data_9ARP
# 
_entry.id   9ARP 
# 
_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   9ARP         pdb_00009arp 10.2210/pdb9arp/pdb 
WWPDB D_1000281841 ?            ?                   
# 
_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                        9ARP 
_pdbx_database_status.recvd_initial_deposition_date   2024-02-23 
_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 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB . 8W2Y unspecified 
PDB . 8W32 unspecified 
PDB . 8W37 unspecified 
PDB . 9ARN 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' 9891.165 2  ? ? 'residues 542-591 (Uniprot numbering), with N-terminal extension' ? 
2 water   nat water                        18.015   40 ? ? ?                                                                 ? 
# 
_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       
;PEYTSRIESLIREAQNQQEKNEQALRELDSGGGRQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILAVERYLK
DQQKR
;
_entity_poly.pdbx_seq_one_letter_code_can   
;PEYTSRIESLIREAQNQQEKNEQALRELDSGGGRQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILAVERYLK
DQQKR
;
_entity_poly.pdbx_strand_id                 A,B 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     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  GLU n 
1 3  TYR n 
1 4  THR n 
1 5  SER n 
1 6  ARG n 
1 7  ILE n 
1 8  GLU n 
1 9  SER n 
1 10 LEU n 
1 11 ILE n 
1 12 ARG n 
1 13 GLU n 
1 14 ALA n 
1 15 GLN n 
1 16 ASN n 
1 17 GLN n 
1 18 GLN n 
1 19 GLU n 
1 20 LYS n 
1 21 ASN n 
1 22 GLU n 
1 23 GLN n 
1 24 ALA n 
1 25 LEU n 
1 26 ARG n 
1 27 GLU n 
1 28 LEU n 
1 29 ASP n 
1 30 SER n 
1 31 GLY n 
1 32 GLY n 
1 33 GLY n 
1 34 ARG n 
1 35 GLN n 
1 36 LEU n 
1 37 LEU n 
1 38 SER n 
1 39 GLY n 
1 40 ILE n 
1 41 VAL n 
1 42 GLN n 
1 43 GLN n 
1 44 GLN n 
1 45 ASN n 
1 46 ASN n 
1 47 LEU n 
1 48 LEU n 
1 49 ARG n 
1 50 ALA n 
1 51 ILE n 
1 52 GLU n 
1 53 ALA n 
1 54 GLN n 
1 55 GLN n 
1 56 HIS n 
1 57 LEU n 
1 58 LEU n 
1 59 GLN n 
1 60 LEU n 
1 61 THR n 
1 62 VAL n 
1 63 TRP n 
1 64 GLY n 
1 65 ILE n 
1 66 LYS n 
1 67 GLN n 
1 68 LEU n 
1 69 GLN n 
1 70 ALA n 
1 71 ARG n 
1 72 ILE n 
1 73 LEU n 
1 74 ALA n 
1 75 VAL n 
1 76 GLU n 
1 77 ARG n 
1 78 TYR n 
1 79 LEU n 
1 80 LYS n 
1 81 ASP n 
1 82 GLN n 
1 83 GLN n 
1 84 LYS n 
1 85 ARG 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                   85 
_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  
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 
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  GLU 2  0  ?  ?   ?   A . n 
A 1 3  TYR 3  1  1  TYR TYR A . n 
A 1 4  THR 4  2  2  THR THR A . n 
A 1 5  SER 5  3  3  SER SER A . n 
A 1 6  ARG 6  4  4  ARG ARG A . n 
A 1 7  ILE 7  5  5  ILE ILE A . n 
A 1 8  GLU 8  6  6  GLU GLU A . n 
A 1 9  SER 9  7  7  SER SER A . n 
A 1 10 LEU 10 8  8  LEU LEU A . n 
A 1 11 ILE 11 9  9  ILE ILE A . n 
A 1 12 ARG 12 10 10 ARG ARG A . n 
A 1 13 GLU 13 11 11 GLU GLU A . n 
A 1 14 ALA 14 12 12 ALA ALA A . n 
A 1 15 GLN 15 13 13 GLN GLN A . n 
A 1 16 ASN 16 14 14 ASN ASN A . n 
A 1 17 GLN 17 15 15 GLN GLN A . n 
A 1 18 GLN 18 16 16 GLN GLN A . n 
A 1 19 GLU 19 17 17 GLU GLU A . n 
A 1 20 LYS 20 18 18 LYS LYS A . n 
A 1 21 ASN 21 19 19 ASN ASN A . n 
A 1 22 GLU 22 20 20 GLU GLU A . n 
A 1 23 GLN 23 21 21 GLN GLN A . n 
A 1 24 ALA 24 22 22 ALA ALA A . n 
A 1 25 LEU 25 23 23 LEU LEU A . n 
A 1 26 ARG 26 24 ?  ?   ?   A . n 
A 1 27 GLU 27 25 ?  ?   ?   A . n 
A 1 28 LEU 28 26 ?  ?   ?   A . n 
A 1 29 ASP 29 27 ?  ?   ?   A . n 
A 1 30 SER 30 28 ?  ?   ?   A . n 
A 1 31 GLY 31 29 ?  ?   ?   A . n 
A 1 32 GLY 32 30 ?  ?   ?   A . n 
A 1 33 GLY 33 31 ?  ?   ?   A . n 
A 1 34 ARG 34 32 ?  ?   ?   A . n 
A 1 35 GLN 35 33 33 GLN GLN A . n 
A 1 36 LEU 36 34 34 LEU LEU A . n 
A 1 37 LEU 37 35 35 LEU LEU A . n 
A 1 38 SER 38 36 36 SER SER A . n 
A 1 39 GLY 39 37 37 GLY GLY A . n 
A 1 40 ILE 40 38 38 ILE ILE A . n 
A 1 41 VAL 41 39 39 VAL VAL A . n 
A 1 42 GLN 42 40 40 GLN GLN A . n 
A 1 43 GLN 43 41 41 GLN GLN A . n 
A 1 44 GLN 44 42 42 GLN GLN A . n 
A 1 45 ASN 45 43 43 ASN ASN A . n 
A 1 46 ASN 46 44 44 ASN ASN A . n 
A 1 47 LEU 47 45 45 LEU LEU A . n 
A 1 48 LEU 48 46 46 LEU LEU A . n 
A 1 49 ARG 49 47 47 ARG ARG A . n 
A 1 50 ALA 50 48 48 ALA ALA A . n 
A 1 51 ILE 51 49 49 ILE ILE A . n 
A 1 52 GLU 52 50 50 GLU GLU A . n 
A 1 53 ALA 53 51 51 ALA ALA A . n 
A 1 54 GLN 54 52 52 GLN GLN A . n 
A 1 55 GLN 55 53 53 GLN GLN A . n 
A 1 56 HIS 56 54 54 HIS HIS A . n 
A 1 57 LEU 57 55 55 LEU LEU A . n 
A 1 58 LEU 58 56 56 LEU LEU A . n 
A 1 59 GLN 59 57 57 GLN GLN A . n 
A 1 60 LEU 60 58 58 LEU LEU A . n 
A 1 61 THR 61 59 59 THR THR A . n 
A 1 62 VAL 62 60 60 VAL VAL A . n 
A 1 63 TRP 63 61 61 TRP TRP A . n 
A 1 64 GLY 64 62 62 GLY GLY A . n 
A 1 65 ILE 65 63 63 ILE ILE A . n 
A 1 66 LYS 66 64 64 LYS LYS A . n 
A 1 67 GLN 67 65 65 GLN GLN A . n 
A 1 68 LEU 68 66 66 LEU LEU A . n 
A 1 69 GLN 69 67 67 GLN GLN A . n 
A 1 70 ALA 70 68 68 ALA ALA A . n 
A 1 71 ARG 71 69 69 ARG ARG A . n 
A 1 72 ILE 72 70 70 ILE ILE A . n 
A 1 73 LEU 73 71 71 LEU LEU A . n 
A 1 74 ALA 74 72 72 ALA ALA A . n 
A 1 75 VAL 75 73 73 VAL VAL A . n 
A 1 76 GLU 76 74 74 GLU GLU A . n 
A 1 77 ARG 77 75 75 ARG ARG A . n 
A 1 78 TYR 78 76 76 TYR TYR A . n 
A 1 79 LEU 79 77 77 LEU LEU A . n 
A 1 80 LYS 80 78 78 LYS LYS A . n 
A 1 81 ASP 81 79 79 ASP ASP A . n 
A 1 82 GLN 82 80 80 GLN GLN A . n 
A 1 83 GLN 83 81 81 GLN GLN A . n 
A 1 84 LYS 84 82 ?  ?   ?   A . n 
A 1 85 ARG 85 83 ?  ?   ?   A . n 
B 1 1  PRO 1  -1 ?  ?   ?   B . n 
B 1 2  GLU 2  0  ?  ?   ?   B . n 
B 1 3  TYR 3  1  ?  ?   ?   B . n 
B 1 4  THR 4  2  ?  ?   ?   B . n 
B 1 5  SER 5  3  ?  ?   ?   B . n 
B 1 6  ARG 6  4  4  ARG ARG B . n 
B 1 7  ILE 7  5  5  ILE ILE B . n 
B 1 8  GLU 8  6  6  GLU GLU B . n 
B 1 9  SER 9  7  7  SER SER B . n 
B 1 10 LEU 10 8  8  LEU LEU B . n 
B 1 11 ILE 11 9  9  ILE ILE B . n 
B 1 12 ARG 12 10 10 ARG ARG B . n 
B 1 13 GLU 13 11 11 GLU GLU B . n 
B 1 14 ALA 14 12 12 ALA ALA B . n 
B 1 15 GLN 15 13 13 GLN GLN B . n 
B 1 16 ASN 16 14 14 ASN ASN B . n 
B 1 17 GLN 17 15 15 GLN GLN B . n 
B 1 18 GLN 18 16 16 GLN GLN B . n 
B 1 19 GLU 19 17 17 GLU GLU B . n 
B 1 20 LYS 20 18 18 LYS LYS B . n 
B 1 21 ASN 21 19 19 ASN ASN B . n 
B 1 22 GLU 22 20 20 GLU GLU B . n 
B 1 23 GLN 23 21 21 GLN GLN B . n 
B 1 24 ALA 24 22 22 ALA ALA B . n 
B 1 25 LEU 25 23 23 LEU LEU B . n 
B 1 26 ARG 26 24 ?  ?   ?   B . n 
B 1 27 GLU 27 25 ?  ?   ?   B . n 
B 1 28 LEU 28 26 ?  ?   ?   B . n 
B 1 29 ASP 29 27 ?  ?   ?   B . n 
B 1 30 SER 30 28 ?  ?   ?   B . n 
B 1 31 GLY 31 29 ?  ?   ?   B . n 
B 1 32 GLY 32 30 ?  ?   ?   B . n 
B 1 33 GLY 33 31 ?  ?   ?   B . n 
B 1 34 ARG 34 32 ?  ?   ?   B . n 
B 1 35 GLN 35 33 33 GLN GLN B . n 
B 1 36 LEU 36 34 34 LEU LEU B . n 
B 1 37 LEU 37 35 35 LEU LEU B . n 
B 1 38 SER 38 36 36 SER SER B . n 
B 1 39 GLY 39 37 37 GLY GLY B . n 
B 1 40 ILE 40 38 38 ILE ILE B . n 
B 1 41 VAL 41 39 39 VAL VAL B . n 
B 1 42 GLN 42 40 40 GLN GLN B . n 
B 1 43 GLN 43 41 41 GLN GLN B . n 
B 1 44 GLN 44 42 42 GLN GLN B . n 
B 1 45 ASN 45 43 43 ASN ASN B . n 
B 1 46 ASN 46 44 44 ASN ASN B . n 
B 1 47 LEU 47 45 45 LEU LEU B . n 
B 1 48 LEU 48 46 46 LEU LEU B . n 
B 1 49 ARG 49 47 47 ARG ARG B . n 
B 1 50 ALA 50 48 48 ALA ALA B . n 
B 1 51 ILE 51 49 49 ILE ILE B . n 
B 1 52 GLU 52 50 50 GLU GLU B . n 
B 1 53 ALA 53 51 51 ALA ALA B . n 
B 1 54 GLN 54 52 52 GLN GLN B . n 
B 1 55 GLN 55 53 53 GLN GLN B . n 
B 1 56 HIS 56 54 54 HIS HIS B . n 
B 1 57 LEU 57 55 55 LEU LEU B . n 
B 1 58 LEU 58 56 56 LEU LEU B . n 
B 1 59 GLN 59 57 57 GLN GLN B . n 
B 1 60 LEU 60 58 58 LEU LEU B . n 
B 1 61 THR 61 59 59 THR THR B . n 
B 1 62 VAL 62 60 60 VAL VAL B . n 
B 1 63 TRP 63 61 61 TRP TRP B . n 
B 1 64 GLY 64 62 62 GLY GLY B . n 
B 1 65 ILE 65 63 63 ILE ILE B . n 
B 1 66 LYS 66 64 64 LYS LYS B . n 
B 1 67 GLN 67 65 65 GLN GLN B . n 
B 1 68 LEU 68 66 66 LEU LEU B . n 
B 1 69 GLN 69 67 67 GLN GLN B . n 
B 1 70 ALA 70 68 68 ALA ALA B . n 
B 1 71 ARG 71 69 69 ARG ARG B . n 
B 1 72 ILE 72 70 70 ILE ILE B . n 
B 1 73 LEU 73 71 71 LEU LEU B . n 
B 1 74 ALA 74 72 72 ALA ALA B . n 
B 1 75 VAL 75 73 73 VAL VAL B . n 
B 1 76 GLU 76 74 74 GLU GLU B . n 
B 1 77 ARG 77 75 75 ARG ARG B . n 
B 1 78 TYR 78 76 76 TYR TYR B . n 
B 1 79 LEU 79 77 77 LEU LEU B . n 
B 1 80 LYS 80 78 78 LYS LYS B . n 
B 1 81 ASP 81 79 79 ASP ASP B . n 
B 1 82 GLN 82 80 80 GLN GLN B . n 
B 1 83 GLN 83 81 81 GLN GLN B . n 
B 1 84 LYS 84 82 ?  ?   ?   B . n 
B 1 85 ARG 85 83 ?  ?   ?   B . 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 
C 2 HOH 1  101 130 HOH HOH A . 
C 2 HOH 2  102 76  HOH HOH A . 
C 2 HOH 3  103 8   HOH HOH A . 
C 2 HOH 4  104 44  HOH HOH A . 
C 2 HOH 5  105 87  HOH HOH A . 
C 2 HOH 6  106 5   HOH HOH A . 
C 2 HOH 7  107 1   HOH HOH A . 
C 2 HOH 8  108 36  HOH HOH A . 
C 2 HOH 9  109 14  HOH HOH A . 
C 2 HOH 10 110 58  HOH HOH A . 
C 2 HOH 11 111 2   HOH HOH A . 
C 2 HOH 12 112 3   HOH HOH A . 
C 2 HOH 13 113 7   HOH HOH A . 
C 2 HOH 14 114 112 HOH HOH A . 
C 2 HOH 15 115 28  HOH HOH A . 
C 2 HOH 16 116 62  HOH HOH A . 
C 2 HOH 17 117 135 HOH HOH A . 
C 2 HOH 18 118 45  HOH HOH A . 
C 2 HOH 19 119 27  HOH HOH A . 
C 2 HOH 20 120 6   HOH HOH A . 
C 2 HOH 21 121 40  HOH HOH A . 
C 2 HOH 22 122 59  HOH HOH A . 
C 2 HOH 23 123 47  HOH HOH A . 
C 2 HOH 24 124 34  HOH HOH A . 
D 2 HOH 1  101 18  HOH HOH B . 
D 2 HOH 2  102 52  HOH HOH B . 
D 2 HOH 3  103 54  HOH HOH B . 
D 2 HOH 4  104 11  HOH HOH B . 
D 2 HOH 5  105 33  HOH HOH B . 
D 2 HOH 6  106 25  HOH HOH B . 
D 2 HOH 7  107 15  HOH HOH B . 
D 2 HOH 8  108 13  HOH HOH B . 
D 2 HOH 9  109 24  HOH HOH B . 
D 2 HOH 10 110 29  HOH HOH B . 
D 2 HOH 11 111 73  HOH HOH B . 
D 2 HOH 12 112 30  HOH HOH B . 
D 2 HOH 13 113 92  HOH HOH B . 
D 2 HOH 14 114 69  HOH HOH B . 
D 2 HOH 15 115 132 HOH HOH B . 
D 2 HOH 16 116 37  HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A LYS 78 ? CG  ? A LYS 80 CG  
2  1 Y 1 A LYS 78 ? CD  ? A LYS 80 CD  
3  1 Y 1 A LYS 78 ? CE  ? A LYS 80 CE  
4  1 Y 1 A LYS 78 ? NZ  ? A LYS 80 NZ  
5  1 Y 1 B GLU 6  ? CG  ? B GLU 8  CG  
6  1 Y 1 B GLU 6  ? CD  ? B GLU 8  CD  
7  1 Y 1 B GLU 6  ? OE1 ? B GLU 8  OE1 
8  1 Y 1 B GLU 6  ? OE2 ? B GLU 8  OE2 
9  1 Y 1 B ARG 10 ? CG  ? B ARG 12 CG  
10 1 Y 1 B ARG 10 ? CD  ? B ARG 12 CD  
11 1 Y 1 B ARG 10 ? NE  ? B ARG 12 NE  
12 1 Y 1 B ARG 10 ? CZ  ? B ARG 12 CZ  
13 1 Y 1 B ARG 10 ? NH1 ? B ARG 12 NH1 
14 1 Y 1 B ARG 10 ? NH2 ? B ARG 12 NH2 
15 1 Y 1 B GLN 13 ? CG  ? B GLN 15 CG  
16 1 Y 1 B GLN 13 ? CD  ? B GLN 15 CD  
17 1 Y 1 B GLN 13 ? OE1 ? B GLN 15 OE1 
18 1 Y 1 B GLN 13 ? NE2 ? B GLN 15 NE2 
19 1 Y 1 B GLU 17 ? CG  ? B GLU 19 CG  
20 1 Y 1 B GLU 17 ? CD  ? B GLU 19 CD  
21 1 Y 1 B GLU 17 ? OE1 ? B GLU 19 OE1 
22 1 Y 1 B GLU 17 ? OE2 ? B GLU 19 OE2 
23 1 Y 1 B ARG 47 ? CG  ? B ARG 49 CG  
24 1 Y 1 B ARG 47 ? CD  ? B ARG 49 CD  
25 1 Y 1 B ARG 47 ? NE  ? B ARG 49 NE  
26 1 Y 1 B ARG 47 ? CZ  ? B ARG 49 CZ  
27 1 Y 1 B ARG 47 ? NH1 ? B ARG 49 NH1 
28 1 Y 1 B ARG 47 ? NH2 ? B ARG 49 NH2 
# 
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 ? ? ? dev_5246 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? 3.8.6    2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? 3.8.6    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                     9ARP 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     45.637 
_cell.length_a_esd                 ? 
_cell.length_b                     45.637 
_cell.length_b_esd                 ? 
_cell.length_c                     401.995 
_cell.length_c_esd                 ? 
_cell.volume                       725076.042 
_cell.volume_esd                   ? 
_cell.Z_PDB                        36 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9ARP 
_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                   9ARP 
_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             2.04 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          39.60 
_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              ? 
_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    
;200mM ammonium sulfate, 100mM sodium acetate,
25% w/v PEG 4000 at pH 4.6
;
_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         2017-11-28 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.00001 
_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 5.0.2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.00001 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   5.0.2 
_diffrn_source.pdbx_synchrotron_site       ALS 
# 
_reflns.B_iso_Wilson_estimate                          29.40 
_reflns.entry_id                                       9ARP 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.04 
_reflns.d_resolution_low                               44.67 
_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                                     6708 
_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                           96.92 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                17.9 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          2.85 
_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                                   0.998 
_reflns.pdbx_CC_star                                   0.999 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.04 
_reflns_shell.d_res_low                                     2.24 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.13 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             584 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.257 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.997 
_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                               53.67 
_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                                 9ARP 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.04 
_refine.ls_d_res_low                             44.67 
_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                     6708 
_refine.ls_number_reflns_R_free                  533 
_refine.ls_number_reflns_R_work                  10150 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    96.92 
_refine.ls_percent_reflns_R_free                 4.99 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.3236 
_refine.ls_R_factor_R_free                       0.3695 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.3211 
_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                          1.33 
_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                 50.6632 
_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                            0.4956 
_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                       2.04 
_refine_hist.d_res_low                        44.67 
_refine_hist.number_atoms_solvent             40 
_refine_hist.number_atoms_total               1175 
_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        1135 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_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' ? 0.0016  ? 1140 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.3079  ? 1535 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0250  ? 182  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0035  ? 201  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 19.1590 ? 437  ? 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' 2.04 2.24  . . 119 2254 88.84 . . . . 0.4246 . . . . . . . . . . . 0.4599 
'X-RAY DIFFRACTION' 2.24 2.57  . . 134 2572 99.85 . . . . 0.3927 . . . . . . . . . . . 0.3973 
'X-RAY DIFFRACTION' 2.57 3.23  . . 136 2583 99.78 . . . . 0.3390 . . . . . . . . . . . 0.3545 
'X-RAY DIFFRACTION' 3.23 44.67 . . 144 2741 98.90 . . . . 0.2700 . . . . . . . . . . . 0.3486 
# 
_struct.entry_id                     9ARP 
_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        9ARP 
_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 1 ? 
C N N 2 ? 
D N N 2 ? 
# 
_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 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9ARP A 34 ? 83 ? P04578 542 ? 591 ? 32 81 
2 1 9ARP B 34 ? 83 ? P04578 542 ? 591 ? 32 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 9ARP PRO A 1  ? UNP P04578 ? ? 'cloning artifact' -1 1  
1 9ARP GLU A 2  ? UNP P04578 ? ? 'cloning artifact' 0  2  
1 9ARP TYR A 3  ? UNP P04578 ? ? 'cloning artifact' 1  3  
1 9ARP THR A 4  ? UNP P04578 ? ? 'cloning artifact' 2  4  
1 9ARP SER A 5  ? UNP P04578 ? ? 'cloning artifact' 3  5  
1 9ARP ARG A 6  ? UNP P04578 ? ? 'cloning artifact' 4  6  
1 9ARP ILE A 7  ? UNP P04578 ? ? 'cloning artifact' 5  7  
1 9ARP GLU A 8  ? UNP P04578 ? ? 'cloning artifact' 6  8  
1 9ARP SER A 9  ? UNP P04578 ? ? 'cloning artifact' 7  9  
1 9ARP LEU A 10 ? UNP P04578 ? ? 'cloning artifact' 8  10 
1 9ARP ILE A 11 ? UNP P04578 ? ? 'cloning artifact' 9  11 
1 9ARP ARG A 12 ? UNP P04578 ? ? 'cloning artifact' 10 12 
1 9ARP GLU A 13 ? UNP P04578 ? ? 'cloning artifact' 11 13 
1 9ARP ALA A 14 ? UNP P04578 ? ? 'cloning artifact' 12 14 
1 9ARP GLN A 15 ? UNP P04578 ? ? 'cloning artifact' 13 15 
1 9ARP ASN A 16 ? UNP P04578 ? ? 'cloning artifact' 14 16 
1 9ARP GLN A 17 ? UNP P04578 ? ? 'cloning artifact' 15 17 
1 9ARP GLN A 18 ? UNP P04578 ? ? 'cloning artifact' 16 18 
1 9ARP GLU A 19 ? UNP P04578 ? ? 'cloning artifact' 17 19 
1 9ARP LYS A 20 ? UNP P04578 ? ? 'cloning artifact' 18 20 
1 9ARP ASN A 21 ? UNP P04578 ? ? 'cloning artifact' 19 21 
1 9ARP GLU A 22 ? UNP P04578 ? ? 'cloning artifact' 20 22 
1 9ARP GLN A 23 ? UNP P04578 ? ? 'cloning artifact' 21 23 
1 9ARP ALA A 24 ? UNP P04578 ? ? 'cloning artifact' 22 24 
1 9ARP LEU A 25 ? UNP P04578 ? ? 'cloning artifact' 23 25 
1 9ARP ARG A 26 ? UNP P04578 ? ? 'cloning artifact' 24 26 
1 9ARP GLU A 27 ? UNP P04578 ? ? 'cloning artifact' 25 27 
1 9ARP LEU A 28 ? UNP P04578 ? ? 'cloning artifact' 26 28 
1 9ARP ASP A 29 ? UNP P04578 ? ? 'cloning artifact' 27 29 
1 9ARP SER A 30 ? UNP P04578 ? ? 'cloning artifact' 28 30 
1 9ARP GLY A 31 ? UNP P04578 ? ? 'cloning artifact' 29 31 
1 9ARP GLY A 32 ? UNP P04578 ? ? 'cloning artifact' 30 32 
1 9ARP GLY A 33 ? UNP P04578 ? ? 'cloning artifact' 31 33 
1 9ARP LYS A 84 ? UNP P04578 ? ? 'expression tag'   82 34 
1 9ARP ARG A 85 ? UNP P04578 ? ? 'expression tag'   83 35 
2 9ARP PRO B 1  ? UNP P04578 ? ? 'cloning artifact' -1 36 
2 9ARP GLU B 2  ? UNP P04578 ? ? 'cloning artifact' 0  37 
2 9ARP TYR B 3  ? UNP P04578 ? ? 'cloning artifact' 1  38 
2 9ARP THR B 4  ? UNP P04578 ? ? 'cloning artifact' 2  39 
2 9ARP SER B 5  ? UNP P04578 ? ? 'cloning artifact' 3  40 
2 9ARP ARG B 6  ? UNP P04578 ? ? 'cloning artifact' 4  41 
2 9ARP ILE B 7  ? UNP P04578 ? ? 'cloning artifact' 5  42 
2 9ARP GLU B 8  ? UNP P04578 ? ? 'cloning artifact' 6  43 
2 9ARP SER B 9  ? UNP P04578 ? ? 'cloning artifact' 7  44 
2 9ARP LEU B 10 ? UNP P04578 ? ? 'cloning artifact' 8  45 
2 9ARP ILE B 11 ? UNP P04578 ? ? 'cloning artifact' 9  46 
2 9ARP ARG B 12 ? UNP P04578 ? ? 'cloning artifact' 10 47 
2 9ARP GLU B 13 ? UNP P04578 ? ? 'cloning artifact' 11 48 
2 9ARP ALA B 14 ? UNP P04578 ? ? 'cloning artifact' 12 49 
2 9ARP GLN B 15 ? UNP P04578 ? ? 'cloning artifact' 13 50 
2 9ARP ASN B 16 ? UNP P04578 ? ? 'cloning artifact' 14 51 
2 9ARP GLN B 17 ? UNP P04578 ? ? 'cloning artifact' 15 52 
2 9ARP GLN B 18 ? UNP P04578 ? ? 'cloning artifact' 16 53 
2 9ARP GLU B 19 ? UNP P04578 ? ? 'cloning artifact' 17 54 
2 9ARP LYS B 20 ? UNP P04578 ? ? 'cloning artifact' 18 55 
2 9ARP ASN B 21 ? UNP P04578 ? ? 'cloning artifact' 19 56 
2 9ARP GLU B 22 ? UNP P04578 ? ? 'cloning artifact' 20 57 
2 9ARP GLN B 23 ? UNP P04578 ? ? 'cloning artifact' 21 58 
2 9ARP ALA B 24 ? UNP P04578 ? ? 'cloning artifact' 22 59 
2 9ARP LEU B 25 ? UNP P04578 ? ? 'cloning artifact' 23 60 
2 9ARP ARG B 26 ? UNP P04578 ? ? 'cloning artifact' 24 61 
2 9ARP GLU B 27 ? UNP P04578 ? ? 'cloning artifact' 25 62 
2 9ARP LEU B 28 ? UNP P04578 ? ? 'cloning artifact' 26 63 
2 9ARP ASP B 29 ? UNP P04578 ? ? 'cloning artifact' 27 64 
2 9ARP SER B 30 ? UNP P04578 ? ? 'cloning artifact' 28 65 
2 9ARP GLY B 31 ? UNP P04578 ? ? 'cloning artifact' 29 66 
2 9ARP GLY B 32 ? UNP P04578 ? ? 'cloning artifact' 30 67 
2 9ARP GLY B 33 ? UNP P04578 ? ? 'cloning artifact' 31 68 
2 9ARP LYS B 84 ? UNP P04578 ? ? 'expression tag'   82 69 
2 9ARP ARG B 85 ? UNP P04578 ? ? 'expression tag'   83 70 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_and_software_defined_assembly PISA trimeric 3 
2 author_and_software_defined_assembly PISA trimeric 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)' 7090  ? 
1 MORE         -61   ? 
1 'SSA (A^2)'  11830 ? 
2 'ABSA (A^2)' 6760  ? 
2 MORE         -65   ? 
2 'SSA (A^2)'  11450 ? 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1,2,4 A,C 
2 1,3,5 B,D 
# 
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' 2_665 -y+1,x-y+1,z -0.5000000000 -0.8660254038 0.0000000000 22.8185000000  0.8660254038  
-0.5000000000 0.0000000000 39.5228013525 0.0000000000 0.0000000000 1.0000000000 0.0000000000 
4 '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 
5 'crystal symmetry operation' 3_565 -x+y,-x+1,z  -0.5000000000 0.8660254038  0.0000000000 -22.8185000000 -0.8660254038 
-0.5000000000 0.0000000000 39.5228013525 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 5  ? LEU A 25 ? SER A 3  LEU A 23 1 ? 21 
HELX_P HELX_P2 AA2 LEU A 36 ? GLN A 82 ? LEU A 34 GLN A 80 1 ? 47 
HELX_P HELX_P3 AA3 ILE B 7  ? LEU B 25 ? ILE B 5  LEU B 23 1 ? 19 
HELX_P HELX_P4 AA4 LEU B 36 ? GLN B 83 ? LEU B 34 GLN B 81 1 ? 48 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_pdbx_entry_details.entry_id                   9ARP 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 119 ? C HOH . 
2 1 A HOH 122 ? C HOH . 
# 
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 7.55870384444 -8.59386886185 79.5124222046  0.251568879292 ? 0.187537492797  ? -0.0447778541338 ? 
0.440788452374 ? 0.0958144893602   ? 0.352490247834 ? 0.888700490013 ? 1.44482145915  ? -0.739567977041 ? 3.53658400571  ? 
-0.925221089397  ? 5.27499214057 ? -0.325593203514 ? -0.267255378768 ? -0.512213107738 ? -0.873904769619 ? -0.136756572999 ? 
-0.0234282975171 ? 0.207032830704  ? 0.455499771091 ? 0.184129514086   ? 
2 'X-RAY DIFFRACTION' ? refined 3.3078385107  3.62138945872  59.5490712691  0.236082569999 ? 0.151431919571  ? 0.0169662036273  ? 
0.265878762104 ? -0.0339749206708  ? 0.133855754031 ? 0.449583439857 ? 0.464622644601 ? -0.535186986838 ? 0.679463355751 ? 
-1.49403807749   ? 4.1545608234  ? 0.0274400677247 ? -0.128672200711 ? 0.0479007422146 ? 0.155118180969  ? 0.0502754333708 ? 
0.0939427626338  ? -0.676797445681 ? 1.23342066539  ? -0.0405224697815 ? 
3 'X-RAY DIFFRACTION' ? refined 7.83994787674 34.1371294928  -8.79939796912 0.990307034711 ? -0.155630668423 ? 0.144648333476   ? 
1.03836379344  ? -0.00813110543108 ? 0.464197235916 ? 1.1327460903   ? 0.188470826451 ? -1.78496915424  ? 1.38315991643  ? 
-0.0306952003843 ? 2.86139992244 ? 0.630822238357  ? 0.331426713782  ? 0.847375626615  ? -0.600585115687 ? -0.360810911831 ? 
-1.06516882858   ? -0.190761267647 ? 0.835751259786 ? -0.405088241995  ? 
4 'X-RAY DIFFRACTION' ? refined 2.89283012548 22.2969987528  14.5981624012  0.599802904731 ? 0.0181697082352 ? 0.00547161157107 ? 
0.652987319201 ? -0.0121525515742  ? 0.283539208627 ? 0.160689152357 ? 0.154440903254 ? 0.675434992616  ? 1.65832798277  ? 
-0.590584986287  ? 6.6980995176  ? -0.155919154718 ? 0.446628251697  ? -0.113422372752 ? -0.467641867283 ? 0.0400684688378 ? 
