0.30329 0.33785 0.37071 0.02627  0.02839  0.02830  71 LEU A CA  
502 C C   . LEU A 71 ? 0.34962 0.37995 0.41233 0.03418  0.03010  0.02884  71 LEU A C   
503 O O   . LEU A 71 ? 0.28526 0.32615 0.34982 0.03394  0.02770  0.02992  71 LEU A O   
504 C CB  . LEU A 71 ? 0.27876 0.33221 0.34701 0.03073  0.03042  0.03038  71 LEU A CB  
505 C CG  . LEU A 71 ? 0.25223 0.33660 0.32392 0.03467  0.02966  0.03325  71 LEU A CG  
506 C CD1 . LEU A 71 ? 0.23041 0.32455 0.30581 0.01822  0.02409  0.03466  71 LEU A CD1 
507 C CD2 . LEU A 71 ? 0.29972 0.41190 0.37249 0.04141  0.03242  0.03460  71 LEU A CD2 
508 N N   . ALA A 72 ? 0.23855 0.25016 0.29096 0.03937  0.03361  0.02839  72 ALA A N   
509 C CA  . ALA A 72 ? 0.31890 0.31840 0.35989 0.04484  0.03486  0.03010  72 ALA A CA  
510 C C   . ALA A 72 ? 0.34656 0.34762 0.39212 0.03685  0.03368  0.02922  72 ALA A C   
511 O O   . ALA A 72 ? 0.31844 0.32212 0.36044 0.04040  0.03304  0.03103  72 ALA A O   
512 C CB  . ALA A 72 ? 0.25964 0.22886 0.28002 0.04677  0.03777  0.03021  72 ALA A CB  
513 N N   . VAL A 73 ? 0.27503 0.27720 0.32697 0.02856  0.03319  0.02611  73 VAL A N   
514 C CA  . VAL A 73 ? 0.37743 0.38635 0.43228 0.02558  0.03204  0.02394  73 VAL A CA  
515 C C   . VAL A 73 ? 0.38511 0.40171 0.44388 0.02778  0.02728  0.02288  73 VAL A C   
516 O O   . VAL A 73 ? 0.26185 0.28160 0.31771 0.02940  0.02632  0.02234  73 VAL A O   
517 C CB  . VAL A 73 ? 0.24430 0.25864 0.30317 0.02117  0.03205  0.02019  73 VAL A CB  
518 C CG1 . VAL A 73 ? 0.24275 0.26845 0.30372 0.02506  0.02938  0.01615  73 VAL A CG1 
519 C CG2 . VAL A 73 ? 0.21562 0.22631 0.26719 0.01279  0.03632  0.02136  73 VAL A CG2 
520 N N   . GLU A 74 ? 0.28222 0.30058 0.34418 0.02544  0.02389  0.02284  74 GLU A N   
521 C CA  . GLU A 74 ? 0.31261 0.33345 0.37194 0.02146  0.01816  0.02231  74 GLU A CA  
522 C C   . GLU A 74 ? 0.27030 0.30504 0.33007 0.02317  0.01801  0.02518  74 GLU A C   
523 O O   . GLU A 74 ? 0.33273 0.36839 0.38766 0.02083  0.01406  0.02371  74 GLU A O   
524 C CB  . GLU A 74 ? 0.29004 0.31018 0.34849 0.01343  0.01478  0.02359  74 GLU A CB  
525 C CG  . GLU A 74 ? 0.25646 0.25885 0.30880 0.01298  0.01223  0.02074  74 GLU A CG  
526 C CD  . GLU A 74 ? 0.32367 0.32391 0.37294 0.00413  0.01007  0.02371  74 GLU A CD  
527 O OE1 . GLU A 74 ? 0.33656 0.35641 0.39230 -0.00083 0.01229  0.02766  74 GLU A OE1 
528 O OE2 . GLU A 74 ? 0.31618 0.29713 0.35462 0.00355  0.00603  0.02224  74 GLU A OE2 
529 N N   . ARG A 75 ? 0.25372 0.29875 0.31612 0.02953  0.02164  0.02878  75 ARG A N   
530 C CA  . ARG A 75 ? 0.26172 0.32351 0.32270 0.03619  0.02101  0.03165  75 ARG A CA  
531 C C   . ARG A 75 ? 0.25254 0.30265 0.30576 0.04150  0.02243  0.03179  75 ARG A C   
532 O O   . ARG A 75 ? 0.33959 0.40095 0.39067 0.04294  0.01954  0.03252  75 ARG A O   