-0.0591802975666 ? 1.24147078612   ? 0.16704178719  ? -0.0797148719554 ? 
# 
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 1  ? A 24 A 33 ? ? 
;chain 'A' and (resid 1 through 33 )
;
2 'X-RAY DIFFRACTION' 2 A 25 A 34 ? A 72 A 81 ? ? 
;chain 'A' and (resid 34 through 81 )
;
3 'X-RAY DIFFRACTION' 3 B 1  B 4  ? B 21 B 33 ? ? 
;chain 'B' and (resid 4 through 33 )
;
4 'X-RAY DIFFRACTION' 4 B 22 B 34 ? B 69 B 81 ? ? 
;chain 'B' and (resid 34 through 81 )
;
# 
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 GLU 0  ? A GLU 2  
3  1 Y 1 A ARG 24 ? A ARG 26 
4  1 Y 1 A GLU 25 ? A GLU 27 
5  1 Y 1 A LEU 26 ? A LEU 28 
6  1 Y 1 A ASP 27 ? A ASP 29 
7  1 Y 1 A SER 28 ? A SER 30 
8  1 Y 1 A GLY 29 ? A GLY 31 
9  1 Y 1 A GLY 30 ? A GLY 32 
10 1 Y 1 A GLY 31 ? A GLY 33 
11 1 Y 1 A ARG 32 ? A ARG 34 
12 1 Y 1 A LYS 82 ? A LYS 84 
13 1 Y 1 A ARG 83 ? A ARG 85 
14 1 Y 1 B PRO -1 ? B PRO 1  
15 1 Y 1 B GLU 0  ? B GLU 2  
16 1 Y 1 B TYR 1  ? B TYR 3  
17 1 Y 1 B THR 2  ? B THR 4  
18 1 Y 1 B SER 3  ? B SER 5  
19 1 Y 1 B ARG 24 ? B ARG 26 
20 1 Y 1 B GLU 25 ? B GLU 27 
21 1 Y 1 B LEU 26 ? B LEU 28 
22 1 Y 1 B ASP 27 ? B ASP 29 
23 1 Y 1 B SER 28 ? B SER 30 
24 1 Y 1 B GLY 29 ? B GLY 31 
25 1 Y 1 B GLY 30 ? B GLY 32 
26 1 Y 1 B GLY 31 ? B GLY 33 
27 1 Y 1 B ARG 32 ? B ARG 34 
28 1 Y 1 B LYS 82 ? B LYS 84 
29 1 Y 1 B ARG 83 ? B ARG 85 
# 
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 
HIS N    N N N 123 
HIS CA   C N S 124 
HIS C    C N N 125 
HIS O    O N N 126 
HIS CB   C N N 127 
HIS CG   C Y N 128 
HIS ND1  N Y N 129 
HIS CD2  C Y N 130 
HIS CE1  C Y N 131 
HIS NE2  N Y N 132 
HIS OXT  O N N 133 
HIS H    H N N 134 
HIS H2   H N N 135 
HIS HA   H N N 136 
HIS HB2  H N N 137 
HIS HB3  H N N 138 
HIS HD1  H N N 139 
HIS HD2  H N N 140 
HIS HE1  H N N 141 
HIS HE2  H N N 142 
HIS HXT  H N N 143 
HOH O    O N N 144 
HOH H1   H N N 145 
HOH H2   H N N 146 
ILE N    N N N 147 
ILE CA   C N S 148 
ILE C    C N N 149 
ILE O    O N N 150 
ILE CB   C N S 151 
ILE CG1  C N N 152 
ILE CG2  C N N 153 
ILE CD1  C N N 154 
ILE OXT  O N N 155 
ILE H    H N N 156 
ILE H2   H N N 157 
ILE HA   H N N 158 
ILE HB   H N N 159 
ILE HG12 H N N 160 
ILE HG13 H N N 161 
ILE HG21 H N N 162 
ILE HG22 H N N 163 
ILE HG23 H N N 164 
ILE HD11 H N N 165 
ILE HD12 H N N 166 
ILE HD13 H N N 167 
ILE HXT  H N N 168 
LEU N    N N N 169 
LEU CA   C N S 170 
LEU C    C N N 171 
LEU O    O N N 172 
LEU CB   C N N 173 
LEU CG   C N N 174 
LEU CD1  C N N 175 
LEU CD2  C N N 176 
LEU OXT  O N N 177 
LEU H    H N N 178 
LEU H2   H N N 179 
LEU HA   H N N 180 
LEU HB2  H N N 181 
LEU HB3  H N N 182 
LEU HG   H N N 183 
LEU HD11 H N N 184 
LEU HD12 H N N 185 
LEU HD13 H N N 186 
LEU HD21 H N N 187 
LEU HD22 H N N 188 
LEU HD23 H N N 189 
LEU HXT  H N N 190 
LYS N    N N N 191 
LYS CA   C N S 192 
LYS C    C N N 193 
LYS O    O N N 194 
LYS CB   C N N 195 
LYS CG   C N N 196 
LYS CD   C N N 197 
LYS CE   C N N 198 
LYS NZ   N N N 199 
LYS OXT  O N N 200 
LYS H    H N N 201 
LYS H2   H N N 202 
LYS HA   H N N 203 
LYS HB2  H N N 204 
LYS HB3  H N N 205 
LYS HG2  H N N 206 
LYS HG3  H N N 207 
LYS HD2  H N N 208 
LYS HD3  H N N 209 
LYS HE2  H N N 210 
LYS HE3  H N N 211 
LYS HZ1  H N N 212 
LYS HZ2  H N N 213 
LYS HZ3  H N N 214 
LYS HXT  H N N 215 
PRO N    N N N 216 
PRO CA   C N S 217 
PRO C    C N N 218 
PRO O    O N N 219 
PRO CB   C N N 220 
PRO CG   C N N 221 
PRO CD   C N N 222 
PRO OXT  O N N 223 
PRO H    H N N 224 
PRO HA   H N N 225 
PRO HB2  H N N 226 
PRO HB3  H N N 227 
PRO HG2  H N N 228 
PRO HG3  H N N 229 
PRO HD2  H N N 230 
PRO HD3  H N N 231 
PRO HXT  H N N 232 
SER N    N N N 233 
SER CA   C N S 234 
SER C    C N N 235 
SER O    O N N 236 
SER CB   C N N 237 
SER OG   O N N 238 
SER OXT  O N N 239 
SER H    H N N 240 
SER H2   H N N 241 
SER HA   H N N 242 
SER HB2  H N N 243 
SER HB3  H N N 244 
SER HG   H N N 245 
SER HXT  H N N 246 
THR N    N N N 247 
THR CA   C N S 248 
THR C    C N N 249 
THR O    O N N 250 
THR CB   C N R 251 
THR OG1  O N N 252 
THR CG2  C N N 253 
THR OXT  O N N 254 
THR H    H N N 255 
THR H2   H N N 256 
THR HA   H N N 257 
THR HB   H N N 258 
THR HG1  H N N 259 
THR HG21 H N N 260 
THR HG22 H N N 261 
THR HG23 H N N 262 
THR HXT  H N N 263 
TRP N    N N N 264 
TRP CA   C N S 265 
TRP C    C N N 266 
TRP O    O N N 267 
TRP CB   C N N 268 
TRP CG   C Y N 269 
TRP CD1  C Y N 270 
TRP CD2  C Y N 271 
TRP NE1  N Y N 272 
TRP CE2  C Y N 273 
TRP CE3  C Y N 274 
TRP CZ2  C Y N 275 
TRP CZ3  C Y N 276 
TRP CH2  C Y N 277 
TRP OXT  O N N 278 
TRP H    H N N 279 
TRP H2   H N N 280 
TRP HA   H N N 281 
TRP HB2  H N N 282 
TRP HB3  H N N 283 
TRP HD1  H N N 284 
TRP HE1  H N N 285 
TRP HE3  H N N 286 
TRP HZ2  H N N 287 
TRP HZ3  H N N 288 
TRP HH2  H N N 289 
TRP HXT  H N N 290 
TYR N    N N N 291 
TYR CA   C N S 292 
TYR C    C N N 293 
TYR O    O N N 294 
TYR CB   C N N 295 
TYR CG   C Y N 296 
TYR CD1  C Y N 297 
TYR CD2  C Y N 298 
TYR CE1  C Y N 299 
TYR CE2  C Y N 300 
TYR CZ   C Y N 301 
TYR OH   O N N 302 
TYR OXT  O N N 303 
TYR H    H N N 304 
TYR H2   H N N 305 
TYR HA   H N N 306 
TYR HB2  H N N 307 
TYR HB3  H N N 308 
TYR HD1  H N N 309 
TYR HD2  H N N 310 
TYR HE1  H N N 311 
TYR HE2  H N N 312 
TYR HH   H N N 313 
TYR HXT  H N N 314 
VAL N    N N N 315 
VAL CA   C N S 316 
VAL C    C N N 317 
VAL O    O N N 318 
VAL CB   C N N 319 
VAL CG1  C N N 320 
VAL CG2  C N N 321 
VAL OXT  O N N 322 
VAL H    H N N 323 
VAL H2   H N N 324 
VAL HA   H N N 325 
VAL HB   H N N 326 
VAL HG11 H N N 327 
VAL HG12 H N N 328 
VAL HG13 H N N 329 
VAL HG21 H N N 330 
VAL HG22 H N N 331 
VAL HG23 H N N 332 
VAL HXT  H N N 333 
# 
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 
HIS N   CA   sing N N 116 
HIS N   H    sing N N 117 
HIS N   H2   sing N N 118 
HIS CA  C    sing N N 119 
HIS CA  CB   sing N N 120 
HIS CA  HA   sing N N 121 
HIS C   O    doub N N 122 
HIS C   OXT  sing N N 123 
HIS CB  CG   sing N N 124 
HIS CB  HB2  sing N N 125 
HIS CB  HB3  sing N N 126 
HIS CG  ND1  sing Y N 127 
HIS CG  CD2  doub Y N 128 
HIS ND1 CE1  doub Y N 129 
HIS ND1 HD1  sing N N 130 
HIS CD2 NE2  sing Y N 131 
HIS CD2 HD2  sing N N 132 
HIS CE1 NE2  sing Y N 133 
HIS CE1 HE1  sing N N 134 
HIS NE2 HE2  sing N N 135 
HIS OXT HXT  sing N N 136 
HOH O   H1   sing N N 137 
HOH O   H2   sing N N 138 
ILE N   CA   sing N N 139 
ILE N   H    sing N N 140 
ILE N   H2   sing N N 141 
ILE CA  C    sing N N 142 
ILE CA  CB   sing N N 143 
ILE CA  HA   sing N N 144 
ILE C   O    doub N N 145 
ILE C   OXT  sing N N 146 
ILE CB  CG1  sing N N 147 
ILE CB  CG2  sing N N 148 
ILE CB  HB   sing N N 149 
ILE CG1 CD1  sing N N 150 
ILE CG1 HG12 sing N N 151 
ILE CG1 HG13 sing N N 152 
ILE CG2 HG21 sing N N 153 
ILE CG2 HG22 sing N N 154 
ILE CG2 HG23 sing N N 155 
ILE CD1 HD11 sing N N 156 
ILE CD1 HD12 sing N N 157 
ILE CD1 HD13 sing N N 158 
ILE OXT HXT  sing N N 159 
LEU N   CA   sing N N 160 
LEU N   H    sing N N 161 
LEU N   H2   sing N N 162 
LEU CA  C    sing N N 163 
LEU CA  CB   sing N N 164 
LEU CA  HA   sing N N 165 
LEU C   O    doub N N 166 
LEU C   OXT  sing N N 167 
LEU CB  CG   sing N N 168 
LEU CB  HB2  sing N N 169 
LEU CB  HB3  sing N N 170 
LEU CG  CD1  sing N N 171 
LEU CG  CD2  sing N N 172 
LEU CG  HG   sing N N 173 
LEU CD1 HD11 sing N N 174 
LEU CD1 HD12 sing N N 175 
LEU CD1 HD13 sing N N 176 
LEU CD2 HD21 sing N N 177 
LEU CD2 HD22 sing N N 178 
LEU CD2 HD23 sing N N 179 
LEU OXT HXT  sing N N 180 
LYS N   CA   sing N N 181 
LYS N   H    sing N N 182 
LYS N   H2   sing N N 183 
LYS CA  C    sing N N 184 
LYS CA  CB   sing N N 185 
LYS CA  HA   sing N N 186 
LYS C   O    doub N N 187 
LYS C   OXT  sing N N 188 
LYS CB  CG   sing N N 189 
LYS CB  HB2  sing N N 190 
LYS CB  HB3  sing N N 191 
LYS CG  CD   sing N N 192 
LYS CG  HG2  sing N N 193 
LYS CG  HG3  sing N N 194 
LYS CD  CE   sing N N 195 
LYS CD  HD2  sing N N 196 
LYS CD  HD3  sing N N 197 
LYS CE  NZ   sing N N 198 
LYS CE  HE2  sing N N 199 
LYS CE  HE3  sing N N 200 
LYS NZ  HZ1  sing N N 201 
LYS NZ  HZ2  sing N N 202 
LYS NZ  HZ3  sing N N 203 
LYS OXT HXT  sing N N 204 
PRO N   CA   sing N N 205 
PRO N   CD   sing N N 206 
PRO N   H    sing N N 207 
PRO CA  C    sing N N 208 
PRO CA  CB   sing N N 209 
PRO CA  HA   sing N N 210 
PRO C   O    doub N N 211 
PRO C   OXT  sing N N 212 
PRO CB  CG   sing N N 213 
PRO CB  HB2  sing N N 214 
PRO CB  HB3  sing N N 215 
PRO CG  CD   sing N N 216 
PRO CG  HG2  sing N N 217 
PRO CG  HG3  sing N N 218 
PRO CD  HD2  sing N N 219 
PRO CD  HD3  sing N N 220 
PRO OXT HXT  sing N N 221 
SER N   CA   sing N N 222 
SER N   H    sing N N 223 
SER N   H2   sing N N 224 
SER CA  C    sing N N 225 
SER CA  CB   sing N N 226 
SER CA  HA   sing N N 227 
SER C   O    doub N N 228 
SER C   OXT  sing N N 229 
SER CB  OG   sing N N 230 
SER CB  HB2  sing N N 231 
SER CB  HB3  sing N N 232 
SER OG  HG   sing N N 233 
SER OXT HXT  sing N N 234 
THR N   CA   sing N N 235 
THR N   H    sing N N 236 
THR N   H2   sing N N 237 
THR CA  C    sing N N 238 
THR CA  CB   sing N N 239 
THR CA  HA   sing N N 240 
THR C   O    doub N N 241 
THR C   OXT  sing N N 242 
THR CB  OG1  sing N N 243 
THR CB  CG2  sing N N 244 
THR CB  HB   sing N N 245 
THR OG1 HG1  sing N N 246 
THR CG2 HG21 sing N N 247 
THR CG2 HG22 sing N N 248 
THR CG2 HG23 sing N N 249 
THR OXT HXT  sing N N 250 
TRP N   CA   sing N N 251 
TRP N   H    sing N N 252 
TRP N   H2   sing N N 253 
TRP CA  C    sing N N 254 
TRP CA  CB   sing N N 255 
TRP CA  HA   sing N N 256 
TRP C   O    doub N N 257 
TRP C   OXT  sing N N 258 
TRP CB  CG   sing N N 259 
TRP CB  HB2  sing N N 260 
TRP CB  HB3  sing N N 261 
TRP CG  CD1  doub Y N 262 
TRP CG  CD2  sing Y N 263 
TRP CD1 NE1  sing Y N 264 
TRP CD1 HD1  sing N N 265 
TRP CD2 CE2  doub Y N 266 
TRP CD2 CE3  sing Y N 267 
TRP NE1 CE2  sing Y N 268 
TRP NE1 HE1  sing N N 269 
TRP CE2 CZ2  sing Y N 270 
TRP CE3 CZ3  doub Y N 271 
TRP CE3 HE3  sing N N 272 
TRP CZ2 CH2  doub Y N 273 
TRP CZ2 HZ2  sing N N 274 
TRP CZ3 CH2  sing Y N 275 
TRP CZ3 HZ3  sing N N 276 
TRP CH2 HH2  sing N N 277 
TRP OXT HXT  sing N N 278 
TYR N   CA   sing N N 279 
TYR N   H    sing N N 280 
TYR N   H2   sing N N 281 
TYR CA  C    sing N N 282 
TYR CA  CB   sing N N 283 
TYR CA  HA   sing N N 284 
TYR C   O    doub N N 285 
TYR C   OXT  sing N N 286 
TYR CB  CG   sing N N 287 
TYR CB  HB2  sing N N 288 
TYR CB  HB3  sing N N 289 
TYR CG  CD1  doub Y N 290 
TYR CG  CD2  sing Y N 291 
TYR CD1 CE1  sing Y N 292 
TYR CD1 HD1  sing N N 293 
TYR CD2 CE2  doub Y N 294 
TYR CD2 HD2  sing N N 295 
TYR CE1 CZ   doub Y N 296 
TYR CE1 HE1  sing N N 297 
TYR CE2 CZ   sing Y N 298 
TYR CE2 HE2  sing N N 299 
TYR CZ  OH   sing N N 300 
TYR OH  HH   sing N N 301 
TYR OXT HXT  sing N N 302 
VAL N   CA   sing N N 303 
VAL N   H    sing N N 304 
VAL N   H2   sing N N 305 
VAL CA  C    sing N N 306 
VAL CA  CB   sing N N 307 
VAL CA  HA   sing N N 308 
VAL C   O    doub N N 309 
VAL C   OXT  sing N N 310 
VAL CB  CG1  sing N N 311 
VAL CB  CG2  sing N N 312 
VAL CB  HB   sing N N 313 
VAL CG1 HG11 sing N N 314 
VAL CG1 HG12 sing N N 315 
VAL CG1 HG13 sing N N 316 
VAL CG2 HG21 sing N N 317 
VAL CG2 HG22 sing N N 318 
VAL CG2 HG23 sing N N 319 
VAL OXT HXT  sing N N 320 
# 
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                    9ARP 
_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]   0.021912 
_atom_sites.fract_transf_matrix[1][2]   0.012651 
_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]   0.025302 
_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]   0.002488 
_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.
;
? 
O1- ? ? 5.12366 3.84317 ? ? 3.49406  27.47979 ? ? 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   . TYR A 1 3  ? 9.57925  -3.23105  59.57117  1.000 87.09968  ?  1   TYR A N   1 
ATOM   2    C CA  . TYR A 1 3  ? 10.05370 -4.31271  60.42726  1.000 80.65474  ?  1   TYR A CA  1 
ATOM   3    C C   . TYR A 1 3  ? 10.73010 -3.77565  61.68176  1.000 84.13888  ?  1   TYR A C   1 
ATOM   4    O O   . TYR A 1 3  ? 11.50447 -2.82077  61.62053  1.000 86.15717  ?  1   TYR A O   1 
ATOM   5    C CB  . TYR A 1 3  ? 11.02209 -5.21874  59.66184  1.000 88.90601  ?  1   TYR A CB  1 
ATOM   6    C CG  . TYR A 1 3  ? 12.10682 -5.82966  60.52704  1.000 107.76591 ?  1   TYR A CG  1 
ATOM   7    C CD1 . TYR A 1 3  ? 13.38798 -5.28874  60.55705  1.000 106.96924 ?  1   TYR A CD1 1 
ATOM   8    C CD2 . TYR A 1 3  ? 11.84892 -6.94337  61.31639  1.000 106.10121 ?  1   TYR A CD2 1 
ATOM   9    C CE1 . TYR A 1 3  ? 14.37871 -5.84210  61.34470  1.000 104.44857 ?  1   TYR A CE1 1 
ATOM   10   C CE2 . TYR A 1 3  ? 12.83467 -7.50332  62.10778  1.000 98.84775  ?  1   TYR A CE2 1 
ATOM   11   C CZ  . TYR A 1 3  ? 14.09647 -6.94861  62.11830  1.000 99.45990  ?  1   TYR A CZ  1 
ATOM   12   O OH  . TYR A 1 3  ? 15.08041 -7.50335  62.90372  1.000 82.98083  ?  1   TYR A OH  1 
ATOM   13   N N   . THR A 1 4  ? 10.43176 -4.39591  62.82080  1.000 86.68654  ?  2   THR A N   1 
ATOM   14   C CA  . THR A 1 4  ? 11.09297 -4.05774  64.07645  1.000 88.16098  ?  2   THR A CA  1 
ATOM   15   C C   . THR A 1 4  ? 11.00775 -5.25796  65.00416  1.000 85.87073  ?  2   THR A C   1 
ATOM   16   O O   . THR A 1 4  ? 9.91256  -5.63215  65.43459  1.000 86.02427  ?  2   THR A O   1 
ATOM   17   C CB  . THR A 1 4  ? 10.46070 -2.83086  64.73782  1.000 86.25315  ?  2   THR A CB  1 
ATOM   18   O OG1 . THR A 1 4  ? 10.57457 -1.69880  63.86729  1.000 97.75461  ?  2   THR A OG1 1 
ATOM   19   C CG2 . THR A 1 4  ? 11.16283 -2.52415  66.05197  1.000 73.86461  ?  2   THR A CG2 1 
ATOM   20   N N   . SER A 1 5  ? 12.15804 -5.85991  65.30496  1.000 87.41144  ?  3   SER A N   1 
ATOM   21   C CA  . SER A 1 5  ? 12.21606 -6.92693  66.29349  1.000 61.53943  ?  3   SER A CA  1 
ATOM   22   C C   . SER A 1 5  ? 12.32576 -6.40022  67.71751  1.000 75.38207  ?  3   SER A C   1 
ATOM   23   O O   . SER A 1 5  ? 12.20224 -7.18752  68.66190  1.000 69.53454  ?  3   SER A O   1 
ATOM   24   C CB  . SER A 1 5  ? 13.39428 -7.85774  65.99794  1.000 63.40453  ?  3   SER A CB  1 
ATOM   25   O OG  . SER A 1 5  ? 13.47103 -8.89876  66.95614  1.000 61.06138  ?  3   SER A OG  1 
ATOM   26   N N   . ARG A 1 6  ? 12.55696 -5.09544  67.89252  1.000 74.87385  ?  4   ARG A N   1 
ATOM   27   C CA  . ARG A 1 6  ? 12.62806 -4.53024  69.23580  1.000 45.60999  ?  4   ARG A CA  1 
ATOM   28   C C   . ARG A 1 6  ? 11.27411 -4.59221  69.92921  1.000 56.29182  ?  4   ARG A C   1 
ATOM   29   O O   . ARG A 1 6  ? 11.19971 -4.84341  71.13759  1.000 62.83779  ?  4   ARG A O   1 
ATOM   30   C CB  . ARG A 1 6  ? 13.13119 -3.08735  69.17800  1.000 51.57697  ?  4   ARG A CB  1 
ATOM   31   C CG  . ARG A 1 6  ? 13.38945 -2.47290  70.54661  1.000 49.99526  ?  4   ARG A CG  1 
ATOM   32   C CD  . ARG A 1 6  ? 13.71535 -0.98825  70.45930  1.000 44.22759  ?  4   ARG A CD  1 
ATOM   33   N NE  . ARG A 1 6  ? 12.63303 -0.16094  70.98022  1.000 71.88533  ?  4   ARG A NE  1 
ATOM   34   C CZ  . ARG A 1 6  ? 12.76459 1.11032   71.33449  1.000 73.41961  ?  4   ARG A CZ  1 
ATOM   35   N NH1 . ARG A 1 6  ? 13.92661 1.73647   71.24405  1.000 82.52784  ?  4   ARG A NH1 1 
ATOM   36   N NH2 . ARG A 1 6  ? 11.70529 1.76767   71.79857  1.000 44.19460  ?  4   ARG A NH2 1 
ATOM   37   N N   . ILE A 1 7  ? 10.19161 -4.36135  69.18003  1.000 60.24023  ?  5   ILE A N   1 
ATOM   38   C CA  . ILE A 1 7  ? 8.85258  -4.44391  69.75846  1.000 56.29864  ?  5   ILE A CA  1 
ATOM   39   C C   . ILE A 1 7  ? 8.60773  -5.83303  70.32892  1.000 50.80950  ?  5   ILE A C   1 
ATOM   40   O O   . ILE A 1 7  ? 8.02743  -5.98395  71.41118  1.000 47.77821  ?  5   ILE A O   1 
ATOM   41   C CB  . ILE A 1 7  ? 7.78651  -4.07529  68.71051  1.000 38.75264  ?  5   ILE A CB  1 
ATOM   42   C CG1 . ILE A 1 7  ? 8.13986  -2.75853  68.01857  1.000 43.46423  ?  5   ILE A CG1 1 
ATOM   43   C CG2 . ILE A 1 7  ? 6.41814  -3.98764  69.36555  1.000 52.93235  ?  5   ILE A CG2 1 
ATOM   44   C CD1 . ILE A 1 7  ? 7.16379  -2.35637  66.93257  1.000 51.63113  ?  5   ILE A CD1 1 
ATOM   45   N N   . GLU A 1 8  ? 9.04262  -6.86940  69.60789  1.000 59.28726  ?  6   GLU A N   1 
ATOM   46   C CA  . GLU A 1 8  ? 8.93117  -8.22951  70.12307  1.000 62.58081  ?  6   GLU A CA  1 
ATOM   47   C C   . GLU A 1 8  ? 9.67324  -8.37874  71.44426  1.000 60.10029  ?  6   GLU A C   1 
ATOM   48   O O   . GLU A 1 8  ? 9.12398  -8.91088  72.41598  1.000 60.50248  ?  6   GLU A O   1 
ATOM   49   C CB  . GLU A 1 8  ? 9.46364  -9.22617  69.09310  1.000 71.16119  ?  6   GLU A CB  1 
ATOM   50   C CG  . GLU A 1 8  ? 9.58247  -10.65067 69.61327  1.000 66.81155  ?  6   GLU A CG  1 
ATOM   51   C CD  . GLU A 1 8  ? 10.08889 -11.61659 68.56043  1.000 91.58966  ?  6   GLU A CD  1 
ATOM   52   O OE1 . GLU A 1 8  ? 9.61492  -11.54207 67.40750  1.000 89.24892  ?  6   GLU A OE1 1 
ATOM   53   O OE2 . GLU A 1 8  ? 10.96701 -12.44461 68.88343  1.000 104.34455 -1 6   GLU A OE2 1 
ATOM   54   N N   . SER A 1 9  ? 10.91972 -7.90111  71.50272  1.000 57.86723  ?  7   SER A N   1 
ATOM   55   C CA  . SER A 1 9  ? 11.69866 -8.00338  72.73277  1.000 53.40248  ?  7   SER A CA  1 
ATOM   56   C C   . SER A 1 9  ? 11.03744 -7.23723  73.87147  1.000 60.10812  ?  7   SER A C   1 
ATOM   57   O O   . SER A 1 9  ? 11.08371 -7.66801  75.02960  1.000 40.74949  ?  7   SER A O   1 
ATOM   58   C CB  . SER A 1 9  ? 13.12031 -7.49347  72.49640  1.000 49.97917  ?  7   SER A CB  1 
ATOM   59   O OG  . SER A 1 9  ? 13.77411 -8.26071  71.49976  1.000 63.75158  ?  7   SER A OG  1 
ATOM   60   N N   . LEU A 1 10 ? 10.41525 -6.09742  73.56214  1.000 48.63873  ?  8   LEU A N   1 
ATOM   61   C CA  . LEU A 1 10 ? 9.71385  -5.34304  74.59463  1.000 42.87811  ?  8   LEU A CA  1 
ATOM   62   C C   . LEU A 1 10 ? 8.45614  -6.06658  75.05776  1.000 54.70076  ?  8   LEU A C   1 
ATOM   63   O O   . LEU A 1 10 ? 8.10568  -5.99947  76.24143  1.000 48.02696  ?  8   LEU A O   1 
ATOM   64   C CB  . LEU A 1 10 ? 9.36772  -3.94408  74.08237  1.000 46.58589  ?  8   LEU A CB  1 
ATOM   65   C CG  . LEU A 1 10 ? 10.52561 -3.03565  73.65509  1.000 38.37994  ?  8   LEU A CG  1 
ATOM   66   C CD1 . LEU A 1 10 ? 10.01487 -1.78121  72.96298  1.000 30.72981  ?  8   LEU A CD1 1 
ATOM   67   C CD2 . LEU A 1 10 ? 11.39776 -2.66637  74.84340  1.000 59.33642  ?  8   LEU A CD2 1 
ATOM   68   N N   . ILE A 1 11 ? 7.77241  -6.76267  74.14662  1.000 40.17537  ?  9   ILE A N   1 
ATOM   69   C CA  . ILE A 1 11 ? 6.59230  -7.53179  74.52605  1.000 30.15763  ?  9   ILE A CA  1 
ATOM   70   C C   . ILE A 1 11 ? 6.97448  -8.67755  75.45785  1.000 39.05721  ?  9   ILE A C   1 
ATOM   71   O O   . ILE A 1 11 ? 6.27892  -8.94943  76.44373  1.000 40.28381  ?  9   ILE A O   1 
ATOM   72   C CB  . ILE A 1 11 ? 5.85898  -8.03271  73.26730  1.000 37.65175  ?  9   ILE A CB  1 
ATOM   73   C CG1 . ILE A 1 11 ? 5.04685  -6.89880  72.63129  1.000 43.36370  ?  9   ILE A CG1 1 
ATOM   74   C CG2 . ILE A 1 11 ? 4.95566  -9.20318  73.59907  1.000 39.99966  ?  9   ILE A CG2 1 
ATOM   75   C CD1 . ILE A 1 11 ? 4.18049  -7.33991  71.46326  1.000 50.71487  ?  9   ILE A CD1 1 
ATOM   76   N N   . ARG A 1 12 ? 8.08297  -9.36655  75.16877  1.000 31.41193  ?  10  ARG A N   1 
ATOM   77   C CA  . ARG A 1 12 ? 8.52896  -10.43179 76.06383  1.000 46.56210  ?  10  ARG A CA  1 
ATOM   78   C C   . ARG A 1 12 ? 9.00747  -9.87087  77.39648  1.000 48.99950  ?  10  ARG A C   1 
ATOM   79   O O   . ARG A 1 12 ? 8.85362  -10.52288 78.43627  1.000 53.24504  ?  10  ARG A O   1 
ATOM   80   C CB  . ARG A 1 12 ? 9.64593  -11.25549 75.41433  1.000 36.95883  ?  10  ARG A CB  1 
ATOM   81   C CG  . ARG A 1 12 ? 9.40492  -11.62866 73.95851  1.000 55.83796  ?  10  ARG A CG  1 
ATOM   82   C CD  . ARG A 1 12 ? 8.96899  -13.07471 73.72638  1.000 49.98601  ?  10  ARG A CD  1 
ATOM   83   N NE  . ARG A 1 12 ? 8.69397  -13.25928 72.30343  1.000 83.70449  ?  10  ARG A NE  1 
ATOM   84   C CZ  . ARG A 1 12 ? 8.04886  -14.29083 71.76944  1.000 85.24906  ?  10  ARG A CZ  1 
ATOM   85   N NH1 . ARG A 1 12 ? 7.66143  -15.32426 72.50227  1.000 67.05973  ?  10  ARG A NH1 1 
ATOM   86   N NH2 . ARG A 1 12 ? 7.77387  -14.27749 70.46557  1.000 71.70684  ?  10  ARG A NH2 1 
ATOM   87   N N   . GLU A 1 13 ? 9.58490  -8.66790  77.38562  1.000 61.14110  ?  11  GLU A N   1 
ATOM   88   C CA  . GLU A 1 13 ? 10.08291 -8.07374  78.62102  1.000 53.51511  ?  11  GLU A CA  1 
ATOM   89   C C   . GLU A 1 13 ? 8.93566  -7.66808  79.53760  1.000 49.31996  ?  11  GLU A C   1 
ATOM   90   O O   . GLU A 1 13 ? 9.02729  -7.81985  80.76160  1.000 42.19293  ?  11  GLU A O   1 
ATOM   91   C CB  . GLU A 1 13 ? 10.97267 -6.87505  78.29717  1.000 64.19297  ?  11  GLU A CB  1 
ATOM   92   C CG  . GLU A 1 13 ? 12.23175 -6.79576  79.13778  1.000 70.74293  ?  11  GLU A CG  1 
ATOM   93   C CD  . GLU A 1 13 ? 13.39177 -6.18720  78.37632  1.000 93.80092  ?  11  GLU A CD  1 
ATOM   94   O OE1 . GLU A 1 13 ? 13.40963 -4.95128  78.19587  1.000 82.41666  ?  11  GLU A OE1 1 
ATOM   95   O OE2 . GLU A 1 13 ? 14.27899 -6.95107  77.94112  1.000 97.26683  -1 11  GLU A OE2 1 
ATOM   96   N N   . ALA A 1 14 ? 7.84733  -7.14866  78.96376  1.000 44.45978  ?  12  ALA A N   1 
ATOM   97   C CA  . ALA A 1 14 ? 6.65235  -6.88257  79.75570  1.000 43.36061  ?  12  ALA A CA  1 
ATOM   98   C C   . ALA A 1 14 ? 5.97299  -8.17657  80.18401  1.000 50.55361  ?  12  ALA A C   1 
ATOM   99   O O   . ALA A 1 14 ? 5.28912  -8.20687  81.21341  1.000 38.86054  ?  12  ALA A O   1 
ATOM   100  C CB  . ALA A 1 14 ? 5.68154  -6.00404  78.96649  1.000 46.14808  ?  12  ALA A CB  1 
ATOM   101  N N   . GLN A 1 15 ? 6.14996  -9.24889  79.40990  1.000 40.82290  ?  13  GLN A N   1 
ATOM   102  C CA  . GLN A 1 15 ? 5.60571  -10.54730 79.79296  1.000 38.11756  ?  13  GLN A CA  1 
ATOM   103  C C   . GLN A 1 15 ? 6.29170  -11.07949 81.04503  1.000 51.63282  ?  13  GLN A C   1 
ATOM   104  O O   . GLN A 1 15 ? 5.62761  -11.55559 81.97352  1.000 47.57173  ?  13  GLN A O   1 
ATOM   105  C CB  . GLN A 1 15 ? 5.75028  -11.53356 78.63310  1.000 49.35865  ?  13  GLN A CB  1 
ATOM   106  C CG  . GLN A 1 15 ? 5.55954  -12.99035 79.02111  1.000 67.18360  ?  13  GLN A CG  1 
ATOM   107  C CD  . GLN A 1 15 ? 4.16389  -13.28085 79.53894  1.000 80.63666  ?  13  GLN A CD  1 
ATOM   108  O OE1 . GLN A 1 15 ? 3.98968  -14.03265 80.49701  1.000 58.20146  ?  13  GLN A OE1 1 
ATOM   109  N NE2 . GLN A 1 15 ? 3.15963  -12.69020 78.90072  1.000 75.18512  ?  13  GLN A NE2 1 
ATOM   110  N N   . ASN A 1 16 ? 7.62489  -11.00325 81.08926  1.000 44.90841  ?  14  ASN A N   1 
ATOM   111  C CA  . ASN A 1 16 ? 8.35091  -11.43936 82.27832  1.000 50.84943  ?  14  ASN A CA  1 
ATOM   112  C C   . ASN A 1 16 ? 8.00218  -10.58020 83.48573  1.000 54.87394  ?  14  ASN A C   1 
ATOM   113  O O   . ASN A 1 16 ? 7.83545  -11.09671 84.59711  1.000 54.63048  ?  14  ASN A O   1 
ATOM   114  C CB  . ASN A 1 16 ? 9.85725  -11.40657 82.02269  1.000 57.55612  ?  14  ASN A CB  1 
ATOM   115  C CG  . ASN A 1 16 ? 10.35520 -12.64848 81.31032  1.000 62.45873  ?  14  ASN A CG  1 
ATOM   116  O OD1 . ASN A 1 16 ? 11.12026 -12.56379 80.34999  1.000 75.72536  ?  14  ASN A OD1 1 
ATOM   117  N ND2 . ASN A 1 16 ? 9.92229  -13.81296 81.78036  1.000 81.27591  ?  14  ASN A ND2 1 
ATOM   118  N N   . GLN A 1 17 ? 7.88889  -9.26450  83.28933  1.000 40.74257  ?  15  GLN A N   1 
ATOM   119  C CA  . GLN A 1 17 ? 7.55758  -8.38389  84.40383  1.000 44.49317  ?  15  GLN A CA  1 
ATOM   120  C C   . GLN A 1 17 ? 6.13133  -8.60821  84.88883  1.000 47.47439  ?  15  GLN A C   1 
ATOM   121  O O   . GLN A 1 17 ? 5.83700  -8.38879  86.06982  1.000 53.25199  ?  15  GLN A O   1 
ATOM   122  C CB  . GLN A 1 17 ? 7.75844  -6.92269  84.00076  1.000 39.77741  ?  15  GLN A CB  1 
ATOM   123  C CG  . GLN A 1 17 ? 7.73444  -5.95087  85.16944  1.000 49.34715  ?  15  GLN A CG  1 
ATOM   124  C CD  . GLN A 1 17 ? 8.85681  -6.20538  86.15841  1.000 62.92571  ?  15  GLN A CD  1 
ATOM   125  O OE1 . GLN A 1 17 ? 10.03285 -6.20237  85.79411  1.000 66.21352  ?  15  GLN A OE1 1 
ATOM   126  N NE2 . GLN A 1 17 ? 8.49754  -6.43319  87.41696  1.000 59.21197  ?  15  GLN A NE2 1 
ATOM   127  N N   . GLN A 1 18 ? 5.23863  -9.04965  84.00024  1.000 40.50975  ?  16  GLN A N   1 
ATOM   128  C CA  . GLN A 1 18 ? 3.85708  -9.30155  84.39762  1.000 54.51910  ?  16  GLN A CA  1 
ATOM   129  C C   . GLN A 1 18 ? 3.76405  -10.50135 85.33193  1.000 52.45589  ?  16  GLN A C   1 
ATOM   130  O O   . GLN A 1 18 ? 3.05100  -10.46168 86.34165  1.000 44.18458  ?  16  GLN A O   1 
ATOM   131  C CB  . GLN A 1 18 ? 2.98510  -9.51498  83.15968  1.000 33.82433  ?  16  GLN A CB  1 
ATOM   132  C CG  . GLN A 1 18 ? 1.52158  -9.79157  83.47112  1.000 43.06831  ?  16  GLN A CG  1 
ATOM   133  C CD  . GLN A 1 18 ? 0.82124  -8.60079  84.09706  1.000 37.16510  ?  16  GLN A CD  1 
ATOM   134  O OE1 . GLN A 1 18 ? 1.26021  -7.45960  83.95147  1.000 38.54737  ?  16  GLN A OE1 1 
ATOM   135  N NE2 . GLN A 1 18 ? -0.27513 -8.86172  84.79980  1.000 38.94900  ?  16  GLN A NE2 1 
ATOM   136  N N   . GLU A 1 19 ? 4.47430  -11.58445 85.00642  1.000 38.63016  ?  17  GLU A N   1 
ATOM   137  C CA  . GLU A 1 19 ? 4.46737  -12.75881 85.87224  1.000 47.15371  ?  17  GLU A CA  1 
ATOM   138  C C   . GLU A 1 19 ? 5.07225  -12.44216 87.23142  1.000 62.59689  ?  17  GLU A C   1 
ATOM   139  O O   . GLU A 1 19 ? 4.56254  -12.88687 88.26638  1.000 45.27849  ?  17  GLU A O   1 
ATOM   140  C CB  . GLU A 1 19 ? 5.23178  -13.90384 85.21566  1.000 56.78114  ?  17  GLU A CB  1 
ATOM   141  C CG  . GLU A 1 19 ? 4.71096  -14.30161 83.85634  1.000 58.32350  ?  17  GLU A CG  1 
ATOM   142  C CD  . GLU A 1 19 ? 5.40243  -15.54106 83.32072  1.000 81.38538  ?  17  GLU A CD  1 
ATOM   143  O OE1 . GLU A 1 19 ? 5.48072  -15.70158 82.08324  1.000 76.43758  ?  17  GLU A OE1 1 
ATOM   144  O OE2 . GLU A 1 19 ? 5.87534  -16.35245 84.14422  1.000 81.81368  -1 17  GLU A OE2 1 
ATOM   145  N N   . LYS A 1 20 ? 6.16347  -11.67401 87.24543  1.000 58.84543  ?  18  LYS A N   1 
ATOM   146  C CA  . LYS A 1 20 ? 6.78196  -11.28966 88.50840  1.000 60.43351  ?  18  LYS A CA  1 
ATOM   147  C C   . LYS A 1 20 ? 5.84068  -10.45254 89.36072  1.000 54.79096  ?  18  LYS A C   1 
ATOM   148  O O   . LYS A 1 20 ? 5.88075  -10.53828 90.59290  1.000 64.50989  ?  18  LYS A O   1 
ATOM   149  C CB  . LYS A 1 20 ? 8.08096  -10.52929 88.24638  1.000 33.10792  ?  18  LYS A CB  1 
ATOM   150  C CG  . LYS A 1 20 ? 9.15675  -11.35758 87.56281  1.000 56.32531  ?  18  LYS A CG  1 
ATOM   151  C CD  . LYS A 1 20 ? 10.46083 -10.58278 87.47280  1.000 60.76803  ?  18  LYS A CD  1 
ATOM   152  C CE  . LYS A 1 20 ? 11.60097 -11.47848 87.01679  1.000 50.50064  ?  18  LYS A CE  1 
ATOM   153  N NZ  . LYS A 1 20 ? 12.92298 -10.92548 87.42350  1.000 46.84630  ?  18  LYS A NZ  1 
ATOM   154  N N   . ASN A 1 21 ? 4.99193  -9.63842  88.72972  1.000 46.39967  ?  19  ASN A N   1 
ATOM   155  C CA  . ASN A 1 21 ? 3.99445  -8.88813  89.48473  1.000 35.11573  ?  19  ASN A CA  1 
ATOM   156  C C   . ASN A 1 21 ? 2.85845  -9.79244  89.94475  1.000 44.35871  ?  19  ASN A C   1 
ATOM   157  O O   . ASN A 1 21 ? 2.37438  -9.66615  91.07596  1.000 52.61613  ?  19  ASN A O   1 
ATOM   158  C CB  . ASN A 1 21 ? 3.44676  -7.73969  88.63915  1.000 41.81843  ?  19  ASN A CB  1 
ATOM   159  C CG  . ASN A 1 21 ? 4.47997  -6.66557  88.37077  1.000 42.39334  ?  19  ASN A CG  1 
ATOM   160  O OD1 . ASN A 1 21 ? 5.67044  -6.84800  88.62930  1.000 42.08156  ?  19  ASN A OD1 1 
ATOM   161  N ND2 . ASN A 1 21 ? 4.02752  -5.53563  87.84379  1.000 49.91628  ?  19  ASN A ND2 1 
ATOM   162  N N   . GLU A 1 22 ? 2.41878  -10.70906 89.07891  1.000 58.72757  ?  20  GLU A N   1 
ATOM   163  C CA  . GLU A 1 22 ? 1.31475  -11.59504 89.43401  1.000 49.80490  ?  20  GLU A CA  1 
ATOM   164  C C   . GLU A 1 22 ? 1.70874  -12.55673 90.54777  1.000 50.46799  ?  20  GLU A C   1 
ATOM   165  O O   . GLU A 1 22 ? 0.88470  -12.88856 91.40823  1.000 55.11122  ?  20  GLU A O   1 
ATOM   166  C CB  . GLU A 1 22 ? 0.84118  -12.36546 88.20183  1.000 40.05073  ?  20  GLU A CB  1 
ATOM   167  C CG  . GLU A 1 22 ? 0.09010  -11.51704 87.19117  1.000 47.85309  ?  20  GLU A CG  1 
ATOM   168  C CD  . GLU A 1 22 ? -0.41376 -12.32663 86.01235  1.000 60.56459  ?  20  GLU A CD  1 
ATOM   169  O OE1 . GLU A 1 22 ? 0.16472  -13.39857 85.73538  1.000 68.73262  ?  20  GLU A OE1 1 
ATOM   170  O OE2 . GLU A 1 22 ? -1.39173 -11.89447 85.36594  1.000 59.30437  -1 20  GLU A OE2 1 
ATOM   171  N N   . GLN A 1 23 ? 2.96014  -13.02021 90.54814  1.000 51.94785  ?  21  GLN A N   1 
ATOM   172  C CA  . GLN A 1 23 ? 3.40666  -13.90601 91.61738  1.000 42.98598  ?  21  GLN A CA  1 
ATOM   173  C C   . GLN A 1 23 ? 3.62035  -13.13424 92.91285  1.000 56.30992  ?  21  GLN A C   1 
ATOM   174  O O   . GLN A 1 23 ? 3.30950  -13.63575 93.99962  1.000 57.93417  ?  21  GLN A O   1 
ATOM   175  C CB  . GLN A 1 23 ? 4.68439  -14.63530 91.20239  1.000 61.38085  ?  21  GLN A CB  1 
ATOM   176  C CG  . GLN A 1 23 ? 5.13342  -15.70054 92.19216  1.000 71.52024  ?  21  GLN A CG  1 
ATOM   177  C CD  . GLN A 1 23 ? 4.06886  -16.75313 92.44219  1.000 72.49851  ?  21  GLN A CD  1 
ATOM   178  O OE1 . GLN A 1 23 ? 3.36120  -17.16829 91.52449  1.000 63.68704  ?  21  GLN A OE1 1 
ATOM   179  N NE2 . GLN A 1 23 ? 3.94720  -17.18615 93.69215  1.000 48.02352  ?  21  GLN A NE2 1 
ATOM   180  N N   . ALA A 1 24 ? 4.14205  -11.90891 92.81816  1.000 52.45473  ?  22  ALA A N   1 
ATOM   181  C CA  . ALA A 1 24 ? 4.29786  -11.07494 94.00294  1.000 34.00974  ?  22  ALA A CA  1 
ATOM   182  C C   . ALA A 1 24 ? 2.95803  -10.64301 94.58186  1.000 47.09768  ?  22  ALA A C   1 
ATOM   183  O O   . ALA A 1 24 ? 2.89944  -10.25142 95.75213  1.000 46.62875  ?  22  ALA A O   1 
ATOM   184  C CB  . ALA A 1 24 ? 5.14633  -9.84557  93.67599  1.000 52.27139  ?  22  ALA A CB  1 
ATOM   185  N N   . LEU A 1 25 ? 1.88859  -10.70700 93.79579  1.000 42.97750  ?  23  LEU A N   1 
ATOM   186  C CA  . LEU A 1 25 ? 0.55930  -10.35047 94.27326  1.000 35.66062  ?  23  LEU A CA  1 
ATOM   187  C C   . LEU A 1 25 ? -0.16568 -11.57365 94.82631  1.000 43.55172  ?  23  LEU A C   1 
ATOM   188  O O   . LEU A 1 25 ? 0.23976  -12.14239 95.83931  1.000 58.01606  ?  23  LEU A O   1 
ATOM   189  C CB  . LEU A 1 25 ? -0.26236 -9.71643  93.14935  1.000 44.31506  ?  23  LEU A CB  1 
ATOM   190  C CG  . LEU A 1 25 ? -1.69041 -9.29414  93.50206  1.000 57.41033  ?  23  LEU A CG  1 
ATOM   191  C CD1 . LEU A 1 25 ? -1.70004 -7.98885  94.28901  1.000 53.78929  ?  23  LEU A CD1 1 
ATOM   192  C CD2 . LEU A 1 25 ? -2.54247 -9.18419  92.24689  1.000 49.90803  ?  23  LEU A CD2 1 
ATOM   193  N N   . GLN A 1 35 ? 7.46055  -3.84940  97.19793  1.000 47.76301  ?  33  GLN A N   1 
ATOM   194  C CA  . GLN A 1 35 ? 8.23020  -4.24259  96.02340  1.000 43.06313  ?  33  GLN A CA  1 
ATOM   195  C C   . GLN A 1 35 ? 7.31234  -4.48099  94.82733  1.000 49.78247  ?  33  GLN A C   1 
ATOM   196  O O   . GLN A 1 35 ? 7.74187  -4.39572  93.67718  1.000 49.01931  ?  33  GLN A O   1 
ATOM   197  C CB  . GLN A 1 35 ? 9.05847  -5.49626  96.32015  1.000 55.63374  ?  33  GLN A CB  1 
ATOM   198  C CG  . GLN A 1 35 ? 10.06501 -5.86846  95.23721  1.000 50.39839  ?  33  GLN A CG  1 
ATOM   199  C CD  . GLN A 1 35 ? 11.33135 -5.02807  95.28498  1.000 77.27899  ?  33  GLN A CD  1 
ATOM   200  O OE1 . GLN A 1 35 ? 12.24866 -5.22668  94.48827  1.000 65.70938  ?  33  GLN A OE1 1 
ATOM   201  N NE2 . GLN A 1 35 ? 11.39067 -4.09039  96.22487  1.000 62.59450  ?  33  GLN A NE2 1 
ATOM   202  N N   . LEU A 1 36 ? 6.04251  -4.78537  95.10536  1.000 41.76264  ?  34  LEU A N   1 
ATOM   203  C CA  . LEU A 1 36 ? 5.06714  -4.91428  94.02782  1.000 45.70162  ?  34  LEU A CA  1 
ATOM   204  C C   . LEU A 1 36 ? 4.86239  -3.58366  93.31661  1.000 52.76469  ?  34  LEU A C   1 
ATOM   205  O O   . LEU A 1 36 ? 4.68960  -3.54362  92.09270  1.000 33.06617  ?  34  LEU A O   1 
ATOM   206  C CB  . LEU A 1 36 ? 3.74209  -5.44161  94.57923  1.000 37.41305  ?  34  LEU A CB  1 
ATOM   207  C CG  . LEU A 1 36 ? 2.51711  -5.36876  93.66250  1.000 32.77323  ?  34  LEU A CG  1 
ATOM   208  C CD1 . LEU A 1 36 ? 2.68721  -6.25183  92.43515  1.000 55.75022  ?  34  LEU A CD1 1 
ATOM   209  C CD2 . LEU A 1 36 ? 1.25738  -5.74308  94.42603  1.000 42.48344  ?  34  LEU A CD2 1 
ATOM   210  N N   . LEU A 1 37 ? 4.88699  -2.48108  94.06963  1.000 54.31890  ?  35  LEU A N   1 
ATOM   211  C CA  . LEU A 1 37 ? 4.72770  -1.16376  93.46345  1.000 49.23529  ?  35  LEU A CA  1 
ATOM   212  C C   . LEU A 1 37 ? 5.85913  -0.86386  92.48788  1.000 51.09874  ?  35  LEU A C   1 
ATOM   213  O O   . LEU A 1 37 ? 5.63781  -0.24354  91.44157  1.000 32.63557  ?  35  LEU A O   1 
ATOM   214  C CB  . LEU A 1 37 ? 4.65582  -0.09350  94.55275  1.000 43.21239  ?  35  LEU A CB  1 
ATOM   215  C CG  . LEU A 1 37 ? 3.45960  -0.19203  95.50257  1.000 40.68764  ?  35  LEU A CG  1 
ATOM   216  C CD1 . LEU A 1 37 ? 3.58168  0.81308   96.63723  1.000 60.92039  ?  35  LEU A CD1 1 
ATOM   217  C CD2 . LEU A 1 37 ? 2.15747  0.01069   94.74237  1.000 44.96222  ?  35  LEU A CD2 1 
ATOM   218  N N   . SER A 1 38 ? 7.07933  -1.29965  92.81066  1.000 48.39732  ?  36  SER A N   1 
ATOM   219  C CA  . SER A 1 38 ? 8.19825  -1.08806  91.89806  1.000 45.40706  ?  36  SER A CA  1 
ATOM   220  C C   . SER A 1 38 ? 8.03672  -1.91483  90.62955  1.000 49.42854  ?  36  SER A C   1 
ATOM   221  O O   . SER A 1 38 ? 8.33448  -1.43624  89.52894  1.000 42.97786  ?  36  SER A O   1 
ATOM   222  C CB  . SER A 1 38 ? 9.51776  -1.42138  92.59346  1.000 48.62878  ?  36  SER A CB  1 
ATOM   223  O OG  . SER A 1 38 ? 9.57806  -2.79196  92.94666  1.000 60.01330  ?  36  SER A OG  1 
ATOM   224  N N   . GLY A 1 39 ? 7.56604  -3.15675  90.76309  1.000 52.05358  ?  37  GLY A N   1 
ATOM   225  C CA  . GLY A 1 39 ? 7.31951  -3.97590  89.59014  1.000 57.44759  ?  37  GLY A CA  1 
ATOM   226  C C   . GLY A 1 39 ? 6.18057  -3.46083  88.73558  1.000 46.57775  ?  37  GLY A C   1 
ATOM   227  O O   . GLY A 1 39 ? 6.17030  -3.67037  87.51906  1.000 33.88812  ?  37  GLY A O   1 
ATOM   228  N N   . ILE A 1 40 ? 5.20769  -2.78751  89.35121  1.000 32.00786  ?  38  ILE A N   1 
ATOM   229  C CA  . ILE A 1 40 ? 4.11208  -2.19831  88.58908  1.000 45.37931  ?  38  ILE A CA  1 
ATOM   230  C C   . ILE A 1 40 ? 4.58122  -0.95247  87.84670  1.000 51.39532  ?  38  ILE A C   1 
ATOM   231  O O   . ILE A 1 40 ? 4.21238  -0.73152  86.68729  1.000 48.02821  ?  38  ILE A O   1 
ATOM   232  C CB  . ILE A 1 40 ? 2.92156  -1.90112  89.51978  1.000 42.84193  ?  38  ILE A CB  1 
ATOM   233  C CG1 . ILE A 1 40 ? 2.24679  -3.20529  89.94990  1.000 30.18424  ?  38  ILE A CG1 1 
ATOM   234  C CG2 . ILE A 1 40 ? 1.91985  -0.97823  88.84626  1.000 33.70226  ?  38  ILE A CG2 1 
ATOM   235  C CD1 . ILE A 1 40 ? 1.04847  -3.00421  90.85013  1.000 39.17797  ?  38  ILE A CD1 1 
ATOM   236  N N   . VAL A 1 41 ? 5.40435  -0.12394  88.49320  1.000 36.13097  ?  39  VAL A N   1 
ATOM   237  C CA  . VAL A 1 41 ? 5.97524  1.03093   87.80705  1.000 33.09606  ?  39  VAL A CA  1 
ATOM   238  C C   . VAL A 1 41 ? 6.93439  0.57842   86.71193  1.000 49.94632  ?  39  VAL A C   1 
ATOM   239  O O   . VAL A 1 41 ? 6.94534  1.13664   85.60752  1.000 32.04161  ?  39  VAL A O   1 
ATOM   240  C CB  . VAL A 1 41 ? 6.66114  1.96836   88.81803  1.000 34.82615  ?  39  VAL A CB  1 
ATOM   241  C CG1 . VAL A 1 41 ? 7.50562  3.00867   88.09737  1.000 36.86626  ?  39  VAL A CG1 1 
ATOM   242  C CG2 . VAL A 1 41 ? 5.62153  2.64783   89.69693  1.000 41.00986  ?  39  VAL A CG2 1 
ATOM   243  N N   . GLN A 1 42 ? 7.74524  -0.44568  86.99349  1.000 32.88598  ?  40  GLN A N   1 
ATOM   244  C CA  . GLN A 1 42 ? 8.64397  -0.98102  85.97499  1.000 32.83175  ?  40  GLN A CA  1 
ATOM   245  C C   . GLN A 1 42 ? 7.86220  -1.57855  84.81140  1.000 54.64331  ?  40  GLN A C   1 
ATOM   246  O O   . GLN A 1 42 ? 8.28387  -1.48051  83.65286  1.000 43.57965  ?  40  GLN A O   1 
ATOM   247  C CB  . GLN A 1 42 ? 9.57204  -2.02775  86.59248  1.000 43.67318  ?  40  GLN A CB  1 
ATOM   248  C CG  . GLN A 1 42 ? 10.52195 -2.68032  85.60288  1.000 60.62008  ?  40  GLN A CG  1 
ATOM   249  C CD  . GLN A 1 42 ? 11.50346 -1.69417  85.00257  1.000 60.99147  ?  40  GLN A CD  1 
ATOM   250  O OE1 . GLN A 1 42 ? 11.76754 -1.71708  83.80065  1.000 69.34817  ?  40  GLN A OE1 1 
ATOM   251  N NE2 . GLN A 1 42 ? 12.05493 -0.82379  85.84047  1.000 79.02995  ?  40  GLN A NE2 1 
ATOM   252  N N   . GLN A 1 43 ? 6.71734  -2.20091  85.10137  1.000 51.63325  ?  41  GLN A N   1 
ATOM   253  C CA  . GLN A 1 43 ? 5.87981  -2.74815  84.03897  1.000 33.79528  ?  41  GLN A CA  1 
ATOM   254  C C   . GLN A 1 43 ? 5.27339  -1.64131  83.18580  1.000 46.59716  ?  41  GLN A C   1 
ATOM   255  O O   . GLN A 1 43 ? 5.15604  -1.78624  81.96312  1.000 38.06693  ?  41  GLN A O   1 
ATOM   256  C CB  . GLN A 1 43 ? 4.78214  -3.62723  84.63974  1.000 31.82416  ?  41  GLN A CB  1 
ATOM   257  C CG  . GLN A 1 43 ? 3.69388  -4.05860  83.66206  1.000 34.40687  ?  41  GLN A CG  1 
ATOM   258  C CD  . GLN A 1 43 ? 4.13650  -5.16817  82.72577  1.000 40.61015  ?  41  GLN A CD  1 
ATOM   259  O OE1 . GLN A 1 43 ? 5.18017  -5.07751  82.08027  1.000 29.28264  ?  41  GLN A OE1 1 
ATOM   260  N NE2 . GLN A 1 43 ? 3.33855  -6.22639  82.64930  1.000 41.10282  ?  41  GLN A NE2 1 
ATOM   261  N N   . GLN A 1 44 ? 4.88629  -0.52635  83.80992  1.000 37.81882  ?  42  GLN A N   1 
ATOM   262  C CA  . GLN A 1 44 ? 4.30148  0.57327   83.05111  1.000 25.76012  ?  42  GLN A CA  1 
ATOM   263  C C   . GLN A 1 44 ? 5.32070  1.23321   82.13369  1.000 40.26812  ?  42  GLN A C   1 
ATOM   264  O O   . GLN A 1 44 ? 4.95479  1.72839   81.06182  1.000 33.73723  ?  42  GLN A O   1 
ATOM   265  C CB  . GLN A 1 44 ? 3.68919  1.60037   83.99957  1.000 26.63228  ?  42  GLN A CB  1 
ATOM   266  C CG  . GLN A 1 44 ? 2.19241  1.44165   84.15606  1.000 24.69665  ?  42  GLN A CG  1 
ATOM   267  C CD  . GLN A 1 44 ? 1.64707  2.17917   85.35586  1.000 30.87646  ?  42  GLN A CD  1 
ATOM   268  O OE1 . GLN A 1 44 ? 2.35410  2.95141   86.00317  1.000 55.54569  ?  42  GLN A OE1 1 
ATOM   269  N NE2 . GLN A 1 44 ? 0.38027  1.94190   85.66323  1.000 52.05318  ?  42  GLN A NE2 1 
ATOM   270  N N   . ASN A 1 45 ? 6.59554  1.25297   82.52728  1.000 29.39769  ?  43  ASN A N   1 
ATOM   271  C CA  . ASN A 1 45 ? 7.62027  1.75677   81.62119  1.000 39.00495  ?  43  ASN A CA  1 
ATOM   272  C C   . ASN A 1 45 ? 7.83429  0.81157   80.44794  1.000 43.42823  ?  43  ASN A C   1 
ATOM   273  O O   . ASN A 1 45 ? 8.13780  1.26279   79.33852  1.000 44.78246  ?  43  ASN A O   1 
ATOM   274  C CB  . ASN A 1 45 ? 8.93451  1.98128   82.36887  1.000 47.45846  ?  43  ASN A CB  1 
ATOM   275  C CG  . ASN A 1 45 ? 10.02013 2.55344   81.47459  1.000 49.36330  ?  43  ASN A CG  1 
ATOM   276  O OD1 . ASN A 1 45 ? 11.06938 1.93943   81.27830  1.000 66.49101  ?  43  ASN A OD1 1 
ATOM   277  N ND2 . ASN A 1 45 ? 9.76210  3.72906   80.91098  1.000 53.82014  ?  43  ASN A ND2 1 
ATOM   278  N N   . ASN A 1 46 ? 7.67518  -0.49464  80.66843  1.000 45.64126  ?  44  ASN A N   1 
ATOM   279  C CA  . ASN A 1 46 ? 7.82980  -1.45292  79.57928  1.000 44.01061  ?  44  ASN A CA  1 
ATOM   280  C C   . ASN A 1 46 ? 6.73977  -1.26931  78.52972  1.000 37.19307  ?  44  ASN A C   1 
ATOM   281  O O   . ASN A 1 46 ? 7.02051  -1.25229  77.32513  1.000 37.30174  ?  44  ASN A O   1 
ATOM   282  C CB  . ASN A 1 46 ? 7.81915  -2.87935  80.13142  1.000 32.56790  ?  44  ASN A CB  1 
ATOM   283  C CG  . ASN A 1 46 ? 9.01447  -3.17017  81.02312  1.000 47.55531  ?  44  ASN A CG  1 
ATOM   284  O OD1 . ASN A 1 46 ? 10.09985 -2.62403  80.82407  1.000 65.54405  ?  44  ASN A OD1 1 
ATOM   285  N ND2 . ASN A 1 46 ? 8.81869  -4.03356  82.01395  1.000 64.03870  ?  44  ASN A ND2 1 
ATOM   286  N N   . LEU A 1 47 ? 5.48712  -1.12139  78.97121  1.000 29.97892  ?  45  LEU A N   1 
ATOM   287  C CA  . LEU A 1 47 ? 4.38727  -0.91908  78.03249  1.000 36.16438  ?  45  LEU A CA  1 
ATOM   288  C C   . LEU A 1 47 ? 4.54663  0.38863   77.26721  1.000 47.67318  ?  45  LEU A C   1 
ATOM   289  O O   . LEU A 1 47 ? 4.21508  0.46525   76.07834  1.000 36.25481  ?  45  LEU A O   1 
ATOM   290  C CB  . LEU A 1 47 ? 3.05205  -0.94248  78.77568  1.000 30.42424  ?  45  LEU A CB  1 
ATOM   291  C CG  . LEU A 1 47 ? 2.72349  -2.20894  79.56674  1.000 41.13410  ?  45  LEU A CG  1 
ATOM   292  C CD1 . LEU A 1 47 ? 1.42659  -2.02131  80.33426  1.000 22.74437  ?  45  LEU A CD1 1 
ATOM   293  C CD2 . LEU A 1 47 ? 2.63320  -3.40923  78.63894  1.000 45.89024  ?  45  LEU A CD2 1 
ATOM   294  N N   . LEU A 1 48 ? 5.05325  1.42835   77.93475  1.000 31.38268  ?  46  LEU A N   1 
ATOM   295  C CA  . LEU A 1 48 ? 5.26467  2.70975   77.27058  1.000 31.72706  ?  46  LEU A CA  1 
ATOM   296  C C   . LEU A 1 48 ? 6.32008  2.59797   76.17842  1.000 39.50998  ?  46  LEU A C   1 
ATOM   297  O O   . LEU A 1 48 ? 6.14636  3.14268   75.08206  1.000 34.04262  ?  46  LEU A O   1 
ATOM   298  C CB  . LEU A 1 48 ? 5.66362  3.76720   78.29828  1.000 35.92393  ?  46  LEU A CB  1 
ATOM   299  C CG  . LEU A 1 48 ? 5.90866  5.18121   77.77685  1.000 37.92220  ?  46  LEU A CG  1 
ATOM   300  C CD1 . LEU A 1 48 ? 4.69957  5.67881   77.00126  1.000 44.49965  ?  46  LEU A CD1 1 
ATOM   301  C CD2 . LEU A 1 48 ? 6.22911  6.11432   78.93136  1.000 39.20084  ?  46  LEU A CD2 1 
ATOM   302  N N   . ARG A 1 49 ? 7.42254  1.89598   76.45980  1.000 41.16867  ?  47  ARG A N   1 
ATOM   303  C CA  . ARG A 1 49 ? 8.45170  1.70474   75.44307  1.000 28.47969  ?  47  ARG A CA  1 
ATOM   304  C C   . ARG A 1 49 ? 7.89552  0.95304   74.23777  1.000 31.61198  ?  47  ARG A C   1 
ATOM   305  O O   . ARG A 1 49 ? 8.22884  1.27316   73.09082  1.000 48.22548  ?  47  ARG A O   1 
ATOM   306  C CB  . ARG A 1 49 ? 9.65147  0.96448   76.04105  1.000 30.16152  ?  47  ARG A CB  1 