533 C CB  . ARG A 75 ? 0.23701 0.31002 0.29694 0.04830  0.02412  0.03464  75 ARG A CB  
534 C CG  . ARG A 75 ? 0.23872 0.33892 0.30720 0.04308  0.02276  0.03547  75 ARG A CG  
535 C CD  . ARG A 75 ? 0.20711 0.31516 0.27183 0.05938  0.02683  0.03665  75 ARG A CD  
536 N NE  . ARG A 75 ? 0.24363 0.39224 0.31727 0.05612  0.02614  0.03811  75 ARG A NE  
537 C CZ  . ARG A 75 ? 0.23856 0.40280 0.30993 0.07009  0.02960  0.03822  75 ARG A CZ  
538 N NH1 . ARG A 75 ? 0.26812 0.40139 0.32458 0.08818  0.03311  0.03642  75 ARG A NH1 
539 N NH2 . ARG A 75 ? 0.17028 0.38195 0.25110 0.06459  0.02925  0.04007  75 ARG A NH2 
540 N N   . TYR A 76 ? 0.21389 0.24412 0.26142 0.04206  0.02668  0.03144  76 TYR A N   
541 C CA  . TYR A 76 ? 0.29894 0.32039 0.33688 0.04300  0.02864  0.03257  76 TYR A CA  
542 C C   . TYR A 76 ? 0.31947 0.34976 0.36049 0.03916  0.02544  0.02878  76 TYR A C   
543 O O   . TYR A 76 ? 0.32189 0.35623 0.35672 0.04210  0.02454  0.03004  76 TYR A O   
544 C CB  . TYR A 76 ? 0.23536 0.24026 0.26622 0.03721  0.03333  0.03284  76 TYR A CB  
545 C CG  . TYR A 76 ? 0.31808 0.31944 0.33837 0.03276  0.03591  0.03459  76 TYR A CG  
546 C CD1 . TYR A 76 ? 0.47606 0.45901 0.47596 0.03548  0.03749  0.04054  76 TYR A CD1 
547 C CD2 . TYR A 76 ? 0.31065 0.32735 0.33768 0.02730  0.03656  0.03045  76 TYR A CD2 
548 C CE1 . TYR A 76 ? 0.43786 0.41807 0.42542 0.02811  0.04005  0.04334  76 TYR A CE1 
549 C CE2 . TYR A 76 ? 0.27484 0.29646 0.29260 0.02230  0.03971  0.03228  76 TYR A CE2 
550 C CZ  . TYR A 76 ? 0.35291 0.35636 0.35142 0.02032  0.04166  0.03924  76 TYR A CZ  
551 O OH  . TYR A 76 ? 0.42851 0.43703 0.41504 0.01216  0.04501  0.04226  76 TYR A OH  
552 N N   . LEU A 77 ? 0.29707 0.32700 0.34333 0.03458  0.02305  0.02380  77 LEU A N   
553 C CA  . LEU A 77 ? 0.32985 0.35995 0.37138 0.03455  0.01894  0.01867  77 LEU A CA  
554 C C   . LEU A 77 ? 0.41994 0.45448 0.45784 0.03125  0.01268  0.01870  77 LEU A C   
555 O O   . LEU A 77 ? 0.43265 0.46778 0.46237 0.03236  0.00985  0.01616  77 LEU A O   
556 C CB  . LEU A 77 ? 0.31604 0.33766 0.35650 0.03478  0.01657  0.01327  77 LEU A CB  
557 C CG  . LEU A 77 ? 0.26102 0.28874 0.30637 0.03679  0.02208  0.01264  77 LEU A CG  
558 C CD1 . LEU A 77 ? 0.31105 0.33329 0.35504 0.04053  0.01874  0.00788  77 LEU A CD1 
559 C CD2 . LEU A 77 ? 0.27668 0.31783 0.31858 0.03956  0.02599  0.01149  77 LEU A CD2 
560 N N   . LYS A 78 ? 0.34934 0.39124 0.39234 0.02573  0.01037  0.02147  78 LYS A N   
561 C CA  . LYS A 78 ? 0.37253 0.42971 0.41321 0.01863  0.00450  0.02257  78 LYS A CA  
562 C C   . LYS A 78 ? 0.38130 0.45520 0.42205 0.02721  0.00589  0.02581  78 LYS A C   
563 O O   . LYS A 78 ? 0.42121 0.50216 0.45531 0.02383  0.00102  0.02425  78 LYS A O   