ATOM   307  C CG  . ARG A 1 49 ? 10.38121 1.71738   77.15997  1.000 64.87640  ?  47  ARG A CG  1 
ATOM   308  C CD  . ARG A 1 49 ? 11.26457 2.84765   76.62441  1.000 69.59943  ?  47  ARG A CD  1 
ATOM   309  N NE  . ARG A 1 49 ? 10.58755 4.14047   76.61919  1.000 84.76825  ?  47  ARG A NE  1 
ATOM   310  C CZ  . ARG A 1 49 ? 10.72149 5.06429   77.56242  1.000 65.76674  ?  47  ARG A CZ  1 
ATOM   311  N NH1 . ARG A 1 49 ? 11.50936 4.87639   78.60893  1.000 46.51480  ?  47  ARG A NH1 1 
ATOM   312  N NH2 . ARG A 1 49 ? 10.05672 6.21103   77.44607  1.000 53.11638  ?  47  ARG A NH2 1 
ATOM   313  N N   . ALA A 1 50 ? 7.03830  -0.04443  74.47596  1.000 37.13961  ?  48  ALA A N   1 
ATOM   314  C CA  . ALA A 1 50 ? 6.45422  -0.80115  73.37110  1.000 43.99757  ?  48  ALA A CA  1 
ATOM   315  C C   . ALA A 1 50 ? 5.47005  0.04593   72.57228  1.000 34.98236  ?  48  ALA A C   1 
ATOM   316  O O   . ALA A 1 50 ? 5.39560  -0.07236  71.34339  1.000 48.82497  ?  48  ALA A O   1 
ATOM   317  C CB  . ALA A 1 50 ? 5.76974  -2.06136  73.89970  1.000 28.18869  ?  48  ALA A CB  1 
ATOM   318  N N   . ILE A 1 51 ? 4.69570  0.89346   73.25307  1.000 23.11572  ?  49  ILE A N   1 
ATOM   319  C CA  . ILE A 1 51 ? 3.78277  1.79413   72.55418  1.000 33.68504  ?  49  ILE A CA  1 
ATOM   320  C C   . ILE A 1 51 ? 4.56647  2.77169   71.68800  1.000 38.29223  ?  49  ILE A C   1 
ATOM   321  O O   . ILE A 1 51 ? 4.17667  3.07421   70.55320  1.000 34.52145  ?  49  ILE A O   1 
ATOM   322  C CB  . ILE A 1 51 ? 2.87811  2.52367   73.56638  1.000 25.92875  ?  49  ILE A CB  1 
ATOM   323  C CG1 . ILE A 1 51 ? 1.88483  1.54672   74.20070  1.000 27.20824  ?  49  ILE A CG1 1 
ATOM   324  C CG2 . ILE A 1 51 ? 2.13832  3.67574   72.90495  1.000 27.75154  ?  49  ILE A CG2 1 
ATOM   325  C CD1 . ILE A 1 51 ? 1.01352  2.16742   75.27439  1.000 33.17512  ?  49  ILE A CD1 1 
ATOM   326  N N   . GLU A 1 52 ? 5.69005  3.27185   72.20529  1.000 40.73188  ?  50  GLU A N   1 
ATOM   327  C CA  . GLU A 1 52 ? 6.53944  4.15928   71.41907  1.000 31.73135  ?  50  GLU A CA  1 
ATOM   328  C C   . GLU A 1 52 ? 7.16575  3.42303   70.24105  1.000 46.66481  ?  50  GLU A C   1 
ATOM   329  O O   . GLU A 1 52 ? 7.25061  3.96750   69.13406  1.000 33.43572  ?  50  GLU A O   1 
ATOM   330  C CB  . GLU A 1 52 ? 7.62261  4.76353   72.30949  1.000 28.36677  ?  50  GLU A CB  1 
ATOM   331  C CG  . GLU A 1 52 ? 7.10767  5.75981   73.32593  1.000 54.15719  ?  50  GLU A CG  1 
ATOM   332  C CD  . GLU A 1 52 ? 8.16270  6.14191   74.34164  1.000 54.51419  ?  50  GLU A CD  1 
ATOM   333  O OE1 . GLU A 1 52 ? 9.14434  5.38382   74.48162  1.000 46.39067  ?  50  GLU A OE1 1 
ATOM   334  O OE2 . GLU A 1 52 ? 8.00891  7.18981   75.00582  1.000 65.16741  -1 50  GLU A OE2 1 
ATOM   335  N N   . ALA A 1 53 ? 7.60397  2.18099   70.45781  1.000 44.70728  ?  51  ALA A N   1 
ATOM   336  C CA  . ALA A 1 53 ? 8.20422  1.41123   69.37402  1.000 34.98975  ?  51  ALA A CA  1 
ATOM   337  C C   . ALA A 1 53 ? 7.18364  1.04804   68.30464  1.000 41.37304  ?  51  ALA A C   1 
ATOM   338  O O   . ALA A 1 53 ? 7.52987  0.97389   67.12027  1.000 38.29222  ?  51  ALA A O   1 
ATOM   339  C CB  . ALA A 1 53 ? 8.86734  0.15308   69.93010  1.000 38.46134  ?  51  ALA A CB  1 
ATOM   340  N N   . GLN A 1 54 ? 5.92764  0.82390   68.69656  1.000 32.80683  ?  52  GLN A N   1 
ATOM   341  C CA  . GLN A 1 54 ? 4.88945  0.55223   67.71010  1.000 38.75029  ?  52  GLN A CA  1 
ATOM   342  C C   . GLN A 1 54 ? 4.53088  1.81071   66.93352  1.000 42.94816  ?  52  GLN A C   1 
ATOM   343  O O   . GLN A 1 54 ? 4.28684  1.75026   65.72359  1.000 47.03664  ?  52  GLN A O   1 
ATOM   344  C CB  . GLN A 1 54 ? 3.65249  -0.03042  68.39201  1.000 34.36524  ?  52  GLN A CB  1 
ATOM   345  C CG  . GLN A 1 54 ? 3.83957  -1.45442  68.88829  1.000 40.22016  ?  52  GLN A CG  1 
ATOM   346  C CD  . GLN A 1 54 ? 2.59323  -2.01122  69.54009  1.000 48.69348  ?  52  GLN A CD  1 
ATOM   347  O OE1 . GLN A 1 54 ? 1.68806  -1.26470  69.91161  1.000 49.96790  ?  52  GLN A OE1 1 
ATOM   348  N NE2 . GLN A 1 54 ? 2.53658  -3.33034  69.67873  1.000 64.67780  ?  52  GLN A NE2 1 
ATOM   349  N N   . GLN A 1 55 ? 4.50325  2.96132   67.60997  1.000 32.62257  ?  53  GLN A N   1 
ATOM   350  C CA  . GLN A 1 55 ? 4.18634  4.21244   66.92955  1.000 43.84976  ?  53  GLN A CA  1 
ATOM   351  C C   . GLN A 1 55 ? 5.23733  4.56866   65.88500  1.000 45.16411  ?  53  GLN A C   1 
ATOM   352  O O   . GLN A 1 55 ? 4.90031  5.14049   64.84220  1.000 43.87123  ?  53  GLN A O   1 
ATOM   353  C CB  . GLN A 1 55 ? 4.03609  5.33990   67.95249  1.000 25.30072  ?  53  GLN A CB  1 
ATOM   354  C CG  . GLN A 1 55 ? 3.57135  6.66794   67.37376  1.000 22.56064  ?  53  GLN A CG  1 
ATOM   355  C CD  . GLN A 1 55 ? 2.21143  6.57856   66.70023  1.000 57.52453  ?  53  GLN A CD  1 
ATOM   356  O OE1 . GLN A 1 55 ? 1.41147  5.69330   67.00018  1.000 57.80379  ?  53  GLN A OE1 1 
ATOM   357  N NE2 . GLN A 1 55 ? 1.94534  7.50049   65.78271  1.000 52.44162  ?  53  GLN A NE2 1 
ATOM   358  N N   . HIS A 1 56 ? 6.50520  4.23556   66.13719  1.000 38.96714  ?  54  HIS A N   1 
ATOM   359  C CA  . HIS A 1 56 ? 7.53371  4.43111   65.12006  1.000 42.42171  ?  54  HIS A CA  1 
ATOM   360  C C   . HIS A 1 56 ? 7.27044  3.54616   63.90790  1.000 48.70649  ?  54  HIS A C   1 
ATOM   361  O O   . HIS A 1 56 ? 7.35516  4.00148   62.76134  1.000 26.92022  ?  54  HIS A O   1 
ATOM   362  C CB  . HIS A 1 56 ? 8.91843  4.15085   65.70803  1.000 45.95773  ?  54  HIS A CB  1 
ATOM   363  C CG  . HIS A 1 56 ? 10.01532 4.12828   64.68815  1.000 49.39575  ?  54  HIS A CG  1 
ATOM   364  N ND1 . HIS A 1 56 ? 10.64247 2.96485   64.29593  1.000 42.88554  ?  54  HIS A ND1 1 
ATOM   365  C CD2 . HIS A 1 56 ? 10.59356 5.12470   63.97605  1.000 49.18169  ?  54  HIS A CD2 1 
ATOM   366  C CE1 . HIS A 1 56 ? 11.56001 3.24568   63.38827  1.000 44.10694  ?  54  HIS A CE1 1 
ATOM   367  N NE2 . HIS A 1 56 ? 11.55090 4.54958   63.17588  1.000 41.29720  ?  54  HIS A NE2 1 
ATOM   368  N N   . LEU A 1 57 ? 6.94123  2.27345   64.14360  1.000 41.19774  ?  55  LEU A N   1 
ATOM   369  C CA  . LEU A 1 57 ? 6.61097  1.38254   63.03596  1.000 46.57088  ?  55  LEU A CA  1 
ATOM   370  C C   . LEU A 1 57 ? 5.28601  1.77295   62.39227  1.000 39.23537  ?  55  LEU A C   1 
ATOM   371  O O   . LEU A 1 57 ? 5.13995  1.69857   61.16645  1.000 39.23596  ?  55  LEU A O   1 
ATOM   372  C CB  . LEU A 1 57 ? 6.57177  -0.06791  63.51891  1.000 33.83474  ?  55  LEU A CB  1 
ATOM   373  C CG  . LEU A 1 57 ? 6.26348  -1.12865  62.45885  1.000 37.85250  ?  55  LEU A CG  1 
ATOM   374  C CD1 . LEU A 1 57 ? 7.19435  -0.98347  61.26440  1.000 47.88324  ?  55  LEU A CD1 1 
ATOM   375  C CD2 . LEU A 1 57 ? 6.36557  -2.52759  63.04847  1.000 46.09528  ?  55  LEU A CD2 1 
ATOM   376  N N   . LEU A 1 58 ? 4.30868  2.19127   63.20210  1.000 25.57192  ?  56  LEU A N   1 
ATOM   377  C CA  . LEU A 1 58 ? 3.03820  2.65206   62.65093  1.000 30.21482  ?  56  LEU A CA  1 
ATOM   378  C C   . LEU A 1 58 ? 3.21618  3.92751   61.83831  1.000 40.26025  ?  56  LEU A C   1 
ATOM   379  O O   . LEU A 1 58 ? 2.46395  4.17070   60.88751  1.000 30.36291  ?  56  LEU A O   1 
ATOM   380  C CB  . LEU A 1 58 ? 2.02718  2.87311   63.77741  1.000 40.40356  ?  56  LEU A CB  1 
ATOM   381  C CG  . LEU A 1 58 ? 0.60069  3.25643   63.38078  1.000 30.53653  ?  56  LEU A CG  1 
ATOM   382  C CD1 . LEU A 1 58 ? -0.00926 2.18424   62.49389  1.000 36.47475  ?  56  LEU A CD1 1 
ATOM   383  C CD2 . LEU A 1 58 ? -0.25551 3.48436   64.61787  1.000 32.42926  ?  56  LEU A CD2 1 
ATOM   384  N N   . GLN A 1 59 ? 4.20134  4.75249   62.19897  1.000 29.56669  ?  57  GLN A N   1 
ATOM   385  C CA  . GLN A 1 59 ? 4.49566  5.94968   61.41933  1.000 31.70919  ?  57  GLN A CA  1 
ATOM   386  C C   . GLN A 1 59 ? 5.11128  5.59287   60.07277  1.000 32.18481  ?  57  GLN A C   1 
ATOM   387  O O   . GLN A 1 59 ? 4.77755  6.20118   59.04847  1.000 29.92670  ?  57  GLN A O   1 
ATOM   388  C CB  . GLN A 1 59 ? 5.42852  6.86688   62.20939  1.000 35.08080  ?  57  GLN A CB  1 
ATOM   389  C CG  . GLN A 1 59 ? 6.01037  8.01630   61.40509  1.000 51.23232  ?  57  GLN A CG  1 
ATOM   390  C CD  . GLN A 1 59 ? 4.98116  9.08230   61.08569  1.000 57.92347  ?  57  GLN A CD  1 
ATOM   391  O OE1 . GLN A 1 59 ? 4.90239  10.10405  61.76554  1.000 68.80496  ?  57  GLN A OE1 1 
ATOM   392  N NE2 . GLN A 1 59 ? 4.18898  8.85249   60.04417  1.000 51.70936  ?  57  GLN A NE2 1 
ATOM   393  N N   . LEU A 1 60 ? 6.01314  4.60831   60.05677  1.000 28.40348  ?  58  LEU A N   1 
ATOM   394  C CA  . LEU A 1 60 ? 6.62110  4.17419   58.80485  1.000 22.66727  ?  58  LEU A CA  1 
ATOM   395  C C   . LEU A 1 60 ? 5.58126  3.58245   57.86149  1.000 27.54862  ?  58  LEU A C   1 
ATOM   396  O O   . LEU A 1 60 ? 5.66919  3.76111   56.64102  1.000 52.41212  ?  58  LEU A O   1 
ATOM   397  C CB  . LEU A 1 60 ? 7.72788  3.15848   59.08615  1.000 37.63519  ?  58  LEU A CB  1 
ATOM   398  C CG  . LEU A 1 60 ? 8.90049  3.62540   59.94841  1.000 44.22458  ?  58  LEU A CG  1 
ATOM   399  C CD1 . LEU A 1 60 ? 9.84729  2.46840   60.22285  1.000 42.75076  ?  58  LEU A CD1 1 
ATOM   400  C CD2 . LEU A 1 60 ? 9.63253  4.77524   59.27542  1.000 52.19287  ?  58  LEU A CD2 1 
ATOM   401  N N   . THR A 1 61 ? 4.58935  2.87090   58.40884  1.000 27.78283  ?  59  THR A N   1 
ATOM   402  C CA  . THR A 1 61 ? 3.55218  2.29599   57.55868  1.000 25.06264  ?  59  THR A CA  1 
ATOM   403  C C   . THR A 1 61 ? 2.65912  3.37809   56.96494  1.000 42.00947  ?  59  THR A C   1 
ATOM   404  O O   . THR A 1 61 ? 2.06933  3.17647   55.89816  1.000 32.56706  ?  59  THR A O   1 
ATOM   405  C CB  . THR A 1 61 ? 2.71888  1.27834   58.34201  1.000 34.38611  ?  59  THR A CB  1 
ATOM   406  O OG1 . THR A 1 61 ? 2.15602  1.90365   59.50118  1.000 37.32264  ?  59  THR A OG1 1 
ATOM   407  C CG2 . THR A 1 61 ? 3.58082  0.10520   58.76996  1.000 25.26462  ?  59  THR A CG2 1 
ATOM   408  N N   . VAL A 1 62 ? 2.55209  4.52923   57.63096  1.000 36.70888  ?  60  VAL A N   1 
ATOM   409  C CA  . VAL A 1 62 ? 1.78074  5.64006   57.08057  1.000 24.77215  ?  60  VAL A CA  1 
ATOM   410  C C   . VAL A 1 62 ? 2.52656  6.27668   55.91256  1.000 43.02170  ?  60  VAL A C   1 
ATOM   411  O O   . VAL A 1 62 ? 1.94473  6.54454   54.85455  1.000 39.31401  ?  60  VAL A O   1 
ATOM   412  C CB  . VAL A 1 62 ? 1.45842  6.66652   58.18271  1.000 24.49896  ?  60  VAL A CB  1 
ATOM   413  C CG1 . VAL A 1 62 ? 0.93353  7.96298   57.57752  1.000 43.41343  ?  60  VAL A CG1 1 
ATOM   414  C CG2 . VAL A 1 62 ? 0.44727  6.08522   59.16166  1.000 36.56944  ?  60  VAL A CG2 1 
ATOM   415  N N   . TRP A 1 63 ? 3.83012  6.51877   56.08317  1.000 41.69550  ?  61  TRP A N   1 
ATOM   416  C CA  . TRP A 1 63 ? 4.62843  7.06699   54.99124  1.000 39.29407  ?  61  TRP A CA  1 
ATOM   417  C C   . TRP A 1 63 ? 4.70031  6.09679   53.81824  1.000 40.40908  ?  61  TRP A C   1 
ATOM   418  O O   . TRP A 1 63 ? 4.71807  6.51847   52.65692  1.000 32.89399  ?  61  TRP A O   1 
ATOM   419  C CB  . TRP A 1 63 ? 6.03218  7.41439   55.48845  1.000 36.12892  ?  61  TRP A CB  1 
ATOM   420  C CG  . TRP A 1 63 ? 6.06804  8.61968   56.36790  1.000 44.43335  ?  61  TRP A CG  1 
ATOM   421  C CD1 . TRP A 1 63 ? 5.18036  9.65445   56.37252  1.000 46.86920  ?  61  TRP A CD1 1 
ATOM   422  C CD2 . TRP A 1 63 ? 7.03440  8.91489   57.38263  1.000 60.25121  ?  61  TRP A CD2 1 
ATOM   423  N NE1 . TRP A 1 63 ? 5.53663  10.58031  57.32245  1.000 65.42022  ?  61  TRP A NE1 1 
ATOM   424  C CE2 . TRP A 1 63 ? 6.67166  10.14939  57.95791  1.000 51.78419  ?  61  TRP A CE2 1 
ATOM   425  C CE3 . TRP A 1 63 ? 8.17207  8.25718   57.85944  1.000 43.51284  ?  61  TRP A CE3 1 
ATOM   426  C CZ2 . TRP A 1 63 ? 7.40482  10.73868  58.98640  1.000 37.74680  ?  61  TRP A CZ2 1 
ATOM   427  C CZ3 . TRP A 1 63 ? 8.89957  8.84494   58.87924  1.000 44.02421  ?  61  TRP A CZ3 1 
ATOM   428  C CH2 . TRP A 1 63 ? 8.51359  10.07276  59.43066  1.000 43.40506  ?  61  TRP A CH2 1 
ATOM   429  N N   . GLY A 1 64 ? 4.74243  4.79260   54.10001  1.000 46.05642  ?  62  GLY A N   1 
ATOM   430  C CA  . GLY A 1 64 ? 4.80377  3.81493   53.02733  1.000 20.81256  ?  62  GLY A CA  1 
ATOM   431  C C   . GLY A 1 64 ? 3.51528  3.70491   52.23839  1.000 41.50908  ?  62  GLY A C   1 
ATOM   432  O O   . GLY A 1 64 ? 3.54194  3.40735   51.04079  1.000 31.33661  ?  62  GLY A O   1 
ATOM   433  N N   . ILE A 1 65 ? 2.37457  3.93488   52.89151  1.000 27.25606  ?  63  ILE A N   1 
ATOM   434  C CA  . ILE A 1 65 ? 1.09655  3.91117   52.18803  1.000 35.94225  ?  63  ILE A CA  1 
ATOM   435  C C   . ILE A 1 65 ? 0.96192  5.13317   51.28534  1.000 33.64271  ?  63  ILE A C   1 
ATOM   436  O O   . ILE A 1 65 ? 0.44955  5.03798   50.16292  1.000 34.86160  ?  63  ILE A O   1 
ATOM   437  C CB  . ILE A 1 65 ? -0.06149 3.80575   53.19980  1.000 22.50623  ?  63  ILE A CB  1 
ATOM   438  C CG1 . ILE A 1 65 ? -0.15408 2.38406   53.76278  1.000 29.29024  ?  63  ILE A CG1 1 
ATOM   439  C CG2 . ILE A 1 65 ? -1.38345 4.21347   52.56620  1.000 22.39974  ?  63  ILE A CG2 1 
ATOM   440  C CD1 . ILE A 1 65 ? -1.24299 2.20836   54.80139  1.000 30.64501  ?  63  ILE A CD1 1 
ATOM   441  N N   . LYS A 1 66 ? 1.43295  6.29601   51.75151  1.000 30.10743  ?  64  LYS A N   1 
ATOM   442  C CA  . LYS A 1 66 ? 1.40344  7.50078   50.92450  1.000 27.54217  ?  64  LYS A CA  1 
ATOM   443  C C   . LYS A 1 66 ? 2.26455  7.33536   49.67935  1.000 36.59408  ?  64  LYS A C   1 
ATOM   444  O O   . LYS A 1 66 ? 1.88386  7.77530   48.58738  1.000 36.94597  ?  64  LYS A O   1 
ATOM   445  C CB  . LYS A 1 66 ? 1.86585  8.71152   51.74237  1.000 31.21633  ?  64  LYS A CB  1 
ATOM   446  C CG  . LYS A 1 66 ? 2.79558  9.68108   51.00492  1.000 53.58682  ?  64  LYS A CG  1 
ATOM   447  C CD  . LYS A 1 66 ? 2.04639  10.64473  50.09116  1.000 66.56878  ?  64  LYS A CD  1 
ATOM   448  C CE  . LYS A 1 66 ? 3.01781  11.48050  49.26401  1.000 66.10371  ?  64  LYS A CE  1 
ATOM   449  N NZ  . LYS A 1 66 ? 3.99893  10.62716  48.52777  1.000 44.24502  ?  64  LYS A NZ  1 
ATOM   450  N N   . GLN A 1 67 ? 3.43865  6.71956   49.82868  1.000 35.33984  ?  65  GLN A N   1 
ATOM   451  C CA  . GLN A 1 67 ? 4.30906  6.48869   48.68229  1.000 43.06122  ?  65  GLN A CA  1 
ATOM   452  C C   . GLN A 1 67 ? 3.62290  5.61125   47.64333  1.000 43.10854  ?  65  GLN A C   1 
ATOM   453  O O   . GLN A 1 67 ? 3.66681  5.89990   46.44232  1.000 29.69811  ?  65  GLN A O   1 
ATOM   454  C CB  . GLN A 1 67 ? 5.62232  5.85985   49.14824  1.000 46.41310  ?  65  GLN A CB  1 
ATOM   455  C CG  . GLN A 1 67 ? 6.77784  6.83534   49.23917  1.000 58.25315  ?  65  GLN A CG  1 
ATOM   456  C CD  . GLN A 1 67 ? 7.32868  7.20410   47.87701  1.000 81.40031  ?  65  GLN A CD  1 
ATOM   457  O OE1 . GLN A 1 67 ? 6.65744  7.85373   47.07531  1.000 72.09382  ?  65  GLN A OE1 1 
ATOM   458  N NE2 . GLN A 1 67 ? 8.55534  6.77763   47.60256  1.000 79.93654  ?  65  GLN A NE2 1 
ATOM   459  N N   . LEU A 1 68 ? 2.96895  4.53762   48.09387  1.000 31.08097  ?  66  LEU A N   1 
ATOM   460  C CA  . LEU A 1 68 ? 2.26643  3.65229   47.17130  1.000 33.78269  ?  66  LEU A CA  1 
ATOM   461  C C   . LEU A 1 68 ? 1.12318  4.37243   46.47050  1.000 34.83259  ?  66  LEU A C   1 
ATOM   462  O O   . LEU A 1 68 ? 0.89017  4.16223   45.27496  1.000 28.71224  ?  66  LEU A O   1 
ATOM   463  C CB  . LEU A 1 68 ? 1.74521  2.42848   47.91915  1.000 29.32894  ?  66  LEU A CB  1 
ATOM   464  C CG  . LEU A 1 68 ? 2.81061  1.43317   48.36576  1.000 35.76852  ?  66  LEU A CG  1 
ATOM   465  C CD1 . LEU A 1 68 ? 2.22286  0.44136   49.35053  1.000 32.16818  ?  66  LEU A CD1 1 
ATOM   466  C CD2 . LEU A 1 68 ? 3.37843  0.71922   47.15351  1.000 31.93231  ?  66  LEU A CD2 1 
ATOM   467  N N   . GLN A 1 69 ? 0.39237  5.21991   47.19969  1.000 24.69208  ?  67  GLN A N   1 
ATOM   468  C CA  . GLN A 1 69 ? -0.69510 5.97057   46.58094  1.000 23.80274  ?  67  GLN A CA  1 
ATOM   469  C C   . GLN A 1 69 ? -0.17956 6.92142   45.51096  1.000 26.19494  ?  67  GLN A C   1 
ATOM   470  O O   . GLN A 1 69 ? -0.87354 7.17481   44.51995  1.000 33.59228  ?  67  GLN A O   1 
ATOM   471  C CB  . GLN A 1 69 ? -1.47818 6.74045   47.64336  1.000 34.03906  ?  67  GLN A CB  1 
ATOM   472  C CG  . GLN A 1 69 ? -2.27910 5.85322   48.57740  1.000 46.35135  ?  67  GLN A CG  1 
ATOM   473  C CD  . GLN A 1 69 ? -3.07788 6.64538   49.58832  1.000 47.97853  ?  67  GLN A CD  1 
ATOM   474  O OE1 . GLN A 1 69 ? -2.83286 7.83356   49.79692  1.000 56.69138  ?  67  GLN A OE1 1 
ATOM   475  N NE2 . GLN A 1 69 ? -4.04418 5.99128   50.22133  1.000 40.46044  ?  67  GLN A NE2 1 
ATOM   476  N N   . ALA A 1 70 ? 1.02993  7.45558   45.68950  1.000 25.92364  ?  68  ALA A N   1 
ATOM   477  C CA  . ALA A 1 70 ? 1.61552  8.30530   44.65939  1.000 33.79748  ?  68  ALA A CA  1 
ATOM   478  C C   . ALA A 1 70 ? 2.12396  7.47594   43.48725  1.000 36.03452  ?  68  ALA A C   1 
ATOM   479  O O   . ALA A 1 70 ? 2.01803  7.89721   42.32981  1.000 20.06512  ?  68  ALA A O   1 
ATOM   480  C CB  . ALA A 1 70 ? 2.74257  9.15032   45.25151  1.000 32.73288  ?  68  ALA A CB  1 
ATOM   481  N N   . ARG A 1 71 ? 2.67245  6.29055   43.76509  1.000 21.14440  ?  69  ARG A N   1 
ATOM   482  C CA  . ARG A 1 71 ? 3.18023  5.44474   42.68973  1.000 24.27685  ?  69  ARG A CA  1 
ATOM   483  C C   . ARG A 1 71 ? 2.04611  4.88739   41.83958  1.000 21.96935  ?  69  ARG A C   1 
ATOM   484  O O   . ARG A 1 71 ? 2.16050  4.82248   40.61032  1.000 40.11854  ?  69  ARG A O   1 
ATOM   485  C CB  . ARG A 1 71 ? 4.02637  4.30994   43.26531  1.000 15.76424  ?  69  ARG A CB  1 
ATOM   486  C CG  . ARG A 1 71 ? 5.28234  4.77802   43.97869  1.000 40.86208  ?  69  ARG A CG  1 
ATOM   487  C CD  . ARG A 1 71 ? 6.03060  3.61292   44.59766  1.000 30.92917  ?  69  ARG A CD  1 
ATOM   488  N NE  . ARG A 1 71 ? 6.49682  2.67076   43.58789  1.000 34.59802  ?  69  ARG A NE  1 
ATOM   489  C CZ  . ARG A 1 71 ? 7.21630  1.58843   43.85009  1.000 41.09534  ?  69  ARG A CZ  1 
ATOM   490  N NH1 . ARG A 1 71 ? 7.56938  1.27562   45.08639  1.000 22.67767  ?  69  ARG A NH1 1 
ATOM   491  N NH2 . ARG A 1 71 ? 7.59141  0.79998   42.84705  1.000 40.77675  ?  69  ARG A NH2 1 
ATOM   492  N N   . ILE A 1 72 ? 0.94227  4.48143   42.47101  1.000 21.15394  ?  70  ILE A N   1 
ATOM   493  C CA  . ILE A 1 72 ? -0.16686 3.92814   41.70202  1.000 26.96986  ?  70  ILE A CA  1 
ATOM   494  C C   . ILE A 1 72 ? -0.90775 5.03243   40.95786  1.000 27.87254  ?  70  ILE A C   1 
ATOM   495  O O   . ILE A 1 72 ? -1.42893 4.80563   39.85979  1.000 27.70566  ?  70  ILE A O   1 
ATOM   496  C CB  . ILE A 1 72 ? -1.10780 3.11536   42.61433  1.000 25.80234  ?  70  ILE A CB  1 
ATOM   497  C CG1 . ILE A 1 72 ? -2.16021 2.37886   41.78249  1.000 24.60314  ?  70  ILE A CG1 1 
ATOM   498  C CG2 . ILE A 1 72 ? -1.78255 4.00824   43.64487  1.000 34.78679  ?  70  ILE A CG2 1 
ATOM   499  C CD1 . ILE A 1 72 ? -1.57166 1.45806   40.73800  1.000 30.80110  ?  70  ILE A CD1 1 
ATOM   500  N N   . LEU A 1 73 ? -0.95286 6.24369   41.51942  1.000 26.80845  ?  71  LEU A N   1 
ATOM   501  C CA  . LEU A 1 73 ? -1.58555 7.35253   40.81307  1.000 34.28998  ?  71  LEU A CA  1 
ATOM   502  C C   . LEU A 1 73 ? -0.77179 7.77408   39.59889  1.000 29.51969  ?  71  LEU A C   1 
ATOM   503  O O   . LEU A 1 73 ? -1.34470 8.17813   38.58102  1.000 26.24752  ?  71  LEU A O   1 
ATOM   504  C CB  . LEU A 1 73 ? -1.78744 8.53754   41.75728  1.000 18.02767  ?  71  LEU A CB  1 
ATOM   505  C CG  . LEU A 1 73 ? -2.44499 9.79342   41.17966  1.000 26.45267  ?  71  LEU A CG  1 
ATOM   506  C CD1 . LEU A 1 73 ? -3.81778 9.46889   40.60685  1.000 28.62483  ?  71  LEU A CD1 1 
ATOM   507  C CD2 . LEU A 1 73 ? -2.54624 10.88660  42.23448  1.000 29.12049  ?  71  LEU A CD2 1 
ATOM   508  N N   . ALA A 1 74 ? 0.55700  7.68376   39.68564  1.000 24.00766  ?  72  ALA A N   1 
ATOM   509  C CA  . ALA A 1 74 ? 1.39371  7.95512   38.52272  1.000 27.29505  ?  72  ALA A CA  1 
ATOM   510  C C   . ALA A 1 74 ? 1.14891  6.93314   37.41913  1.000 30.68905  ?  72  ALA A C   1 
ATOM   511  O O   . ALA A 1 74 ? 1.18613  7.27386   36.23117  1.000 41.48718  ?  72  ALA A O   1 
ATOM   512  C CB  . ALA A 1 74 ? 2.86663  7.96907   38.92862  1.000 16.28951  ?  72  ALA A CB  1 
ATOM   513  N N   . VAL A 1 75 ? 0.88609  5.67882   37.79078  1.000 37.10943  ?  73  VAL A N   1 
ATOM   514  C CA  . VAL A 1 75 ? 0.60026  4.65609   36.78914  1.000 22.48792  ?  73  VAL A CA  1 
ATOM   515  C C   . VAL A 1 75 ? -0.80869 4.83045   36.23472  1.000 26.83309  ?  73  VAL A C   1 
ATOM   516  O O   . VAL A 1 75 ? -1.03627 4.69002   35.02664  1.000 48.66980  ?  73  VAL A O   1 
ATOM   517  C CB  . VAL A 1 75 ? 0.81038  3.25296   37.38627  1.000 20.40188  ?  73  VAL A CB  1 
ATOM   518  C CG1 . VAL A 1 75 ? 0.36746  2.18244   36.40437  1.000 33.28276  ?  73  VAL A CG1 1 
ATOM   519  C CG2 . VAL A 1 75 ? 2.27075  3.05668   37.76822  1.000 23.85950  ?  73  VAL A CG2 1 
ATOM   520  N N   . GLU A 1 76 ? -1.77455 5.14154   37.10354  1.000 30.86639  ?  74  GLU A N   1 
ATOM   521  C CA  . GLU A 1 76 ? -3.13834 5.38618   36.64246  1.000 33.44221  ?  74  GLU A CA  1 
ATOM   522  C C   . GLU A 1 76 ? -3.18943 6.55544   35.66766  1.000 31.98891  ?  74  GLU A C   1 
ATOM   523  O O   . GLU A 1 76 ? -3.88747 6.49510   34.64869  1.000 27.75196  ?  74  GLU A O   1 
ATOM   524  C CB  . GLU A 1 76 ? -4.05951 5.64808   37.83522  1.000 22.24911  ?  74  GLU A CB  1 
ATOM   525  C CG  . GLU A 1 76 ? -4.32470 4.43421   38.71076  1.000 30.33025  ?  74  GLU A CG  1 
ATOM   526  C CD  . GLU A 1 76 ? -5.04442 4.79316   39.99791  1.000 32.56715  ?  74  GLU A CD  1 
ATOM   527  O OE1 . GLU A 1 76 ? -5.21707 6.00102   40.26800  1.000 30.86352  ?  74  GLU A OE1 1 
ATOM   528  O OE2 . GLU A 1 76 ? -5.43665 3.86857   40.74045  1.000 45.00135  -1 74  GLU A OE2 1 
ATOM   529  N N   . ARG A 1 77 ? -2.45444 7.62972   35.96342  1.000 30.06456  ?  75  ARG A N   1 
ATOM   530  C CA  . ARG A 1 77 ? -2.43237 8.77956   35.06681  1.000 27.79723  ?  75  ARG A CA  1 
ATOM   531  C C   . ARG A 1 77 ? -1.64749 8.48606   33.79511  1.000 33.48287  ?  75  ARG A C   1 
ATOM   532  O O   . ARG A 1 77 ? -1.96060 9.03962   32.73535  1.000 31.63632  ?  75  ARG A O   1 
ATOM   533  C CB  . ARG A 1 77 ? -1.84968 9.99501   35.78841  1.000 18.70663  ?  75  ARG A CB  1 
ATOM   534  C CG  . ARG A 1 77 ? -2.78302 10.60380  36.82590  1.000 33.65195  ?  75  ARG A CG  1 
ATOM   535  C CD  . ARG A 1 77 ? -2.05227 11.58425  37.73151  1.000 22.92182  ?  75  ARG A CD  1 
ATOM   536  N NE  . ARG A 1 77 ? -2.97349 12.35014  38.56342  1.000 38.13824  ?  75  ARG A NE  1 
ATOM   537  C CZ  . ARG A 1 77 ? -2.60228 13.15222  39.55228  1.000 28.45603  ?  75  ARG A CZ  1 
ATOM   538  N NH1 . ARG A 1 77 ? -1.32923 13.30195  39.88072  1.000 39.46962  ?  75  ARG A NH1 1 
ATOM   539  N NH2 . ARG A 1 77 ? -3.53206 13.81860  40.23106  1.000 34.47039  ?  75  ARG A NH2 1 
ATOM   540  N N   . TYR A 1 78 ? -0.63330 7.62233   33.87649  1.000 33.88625  ?  76  TYR A N   1 
ATOM   541  C CA  . TYR A 1 78 ? 0.12990  7.26099   32.68617  1.000 18.64911  ?  76  TYR A CA  1 
ATOM   542  C C   . TYR A 1 78 ? -0.73344 6.49030   31.69497  1.000 44.92801  ?  76  TYR A C   1 
ATOM   543  O O   . TYR A 1 78 ? -0.73309 6.78535   30.49423  1.000 23.58941  ?  76  TYR A O   1 
ATOM   544  C CB  . TYR A 1 78 ? 1.36000  6.44301   33.08073  1.000 38.38978  ?  76  TYR A CB  1 
ATOM   545  C CG  . TYR A 1 78 ? 2.09644  5.83770   31.90717  1.000 44.64467  ?  76  TYR A CG  1 
ATOM   546  C CD1 . TYR A 1 78 ? 3.00001  6.58831   31.16711  1.000 40.17429  ?  76  TYR A CD1 1 
ATOM   547  C CD2 . TYR A 1 78 ? 1.89072  4.51338   31.54191  1.000 42.05009  ?  76  TYR A CD2 1 
ATOM   548  C CE1 . TYR A 1 78 ? 3.67508  6.03799   30.09461  1.000 42.46477  ?  76  TYR A CE1 1 
ATOM   549  C CE2 . TYR A 1 78 ? 2.56001  3.95522   30.47177  1.000 41.07457  ?  76  TYR A CE2 1 
ATOM   550  C CZ  . TYR A 1 78 ? 3.45159  4.72110   29.75219  1.000 48.04159  ?  76  TYR A CZ  1 
ATOM   551  O OH  . TYR A 1 78 ? 4.12055  4.16749   28.68464  1.000 47.43490  ?  76  TYR A OH  1 
ATOM   552  N N   . LEU A 1 79 ? -1.47798 5.49448   32.18050  1.000 41.63656  ?  77  LEU A N   1 
ATOM   553  C CA  . LEU A 1 79 ? -2.33778 4.71339   31.30015  1.000 38.53970  ?  77  LEU A CA  1 
ATOM   554  C C   . LEU A 1 79 ? -3.50579 5.52890   30.75970  1.000 30.41849  ?  77  LEU A C   1 
ATOM   555  O O   . LEU A 1 79 ? -4.08587 5.15217   29.73611  1.000 31.94203  ?  77  LEU A O   1 
ATOM   556  C CB  . LEU A 1 79 ? -2.85002 3.47187   32.03361  1.000 16.19047  ?  77  LEU A CB  1 
ATOM   557  C CG  . LEU A 1 79 ? -1.77258 2.49456   32.51506  1.000 24.94117  ?  77  LEU A CG  1 
ATOM   558  C CD1 . LEU A 1 79 ? -2.39139 1.30452   33.23192  1.000 25.97568  ?  77  LEU A CD1 1 
ATOM   559  C CD2 . LEU A 1 79 ? -0.90392 2.03032   31.35486  1.000 35.24205  ?  77  LEU A CD2 1 
ATOM   560  N N   . LYS A 1 80 ? -3.86247 6.63410   31.41778  1.000 26.69469  ?  78  LYS A N   1 
ATOM   561  C CA  . LYS A 1 80 ? -4.89441 7.51272   30.87867  1.000 32.18170  ?  78  LYS A CA  1 
ATOM   562  C C   . LYS A 1 80 ? -4.32222 8.46564   29.83614  1.000 39.00687  ?  78  LYS A C   1 
ATOM   563  O O   . LYS A 1 80 ? -4.99617 8.78976   28.85170  1.000 32.72107  ?  78  LYS A O   1 
ATOM   564  C CB  . LYS A 1 80 ? -5.56434 8.29766   32.00749  1.000 19.50671  ?  78  LYS A CB  1 
ATOM   565  N N   . ASP A 1 81 ? -3.08092 8.91943   30.03322  1.000 31.65586  ?  79  ASP A N   1 
ATOM   566  C CA  . ASP A 1 81 ? -2.46384 9.82888   29.07342  1.000 39.21214  ?  79  ASP A CA  1 
ATOM   567  C C   . ASP A 1 81 ? -2.10477 9.12099   27.77326  1.000 38.64359  ?  79  ASP A C   1 
ATOM   568  O O   . ASP A 1 81 ? -2.01254 9.76862   26.72422  1.000 58.78927  ?  79  ASP A O   1 
ATOM   569  C CB  . ASP A 1 81 ? -1.21882 10.47605  29.68180  1.000 42.23914  ?  79  ASP A CB  1 
ATOM   570  C CG  . ASP A 1 81 ? -1.53950 11.35114  30.87859  1.000 46.07438  ?  79  ASP A CG  1 
ATOM   571  O OD1 . ASP A 1 81 ? -2.73461 11.49297  31.21269  1.000 38.64742  ?  79  ASP A OD1 1 
ATOM   572  O OD2 . ASP A 1 81 ? -0.59392 11.89329  31.48858  1.000 30.85097  -1 79  ASP A OD2 1 
ATOM   573  N N   . GLN A 1 82 ? -1.89622 7.80197   27.81752  1.000 35.35665  ?  80  GLN A N   1 
ATOM   574  C CA  . GLN A 1 82 ? -1.57134 7.06011   26.60450  1.000 40.11583  ?  80  GLN A CA  1 
ATOM   575  C C   . GLN A 1 82 ? -2.73941 6.99943   25.62980  1.000 62.57895  ?  80  GLN A C   1 
ATOM   576  O O   . GLN A 1 82 ? -2.53568 6.66370   24.45827  1.000 56.55221  ?  80  GLN A O   1 
ATOM   577  C CB  . GLN A 1 82 ? -1.11900 5.63971   26.95037  1.000 33.31095  ?  80  GLN A CB  1 
ATOM   578  C CG  . GLN A 1 82 ? 0.30876  5.54319   27.45929  1.000 40.49383  ?  80  GLN A CG  1 
ATOM   579  C CD  . GLN A 1 82 ? 0.91784  4.17322   27.22440  1.000 59.37244  ?  80  GLN A CD  1 
ATOM   580  O OE1 . GLN A 1 82 ? 2.13551  4.03481   27.10782  1.000 68.72914  ?  80  GLN A OE1 1 
ATOM   581  N NE2 . GLN A 1 82 ? 0.07111  3.15268   27.15048  1.000 61.58440  ?  80  GLN A NE2 1 
ATOM   582  N N   . GLN A 1 83 ? -3.94960 7.30799   26.08217  1.000 60.65082  ?  81  GLN A N   1 
ATOM   583  C CA  . GLN A 1 83 ? -5.11921 7.28174   25.21499  1.000 49.33693  ?  81  GLN A CA  1 
ATOM   584  C C   . GLN A 1 83 ? -5.37960 8.66992   24.63799  1.000 47.50245  ?  81  GLN A C   1 
ATOM   585  O O   . GLN A 1 83 ? -6.49504 8.98403   24.22328  1.000 69.29800  ?  81  GLN A O   1 
ATOM   586  C CB  . GLN A 1 83 ? -6.34498 6.78091   25.98261  1.000 47.17155  ?  81  GLN A CB  1 
ATOM   587  C CG  . GLN A 1 83 ? -6.09797 5.52120   26.80111  1.000 45.07585  ?  81  GLN A CG  1 
ATOM   588  C CD  . GLN A 1 83 ? -5.76532 4.31395   25.94074  1.000 79.04452  ?  81  GLN A CD  1 
ATOM   589  O OE1 . GLN A 1 83 ? -6.65380 3.56615   25.53044  1.000 82.04934  ?  81  GLN A OE1 1 
ATOM   590  N NE2 . GLN A 1 83 ? -4.48032 4.11564   25.66766  1.000 70.66946  ?  81  GLN A NE2 1 
ATOM   591  N N   . ARG B 1 6  ? 13.00449 30.53236  5.84574   1.000 76.37539  ?  4   ARG B N   1 
ATOM   592  C CA  . ARG B 1 6  ? 13.04329 29.81630  4.57585   1.000 76.16162  ?  4   ARG B CA  1 
ATOM   593  C C   . ARG B 1 6  ? 11.71366 29.92498  3.83688   1.000 78.91256  ?  4   ARG B C   1 
ATOM   594  O O   . ARG B 1 6  ? 11.68444 30.04593  2.61117   1.000 90.04326  ?  4   ARG B O   1 
ATOM   595  C CB  . ARG B 1 6  ? 13.40444 28.34548  4.80112   1.000 89.80831  ?  4   ARG B CB  1 
ATOM   596  C CG  . ARG B 1 6  ? 13.28086 27.47144  3.56017   1.000 86.98999  ?  4   ARG B CG  1 
ATOM   597  C CD  . ARG B 1 6  ? 13.99600 26.13968  3.74130   1.000 100.01065 ?  4   ARG B CD  1 
ATOM   598  N NE  . ARG B 1 6  ? 13.74770 25.23083  2.62801   1.000 84.50135  ?  4   ARG B NE  1 
ATOM   599  C CZ  . ARG B 1 6  ? 14.40835 24.09974  2.41900   1.000 98.48566  ?  4   ARG B CZ  1 
ATOM   600  N NH1 . ARG B 1 6  ? 15.39102 23.71431  3.21691   1.000 79.55111  ?  4   ARG B NH1 1 
ATOM   601  N NH2 . ARG B 1 6  ? 14.07661 23.33710  1.38128   1.000 99.10870  ?  4   ARG B NH2 1 
ATOM   602  N N   . ILE B 1 7  ? 10.61143 29.88053  4.58889   1.000 70.30471  ?  5   ILE B N   1 
ATOM   603  C CA  . ILE B 1 7  ? 9.29318  29.99534  3.97115   1.000 58.56324  ?  5   ILE B CA  1 
ATOM   604  C C   . ILE B 1 7  ? 9.13125  31.36202  3.31898   1.000 64.37003  ?  5   ILE B C   1 
ATOM   605  O O   . ILE B 1 7  ? 8.54115  31.48587  2.23896   1.000 75.78148  ?  5   ILE B O   1 
ATOM   606  C CB  . ILE B 1 7  ? 8.18705  29.72644  5.00813   1.000 54.77100  ?  5   ILE B CB  1 
ATOM   607  C CG1 . ILE B 1 7  ? 8.45552  28.41468  5.74787   1.000 60.91345  ?  5   ILE B CG1 1 
ATOM   608  C CG2 . ILE B 1 7  ? 6.82766  29.67849  4.33043   1.000 57.68093  ?  5   ILE B CG2 1 
ATOM   609  C CD1 . ILE B 1 7  ? 7.41063  28.07462  6.79109   1.000 51.56864  ?  5   ILE B CD1 1 
ATOM   610  N N   . GLU B 1 8  ? 9.66189  32.40779  3.95715   1.000 66.78779  ?  6   GLU B N   1 
ATOM   611  C CA  . GLU B 1 8  ? 9.59016  33.74282  3.37248   1.000 73.07408  ?  6   GLU B CA  1 
ATOM   612  C C   . GLU B 1 8  ? 10.43044 33.83611  2.10452   1.000 80.31202  ?  6   GLU B C   1 
ATOM   613  O O   . GLU B 1 8  ? 10.01999 34.47299  1.12706   1.000 79.19786  ?  6   GLU B O   1 
ATOM   614  C CB  . GLU B 1 8  ? 10.03801 34.78765  4.39441   1.000 74.81239  ?  6   GLU B CB  1 
ATOM   615  N N   . SER B 1 9  ? 11.60947 33.20823  2.10070   1.000 89.06212  ?  7   SER B N   1 
ATOM   616  C CA  . SER B 1 9  ? 12.44089 33.20782  0.90112   1.000 88.08119  ?  7   SER B CA  1 
ATOM   617  C C   . SER B 1 9  ? 11.81218 32.36702  -0.20239  1.000 77.04477  ?  7   SER B C   1 
ATOM   618  O O   . SER B 1 9  ? 11.90452 32.71519  -1.38514  1.000 75.24931  ?  7   SER B O   1 
ATOM   619  C CB  . SER B 1 9  ? 13.84361 32.70015  1.23269   1.000 83.27598  ?  7   SER B CB  1 
ATOM   620  O OG  . SER B 1 9  ? 14.48213 33.54986  2.16989   1.000 94.83994  ?  7   SER B OG  1 
ATOM   621  N N   . LEU B 1 10 ? 11.17470 31.25320  0.16434   1.000 64.14513  ?  8   LEU B N   1 
ATOM   622  C CA  . LEU B 1 10 ? 10.43397 30.47008  -0.81909  1.000 62.36037  ?  8   LEU B CA  1 
ATOM   623  C C   . LEU B 1 10 ? 9.24731  31.25573  -1.36306  1.000 70.69497  ?  8   LEU B C   1 
ATOM   624  O O   . LEU B 1 10 ? 8.93765  31.17463  -2.55787  1.000 64.25880  ?  8   LEU B O   1 
ATOM   625  C CB  . LEU B 1 10 ? 9.97209  29.15173  -0.19932  1.000 60.19297  ?  8   LEU B CB  1 
ATOM   626  C CG  . LEU B 1 10 ? 10.80953 27.91382  -0.52331  1.000 61.42973  ?  8   LEU B CG  1 
ATOM   627  C CD1 . LEU B 1 10 ? 10.60751 27.50150  -1.97427  1.000 61.79868  ?  8   LEU B CD1 1 
ATOM   628  C CD2 . LEU B 1 10 ? 12.28277 28.16304  -0.23525  1.000 64.77587  ?  8   LEU B CD2 1 
ATOM   629  N N   . ILE B 1 11 ? 8.57405  32.02240  -0.50225  1.000 63.50427  ?  9   ILE B N   1 
ATOM   630  C CA  . ILE B 1 11 ? 7.49065  32.88571  -0.96185  1.000 65.27917  ?  9   ILE B CA  1 
ATOM   631  C C   . ILE B 1 11 ? 8.03534  34.01123  -1.83414  1.000 71.29556  ?  9   ILE B C   1 
ATOM   632  O O   . ILE B 1 11 ? 7.38056  34.43515  -2.79609  1.000 71.63821  ?  9   ILE B O   1 
ATOM   633  C CB  . ILE B 1 11 ? 6.69754  33.41972  0.24865   1.000 58.57965  ?  9   ILE B CB  1 
ATOM   634  C CG1 . ILE B 1 11 ? 5.80666  32.31603  0.82857   1.000 71.59023  ?  9   ILE B CG1 1 
ATOM   635  C CG2 . ILE B 1 11 ? 5.87034  34.64374  -0.12326  1.000 56.39900  ?  9   ILE B CG2 1 
ATOM   636  C CD1 . ILE B 1 11 ? 5.03559  32.72861  2.06509   1.000 51.88678  ?  9   ILE B CD1 1 
ATOM   637  N N   . ARG B 1 12 ? 9.24463  34.49355  -1.53705  1.000 63.61122  ?  10  ARG B N   1 
ATOM   638  C CA  . ARG B 1 12 ? 9.82894  35.57920  -2.31919  1.000 68.27055  ?  10  ARG B CA  1 
ATOM   639  C C   . ARG B 1 12 ? 10.14740 35.12795  -3.74047  1.000 83.86523  ?  10  ARG B C   1 
ATOM   640  O O   . ARG B 1 12 ? 9.84911  35.83727  -4.70842  1.000 81.60447  ?  10  ARG B O   1 
ATOM   641  C CB  . ARG B 1 12 ? 11.08585 36.10688  -1.62572  1.000 69.18940  ?  10  ARG B CB  1 
ATOM   642  N N   . GLU B 1 13 ? 10.75711 33.94835  -3.88642  1.000 89.82358  ?  11  GLU B N   1 
ATOM   643  C CA  . GLU B 1 13 ? 11.07491 33.44030  -5.21778  1.000 87.33431  ?  11  GLU B CA  1 
ATOM   644  C C   . GLU B 1 13 ? 9.81903  33.14829  -6.03002  1.000 82.82430  ?  11  GLU B C   1 
ATOM   645  O O   . GLU B 1 13 ? 9.83154  33.29220  -7.25763  1.000 87.63771  ?  11  GLU B O   1 
ATOM   646  C CB  . GLU B 1 13 ? 11.93296 32.18318  -5.10743  1.000 85.69630  ?  11  GLU B CB  1 
ATOM   647  C CG  . GLU B 1 13 ? 13.24169 32.39834  -4.38294  1.000 99.44212  ?  11  GLU B CG  1 
ATOM   648  C CD  . GLU B 1 13 ? 13.70667 31.15183  -3.66735  1.000 120.01348 ?  11  GLU B CD  1 
ATOM   649  O OE1 . GLU B 1 13 ? 13.18928 30.05783  -3.97905  1.000 113.99104 ?  11  GLU B OE1 1 
ATOM   650  O OE2 . GLU B 1 13 ? 14.58071 31.26779  -2.78456  1.000 131.54787 -1 11  GLU B OE2 1 
ATOM   651  N N   . ALA B 1 14 ? 8.73297  32.73279  -5.37303  1.000 81.64989  ?  12  ALA B N   1 
ATOM   652  C CA  . ALA B 1 14 ? 7.48436  32.50102  -6.09115  1.000 75.36970  ?  12  ALA B CA  1 
ATOM   653  C C   . ALA B 1 14 ? 6.79272  33.80849  -6.44803  1.000 75.28498  ?  12  ALA B C   1 
ATOM   654  O O   . ALA B 1 14 ? 6.00137  33.85177  -7.39676  1.000 83.55620  ?  12  ALA B O   1 
ATOM   655  C CB  . ALA B 1 14 ? 6.55478  31.61946  -5.26076  1.000 58.30163  ?  12  ALA B CB  1 
ATOM   656  N N   . GLN B 1 15 ? 7.06165  34.87489  -5.69383  1.000 71.78520  ?  13  GLN B N   1 
ATOM   657  C CA  . GLN B 1 15 ? 6.52569  36.17989  -6.05593  1.000 70.24293  ?  13  GLN B CA  1 
ATOM   658  C C   . GLN B 1 15 ? 7.27104  36.76822  -7.24530  1.000 77.29452  ?  13  GLN B C   1 
ATOM   659  O O   . GLN B 1 15 ? 6.67002  37.46636  -8.06975  1.000 75.52147  ?  13  GLN B O   1 
ATOM   660  C CB  . GLN B 1 15 ? 6.59160  37.12550  -4.85661  1.000 71.01611  ?  13  GLN B CB  1 
ATOM   661  N N   . ASN B 1 16 ? 8.57328  36.49315  -7.35413  1.000 83.14808  ?  14  ASN B N   1 
ATOM   662  C CA  . ASN B 1 16 ? 9.33260  36.96360  -8.50714  1.000 77.71763  ?  14  ASN B CA  1 
ATOM   663  C C   . ASN B 1 16 ? 8.98648  36.16221  -9.75366  1.000 87.12010  ?  14  ASN B C   1 
ATOM   664  O O   . ASN B 1 16 ? 8.85212  36.72710  -10.84468 1.000 83.56926  ?  14  ASN B O   1 
ATOM   665  C CB  . ASN B 1 16 ? 10.83250 36.88129  -8.22434  1.000 89.28213  ?  14  ASN B CB  1 
ATOM   666  C CG  . ASN B 1 16 ? 11.27128 37.81154  -7.11164  1.000 95.33438  ?  14  ASN B CG  1 
ATOM   667  O OD1 . ASN B 1 16 ? 10.44574 38.38113  -6.39836  1.000 89.84701  ?  14  ASN B OD1 1 
ATOM   668  N ND2 . ASN B 1 16 ? 12.58129 37.96538  -6.95405  1.000 101.35674 ?  14  ASN B ND2 1 
ATOM   669  N N   . GLN B 1 17 ? 8.84748  34.84239  -9.61306  1.000 75.05485  ?  15  GLN B N   1 
ATOM   670  C CA  . GLN B 1 17 ? 8.48787  34.01315  -10.75746 1.000 68.35576  ?  15  GLN B CA  1 
ATOM   671  C C   . GLN B 1 17 ? 7.06357  34.28420  -11.22250 1.000 78.35499  ?  15  GLN B C   1 
ATOM   672  O O   . GLN B 1 17 ? 6.78474  34.21924  -12.42582 1.000 67.36335  ?  15  GLN B O   1 
ATOM   673  C CB  . GLN B 1 17 ? 8.66599  32.53623  -10.40926 1.000 67.02868  ?  15  GLN B CB  1 
ATOM   674  C CG  . GLN B 1 17 ? 8.34722  31.57818  -11.54546 1.000 74.23374  ?  15  GLN B CG  1 
ATOM   675  C CD  . GLN B 1 17 ? 9.26292  31.76338  -12.73897 1.000 76.66637  ?  15  GLN B CD  1 
ATOM   676  O OE1 . GLN B 1 17 ? 10.45600 31.47017  -12.67157 1.000 84.70740  ?  15  GLN B OE1 1 
ATOM   677  N NE2 . GLN B 1 17 ? 8.70841  32.25757  -13.83944 1.000 70.18478  ?  15  GLN B NE2 1 
ATOM   678  N N   . GLN B 1 18 ? 6.15562  34.59594  -10.29287 1.000 66.97439  ?  16  GLN B N   1 
ATOM   679  C CA  . GLN B 1 18 ? 4.79576  34.95220  -10.68437 1.000 64.56789  ?  16  GLN B CA  1 
ATOM   680  C C   . GLN B 1 18 ? 4.78876  36.20608  -11.54798 1.000 81.49250  ?  16  GLN B C   1 
ATOM   681  O O   . GLN B 1 18 ? 3.98254  36.32472  -12.47835 1.000 72.39230  ?  16  GLN B O   1 
ATOM   682  C CB  . GLN B 1 18 ? 3.92128  35.14698  -9.44486  1.000 60.92969  ?  16  GLN B CB  1 
ATOM   683  C CG  . GLN B 1 18 ? 2.49073  35.57677  -9.74616  1.000 59.67737  ?  16  GLN B CG  1 
ATOM   684  C CD  . GLN B 1 18 ? 1.70743  34.53070  -10.51998 1.000 68.91212  ?  16  GLN B CD  1 
ATOM   685  O OE1 . GLN B 1 18 ? 1.99783  33.33673  -10.44563 1.000 73.01562  ?  16  GLN B OE1 1 
ATOM   686  N NE2 . GLN B 1 18 ? 0.70667  34.97802  -11.26989 1.000 71.01027  ?  16  GLN B NE2 1 
ATOM   687  N N   . GLU B 1 19 ? 5.68933  37.14851  -11.26239 1.000 86.26386  ?  17  GLU B N   1 
ATOM   688  C CA  . GLU B 1 19 ? 5.79141  38.34939  -12.08448 1.000 81.23252  ?  17  GLU B CA  1 
ATOM   689  C C   . GLU B 1 19 ? 6.25807  38.00733  -13.49458 1.000 87.10610  ?  17  GLU B C   1 
ATOM   690  O O   . GLU B 1 19 ? 5.65328  38.43662  -14.48409 1.000 81.32584  ?  17  GLU B O   1 
ATOM   691  C CB  . GLU B 1 19 ? 6.74038  39.35313  -11.42790 1.000 79.11554  ?  17  GLU B CB  1 
ATOM   692  N N   . LYS B 1 20 ? 7.32920  37.21680  -13.60510 1.000 81.92812  ?  18  LYS B N   1 
ATOM   693  C CA  . LYS B 1 20 ? 7.86408  36.87581  -14.91965 1.000 74.48735  ?  18  LYS B CA  1 
ATOM   694  C C   . LYS B 1 20 ? 6.85728  36.09086  -15.75104 1.000 73.03373  ?  18  LYS B C   1 
ATOM   695  O O   . LYS B 1 20 ? 6.89574  36.14574  -16.98563 1.000 88.37067  ?  18  LYS B O   1 
ATOM   696  C CB  . LYS B 1 20 ? 9.16557  36.08801  -14.76791 1.000 75.55613  ?  18  LYS B CB  1 
ATOM   697  C CG  . LYS B 1 20 ? 10.17771 36.74142  -13.83745 1.000 77.04315  ?  18  LYS B CG  1 
ATOM   698  C CD  . LYS B 1 20 ? 10.41630 38.19855  -14.20520 1.000 79.51373  ?  18  LYS B CD  1 
ATOM   699  C CE  . LYS B 1 20 ? 10.16040 39.11217  -13.01545 1.000 79.02614  ?  18  LYS B CE  1 
ATOM   700  N NZ  . LYS B 1 20 ? 10.30737 40.55070  -13.36990 1.000 81.50983  ?  18  LYS B NZ  1 
ATOM   701  N N   . ASN B 1 21 ? 5.95086  35.35918  -15.09878 1.000 70.18345  ?  19  ASN B N   1 
ATOM   702  C CA  . ASN B 1 21 ? 4.87990  34.69152  -15.83103 1.000 68.89396  ?  19  ASN B CA  1 
ATOM   703  C C   . ASN B 1 21 ? 3.83199  35.69095  -16.30280 1.000 69.15037  ?  19  ASN B C   1 
ATOM   704  O O   . ASN B 1 21 ? 3.32551  35.58521  -17.42581 1.000 80.64707  ?  19  ASN B O   1 
ATOM   705  C CB  . ASN B 1 21 ? 4.23681  33.61370  -14.95966 1.000 66.64697  ?  19  ASN B CB  1 
ATOM   706  C CG  . ASN B 1 21 ? 5.16267  32.44432  -14.70158 1.000 67.01166  ?  19  ASN B CG  1 
ATOM   707  O OD1 . ASN B 1 21 ? 6.37494  32.54235  -14.89186 1.000 71.03257  ?  19  ASN B OD1 1 
ATOM   708  N ND2 . ASN B 1 21 ? 4.59418  31.32689  -14.26517 1.000 72.26248  ?  19  ASN B ND2 1 
ATOM   709  N N   . GLU B 1 22 ? 3.49028  36.66556  -15.45668 1.000 82.11696  ?  20  GLU B N   1 
ATOM   710  C CA  . GLU B 1 22 ? 2.53905  37.69426  -15.86163 1.000 81.45188  ?  20  GLU B CA  1 
ATOM   711  C C   . GLU B 1 22 ? 3.13461  38.62616  -16.90760 1.000 99.23800  ?  20  GLU B C   1 
ATOM   712  O O   . GLU B 1 22 ? 2.39720  39.20035  -17.71691 1.000 85.16901  ?  20  GLU B O   1 
ATOM   713  C CB  . GLU B 1 22 ? 2.07522  38.48850  -14.64186 1.000 78.73336  ?  20  GLU B CB  1 
ATOM   714  C CG  . GLU B 1 22 ? 1.25514  37.67593  -13.65777 1.000 75.56085  ?  20  GLU B CG  1 
ATOM   715  C CD  . GLU B 1 22 ? 0.99748  38.41547  -12.36309 1.000 95.98538  ?  20  GLU B CD  1 
ATOM   716  O OE1 . GLU B 1 22 ? 1.80772  39.29810  -12.00970 1.000 88.03782  ?  20  GLU B OE1 1 
ATOM   717  O OE2 . GLU B 1 22 ? -0.01739 38.11678  -11.69870 1.000 93.19213  -1 20  GLU B OE2 1 
ATOM   718  N N   . GLN B 1 23 ? 4.45895  38.78864  -16.90856 1.000 102.97417 ?  21  GLN B N   1 
ATOM   719  C CA  . GLN B 1 23 ? 5.09805  39.61509  -17.92600 1.000 96.53376  ?  21  GLN B CA  1 
ATOM   720  C C   . GLN B 1 23 ? 5.11662  38.90929  -19.27522 1.000 97.44085  ?  21  GLN B C   1 
ATOM   721  O O   . GLN B 1 23 ? 4.89687  39.54026  -20.31589 1.000 106.15857 ?  21  GLN B O   1 
ATOM   722  C CB  . GLN B 1 23 ? 6.51600  39.97872  -17.49009 1.000 98.35326  ?  21  GLN B CB  1 
ATOM   723  C CG  . GLN B 1 23 ? 7.25027  40.88084  -18.46467 1.000 109.18480 ?  21  GLN B CG  1 
ATOM   724  C CD  . GLN B 1 23 ? 8.61870  41.28661  -17.95922 1.000 116.15985 ?  21  GLN B CD  1 
ATOM   725  O OE1 . GLN B 1 23 ? 9.03372  40.88856  -16.87072 1.000 102.87561 ?  21  GLN B OE1 1 
ATOM   726  N NE2 . GLN B 1 23 ? 9.32839  42.08490  -18.74811 1.000 117.42777 ?  21  GLN B NE2 1 
ATOM   727  N N   . ALA B 1 24 ? 5.37577  37.59940  -19.27766 1.000 78.53173  ?  22  ALA B N   1 
ATOM   728  C CA  . ALA B 1 24 ? 5.38251  36.85079  -20.52907 1.000 83.75011  ?  22  ALA B CA  1 
ATOM   729  C C   . ALA B 1 24 ? 3.98249  36.72010  -21.11356 1.000 77.06871  ?  22  ALA B C   1 
ATOM   730  O O   . ALA B 1 24 ? 3.83380  36.54796  -22.32861 1.000 91.07647  ?  22  ALA B O   1 
ATOM   731  C CB  . ALA B 1 24 ? 5.99932  35.46914  -20.31281 1.000 76.97625  ?  22  ALA B CB  1 
ATOM   732  N N   . LEU B 1 25 ? 2.95295  36.80158  -20.27685 1.000 74.77067  ?  23  LEU B N   1 