564 C CB  . LYS A 78 ? 0.34699 0.42116 0.39504 0.01087  0.00337  0.02603  78 LYS A CB  
565 C CG  . LYS A 78 ? 0.47170 0.57717 0.52025 0.00140  -0.00202 0.02837  78 LYS A CG  
566 C CD  . LYS A 78 ? 0.48018 0.62054 0.54077 0.00402  0.00072  0.03324  78 LYS A CD  
567 C CE  . LYS A 78 ? 0.45800 0.61680 0.51747 -0.01886 -0.00447 0.03459  78 LYS A CE  
568 N NZ  . LYS A 78 ? 0.58415 0.77112 0.63886 -0.03428 -0.01178 0.03511  78 LYS A NZ  
569 N N   . ASP A 79 ? 0.36472 0.44012 0.40802 0.03877  0.01176  0.03026  79 ASP A N   
570 C CA  . ASP A 79 ? 0.29237 0.37746 0.32947 0.05007  0.01235  0.03446  79 ASP A CA  
571 C C   . ASP A 79 ? 0.40152 0.47503 0.42882 0.05050  0.01290  0.03317  79 ASP A C   
572 O O   . ASP A 79 ? 0.43221 0.51780 0.45359 0.05446  0.00985  0.03463  79 ASP A O   
573 C CB  . ASP A 79 ? 0.31728 0.39199 0.34868 0.06335  0.01749  0.03919  79 ASP A CB  
574 C CG  . ASP A 79 ? 0.32428 0.41877 0.36328 0.06843  0.01698  0.04032  79 ASP A CG  
575 O OD1 . ASP A 79 ? 0.31348 0.43432 0.36385 0.05796  0.01295  0.03863  79 ASP A OD1 
576 O OD2 . ASP A 79 ? 0.32967 0.41219 0.35960 0.08207  0.02037  0.04285  79 ASP A OD2 
577 N N   . GLN A 80 ? 0.35612 0.41196 0.38150 0.04694  0.01676  0.03035  80 GLN A N   
578 C CA  . GLN A 80 ? 0.35699 0.40935 0.37321 0.04749  0.01832  0.02888  80 GLN A CA  
579 C C   . GLN A 80 ? 0.51955 0.57903 0.53180 0.04504  0.01183  0.02321  80 GLN A C   
580 O O   . GLN A 80 ? 0.58537 0.64734 0.58817 0.04797  0.01211  0.02254  80 GLN A O   
581 C CB  . GLN A 80 ? 0.35974 0.40469 0.37685 0.04412  0.02344  0.02608  80 GLN A CB  
582 C CG  . GLN A 80 ? 0.50379 0.53824 0.51711 0.04187  0.02963  0.03197  80 GLN A CG  
583 C CD  . GLN A 80 ? 0.67907 0.70454 0.67516 0.04426  0.03183  0.03925  80 GLN A CD  
584 O OE1 . GLN A 80 ? 0.67888 0.69167 0.66602 0.05108  0.03104  0.04459  80 GLN A OE1 
585 N NE2 . GLN A 80 ? 0.70788 0.73938 0.69573 0.04059  0.03437  0.03952  80 GLN A NE2 
586 N N   . GLN A 81 ? 0.45376 0.51349 0.46878 0.03793  0.00565  0.01929  81 GLN A N   
587 C CA  . GLN A 81 ? 0.55859 0.61816 0.56275 0.03158  -0.00243 0.01409  81 GLN A CA  
588 C C   . GLN A 81 ? 0.49487 0.58004 0.50172 0.02832  -0.00680 0.01858  81 GLN A C   
589 O O   . GLN A 81 ? 0.71993 0.81299 0.71741 0.02731  -0.01130 0.01697  81 GLN A O   
590 C CB  . GLN A 81 ? 0.57841 0.61865 0.57547 0.02167  -0.00835 0.00843  81 GLN A CB  
591 C CG  . GLN A 81 ? 0.61025 0.62960 0.60374 0.02916  -0.00523 0.00363  81 GLN A CG  
592 C CD  . GLN A 81 ? 0.81348 0.80749 0.79505 0.02143  -0.01186 -0.00026 81 GLN A CD  
593 O OE1 . GLN A 81 ? 0.90802 0.88484 0.88362 0.02986  -0.01111 -0.00446 81 GLN A OE1 
594 N NE2 . GLN A 81 ? 0.76377 0.75719 0.73938 0.00463  -0.01882 0.00162  81 GLN A NE2 
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