ATOM   733  C CA  . LEU B 1 25 ? 1.57599  36.69400  -20.74425 1.000 74.83477  ?  23  LEU B CA  1 
ATOM   734  C C   . LEU B 1 25 ? 1.14525  37.96607  -21.46742 1.000 76.12942  ?  23  LEU B C   1 
ATOM   735  O O   . LEU B 1 25 ? 1.30882  38.08772  -22.68158 1.000 78.42842  ?  23  LEU B O   1 
ATOM   736  C CB  . LEU B 1 25 ? 0.63243  36.40874  -19.57441 1.000 70.95020  ?  23  LEU B CB  1 
ATOM   737  C CG  . LEU B 1 25 ? -0.82454 36.10382  -19.92919 1.000 69.86163  ?  23  LEU B CG  1 
ATOM   738  C CD1 . LEU B 1 25 ? -0.94083 34.75415  -20.62364 1.000 72.06914  ?  23  LEU B CD1 1 
ATOM   739  C CD2 . LEU B 1 25 ? -1.70412 36.15378  -18.68888 1.000 68.85666  ?  23  LEU B CD2 1 
ATOM   740  N N   . GLN B 1 35 ? 7.92463  29.15174  -23.66557 1.000 87.02876  ?  33  GLN B N   1 
ATOM   741  C CA  . GLN B 1 35 ? 8.65111  29.80226  -22.58034 1.000 99.18889  ?  33  GLN B CA  1 
ATOM   742  C C   . GLN B 1 35 ? 7.75036  30.03195  -21.36826 1.000 92.86124  ?  33  GLN B C   1 
ATOM   743  O O   . GLN B 1 35 ? 8.16885  29.84731  -20.22430 1.000 85.15325  ?  33  GLN B O   1 
ATOM   744  C CB  . GLN B 1 35 ? 9.24078  31.13113  -23.05582 1.000 107.65409 ?  33  GLN B CB  1 
ATOM   745  C CG  . GLN B 1 35 ? 10.09507 31.83159  -22.01545 1.000 114.22390 ?  33  GLN B CG  1 
ATOM   746  C CD  . GLN B 1 35 ? 11.35576 31.05853  -21.68258 1.000 114.72507 ?  33  GLN B CD  1 
ATOM   747  O OE1 . GLN B 1 35 ? 11.99421 30.48031  -22.56240 1.000 111.42787 ?  33  GLN B OE1 1 
ATOM   748  N NE2 . GLN B 1 35 ? 11.71816 31.03981  -20.40533 1.000 116.02811 ?  33  GLN B NE2 1 
ATOM   749  N N   . LEU B 1 36 ? 6.50817  30.44104  -21.63765 1.000 83.75848  ?  34  LEU B N   1 
ATOM   750  C CA  . LEU B 1 36 ? 5.54571  30.67404  -20.56510 1.000 80.62177  ?  34  LEU B CA  1 
ATOM   751  C C   . LEU B 1 36 ? 5.22768  29.38426  -19.81763 1.000 83.73321  ?  34  LEU B C   1 
ATOM   752  O O   . LEU B 1 36 ? 5.02555  29.39780  -18.59707 1.000 77.56561  ?  34  LEU B O   1 
ATOM   753  C CB  . LEU B 1 36 ? 4.27359  31.29781  -21.14431 1.000 80.21005  ?  34  LEU B CB  1 
ATOM   754  C CG  . LEU B 1 36 ? 3.09754  31.60931  -20.21581 1.000 81.83598  ?  34  LEU B CG  1 
ATOM   755  C CD1 . LEU B 1 36 ? 2.40658  32.89007  -20.65980 1.000 77.36814  ?  34  LEU B CD1 1 
ATOM   756  C CD2 . LEU B 1 36 ? 2.10586  30.45639  -20.19389 1.000 77.72463  ?  34  LEU B CD2 1 
ATOM   757  N N   . LEU B 1 37 ? 5.17807  28.25929  -20.53485 1.000 90.92973  ?  35  LEU B N   1 
ATOM   758  C CA  . LEU B 1 37 ? 4.86518  26.98435  -19.89697 1.000 89.55338  ?  35  LEU B CA  1 
ATOM   759  C C   . LEU B 1 37 ? 5.93934  26.58829  -18.89168 1.000 83.75001  ?  35  LEU B C   1 
ATOM   760  O O   . LEU B 1 37 ? 5.62799  26.08060  -17.80765 1.000 79.88877  ?  35  LEU B O   1 
ATOM   761  C CB  . LEU B 1 37 ? 4.69532  25.89789  -20.95843 1.000 85.02628  ?  35  LEU B CB  1 
ATOM   762  C CG  . LEU B 1 37 ? 3.55443  26.10940  -21.95461 1.000 85.77854  ?  35  LEU B CG  1 
ATOM   763  C CD1 . LEU B 1 37 ? 3.56652  25.02296  -23.01614 1.000 89.14656  ?  35  LEU B CD1 1 
ATOM   764  C CD2 . LEU B 1 37 ? 2.21309  26.14691  -21.23605 1.000 87.71027  ?  35  LEU B CD2 1 
ATOM   765  N N   . SER B 1 38 ? 7.21088  26.81312  -19.23289 1.000 83.27585  ?  36  SER B N   1 
ATOM   766  C CA  . SER B 1 38 ? 8.29249  26.47798  -18.31204 1.000 83.27062  ?  36  SER B CA  1 
ATOM   767  C C   . SER B 1 38 ? 8.23071  27.33461  -17.05410 1.000 80.02790  ?  36  SER B C   1 
ATOM   768  O O   . SER B 1 38 ? 8.55525  26.86501  -15.95701 1.000 78.98897  ?  36  SER B O   1 
ATOM   769  C CB  . SER B 1 38 ? 9.64388  26.64129  -19.00715 1.000 93.78229  ?  36  SER B CB  1 
ATOM   770  O OG  . SER B 1 38 ? 10.71044 26.33041  -18.12709 1.000 106.90675 ?  36  SER B OG  1 
ATOM   771  N N   . GLY B 1 39 ? 7.81677  28.59579  -17.19305 1.000 83.41435  ?  37  GLY B N   1 
ATOM   772  C CA  . GLY B 1 39 ? 7.67874  29.45257  -16.02934 1.000 75.70513  ?  37  GLY B CA  1 
ATOM   773  C C   . GLY B 1 39 ? 6.54364  29.03854  -15.11619 1.000 73.24565  ?  37  GLY B C   1 
ATOM   774  O O   . GLY B 1 39 ? 6.60631  29.26184  -13.90368 1.000 72.42933  ?  37  GLY B O   1 
ATOM   775  N N   . ILE B 1 40 ? 5.49351  28.43691  -15.67627 1.000 73.70669  ?  38  ILE B N   1 
ATOM   776  C CA  . ILE B 1 40 ? 4.38656  27.96373  -14.85237 1.000 85.05379  ?  38  ILE B CA  1 
ATOM   777  C C   . ILE B 1 40 ? 4.76456  26.67580  -14.13183 1.000 79.95598  ?  38  ILE B C   1 
ATOM   778  O O   . ILE B 1 40 ? 4.48450  26.51554  -12.93827 1.000 70.20780  ?  38  ILE B O   1 
ATOM   779  C CB  . ILE B 1 40 ? 3.11976  27.79148  -15.71066 1.000 72.65491  ?  38  ILE B CB  1 
ATOM   780  C CG1 . ILE B 1 40 ? 2.61175  29.15714  -16.17961 1.000 72.00797  ?  38  ILE B CG1 1 
ATOM   781  C CG2 . ILE B 1 40 ? 2.04027  27.04950  -14.93559 1.000 71.56765  ?  38  ILE B CG2 1 
ATOM   782  C CD1 . ILE B 1 40 ? 1.25290  29.11503  -16.84244 1.000 72.60702  ?  38  ILE B CD1 1 
ATOM   783  N N   . VAL B 1 41 ? 5.41115  25.74441  -14.83761 1.000 74.92608  ?  39  VAL B N   1 
ATOM   784  C CA  . VAL B 1 41 ? 5.87704  24.51538  -14.19999 1.000 75.75352  ?  39  VAL B CA  1 
ATOM   785  C C   . VAL B 1 41 ? 6.88961  24.83515  -13.10641 1.000 84.60587  ?  39  VAL B C   1 
ATOM   786  O O   . VAL B 1 41 ? 6.89708  24.20532  -12.04084 1.000 77.47697  ?  39  VAL B O   1 
ATOM   787  C CB  . VAL B 1 41 ? 6.45952  23.55658  -15.25551 1.000 79.40634  ?  39  VAL B CB  1 
ATOM   788  C CG1 . VAL B 1 41 ? 6.99894  22.30048  -14.59682 1.000 80.66284  ?  39  VAL B CG1 1 
ATOM   789  C CG2 . VAL B 1 41 ? 5.40316  23.20331  -16.29077 1.000 80.72408  ?  39  VAL B CG2 1 
ATOM   790  N N   . GLN B 1 42 ? 7.75408  25.82452  -13.34938 1.000 78.28491  ?  40  GLN B N   1 
ATOM   791  C CA  . GLN B 1 42 ? 8.69523  26.26304  -12.32314 1.000 77.23292  ?  40  GLN B CA  1 
ATOM   792  C C   . GLN B 1 42 ? 7.96648  26.87225  -11.13224 1.000 85.15816  ?  40  GLN B C   1 
ATOM   793  O O   . GLN B 1 42 ? 8.30793  26.59378  -9.97633  1.000 72.62632  ?  40  GLN B O   1 
ATOM   794  C CB  . GLN B 1 42 ? 9.68469  27.26495  -12.92146 1.000 78.51844  ?  40  GLN B CB  1 
ATOM   795  C CG  . GLN B 1 42 ? 10.45100 28.10182  -11.90537 1.000 83.20808  ?  40  GLN B CG  1 
ATOM   796  C CD  . GLN B 1 42 ? 11.83114 27.55337  -11.59929 1.000 93.53260  ?  40  GLN B CD  1 
ATOM   797  O OE1 . GLN B 1 42 ? 12.00689 26.35014  -11.41534 1.000 95.77300  ?  40  GLN B OE1 1 
ATOM   798  N NE2 . GLN B 1 42 ? 12.82206 28.43913  -11.54692 1.000 100.59653 ?  40  GLN B NE2 1 
ATOM   799  N N   . GLN B 1 43 ? 6.95445  27.70451  -11.39579 1.000 86.58742  ?  41  GLN B N   1 
ATOM   800  C CA  . GLN B 1 43 ? 6.20670  28.33507  -10.31260 1.000 65.74149  ?  41  GLN B CA  1 
ATOM   801  C C   . GLN B 1 43 ? 5.44146  27.31096  -9.48584  1.000 64.71857  ?  41  GLN B C   1 
ATOM   802  O O   . GLN B 1 43 ? 5.27151  27.49312  -8.27443  1.000 75.12995  ?  41  GLN B O   1 
ATOM   803  C CB  . GLN B 1 43 ? 5.25189  29.38853  -10.87953 1.000 65.00066  ?  41  GLN B CB  1 
ATOM   804  C CG  . GLN B 1 43 ? 4.31860  30.03176  -9.85712  1.000 67.15464  ?  41  GLN B CG  1 
ATOM   805  C CD  . GLN B 1 43 ? 5.02438  30.98757  -8.91089  1.000 60.88586  ?  41  GLN B CD  1 
ATOM   806  O OE1 . GLN B 1 43 ? 6.24701  31.12084  -8.93375  1.000 61.83977  ?  41  GLN B OE1 1 
ATOM   807  N NE2 . GLN B 1 43 ? 4.24808  31.66382  -8.07269  1.000 71.38957  ?  41  GLN B NE2 1 
ATOM   808  N N   . GLN B 1 44 ? 4.97290  26.23129  -10.11422 1.000 66.38967  ?  42  GLN B N   1 
ATOM   809  C CA  . GLN B 1 44 ? 4.32242  25.17578  -9.34823  1.000 78.09001  ?  42  GLN B CA  1 
ATOM   810  C C   . GLN B 1 44 ? 5.30413  24.48180  -8.41629  1.000 66.03530  ?  42  GLN B C   1 
ATOM   811  O O   . GLN B 1 44 ? 4.91927  24.04957  -7.32454  1.000 64.64953  ?  42  GLN B O   1 
ATOM   812  C CB  . GLN B 1 44 ? 3.66790  24.16586  -10.28763 1.000 68.20090  ?  42  GLN B CB  1 
ATOM   813  C CG  . GLN B 1 44 ? 2.52049  24.74725  -11.08406 1.000 68.14007  ?  42  GLN B CG  1 
ATOM   814  C CD  . GLN B 1 44 ? 1.57124  23.68996  -11.59360 1.000 75.34764  ?  42  GLN B CD  1 
ATOM   815  O OE1 . GLN B 1 44 ? 1.94071  22.84522  -12.40830 1.000 72.53458  ?  42  GLN B OE1 1 
ATOM   816  N NE2 . GLN B 1 44 ? 0.33736  23.72474  -11.10810 1.000 88.54169  ?  42  GLN B NE2 1 
ATOM   817  N N   . ASN B 1 45 ? 6.57077  24.37199  -8.82240  1.000 67.88434  ?  43  ASN B N   1 
ATOM   818  C CA  . ASN B 1 45 ? 7.58097  23.81506  -7.93139  1.000 74.63628  ?  43  ASN B CA  1 
ATOM   819  C C   . ASN B 1 45 ? 7.87261  24.75413  -6.76713  1.000 65.63193  ?  43  ASN B C   1 
ATOM   820  O O   . ASN B 1 45 ? 8.25852  24.29719  -5.68487  1.000 65.01309  ?  43  ASN B O   1 
ATOM   821  C CB  . ASN B 1 45 ? 8.86090  23.51552  -8.71112  1.000 71.34776  ?  43  ASN B CB  1 
ATOM   822  C CG  . ASN B 1 45 ? 9.76177  22.53033  -7.99433  1.000 72.78271  ?  43  ASN B CG  1 
ATOM   823  O OD1 . ASN B 1 45 ? 9.29096  21.56011  -7.40081  1.000 72.67918  ?  43  ASN B OD1 1 
ATOM   824  N ND2 . ASN B 1 45 ? 11.06520 22.77830  -8.03982  1.000 81.60477  ?  43  ASN B ND2 1 
ATOM   825  N N   . ASN B 1 46 ? 7.69392  26.06265  -6.96778  1.000 65.85565  ?  44  ASN B N   1 
ATOM   826  C CA  . ASN B 1 46 ? 7.86472  27.01408  -5.87385  1.000 61.91315  ?  44  ASN B CA  1 
ATOM   827  C C   . ASN B 1 46 ? 6.71254  26.91724  -4.88142  1.000 66.03357  ?  44  ASN B C   1 
ATOM   828  O O   . ASN B 1 46 ? 6.93095  26.82505  -3.66772  1.000 58.03582  ?  44  ASN B O   1 
ATOM   829  C CB  . ASN B 1 46 ? 7.97979  28.43669  -6.42395  1.000 61.61682  ?  44  ASN B CB  1 
ATOM   830  C CG  . ASN B 1 46 ? 9.26235  28.66304  -7.19906  1.000 77.13351  ?  44  ASN B CG  1 
ATOM   831  O OD1 . ASN B 1 46 ? 10.32187 28.15511  -6.83217  1.000 65.51392  ?  44  ASN B OD1 1 
ATOM   832  N ND2 . ASN B 1 46 ? 9.17265  29.43215  -8.27843  1.000 77.55078  ?  44  ASN B ND2 1 
ATOM   833  N N   . LEU B 1 47 ? 5.47402  26.94278  -5.38239  1.000 65.62889  ?  45  LEU B N   1 
ATOM   834  C CA  . LEU B 1 47 ? 4.31547  26.80677  -4.50525  1.000 57.20124  ?  45  LEU B CA  1 
ATOM   835  C C   . LEU B 1 47 ? 4.30682  25.45769  -3.80098  1.000 65.69699  ?  45  LEU B C   1 
ATOM   836  O O   . LEU B 1 47 ? 3.84840  25.35535  -2.65667  1.000 55.90850  ?  45  LEU B O   1 
ATOM   837  C CB  . LEU B 1 47 ? 3.02741  26.99718  -5.30675  1.000 57.46663  ?  45  LEU B CB  1 
ATOM   838  C CG  . LEU B 1 47 ? 2.91143  28.29068  -6.11500  1.000 57.43630  ?  45  LEU B CG  1 
ATOM   839  C CD1 . LEU B 1 47 ? 1.54815  28.38268  -6.78204  1.000 57.83894  ?  45  LEU B CD1 1 
ATOM   840  C CD2 . LEU B 1 47 ? 3.16534  29.50085  -5.23067  1.000 55.47297  ?  45  LEU B CD2 1 
ATOM   841  N N   . LEU B 1 48 ? 4.80572  24.41670  -4.46915  1.000 63.37704  ?  46  LEU B N   1 
ATOM   842  C CA  . LEU B 1 48 ? 4.93332  23.10485  -3.84689  1.000 60.88480  ?  46  LEU B CA  1 
ATOM   843  C C   . LEU B 1 48 ? 5.85824  23.16239  -2.63683  1.000 59.81836  ?  46  LEU B C   1 
ATOM   844  O O   . LEU B 1 48 ? 5.45553  22.85243  -1.51043  1.000 58.40620  ?  46  LEU B O   1 
ATOM   845  C CB  . LEU B 1 48 ? 5.45994  22.10035  -4.87054  1.000 64.11555  ?  46  LEU B CB  1 
ATOM   846  C CG  . LEU B 1 48 ? 5.51680  20.65200  -4.39246  1.000 65.69436  ?  46  LEU B CG  1 
ATOM   847  C CD1 . LEU B 1 48 ? 4.35940  19.85435  -4.98624  1.000 67.56877  ?  46  LEU B CD1 1 
ATOM   848  C CD2 . LEU B 1 48 ? 6.85510  20.01598  -4.72849  1.000 72.55904  ?  46  LEU B CD2 1 
ATOM   849  N N   . ARG B 1 49 ? 7.11317  23.56308  -2.86228  1.000 60.70453  ?  47  ARG B N   1 
ATOM   850  C CA  . ARG B 1 49 ? 8.09715  23.59609  -1.78541  1.000 64.45591  ?  47  ARG B CA  1 
ATOM   851  C C   . ARG B 1 49 ? 7.68528  24.55038  -0.67461  1.000 68.93487  ?  47  ARG B C   1 
ATOM   852  O O   . ARG B 1 49 ? 8.05968  24.34979  0.48626   1.000 56.22005  ?  47  ARG B O   1 
ATOM   853  C CB  . ARG B 1 49 ? 9.46511  23.98806  -2.34363  1.000 62.06977  ?  47  ARG B CB  1 
ATOM   854  N N   . ALA B 1 50 ? 6.92175  25.59245  -1.00587  1.000 69.77335  ?  48  ALA B N   1 
ATOM   855  C CA  . ALA B 1 50 ? 6.42013  26.48692  0.03005   1.000 53.02457  ?  48  ALA B CA  1 
ATOM   856  C C   . ALA B 1 50 ? 5.37431  25.79254  0.89282   1.000 54.91715  ?  48  ALA B C   1 
ATOM   857  O O   . ALA B 1 50 ? 5.33009  25.99958  2.11126   1.000 79.42388  ?  48  ALA B O   1 
ATOM   858  C CB  . ALA B 1 50 ? 5.84704  27.75401  -0.60145  1.000 52.27516  ?  48  ALA B CB  1 
ATOM   859  N N   . ILE B 1 51 ? 4.52468  24.96462  0.27949   1.000 60.78501  ?  49  ILE B N   1 
ATOM   860  C CA  . ILE B 1 51 ? 3.55504  24.19150  1.04980   1.000 55.67667  ?  49  ILE B CA  1 
ATOM   861  C C   . ILE B 1 51 ? 4.26910  23.18040  1.93858   1.000 52.84122  ?  49  ILE B C   1 
ATOM   862  O O   . ILE B 1 51 ? 3.90120  22.98497  3.10339   1.000 62.68021  ?  49  ILE B O   1 
ATOM   863  C CB  . ILE B 1 51 ? 2.54330  23.51273  0.10532   1.000 53.95384  ?  49  ILE B CB  1 
ATOM   864  C CG1 . ILE B 1 51 ? 1.59161  24.55044  -0.49415  1.000 53.22291  ?  49  ILE B CG1 1 
ATOM   865  C CG2 . ILE B 1 51 ? 1.75520  22.43184  0.83047   1.000 54.25961  ?  49  ILE B CG2 1 
ATOM   866  C CD1 . ILE B 1 51 ? 0.60600  23.97641  -1.49573  1.000 56.62030  ?  49  ILE B CD1 1 
ATOM   867  N N   . GLU B 1 52 ? 5.31181  22.53653  1.41177   1.000 54.96012  ?  50  GLU B N   1 
ATOM   868  C CA  . GLU B 1 52 ? 6.04653  21.54907  2.19509   1.000 55.89682  ?  50  GLU B CA  1 
ATOM   869  C C   . GLU B 1 52 ? 6.81133  22.20640  3.33949   1.000 66.62737  ?  50  GLU B C   1 
ATOM   870  O O   . GLU B 1 52 ? 6.93481  21.62656  4.42525   1.000 53.79900  ?  50  GLU B O   1 
ATOM   871  C CB  . GLU B 1 52 ? 6.99807  20.77073  1.28781   1.000 59.00815  ?  50  GLU B CB  1 
ATOM   872  C CG  . GLU B 1 52 ? 6.33838  20.18367  0.05587   1.000 60.97275  ?  50  GLU B CG  1 
ATOM   873  C CD  . GLU B 1 52 ? 7.31735  19.45138  -0.83973  1.000 71.48044  ?  50  GLU B CD  1 
ATOM   874  O OE1 . GLU B 1 52 ? 6.93819  18.42481  -1.44751  1.000 66.57848  ?  50  GLU B OE1 1 
ATOM   875  O OE2 . GLU B 1 52 ? 8.47588  19.90605  -0.92640  1.000 68.41663  -1 50  GLU B OE2 1 
ATOM   876  N N   . ALA B 1 53 ? 7.33159  23.41726  3.11798   1.000 69.65633  ?  51  ALA B N   1 
ATOM   877  C CA  . ALA B 1 53 ? 8.00268  24.13760  4.19713   1.000 51.82610  ?  51  ALA B CA  1 
ATOM   878  C C   . ALA B 1 53 ? 7.01192  24.56459  5.27232   1.000 55.34262  ?  51  ALA B C   1 
ATOM   879  O O   . ALA B 1 53 ? 7.33532  24.54810  6.46629   1.000 50.09108  ?  51  ALA B O   1 
ATOM   880  C CB  . ALA B 1 53 ? 8.74731  25.35250  3.64368   1.000 52.15380  ?  51  ALA B CB  1 
ATOM   881  N N   . GLN B 1 54 ? 5.80131  24.95619  4.86831   1.000 59.84422  ?  52  GLN B N   1 
ATOM   882  C CA  . GLN B 1 54 ? 4.76842  25.27755  5.84675   1.000 54.17976  ?  52  GLN B CA  1 
ATOM   883  C C   . GLN B 1 54 ? 4.30484  24.03062  6.58763   1.000 54.67035  ?  52  GLN B C   1 
ATOM   884  O O   . GLN B 1 54 ? 4.04526  24.08161  7.79470   1.000 56.38326  ?  52  GLN B O   1 
ATOM   885  C CB  . GLN B 1 54 ? 3.58678  25.96506  5.16499   1.000 45.74315  ?  52  GLN B CB  1 
ATOM   886  C CG  . GLN B 1 54 ? 3.85893  27.39947  4.75990   1.000 57.68872  ?  52  GLN B CG  1 
ATOM   887  C CD  . GLN B 1 54 ? 2.62098  28.09732  4.23874   1.000 67.63636  ?  52  GLN B CD  1 
ATOM   888  O OE1 . GLN B 1 54 ? 1.60776  27.45887  3.95414   1.000 71.55820  ?  52  GLN B OE1 1 
ATOM   889  N NE2 . GLN B 1 54 ? 2.69394  29.41655  4.11562   1.000 56.15291  ?  52  GLN B NE2 1 
ATOM   890  N N   . GLN B 1 55 ? 4.19657  22.90121  5.88360   1.000 62.36566  ?  53  GLN B N   1 
ATOM   891  C CA  . GLN B 1 55 ? 3.80144  21.66062  6.54147   1.000 57.60236  ?  53  GLN B CA  1 
ATOM   892  C C   . GLN B 1 55 ? 4.82034  21.23323  7.58870   1.000 55.41282  ?  53  GLN B C   1 
ATOM   893  O O   . GLN B 1 55 ? 4.44644  20.66305  8.61872   1.000 54.41062  ?  53  GLN B O   1 
ATOM   894  C CB  . GLN B 1 55 ? 3.59900  20.55615  5.50208   1.000 53.26823  ?  53  GLN B CB  1 
ATOM   895  C CG  . GLN B 1 55 ? 3.21943  19.20022  6.08308   1.000 65.64191  ?  53  GLN B CG  1 
ATOM   896  C CD  . GLN B 1 55 ? 2.01629  19.26891  7.00717   1.000 82.13427  ?  53  GLN B CD  1 
ATOM   897  O OE1 . GLN B 1 55 ? 1.08681  20.04432  6.78364   1.000 83.04853  ?  53  GLN B OE1 1 
ATOM   898  N NE2 . GLN B 1 55 ? 2.03284  18.45707  8.05749   1.000 64.88007  ?  53  GLN B NE2 1 
ATOM   899  N N   . HIS B 1 56 ? 6.10526  21.50709  7.35313   1.000 51.67791  ?  54  HIS B N   1 
ATOM   900  C CA  . HIS B 1 56 ? 7.11879  21.19803  8.35602   1.000 52.56239  ?  54  HIS B CA  1 
ATOM   901  C C   . HIS B 1 56 ? 6.97029  22.09294  9.58118   1.000 60.03108  ?  54  HIS B C   1 
ATOM   902  O O   . HIS B 1 56 ? 7.08430  21.62113  10.71838  1.000 48.60025  ?  54  HIS B O   1 
ATOM   903  C CB  . HIS B 1 56 ? 8.51586  21.33633  7.74831   1.000 58.28510  ?  54  HIS B CB  1 
ATOM   904  C CG  . HIS B 1 56 ? 9.62747  21.04798  8.70879   1.000 75.20637  ?  54  HIS B CG  1 
ATOM   905  N ND1 . HIS B 1 56 ? 10.22802 22.02971  9.46836   1.000 61.28552  ?  54  HIS B ND1 1 
ATOM   906  C CD2 . HIS B 1 56 ? 10.25280 19.89048  9.02956   1.000 60.53231  ?  54  HIS B CD2 1 
ATOM   907  C CE1 . HIS B 1 56 ? 11.17154 21.48892  10.21716  1.000 60.38439  ?  54  HIS B CE1 1 
ATOM   908  N NE2 . HIS B 1 56 ? 11.20777 20.19153  9.96969   1.000 68.82809  ?  54  HIS B NE2 1 
ATOM   909  N N   . LEU B 1 57 ? 6.71078  23.38675  9.37117   1.000 60.45187  ?  55  LEU B N   1 
ATOM   910  C CA  . LEU B 1 57 ? 6.53137  24.29405  10.50115  1.000 52.57853  ?  55  LEU B CA  1 
ATOM   911  C C   . LEU B 1 57 ? 5.18450  24.07233  11.18065  1.000 61.07931  ?  55  LEU B C   1 
ATOM   912  O O   . LEU B 1 57 ? 5.08067  24.17009  12.40924  1.000 50.83229  ?  55  LEU B O   1 
ATOM   913  C CB  . LEU B 1 57 ? 6.67493  25.74588  10.04090  1.000 42.67635  ?  55  LEU B CB  1 
ATOM   914  C CG  . LEU B 1 57 ? 6.53356  26.82759  11.11623  1.000 40.61709  ?  55  LEU B CG  1 
ATOM   915  C CD1 . LEU B 1 57 ? 7.46753  26.55811  12.28775  1.000 40.47334  ?  55  LEU B CD1 1 
ATOM   916  C CD2 . LEU B 1 57 ? 6.79537  28.20774  10.53054  1.000 40.37478  ?  55  LEU B CD2 1 
ATOM   917  N N   . LEU B 1 58 ? 4.14069  23.77807  10.40001  1.000 56.39701  ?  56  LEU B N   1 
ATOM   918  C CA  . LEU B 1 58 ? 2.84698  23.45048  10.99220  1.000 46.44567  ?  56  LEU B CA  1 
ATOM   919  C C   . LEU B 1 58 ? 2.93324  22.17054  11.81335  1.000 59.24325  ?  56  LEU B C   1 
ATOM   920  O O   . LEU B 1 58 ? 2.27505  22.04214  12.85246  1.000 42.15551  ?  56  LEU B O   1 
ATOM   921  C CB  . LEU B 1 58 ? 1.78677  23.31747  9.89773   1.000 43.24515  ?  56  LEU B CB  1 
ATOM   922  C CG  . LEU B 1 58 ? 0.34795  23.01663  10.32508  1.000 43.18542  ?  56  LEU B CG  1 
ATOM   923  C CD1 . LEU B 1 58 ? -0.23094 24.17040  11.12935  1.000 52.81712  ?  56  LEU B CD1 1 
ATOM   924  C CD2 . LEU B 1 58 ? -0.51881 22.71680  9.11124   1.000 44.81928  ?  56  LEU B CD2 1 
ATOM   925  N N   . GLN B 1 59 ? 3.74790  21.21362  11.36215  1.000 50.24696  ?  57  GLN B N   1 
ATOM   926  C CA  . GLN B 1 59 ? 3.92621  19.97063  12.10363  1.000 46.18914  ?  57  GLN B CA  1 
ATOM   927  C C   . GLN B 1 59 ? 4.59674  20.21191  13.44973  1.000 50.70780  ?  57  GLN B C   1 
ATOM   928  O O   . GLN B 1 59 ? 4.28071  19.53109  14.43234  1.000 44.87170  ?  57  GLN B O   1 
ATOM   929  C CB  . GLN B 1 59 ? 4.74464  18.98688  11.26767  1.000 51.51578  ?  57  GLN B CB  1 
ATOM   930  C CG  . GLN B 1 59 ? 4.97820  17.64230  11.92030  1.000 67.52588  ?  57  GLN B CG  1 
ATOM   931  C CD  . GLN B 1 59 ? 4.06869  16.55796  11.38026  1.000 91.44046  ?  57  GLN B CD  1 
ATOM   932  O OE1 . GLN B 1 59 ? 3.00398  16.83931  10.83071  1.000 99.17825  ?  57  GLN B OE1 1 
ATOM   933  N NE2 . GLN B 1 59 ? 4.48970  15.30682  11.52831  1.000 70.17178  ?  57  GLN B NE2 1 
ATOM   934  N N   . LEU B 1 60 ? 5.51876  21.17521  13.51665  1.000 47.30250  ?  58  LEU B N   1 
ATOM   935  C CA  . LEU B 1 60 ? 6.20190  21.45913  14.77449  1.000 50.99649  ?  58  LEU B CA  1 
ATOM   936  C C   . LEU B 1 60 ? 5.27152  22.13343  15.77446  1.000 50.78366  ?  58  LEU B C   1 
ATOM   937  O O   . LEU B 1 60 ? 5.37591  21.89543  16.98348  1.000 46.44123  ?  58  LEU B O   1 
ATOM   938  C CB  . LEU B 1 60 ? 7.43347  22.32692  14.51960  1.000 48.14901  ?  58  LEU B CB  1 
ATOM   939  C CG  . LEU B 1 60 ? 8.67076  21.60170  13.99136  1.000 56.21553  ?  58  LEU B CG  1 
ATOM   940  C CD1 . LEU B 1 60 ? 9.75600  22.59822  13.61993  1.000 58.23043  ?  58  LEU B CD1 1 
ATOM   941  C CD2 . LEU B 1 60 ? 9.18148  20.61220  15.02651  1.000 69.24120  ?  58  LEU B CD2 1 
ATOM   942  N N   . THR B 1 61 ? 4.35949  22.98257  15.29418  1.000 39.46948  ?  59  THR B N   1 
ATOM   943  C CA  . THR B 1 61 ? 3.43227  23.64465  16.20536  1.000 46.83257  ?  59  THR B CA  1 
ATOM   944  C C   . THR B 1 61 ? 2.45097  22.65699  16.82284  1.000 44.26894  ?  59  THR B C   1 
ATOM   945  O O   . THR B 1 61 ? 2.01408  22.85312  17.96216  1.000 37.01893  ?  59  THR B O   1 
ATOM   946  C CB  . THR B 1 61 ? 2.67828  24.76275  15.48355  1.000 36.95002  ?  59  THR B CB  1 
ATOM   947  O OG1 . THR B 1 61 ? 2.04671  24.24090  14.30825  1.000 53.87107  ?  59  THR B OG1 1 
ATOM   948  C CG2 . THR B 1 61 ? 3.63237  25.88216  15.09177  1.000 36.46435  ?  59  THR B CG2 1 
ATOM   949  N N   . VAL B 1 62 ? 2.09894  21.59284  16.09785  1.000 46.96245  ?  60  VAL B N   1 
ATOM   950  C CA  . VAL B 1 62 ? 1.21562  20.57535  16.66152  1.000 42.46519  ?  60  VAL B CA  1 
ATOM   951  C C   . VAL B 1 62 ? 1.89231  19.87702  17.83561  1.000 41.01652  ?  60  VAL B C   1 
ATOM   952  O O   . VAL B 1 62 ? 1.24797  19.55253  18.84061  1.000 47.47688  ?  60  VAL B O   1 
ATOM   953  C CB  . VAL B 1 62 ? 0.78471  19.57696  15.56951  1.000 43.26769  ?  60  VAL B CB  1 
ATOM   954  C CG1 . VAL B 1 62 ? -0.12084 18.49972  16.15110  1.000 52.27360  ?  60  VAL B CG1 1 
ATOM   955  C CG2 . VAL B 1 62 ? 0.08175  20.30645  14.43363  1.000 43.19826  ?  60  VAL B CG2 1 
ATOM   956  N N   . TRP B 1 63 ? 3.20429  19.65154  17.73801  1.000 48.21971  ?  61  TRP B N   1 
ATOM   957  C CA  . TRP B 1 63 ? 3.93478  19.02421  18.83426  1.000 52.93151  ?  61  TRP B CA  1 
ATOM   958  C C   . TRP B 1 63 ? 4.15022  19.98900  19.99158  1.000 39.67760  ?  61  TRP B C   1 
ATOM   959  O O   . TRP B 1 63 ? 4.11360  19.58035  21.15737  1.000 42.30227  ?  61  TRP B O   1 
ATOM   960  C CB  . TRP B 1 63 ? 5.27287  18.48825  18.33136  1.000 43.70656  ?  61  TRP B CB  1 
ATOM   961  C CG  . TRP B 1 63 ? 5.11894  17.39087  17.34135  1.000 68.67860  ?  61  TRP B CG  1 
ATOM   962  C CD1 . TRP B 1 63 ? 4.12664  16.45560  17.30299  1.000 72.48635  ?  61  TRP B CD1 1 
ATOM   963  C CD2 . TRP B 1 63 ? 5.97015  17.12029  16.22571  1.000 92.58541  ?  61  TRP B CD2 1 
ATOM   964  N NE1 . TRP B 1 63 ? 4.31411  15.61085  16.23734  1.000 82.77343  ?  61  TRP B NE1 1 
ATOM   965  C CE2 . TRP B 1 63 ? 5.43913  15.99915  15.55867  1.000 81.50498  ?  61  TRP B CE2 1 
ATOM   966  C CE3 . TRP B 1 63 ? 7.13289  17.71456  15.72721  1.000 66.05690  ?  61  TRP B CE3 1 
ATOM   967  C CZ2 . TRP B 1 63 ? 6.03217  15.45934  14.42295  1.000 87.97150  ?  61  TRP B CZ2 1 
ATOM   968  C CZ3 . TRP B 1 63 ? 7.71807  17.17841  14.59951  1.000 67.99325  ?  61  TRP B CZ3 1 
ATOM   969  C CH2 . TRP B 1 63 ? 7.16735  16.06363  13.95929  1.000 83.25588  ?  61  TRP B CH2 1 
ATOM   970  N N   . GLY B 1 64 ? 4.38087  21.26857  19.69119  1.000 45.40249  ?  62  GLY B N   1 
ATOM   971  C CA  . GLY B 1 64 ? 4.52876  22.24849  20.75402  1.000 36.28481  ?  62  GLY B CA  1 
ATOM   972  C C   . GLY B 1 64 ? 3.25426  22.42989  21.55505  1.000 50.13034  ?  62  GLY B C   1 
ATOM   973  O O   . GLY B 1 64 ? 3.29531  22.65164  22.76747  1.000 45.38468  ?  62  GLY B O   1 
ATOM   974  N N   . ILE B 1 65 ? 2.10209  22.33514  20.88737  1.000 40.55784  ?  63  ILE B N   1 
ATOM   975  C CA  . ILE B 1 65 ? 0.82189  22.38459  21.58592  1.000 39.85684  ?  63  ILE B CA  1 
ATOM   976  C C   . ILE B 1 65 ? 0.63299  21.13633  22.44018  1.000 40.84104  ?  63  ILE B C   1 
ATOM   977  O O   . ILE B 1 65 ? 0.12866  21.20832  23.56719  1.000 35.60061  ?  63  ILE B O   1 
ATOM   978  C CB  . ILE B 1 65 ? -0.32438 22.56609  20.57270  1.000 35.85629  ?  63  ILE B CB  1 
ATOM   979  C CG1 . ILE B 1 65 ? -0.25055 23.95448  19.93304  1.000 34.74356  ?  63  ILE B CG1 1 
ATOM   980  C CG2 . ILE B 1 65 ? -1.68077 22.34195  21.23155  1.000 41.92590  ?  63  ILE B CG2 1 
ATOM   981  C CD1 . ILE B 1 65 ? -1.34153 24.21896  18.92152  1.000 35.50491  ?  63  ILE B CD1 1 
ATOM   982  N N   . LYS B 1 66 ? 1.03813  19.97417  21.91973  1.000 40.72573  ?  64  LYS B N   1 
ATOM   983  C CA  . LYS B 1 66 ? 0.97371  18.74612  22.70677  1.000 39.42290  ?  64  LYS B CA  1 
ATOM   984  C C   . LYS B 1 66 ? 1.90908  18.81480  23.90720  1.000 39.82680  ?  64  LYS B C   1 
ATOM   985  O O   . LYS B 1 66 ? 1.56608  18.34789  25.00033  1.000 38.63830  ?  64  LYS B O   1 
ATOM   986  C CB  . LYS B 1 66 ? 1.31507  17.54182  21.82768  1.000 46.73353  ?  64  LYS B CB  1 
ATOM   987  C CG  . LYS B 1 66 ? 0.11067  16.78497  21.27414  1.000 54.50402  ?  64  LYS B CG  1 
ATOM   988  C CD  . LYS B 1 66 ? -0.80032 17.67657  20.44422  1.000 48.61951  ?  64  LYS B CD  1 
ATOM   989  C CE  . LYS B 1 66 ? -1.77576 16.85139  19.61522  1.000 51.88515  ?  64  LYS B CE  1 
ATOM   990  N NZ  . LYS B 1 66 ? -2.56899 15.90578  20.44814  1.000 62.80783  ?  64  LYS B NZ  1 
ATOM   991  N N   . GLN B 1 67 ? 3.09862  19.39373  23.72081  1.000 54.09632  ?  65  GLN B N   1 
ATOM   992  C CA  . GLN B 1 67 ? 4.02877  19.56866  24.83171  1.000 41.76360  ?  65  GLN B CA  1 
ATOM   993  C C   . GLN B 1 67 ? 3.45022  20.49767  25.89188  1.000 46.24037  ?  65  GLN B C   1 
ATOM   994  O O   . GLN B 1 67 ? 3.58960  20.24508  27.09435  1.000 34.84523  ?  65  GLN B O   1 
ATOM   995  C CB  . GLN B 1 67 ? 5.36186  20.10899  24.31085  1.000 41.53695  ?  65  GLN B CB  1 
ATOM   996  C CG  . GLN B 1 67 ? 6.40424  20.38387  25.38582  1.000 59.91615  ?  65  GLN B CG  1 
ATOM   997  C CD  . GLN B 1 67 ? 7.11009  19.12682  25.85610  1.000 73.31722  ?  65  GLN B CD  1 
ATOM   998  O OE1 . GLN B 1 67 ? 7.05324  18.08591  25.20079  1.000 86.94229  ?  65  GLN B OE1 1 
ATOM   999  N NE2 . GLN B 1 67 ? 7.78310  19.21858  26.99773  1.000 52.00191  ?  65  GLN B NE2 1 
ATOM   1000 N N   . LEU B 1 68 ? 2.79227  21.57783  25.46374  1.000 44.95278  ?  66  LEU B N   1 
ATOM   1001 C CA  . LEU B 1 68 ? 2.18300  22.49976  26.41656  1.000 39.24541  ?  66  LEU B CA  1 
ATOM   1002 C C   . LEU B 1 68 ? 1.01128  21.85319  27.14308  1.000 39.03762  ?  66  LEU B C   1 
ATOM   1003 O O   . LEU B 1 68 ? 0.81118  22.09126  28.33951  1.000 43.04290  ?  66  LEU B O   1 
ATOM   1004 C CB  . LEU B 1 68 ? 1.73231  23.77293  25.70238  1.000 31.33659  ?  66  LEU B CB  1 
ATOM   1005 C CG  . LEU B 1 68 ? 2.84225  24.73323  25.27791  1.000 30.66368  ?  66  LEU B CG  1 
ATOM   1006 C CD1 . LEU B 1 68 ? 2.27876  25.86063  24.43105  1.000 46.32515  ?  66  LEU B CD1 1 
ATOM   1007 C CD2 . LEU B 1 68 ? 3.54998  25.28171  26.50438  1.000 38.45027  ?  66  LEU B CD2 1 
ATOM   1008 N N   . GLN B 1 69 ? 0.22081  21.04055  26.43587  1.000 35.77832  ?  67  GLN B N   1 
ATOM   1009 C CA  . GLN B 1 69 ? -0.88926 20.34903  27.08271  1.000 35.28986  ?  67  GLN B CA  1 
ATOM   1010 C C   . GLN B 1 69 ? -0.40042 19.41227  28.17686  1.000 41.30261  ?  67  GLN B C   1 
ATOM   1011 O O   . GLN B 1 69 ? -1.08669 19.22900  29.18764  1.000 36.02949  ?  67  GLN B O   1 
ATOM   1012 C CB  . GLN B 1 69 ? -1.71249 19.58302  26.04589  1.000 37.22319  ?  67  GLN B CB  1 
ATOM   1013 C CG  . GLN B 1 69 ? -2.86202 20.38943  25.46688  1.000 43.55281  ?  67  GLN B CG  1 
ATOM   1014 C CD  . GLN B 1 69 ? -3.45396 19.76452  24.22088  1.000 55.81465  ?  67  GLN B CD  1 
ATOM   1015 O OE1 . GLN B 1 69 ? -4.25936 20.38461  23.52565  1.000 48.17547  ?  67  GLN B OE1 1 
ATOM   1016 N NE2 . GLN B 1 69 ? -3.05776 18.53184  23.93049  1.000 52.05496  ?  67  GLN B NE2 1 
ATOM   1017 N N   . ALA B 1 70 ? 0.77997  18.81864  27.99896  1.000 36.49961  ?  68  ALA B N   1 
ATOM   1018 C CA  . ALA B 1 70 ? 1.36191  17.99293  29.04816  1.000 44.68763  ?  68  ALA B CA  1 
ATOM   1019 C C   . ALA B 1 70 ? 1.92922  18.83135  30.18535  1.000 35.36458  ?  68  ALA B C   1 
ATOM   1020 O O   . ALA B 1 70 ? 1.91582  18.38898  31.33946  1.000 38.42584  ?  68  ALA B O   1 
ATOM   1021 C CB  . ALA B 1 70 ? 2.45054  17.09268  28.46424  1.000 38.85780  ?  68  ALA B CB  1 
ATOM   1022 N N   . ARG B 1 71 ? 2.41996  20.03741  29.88705  1.000 33.76030  ?  69  ARG B N   1 
ATOM   1023 C CA  . ARG B 1 71 ? 2.99065  20.87869  30.93348  1.000 32.26604  ?  69  ARG B CA  1 
ATOM   1024 C C   . ARG B 1 71 ? 1.89977  21.51252  31.78815  1.000 36.26916  ?  69  ARG B C   1 
ATOM   1025 O O   . ARG B 1 71 ? 2.06951  21.67725  33.00144  1.000 30.63774  ?  69  ARG B O   1 
ATOM   1026 C CB  . ARG B 1 71 ? 3.88957  21.95075  30.31497  1.000 31.32674  ?  69  ARG B CB  1 
ATOM   1027 C CG  . ARG B 1 71 ? 5.16162  21.39786  29.69520  1.000 43.85214  ?  69  ARG B CG  1 
ATOM   1028 C CD  . ARG B 1 71 ? 5.99311  22.50192  29.06170  1.000 44.51001  ?  69  ARG B CD  1 
ATOM   1029 N NE  . ARG B 1 71 ? 6.42315  23.49728  30.03712  1.000 44.19919  ?  69  ARG B NE  1 
ATOM   1030 C CZ  . ARG B 1 71 ? 7.18324  24.54547  29.74991  1.000 30.25484  ?  69  ARG B CZ  1 
ATOM   1031 N NH1 . ARG B 1 71 ? 7.62102  24.76553  28.52115  1.000 49.84987  ?  69  ARG B NH1 1 
ATOM   1032 N NH2 . ARG B 1 71 ? 7.51123  25.39526  30.71923  1.000 33.56136  ?  69  ARG B NH2 1 
ATOM   1033 N N   . ILE B 1 72 ? 0.77225  21.87718  31.17583  1.000 31.22356  ?  70  ILE B N   1 
ATOM   1034 C CA  . ILE B 1 72 ? -0.32221 22.45418  31.94906  1.000 30.71250  ?  70  ILE B CA  1 
ATOM   1035 C C   . ILE B 1 72 ? -1.07074 21.37099  32.72011  1.000 32.04094  ?  70  ILE B C   1 
ATOM   1036 O O   . ILE B 1 72 ? -1.56140 21.62067  33.82683  1.000 41.16402  ?  70  ILE B O   1 
ATOM   1037 C CB  . ILE B 1 72 ? -1.26503 23.25967  31.03454  1.000 30.61543  ?  70  ILE B CB  1 
ATOM   1038 C CG1 . ILE B 1 72 ? -2.33918 23.97262  31.85908  1.000 30.37030  ?  70  ILE B CG1 1 
ATOM   1039 C CG2 . ILE B 1 72 ? -1.90653 22.36111  29.98760  1.000 43.34689  ?  70  ILE B CG2 1 
ATOM   1040 C CD1 . ILE B 1 72 ? -1.78132 24.94041  32.87656  1.000 36.73601  ?  70  ILE B CD1 1 
ATOM   1041 N N   . LEU B 1 73 ? -1.15893 20.15718  32.16968  1.000 43.96769  ?  71  LEU B N   1 
ATOM   1042 C CA  . LEU B 1 73 ? -1.82642 19.07401  32.88338  1.000 35.38515  ?  71  LEU B CA  1 
ATOM   1043 C C   . LEU B 1 73 ? -1.01582 18.63584  34.09589  1.000 35.22111  ?  71  LEU B C   1 
ATOM   1044 O O   . LEU B 1 73 ? -1.58444 18.29145  35.13848  1.000 35.78783  ?  71  LEU B O   1 
ATOM   1045 C CB  . LEU B 1 73 ? -2.07104 17.89517  31.94178  1.000 37.57275  ?  71  LEU B CB  1 
ATOM   1046 C CG  . LEU B 1 73 ? -2.77730 16.67523  32.53747  1.000 39.83857  ?  71  LEU B CG  1 
ATOM   1047 C CD1 . LEU B 1 73 ? -4.14642 17.05515  33.08253  1.000 47.02937  ?  71  LEU B CD1 1 
ATOM   1048 C CD2 . LEU B 1 73 ? -2.89566 15.56703  31.50348  1.000 42.19829  ?  71  LEU B CD2 1 
ATOM   1049 N N   . ALA B 1 74 ? 0.31441  18.64582  33.97951  1.000 34.66864  ?  72  ALA B N   1 
ATOM   1050 C CA  . ALA B 1 74 ? 1.15747  18.31183  35.12151  1.000 34.60784  ?  72  ALA B CA  1 
ATOM   1051 C C   . ALA B 1 74 ? 1.04944  19.35932  36.22182  1.000 32.88344  ?  72  ALA B C   1 
ATOM   1052 O O   . ALA B 1 74 ? 1.17471  19.02717  37.40573  1.000 36.97921  ?  72  ALA B O   1 
ATOM   1053 C CB  . ALA B 1 74 ? 2.61025  18.15418  34.67456  1.000 34.76770  ?  72  ALA B CB  1 
ATOM   1054 N N   . VAL B 1 75 ? 0.82114  20.62130  35.85581  1.000 31.39772  ?  73  VAL B N   1 
ATOM   1055 C CA  . VAL B 1 75 ? 0.60664  21.65889  36.85846  1.000 30.06838  ?  73  VAL B CA  1 
ATOM   1056 C C   . VAL B 1 75 ? -0.79383 21.55229  37.44883  1.000 33.72575  ?  73  VAL B C   1 
ATOM   1057 O O   . VAL B 1 75 ? -0.98704 21.74834  38.65377  1.000 36.17650  ?  73  VAL B O   1 
ATOM   1058 C CB  . VAL B 1 75 ? 0.86622  23.04799  36.24718  1.000 33.18016  ?  73  VAL B CB  1 
ATOM   1059 C CG1 . VAL B 1 75 ? 0.45753  24.14692  37.21485  1.000 27.67810  ?  73  VAL B CG1 1 
ATOM   1060 C CG2 . VAL B 1 75 ? 2.33192  23.19001  35.86763  1.000 28.31399  ?  73  VAL B CG2 1 
ATOM   1061 N N   . GLU B 1 76 ? -1.78990 21.23712  36.61532  1.000 31.77109  ?  74  GLU B N   1 
ATOM   1062 C CA  . GLU B 1 76 ? -3.14653 21.04829  37.12069  1.000 33.40212  ?  74  GLU B CA  1 
ATOM   1063 C C   . GLU B 1 76 ? -3.21224 19.87903  38.09489  1.000 40.88934  ?  74  GLU B C   1 
ATOM   1064 O O   . GLU B 1 76 ? -3.93034 19.93687  39.10020  1.000 34.77759  ?  74  GLU B O   1 
ATOM   1065 C CB  . GLU B 1 76 ? -4.11754 20.82983  35.95897  1.000 34.22665  ?  74  GLU B CB  1 
ATOM   1066 C CG  . GLU B 1 76 ? -4.39621 22.06807  35.11910  1.000 33.24318  ?  74  GLU B CG  1 
ATOM   1067 C CD  . GLU B 1 76 ? -5.22052 21.75708  33.88248  1.000 46.64453  ?  74  GLU B CD  1 
ATOM   1068 O OE1 . GLU B 1 76 ? -5.37943 20.56092  33.55863  1.000 36.29504  ?  74  GLU B OE1 1 
ATOM   1069 O OE2 . GLU B 1 76 ? -5.71027 22.70670  33.23484  1.000 43.43238  -1 74  GLU B OE2 1 
ATOM   1070 N N   . ARG B 1 77 ? -2.46690 18.80811  37.81446  1.000 36.00746  ?  75  ARG B N   1 
ATOM   1071 C CA  . ARG B 1 77 ? -2.45058 17.65497  38.70599  1.000 36.70048  ?  75  ARG B CA  1 
ATOM   1072 C C   . ARG B 1 77 ? -1.63293 17.91461  39.96402  1.000 35.59630  ?  75  ARG B C   1 
ATOM   1073 O O   . ARG B 1 77 ? -1.96081 17.37840  41.02806  1.000 36.54353  ?  75  ARG B O   1 
ATOM   1074 C CB  . ARG B 1 77 ? -1.91334 16.42830  37.96714  1.000 38.36559  ?  75  ARG B CB  1 
ATOM   1075 C CG  . ARG B 1 77 ? -2.90112 15.83075  36.97701  1.000 40.27529  ?  75  ARG B CG  1 
ATOM   1076 C CD  . ARG B 1 77 ? -2.24282 14.80736  36.06723  1.000 41.80672  ?  75  ARG B CD  1 
ATOM   1077 N NE  . ARG B 1 77 ? -3.22614 14.08604  35.26763  1.000 44.10665  ?  75  ARG B NE  1 
ATOM   1078 C CZ  . ARG B 1 77 ? -2.92827 13.27250  34.26367  1.000 45.75760  ?  75  ARG B CZ  1 
ATOM   1079 N NH1 . ARG B 1 77 ? -1.67633 13.06539  33.88919  1.000 45.44844  ?  75  ARG B NH1 1 
ATOM   1080 N NH2 . ARG B 1 77 ? -3.91178 12.65344  33.61686  1.000 48.04273  ?  75  ARG B NH2 1 
ATOM   1081 N N   . TYR B 1 78 ? -0.57380 18.72327  39.86807  1.000 33.82006  ?  76  TYR B N   1 
ATOM   1082 C CA  . TYR B 1 78 ? 0.18787  19.07663  41.06203  1.000 33.53032  ?  76  TYR B CA  1 
ATOM   1083 C C   . TYR B 1 78 ? -0.66927 19.86212  42.04494  1.000 45.50739  ?  76  TYR B C   1 
ATOM   1084 O O   . TYR B 1 78 ? -0.63758 19.60202  43.25305  1.000 34.49544  ?  76  TYR B O   1 
ATOM   1085 C CB  . TYR B 1 78 ? 1.43443  19.87615  40.68164  1.000 31.42808  ?  76  TYR B CB  1 
ATOM   1086 C CG  . TYR B 1 78 ? 2.16139  20.47750  41.86703  1.000 30.44800  ?  76  TYR B CG  1 
ATOM   1087 C CD1 . TYR B 1 78 ? 3.00224  19.70422  42.65739  1.000 38.20171  ?  76  TYR B CD1 1 
ATOM   1088 C CD2 . TYR B 1 78 ? 2.00939  21.81989  42.19278  1.000 29.89290  ?  76  TYR B CD2 1 
ATOM   1089 C CE1 . TYR B 1 78 ? 3.66830  20.25037  43.74088  1.000 54.76437  ?  76  TYR B CE1 1 
ATOM   1090 C CE2 . TYR B 1 78 ? 2.67086  22.37399  43.27343  1.000 36.37755  ?  76  TYR B CE2 1 
ATOM   1091 C CZ  . TYR B 1 78 ? 3.49877  21.58552  44.04372  1.000 54.05460  ?  76  TYR B CZ  1 
ATOM   1092 O OH  . TYR B 1 78 ? 4.15887  22.13454  45.11993  1.000 47.82948  ?  76  TYR B OH  1 
ATOM   1093 N N   . LEU B 1 79 ? -1.44321 20.82897  41.54547  1.000 33.34144  ?  77  LEU B N   1 
ATOM   1094 C CA  . LEU B 1 79 ? -2.32843 21.58916  42.42049  1.000 35.92382  ?  77  LEU B CA  1 
ATOM   1095 C C   . LEU B 1 79 ? -3.44820 20.71770  42.97388  1.000 38.38753  ?  77  LEU B C   1 
ATOM   1096 O O   . LEU B 1 79 ? -3.91284 20.94584  44.09673  1.000 43.33016  ?  77  LEU B O   1 
ATOM   1097 C CB  . LEU B 1 79 ? -2.90308 22.79068  41.66953  1.000 30.66163  ?  77  LEU B CB  1 
ATOM   1098 C CG  . LEU B 1 79 ? -1.88049 23.78502  41.11250  1.000 30.91870  ?  77  LEU B CG  1 
ATOM   1099 C CD1 . LEU B 1 79 ? -2.57120 24.92809  40.38515  1.000 28.64685  ?  77  LEU B CD1 1 
ATOM   1100 C CD2 . LEU B 1 79 ? -0.98328 24.31562  42.22066  1.000 35.91177  ?  77  LEU B CD2 1 
ATOM   1101 N N   . LYS B 1 80 ? -3.88861 19.71777  42.20652  1.000 40.01421  ?  78  LYS B N   1 
ATOM   1102 C CA  . LYS B 1 80 ? -4.89538 18.78662  42.70409  1.000 37.20818  ?  78  LYS B CA  1 
ATOM   1103 C C   . LYS B 1 80 ? -4.32615 17.90345  43.80803  1.000 42.18513  ?  78  LYS B C   1 
ATOM   1104 O O   . LYS B 1 80 ? -5.02953 17.56622  44.76782  1.000 39.18963  ?  78  LYS B O   1 
ATOM   1105 C CB  . LYS B 1 80 ? -5.42720 17.93106  41.55341  1.000 45.94710  ?  78  LYS B CB  1 
ATOM   1106 C CG  . LYS B 1 80 ? -6.79705 17.31683  41.80009  1.000 41.66925  ?  78  LYS B CG  1 
ATOM   1107 C CD  . LYS B 1 80 ? -7.01786 16.07043  40.94883  1.000 53.63870  ?  78  LYS B CD  1 
ATOM   1108 C CE  . LYS B 1 80 ? -6.58473 16.27861  39.50308  1.000 58.92121  ?  78  LYS B CE  1 
ATOM   1109 N NZ  . LYS B 1 80 ? -7.34126 17.36725  38.82609  1.000 71.31424  ?  78  LYS B NZ  1 
ATOM   1110 N N   . ASP B 1 81 ? -3.05025 17.52465  43.69131  1.000 37.15304  ?  79  ASP B N   1 
ATOM   1111 C CA  . ASP B 1 81 ? -2.43325 16.66937  44.69931  1.000 37.96305  ?  79  ASP B CA  1 
ATOM   1112 C C   . ASP B 1 81 ? -2.14492 17.42849  45.98866  1.000 36.65978  ?  79  ASP B C   1 
ATOM   1113 O O   . ASP B 1 81 ? -2.17964 16.83524  47.07298  1.000 49.55645  ?  79  ASP B O   1 
ATOM   1114 C CB  . ASP B 1 81 ? -1.14797 16.05190  44.14791  1.000 38.00402  ?  79  ASP B CB  1 
ATOM   1115 C CG  . ASP B 1 81 ? -1.40242 15.13103  42.96996  1.000 43.26174  ?  79  ASP B CG  1 
ATOM   1116 O OD1 . ASP B 1 81 ? -2.58508 14.89164  42.64644  1.000 41.05038  ?  79  ASP B OD1 1 
ATOM   1117 O OD2 . ASP B 1 81 ? -0.42066 14.65026  42.36470  1.000 42.58901  -1 79  ASP B OD2 1 
ATOM   1118 N N   . GLN B 1 82 ? -1.85641 18.73054  45.89646  1.000 53.16452  ?  80  GLN B N   1 
ATOM   1119 C CA  . GLN B 1 82 ? -1.60987 19.51637  47.10207  1.000 54.79700  ?  80  GLN B CA  1 
ATOM   1120 C C   . GLN B 1 82 ? -2.85059 19.59501  47.98175  1.000 50.62084  ?  80  GLN B C   1 
ATOM   1121 O O   . GLN B 1 82 ? -2.73659 19.73580  49.20471  1.000 65.19402  ?  80  GLN B O   1 
ATOM   1122 C CB  . GLN B 1 82 ? -1.13042 20.92095  46.73158  1.000 42.98400  ?  80  GLN B CB  1 
ATOM   1123 C CG  . GLN B 1 82 ? 0.19316  20.94933  45.98580  1.000 44.11892  ?  80  GLN B CG  1 
ATOM   1124 C CD  . GLN B 1 82 ? 1.29170  20.20698  46.71988  1.000 57.47442  ?  80  GLN B CD  1 
ATOM   1125 O OE1 . GLN B 1 82 ? 1.82415  19.21417  46.22326  1.000 67.65899  ?  80  GLN B OE1 1 
ATOM   1126 N NE2 . GLN B 1 82 ? 1.63877  20.68669  47.90860  1.000 65.49977  ?  80  GLN B NE2 1 
ATOM   1127 N N   . GLN B 1 83 ? -4.03470 19.50571  47.38468  1.000 65.34000  ?  81  GLN B N   1 
ATOM   1128 C CA  . GLN B 1 83 ? -5.28053 19.47789  48.13952  1.000 68.57668  ?  81  GLN B CA  1 
ATOM   1129 C C   . GLN B 1 83 ? -5.49513 18.08715  48.72927  1.000 73.79080  ?  81  GLN B C   1 
ATOM   1130 O O   . GLN B 1 83 ? -5.34542 17.88004  49.93317  1.000 81.99660  ?  81  GLN B O   1 
ATOM   1131 C CB  . GLN B 1 83 ? -6.46087 19.87012  47.24421  1.000 73.09261  ?  81  GLN B CB  1 
ATOM   1132 C CG  . GLN B 1 83 ? -7.51935 20.74163  47.91496  1.000 90.64902  ?  81  GLN B CG  1 
ATOM   1133 C CD  . GLN B 1 83 ? -8.52730 19.95009  48.73375  1.000 104.41235 ?  81  GLN B CD  1 
ATOM   1134 O OE1 . GLN B 1 83 ? -8.21932 18.88809  49.27240  1.000 112.89802 ?  81  GLN B OE1 1 
ATOM   1135 N NE2 . GLN B 1 83 ? -9.74528 20.47035  48.82726  1.000 96.23471  ?  81  GLN B NE2 1 
HETATM 1136 O O   . HOH C 2 .  ? 9.20955  0.09185   65.90076  1.000 54.35891  ?  101 HOH A O   1 
HETATM 1137 O O   . HOH C 2 .  ? 4.15085  1.84061   28.11936  1.000 43.18887  ?  102 HOH A O   1 
HETATM 1138 O O   . HOH C 2 .  ? -7.055   1.408     26.645    1.000 47.52052  ?  103 HOH A O   1 
HETATM 1139 O O   . HOH C 2 .  ? 9.53232  -3.64152  57.09287  1.000 50.69962  ?  104 HOH A O   1 
HETATM 1140 O O   . HOH C 2 .  ? 0.52414  13.79846  30.25706  1.000 32.54492  ?  105 HOH A O   1 
HETATM 1141 O O   . HOH C 2 .  ? 0.74551  11.86724  39.38803  1.000 23.86129  ?  106 HOH A O   1 
HETATM 1142 O O   . HOH C 2 .  ? 1.68045  -6.29033  86.30144  1.000 29.84969  ?  107 HOH A O   1 
HETATM 1143 O O   . HOH C 2 .  ? 1.77257  10.53295  41.87247  1.000 20.55915  ?  108 HOH A O   1 
HETATM 1144 O O   . HOH C 2 .  ? 11.80764 4.05746   73.22717  1.000 35.77613  ?  109 HOH A O   1 
HETATM 1145 O O   . HOH C 2 .  ? 8.61342  -6.47501  63.21055  1.000 56.72379  ?  110 HOH A O   1 
HETATM 1146 O O   . HOH C 2 .  ? 4.77392  5.07184   39.69028  1.000 22.70368  ?  111 HOH A O   1 
HETATM 1147 O O   . HOH C 2 .  ? 0.84559  -14.63358 83.24064  1.000 21.93025  ?  112 HOH A O   1 
HETATM 1148 O O   . HOH C 2 .  ? 5.74879  -12.73483 69.10695  1.000 51.02626  ?  113 HOH A O   1 
HETATM 1149 O O   . HOH C 2 .  ? 11.05875 3.11610   69.24787  1.000 53.23767  ?  114 HOH A O   1 
HETATM 1150 O O   . HOH C 2 .  ? -5.05425 13.00421  29.85421  1.000 45.80901  ?  115 HOH A O   1 
HETATM 1151 O O   . HOH C 2 .  ? 7.803    6.535     52.411    1.000 35.48316  ?  116 HOH A O   1 
HETATM 1152 O O   . HOH C 2 .  ? 5.38601  11.09951  45.79293  1.000 61.89050  ?  117 HOH A O   1 
HETATM 1153 O O   . HOH C 2 .  ? -2.93173 12.68050  25.75930  1.000 42.55653  ?  118 HOH A O   1 
HETATM 1154 O O   . HOH C 2 .  ? 6.69678  -13.17389 66.99907  0.936 78.97043  ?  119 HOH A O   1 
HETATM 1155 O O   . HOH C 2 .  ? -6.18567 13.06851  37.59085  1.000 26.88982  ?  120 HOH A O   1 
HETATM 1156 O O   . HOH C 2 .  ? 10.45362 5.37776   68.33351  1.000 33.98958  ?  121 HOH A O   1 
HETATM 1157 O O   . HOH C 2 .  ? 12.53371 4.63945   66.99917  0.50  40.74329  ?  122 HOH A O   1 
HETATM 1158 O O   . HOH C 2 .  ? -0.98709 14.89933  28.87059  1.000 39.40508  ?  123 HOH A O   1 
HETATM 1159 O O   . HOH C 2 .  ? 1.960    -18.973   97.127    1.000 27.50546  ?  124 HOH A O   1 
HETATM 1160 O O   . HOH D 2 .  ? 4.79209  20.86314  47.06489  1.000 53.97666  ?  101 HOH B O   1 
HETATM 1161 O O   . HOH D 2 .  ? -0.07646 38.97039  -17.52093 1.000 53.47680  ?  102 HOH B O   1 
HETATM 1162 O O   . HOH D 2 .  ? 8.65743  27.16804  28.82662  1.000 47.64999  ?  103 HOH B O   1 
HETATM 1163 O O   . HOH D 2 .  ? -6.78808 24.92880  34.33120  1.000 32.06069  ?  104 HOH B O   1 
HETATM 1164 O O   . HOH D 2 .  ? 1.25178  15.72822  31.66553  1.000 30.55468  ?  105 HOH B O   1 
HETATM 1165 O O   . HOH D 2 .  ? 2.48105  16.53251  38.41824  1.000 27.34996  ?  106 HOH B O   1 
HETATM 1166 O O   . HOH D 2 .  ? 0.73225  14.72262  34.68675  1.000 23.84929  ?  107 HOH B O   1 
HETATM 1167 O O   . HOH D 2 .  ? 10.52907 25.78775  28.65367  1.000 32.58440  ?  108 HOH B O   1 
HETATM 1168 O O   . HOH D 2 .  ? -6.42665 13.85963  34.98046  1.000 44.44476  ?  109 HOH B O   1 
HETATM 1169 O O   . HOH D 2 .  ? 2.30140  15.62261  41.02329  1.000 37.70057  ?  110 HOH B O   1 
HETATM 1170 O O   . HOH D 2 .  ? 11.60243 31.51560  -9.39709  1.000 52.46436  ?  111 HOH B O   1 
HETATM 1171 O O   . HOH D 2 .  ? -2.418   16.714    27.475    1.000 44.61480  ?  112 HOH B O   1 
HETATM 1172 O O   . HOH D 2 .  ? 2.99026  37.82138  -25.53408 1.000 32.45734  ?  113 HOH B O   1 
HETATM 1173 O O   . HOH D 2 .  ? 11.232   21.838    0.468     1.000 36.31859  ?  114 HOH B O   1 
HETATM 1174 O O   . HOH D 2 .  ? 5.00008  38.68359  -24.85730 1.000 60.90283  ?  115 HOH B O   1 
HETATM 1175 O O   . HOH D 2 .  ? 4.841    21.001    37.137    1.000 32.00593  ?  116 HOH B O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . TYR A 3  ? 1.63551 0.87464 0.79924 -0.06121 -0.06699 -0.04590 1  TYR A N   
2    C CA  . TYR A 3  ? 1.54297 0.80278 0.71876 -0.04268 -0.03735 -0.05199 1  TYR A CA  
3    C C   . TYR A 3  ? 1.55055 0.88072 0.76562 -0.02629 -0.02989 -0.04912 1  TYR A C   
4    O O   . TYR A 3  ? 1.56956 0.91987 0.78416 -0.03562 -0.02320 -0.04588 1  TYR A O   
5    C CB  . TYR A 3  ? 1.67849 0.89131 0.80822 -0.04747 0.01325  -0.05728 1  TYR A CB  
6    C CG  . TYR A 3  ? 1.89855 1.15028 1.04579 -0.02318 0.06184  -0.05827 1  TYR A CG  
7    C CD1 . TYR A 3  ? 1.87638 1.16212 1.02585 -0.02396 0.09450  -0.05393 1  TYR A CD1 
8    C CD2 . TYR A 3  ? 1.84832 1.13275 1.05029 0.00162  0.07490  -0.05233 1  TYR A CD2 
9    C CE1 . TYR A 3  ? 1.79566 1.15820 1.01471 0.00119  0.13673  -0.04024 1  TYR A CE1 
10   C CE2 . TYR A 3  ? 1.70996 1.06546 0.98034 0.02816  0.11703  -0.03843 1  TYR A CE2 
11   C CZ  . TYR A 3  ? 1.70012 1.09749 0.98141 0.02881  0.14692  -0.03168 1  TYR A CZ  
12   O OH  . TYR A 3  ? 1.44113 0.91665 0.79511 0.05601  0.18631  -0.01508 1  TYR A OH  
13   N N   . THR A 4  ? 1.55060 0.92905 0.81405 -0.00317 -0.03047 -0.04547 2  THR A N   
14   C CA  . THR A 4  ? 1.51248 0.98551 0.85173 0.01389  -0.01887 -0.03153 2  THR A CA  
15   C C   . THR A 4  ? 1.44076 0.96720 0.85473 0.03954  -0.00024 -0.02154 2  THR A C   
16   O O   . THR A 4  ? 1.43259 0.96339 0.87255 0.04640  -0.02649 -0.02255 2  THR A O   
17   C CB  . THR A 4  ? 1.47399 0.97524 0.82800 0.01183  -0.06224 -0.03002 2  THR A CB  
18   O OG1 . THR A 4  ? 1.64638 1.10904 0.95881 -0.01084 -0.07518 -0.03468 2  THR A OG1 
19   C CG2 . THR A 4  ? 1.26254 0.85647 0.68751 0.02513  -0.04933 -0.01565 2  THR A CG2 
20   N N   . SER A 5  ? 1.43504 1.00283 0.88337 0.05372  0.04503  -0.01097 3  SER A N   
21   C CA  . SER A 5  ? 1.06487 0.68775 0.58559 0.08048  0.06380  0.00180  3  SER A CA  
22   C C   . SER A 5  ? 1.18404 0.90089 0.77924 0.09209  0.04991  0.01629  3  SER A C   
23   O O   . SER A 5  ? 1.07442 0.83782 0.72976 0.11270  0.05731  0.02737  3  SER A O   
24   C CB  . SER A 5  ? 1.08562 0.71122 0.61224 0.09541  0.11913  0.00920  3  SER A CB  
25   O OG  . SER A 5  ? 1.01762 0.69172 0.61071 0.12351  0.13692  0.02336  3  SER A OG  
26   N N   . ARG A 6  ? 1.17318 0.91260 0.75908 0.07749  0.03061  0.01643  4  ARG A N   
27   C CA  . ARG A 6  ? 0.75598 0.57546 0.40153 0.08419  0.01652  0.02897  4  ARG A CA  
28   C C   . ARG A 6  ? 0.88112 0.70454 0.55318 0.09193  -0.01832 0.02558  4  ARG A C   
29   O O   . ARG A 6  ? 0.92225 0.80896 0.65634 0.10613  -0.01905 0.03727  4  ARG A O   
30   C CB  . ARG A 6  ? 0.83935 0.66647 0.45387 0.06258  0.00389  0.02791  4  ARG A CB  
31   C CG  . ARG A 6  ? 0.77571 0.68170 0.44218 0.06476  -0.00581 0.04147  4  ARG A CG  
32   C CD  . ARG A 6  ? 0.72061 0.61761 0.34222 0.03939  -0.02219 0.03802  4  ARG A CD  
33   N NE  . ARG A 6  ? 1.07959 0.95999 0.69173 0.03832  -0.06093 0.03130  4  ARG A NE  
34   C CZ  . ARG A 6  ? 1.10850 0.98870 0.69242 0.02151  -0.07757 0.03088  4  ARG A CZ  
35   N NH1 . ARG A 6  ? 1.22514 1.12386 0.78668 -0.00054 -0.06170 0.03685  4  ARG A NH1 
36   N NH2 . ARG A 6  ? 0.74213 0.60777 0.32929 0.02571  -0.10686 0.02422  4  ARG A NH2 
37   N N   . ILE A 7  ? 0.96799 0.72672 0.59415 0.08198  -0.04765 0.01054  5  ILE A N   
38   C CA  . ILE A 7  ? 0.90594 0.67259 0.56056 0.08925  -0.07998 0.00745  5  ILE A CA  
39   C C   . ILE A 7  ? 0.81165 0.60313 0.51576 0.10577  -0.06287 0.01409  5  ILE A C   
40   O O   . ILE A 7  ? 0.73940 0.57891 0.49705 0.11676  -0.07423 0.01996  5  ILE A O   
41   C CB  . ILE A 7  ? 0.72684 0.42161 0.32397 0.07552  -0.11355 -0.00753 5  ILE A CB  
42   C CG1 . ILE A 7  ? 0.81954 0.47639 0.35552 0.05877  -0.12707 -0.01353 5  ILE A CG1 
43   C CG2 . ILE A 7  ? 0.88667 0.60336 0.52116 0.08375  -0.14815 -0.00901 5  ILE A CG2 
44   C CD1 . ILE A 7  ? 0.96727 0.55139 0.44308 0.04558  -0.16146 -0.02576 5  ILE A CD1 
45   N N   . GLU A 8  ? 0.93918 0.69256 0.62090 0.10725  -0.03354 0.01294  6  GLU A N   
46   C CA  . GLU A 8  ? 0.96340 0.73088 0.68350 0.12345  -0.01275 0.02020  6  GLU A CA  
47   C C   . GLU A 8  ? 0.88106 0.73197 0.67051 0.14270  0.00531  0.03891  6  GLU A C   
48   O O   . GLU A 8  ? 0.85876 0.74478 0.69528 0.15358  -0.00052 0.04552  6  GLU A O   
49   C CB  . GLU A 8  ? 1.10793 0.81279 0.78307 0.12337  0.02194  0.01631  6  GLU A CB  
50   C CG  . GLU A 8  ? 1.03940 0.75185 0.74729 0.14320  0.05109  0.02584  6  GLU A CG  
51   C CD  . GLU A 8  ? 1.39543 1.03449 1.05007 0.14447  0.08850  0.02083  6  GLU A CD  
52   O OE1 . GLU A 8  ? 1.41476 0.97648 0.99981 0.12274  0.07827  0.00479  6  GLU A OE1 
53   O OE2 . GLU A 8  ? 1.54271 1.19922 1.22268 0.16779  0.12859  0.03360  6  GLU A OE2 
54   N N   . SER A 9  ? 0.83934 0.72457 0.63478 0.14464  0.02625  0.04844  7  SER A N   
55   C CA  . SER A 9  ? 0.73350 0.70227 0.59329 0.16011  0.04088  0.06875  7  SER A CA  
56   C C   . SER A 9  ? 0.79140 0.80733 0.68510 0.15640  0.00879  0.07122  7  SER A C   
57   O O   . SER A 9  ? 0.51002 0.58101 0.45727 0.16944  0.01256  0.08521  7  SER A O   
58   C CB  . SER A 9  ? 0.68022 0.68117 0.53759 0.15700  0.06497  0.07837  7  SER A CB  
59   O OG  . SER A 9  ? 0.87727 0.83772 0.70728 0.16399  0.10064  0.07684  7  SER A OG  
60   N N   . LEU A 10 ? 0.66586 0.65677 0.52542 0.13950  -0.02194 0.05808  8  LEU A N   
61   C CA  . LEU A 10 ? 0.57239 0.59868 0.45810 0.13796  -0.04981 0.05862  8  LEU A CA  
62   C C   . LEU A 10 ? 0.71345 0.73733 0.62760 0.14729  -0.06387 0.05459  8  LEU A C   
63   O O   . LEU A 10 ? 0.59871 0.67009 0.55600 0.15353  -0.07147 0.06146  8  LEU A O   
64   C CB  . LEU A 10 ? 0.64710 0.63893 0.48402 0.12118  -0.07694 0.04604  8  LEU A CB  
65   C CG  . LEU A 10 ? 0.55571 0.54630 0.35625 0.10540  -0.06686 0.04848  8  LEU A CG  
66   C CD1 . LEU A 10 ? 0.49777 0.43280 0.23703 0.08949  -0.09489 0.03410  8  LEU A CD1 
67   C CD2 . LEU A 10 ? 0.78358 0.84785 0.62308 0.10402  -0.05720 0.06520  8  LEU A CD2 
68   N N   . ILE A 11 ? 0.55675 0.52534 0.44440 0.14530  -0.06695 0.04362  9  ILE A N   
69   C CA  . ILE A 11 ? 0.42162 0.38931 0.33493 0.14971  -0.07906 0.04023  9  ILE A CA  
70   C C   . ILE A 11 ? 0.50599 0.51196 0.46605 0.16467  -0.05329 0.05488  9  ILE A C   
71   O O   . ILE A 11 ? 0.49669 0.53674 0.49717 0.16940  -0.06200 0.05845  9  ILE A O   
72   C CB  . ILE A 11 ? 0.55571 0.45263 0.42225 0.13852  -0.08850 0.02624  9  ILE A CB  
73   C CG1 . ILE A 11 ? 0.64844 0.51756 0.48161 0.12606  -0.12549 0.01363  9  ILE A CG1 
74   C CG2 . ILE A 11 ? 0.57811 0.47298 0.46871 0.14040  -0.08904 0.02593  9  ILE A CG2 
75   C CD1 . ILE A 11 ? 0.77748 0.58291 0.56655 0.11174  -0.14245 0.00155  9  ILE A CD1 
76   N N   . ARG A 12 ? 0.41283 0.41313 0.36755 0.17349  -0.02020 0.06433  10 ARG A N   
77   C CA  . ARG A 12 ? 0.57865 0.61406 0.57643 0.19144  0.00436  0.08118  10 ARG A CA  
78   C C   . ARG A 12 ? 0.56742 0.68039 0.61395 0.19721  0.00113  0.09693  10 ARG A C   
79   O O   . ARG A 12 ? 0.60016 0.74078 0.68213 0.19824  0.00595  0.10392  10 ARG A O   
80   C CB  . ARG A 12 ? 0.47014 0.48214 0.45199 0.20422  0.04251  0.08918  10 ARG A CB  
81   C CG  . ARG A 12 ? 0.75853 0.68562 0.67744 0.19455  0.04951  0.07277  10 ARG A CG  
82   C CD  . ARG A 12 ? 0.70711 0.58153 0.61061 0.20107  0.06723  0.07111  10 ARG A CD  
83   N NE  . ARG A 12 ? 1.18593 0.97486 1.01960 0.18534  0.06966  0.05385  10 ARG A NE  
84   C CZ  . ARG A 12 ? 1.24089 0.96160 1.03659 0.17831  0.07581  0.04538  10 ARG A CZ  
85   N NH1 . ARG A 12 ? 1.00163 0.72528 0.82105 0.18737  0.08415  0.05268  10 ARG A NH1 
86   N NH2 . ARG A 12 ? 1.11819 0.76167 0.84467 0.15859  0.07272  0.02921  10 ARG A NH2 
87   N N   . GLU A 13 ? 0.71597 0.85306 0.75405 0.18787  -0.00723 0.09758  11 GLU A N   
88   C CA  . GLU A 13 ? 0.58894 0.78525 0.65914 0.17858  -0.00983 0.10713  11 GLU A CA  
89   C C   . GLU A 13 ? 0.53377 0.72588 0.61428 0.15952  -0.03180 0.09268  11 GLU A C   
90   O O   . GLU A 13 ? 0.42899 0.64274 0.53141 0.14852  -0.02738 0.09496  11 GLU A O   
91   C CB  . GLU A 13 ? 0.72269 0.94230 0.77405 0.17376  -0.01328 0.11333  11 GLU A CB  
92   C CG  . GLU A 13 ? 0.77748 1.05414 0.85629 0.16635  0.00387  0.13020  11 GLU A CG  
93   C CD  . GLU A 13 ? 1.06831 1.36529 1.13041 0.16510  0.01484  0.13968  11 GLU A CD  
94   O OE1 . GLU A 13 ? 0.93861 1.22626 0.96658 0.14362  -0.00192 0.13099  11 GLU A OE1 
95   O OE2 . GLU A 13 ? 1.10410 1.41239 1.17921 0.17831  0.04351  0.15067  11 GLU A OE2 
96   N N   . ALA A 14 ? 0.48932 0.64963 0.55032 0.15674  -0.05491 0.07841  12 ALA A N   
97   C CA  . ALA A 14 ? 0.47095 0.62729 0.54926 0.14229  -0.07053 0.06710  12 ALA A CA  
98   C C   . ALA A 14 ? 0.55377 0.70917 0.65787 0.14600  -0.06448 0.06734  12 ALA A C   
99   O O   . ALA A 14 ? 0.39567 0.55968 0.52117 0.13546  -0.06841 0.06258  12 ALA A O   
100  C CB  . ALA A 14 ? 0.52425 0.65101 0.57816 0.13772  -0.09450 0.05534  12 ALA A CB  
101  N N   . GLN A 15 ? 0.43826 0.57792 0.53490 0.16311  -0.05333 0.07339  13 GLN A N   
102  C CA  . GLN A 15 ? 0.39924 0.53465 0.51440 0.16854  -0.04506 0.07623  13 GLN A CA  
103  C C   . GLN A 15 ? 0.55423 0.71661 0.69097 0.16359  -0.02728 0.08481  13 GLN A C   
104  O O   . GLN A 15 ? 0.49451 0.66439 0.64861 0.15704  -0.02975 0.08229  13 GLN A O   
105  C CB  . GLN A 15 ? 0.56411 0.65826 0.65303 0.19146  -0.03169 0.08244  13 GLN A CB  
106  C CG  . GLN A 15 ? 0.79060 0.87108 0.89100 0.19865  -0.01284 0.09002  13 GLN A CG  
107  C CD  . GLN A 15 ? 0.95338 1.03906 1.07139 0.18711  -0.03161 0.08207  13 GLN A CD  
108  O OE1 . GLN A 15 ? 0.65455 0.75877 0.79807 0.18894  -0.02231 0.09020  13 GLN A OE1 
109  N NE2 . GLN A 15 ? 0.89490 0.96384 0.99795 0.17175  -0.05839 0.06536  13 GLN A NE2 
110  N N   . ASN A 16 ? 0.46505 0.64318 0.59809 0.16741  -0.01031 0.09629  14 ASN A N   
111  C CA  . ASN A 16 ? 0.52707 0.73044 0.67453 0.16268  0.00230  0.10698  14 ASN A CA  
112  C C   . ASN A 16 ? 0.57070 0.79063 0.72363 0.14399  -0.01127 0.09984  14 ASN A C   
113  O O   . ASN A 16 ? 0.56155 0.78971 0.72446 0.13951  -0.00845 0.10312  14 ASN A O   
114  C CB  . ASN A 16 ? 0.60647 0.82925 0.75115 0.17028  0.02045  0.12282  14 ASN A CB  
115  C CG  . ASN A 16 ? 0.67554 0.87962 0.81798 0.19174  0.04419  0.13399  14 ASN A CG  
116  O OD1 . ASN A 16 ? 0.84848 1.04805 0.98069 0.20450  0.05872  0.14003  14 ASN A OD1 
117  N ND2 . ASN A 16 ? 0.91675 1.10571 1.06565 0.19728  0.05106  0.13715  14 ASN A ND2 
118  N N   . GLN A 17 ? 0.39493 0.61569 0.53741 0.13499  -0.02441 0.09135  15 GLN A N   
119  C CA  . GLN A 17 ? 0.43972 0.66835 0.58246 0.12069  -0.03332 0.08541  15 GLN A CA  
120  C C   . GLN A 17 ? 0.47842 0.69295 0.63244 0.11712  -0.04379 0.07269  15 GLN A C   
121  O O   . GLN A 17 ? 0.54605 0.77352 0.70376 0.11098  -0.04264 0.07409  15 GLN A O   
122  C CB  . GLN A 17 ? 0.38595 0.61406 0.51136 0.11462  -0.04343 0.08102  15 GLN A CB  
123  C CG  . GLN A 17 ? 0.50530 0.74369 0.62598 0.10277  -0.04725 0.07996  15 GLN A CG  
124  C CD  . GLN A 17 ? 0.66589 0.93519 0.78980 0.09810  -0.03376 0.09654  15 GLN A CD  
125  O OE1 . GLN A 17 ? 0.70114 0.99220 0.82247 0.09933  -0.02510 0.10999  15 GLN A OE1 
126  N NE2 . GLN A 17 ? 0.61325 0.89349 0.74305 0.09404  -0.03076 0.10092  15 GLN A NE2 
127  N N   . GLN A 18 ? 0.39442 0.59130 0.55347 0.12312  -0.05185 0.06544  16 GLN A N   
128  C CA  . GLN A 18 ? 0.56814 0.75981 0.74353 0.11982  -0.06179 0.05558  16 GLN A CA  
129  C C   . GLN A 18 ? 0.53399 0.73756 0.72154 0.12202  -0.05017 0.06142  16 GLN A C   
130  O O   . GLN A 18 ? 0.42287 0.63512 0.62082 0.11611  -0.05211 0.05695  16 GLN A O   
131  C CB  . GLN A 18 ? 0.31029 0.48604 0.48884 0.12505  -0.07462 0.05153  16 GLN A CB  
132  C CG  . GLN A 18 ? 0.41833 0.59755 0.62052 0.12085  -0.08554 0.04503  16 GLN A CG  
133  C CD  . GLN A 18 ? 0.34131 0.52142 0.54937 0.10836  -0.09154 0.04114  16 GLN A CD  
134  O OE1 . GLN A 18 ? 0.36549 0.54020 0.55893 0.10515  -0.09387 0.04355  16 GLN A OE1 
135  N NE2 . GLN A 18 ? 0.35422 0.54376 0.58190 0.10388  -0.09218 0.03705  16 GLN A NE2 
136  N N   . GLU A 19 ? 0.35957 0.56301 0.54519 0.13227  -0.03615 0.07424  17 GLU A N   
137  C CA  . GLU A 19 ? 0.46173 0.67311 0.65679 0.13570  -0.02405 0.08485  17 GLU A CA  
138  C C   . GLU A 19 ? 0.65192 0.88113 0.84535 0.12704  -0.01897 0.09156  17 GLU A C   
139  O O   . GLU A 19 ? 0.42690 0.66469 0.62879 0.12371  -0.01716 0.09429  17 GLU A O   
140  C CB  . GLU A 19 ? 0.58868 0.78915 0.77960 0.15162  -0.00693 0.10032  17 GLU A CB  
141  C CG  . GLU A 19 ? 0.61824 0.79350 0.80429 0.16365  -0.00842 0.09777  17 GLU A CG  
142  C CD  . GLU A 19 ? 0.92188 1.07227 1.09812 0.18300  0.01535  0.11361  17 GLU A CD  
143  O OE1 . GLU A 19 ? 0.87580 0.99398 1.03450 0.19587  0.02125  0.11363  17 GLU A OE1 
144  O OE2 . GLU A 19 ? 0.92392 1.07968 1.10495 0.18678  0.02971  0.12633  17 GLU A OE2 
145  N N   . LYS A 20 ? 0.60485 0.84385 0.78716 0.12421  -0.01575 0.09807  18 LYS A N   
146  C CA  . LYS A 20 ? 0.61794 0.88138 0.79688 0.11744  -0.01032 0.11178  18 LYS A CA  
147  C C   . LYS A 20 ? 0.54497 0.81305 0.72378 0.10777  -0.01896 0.10287  18 LYS A C   
148  O O   . LYS A 20 ? 0.66263 0.94595 0.84251 0.10294  -0.01510 0.11232  18 LYS A O   
149  C CB  . LYS A 20 ? 0.27044 0.54867 0.43883 0.11567  -0.00652 0.12128  18 LYS A CB  
150  C CG  . LYS A 20 ? 0.56285 0.84306 0.73420 0.12710  0.00543  0.13347  18 LYS A CG  
151  C CD  . LYS A 20 ? 0.61312 0.91746 0.77833 0.12384  0.00924  0.14511  18 LYS A CD  
152  C CE  . LYS A 20 ? 0.47761 0.79096 0.65022 0.13730  0.02370  0.16113  18 LYS A CE  
153  N NZ  . LYS A 20 ? 0.41890 0.76903 0.59202 0.13284  0.02782  0.17954  18 LYS A NZ  
154  N N   . ASN A 21 ? 0.44338 0.69821 0.62139 0.10604  -0.03064 0.08578  19 ASN A N   
155  C CA  . ASN A 21 ? 0.29825 0.55635 0.47964 0.10044  -0.03739 0.07687  19 ASN A CA  
156  C C   . ASN A 21 ? 0.40877 0.66763 0.60902 0.10156  -0.03760 0.07176  19 ASN A C   
157  O O   . ASN A 21 ? 0.50756 0.77872 0.71289 0.09724  -0.03539 0.07293  19 ASN A O   
158  C CB  . ASN A 21 ? 0.38936 0.63295 0.56660 0.10049  -0.05015 0.06280  19 ASN A CB  
159  C CG  . ASN A 21 ? 0.40299 0.64779 0.55997 0.09746  -0.05073 0.06709  19 ASN A CG  
160  O OD1 . ASN A 21 ? 0.39685 0.65607 0.54599 0.09529  -0.04150 0.08039  19 ASN A OD1 
161  N ND2 . ASN A 21 ? 0.50526 0.73635 0.65499 0.09714  -0.06219 0.05750  19 ASN A ND2 
162  N N   . GLU A 22 ? 0.59114 0.83820 0.80204 0.10701  -0.04032 0.06598  20 GLU A N   
163  C CA  . GLU A 22 ? 0.47026 0.72146 0.70064 0.10709  -0.04124 0.06027  20 GLU A CA  
164  C C   . GLU A 22 ? 0.47443 0.73682 0.70630 0.10651  -0.02881 0.07524  20 GLU A C   
165  O O   . GLU A 22 ? 0.52399 0.80048 0.76951 0.10302  -0.02660 0.07548  20 GLU A O   
166  C CB  . GLU A 22 ? 0.34705 0.58873 0.58596 0.11414  -0.04647 0.05609  20 GLU A CB  
167  C CG  . GLU A 22 ? 0.44757 0.67952 0.69111 0.11358  -0.06351 0.04078  20 GLU A CG  
168  C CD  . GLU A 22 ? 0.60703 0.83666 0.85749 0.12123  -0.06984 0.04217  20 GLU A CD  
169  O OE1 . GLU A 22 ? 0.71345 0.93885 0.95922 0.12961  -0.05779 0.05726  20 GLU A OE1 
170  O OE2 . GLU A 22 ? 0.58832 0.81751 0.84746 0.11858  -0.08551 0.03205  20 GLU A OE2 
171  N N   . GLN A 23 ? 0.49763 0.75822 0.71793 0.11087  -0.01955 0.09138  21 GLN A N   
172  C CA  . GLN A 23 ? 0.37939 0.65220 0.60168 0.11234  -0.00829 0.11119  21 GLN A CA  
173  C C   . GLN A 23 ? 0.54486 0.83400 0.76066 0.10289  -0.00846 0.11626  21 GLN A C   
174  O O   . GLN A 23 ? 0.55897 0.86087 0.78140 0.10039  -0.00398 0.12610  21 GLN A O   
175  C CB  . GLN A 23 ? 0.61616 0.88447 0.83156 0.12256  0.00219  0.12853  21 GLN A CB  
176  C CG  . GLN A 23 ? 0.73970 1.01818 0.95956 0.12801  0.01384  0.15190  21 GLN A CG  
177  C CD  . GLN A 23 ? 0.74794 1.02373 0.98295 0.13242  0.01834  0.15673  21 GLN A CD  
178  O OE1 . GLN A 23 ? 0.63829 0.90064 0.88088 0.13793  0.01797  0.14944  21 GLN A OE1 
179  N NE2 . GLN A 23 ? 0.43098 0.72177 0.67192 0.12985  0.02298  0.17180  21 GLN A NE2 
180  N N   . ALA A 24 ? 0.49875 0.79278 0.70151 0.09846  -0.01185 0.11512  22 ALA A N   
181  C CA  . ALA A 24 ? 0.26232 0.57285 0.45705 0.08976  -0.01204 0.12107  22 ALA A CA  
182  C C   . ALA A 24 ? 0.42438 0.73651 0.62861 0.08565  -0.01638 0.10671  22 ALA A C   
183  O O   . ALA A 24 ? 0.41502 0.74083 0.61583 0.07926  -0.01474 0.11195  22 ALA A O   
184  C CB  . ALA A 24 ? 0.49761 0.81242 0.67604 0.08589  -0.01479 0.12217  22 ALA A CB  
185  N N   . LEU A 25 ? 0.37113 0.67256 0.58926 0.08914  -0.02180 0.08926  23 LEU A N   
186  C CA  . LEU A 25 ? 0.27080 0.57891 0.50523 0.08666  -0.02452 0.07543  23 LEU A CA  
187  C C   . LEU A 25 ? 0.36069 0.67963 0.61445 0.08541  -0.01868 0.07773  23 LEU A C   
188  O O   . LEU A 25 ? 0.54037 0.87292 0.79106 0.08276  -0.01052 0.09560  23 LEU A O   
189  C CB  . LEU A 25 ? 0.38071 0.67816 0.62490 0.09072  -0.03461 0.05765  23 LEU A CB  
190  C CG  . LEU A 25 ? 0.53515 0.84286 0.80332 0.09024  -0.03725 0.04374  23 LEU A CG  
191  C CD1 . LEU A 25 ? 0.49008 0.80333 0.75033 0.08951  -0.03575 0.04333  23 LEU A CD1 
192  C CD2 . LEU A 25 ? 0.43712 0.73630 0.72286 0.09454  -0.04885 0.03068  23 LEU A CD2 
193  N N   . GLN A 35 ? 0.43708 0.84231 0.53539 0.02632  -0.02737 0.15245  33 GLN A N   
194  C CA  . GLN A 35 ? 0.38012 0.77257 0.48351 0.03257  -0.02609 0.15081  33 GLN A CA  
195  C C   . GLN A 35 ? 0.47411 0.83120 0.58620 0.04890  -0.02940 0.12903  33 GLN A C   
196  O O   . GLN A 35 ? 0.46894 0.81360 0.57997 0.05307  -0.03113 0.12353  33 GLN A O   
197  C CB  . GLN A 35 ? 0.53115 0.93645 0.64623 0.03351  -0.01910 0.16845  33 GLN A CB  
198  C CG  . GLN A 35 ? 0.46288 0.86919 0.58284 0.03920  -0.01575 0.17340  33 GLN A CG  
199  C CD  . GLN A 35 ? 0.79656 1.23176 0.90793 0.02414  -0.01628 0.18659  33 GLN A CD  
200  O OE1 . GLN A 35 ? 0.64529 1.09031 0.76106 0.02750  -0.01293 0.19387  33 GLN A OE1 
201  N NE2 . GLN A 35 ? 0.60736 1.06328 0.70766 0.00547  -0.01993 0.19238  33 GLN A NE2 
202  N N   . LEU A 36 ? 0.43371 0.83362 0.31946 0.15066  0.00756  0.00976  34 LEU A N   
203  C CA  . LEU A 36 ? 0.49614 0.84956 0.39076 0.18009  0.00869  0.00688  34 LEU A CA  
204  C C   . LEU A 36 ? 0.61883 0.91621 0.46977 0.15257  0.01540  -0.00316 34 LEU A C   
205  O O   . LEU A 36 ? 0.36906 0.65612 0.23118 0.16445  0.01483  -0.00376 34 LEU A O   
206  C CB  . LEU A 36 ? 0.40976 0.70858 0.30319 0.20742  0.00535  0.00964  34 LEU A CB  
207  C CG  . LEU A 36 ? 0.38647 0.59977 0.25900 0.20839  0.00529  0.00969  34 LEU A CG  
208  C CD1 . LEU A 36 ? 0.67922 0.88165 0.55738 0.19620  0.00577  0.01091  34 LEU A CD1 
209  C CD2 . LEU A 36 ? 0.53366 0.68939 0.39112 0.20657  0.00800  0.01168  34 LEU A CD2 
210  N N   . LEU A 37 ? 0.67011 0.92679 0.46697 0.11504  0.02136  -0.01061 35 LEU A N   
211  C CA  . LEU A 37 ? 0.64245 0.83920 0.38907 0.08718  0.02856  -0.02008 35 LEU A CA  
212  C C   . LEU A 37 ? 0.64966 0.89086 0.40100 0.06604  0.02160  -0.01691 35 LEU A C   
213  O O   . LEU A 37 ? 0.43218 0.63948 0.16835 0.06220  0.02526  -0.02198 35 LEU A O   
214  C CB  . LEU A 37 ? 0.60679 0.74820 0.28689 0.05001  0.03574  -0.02754 35 LEU A CB  
215  C CG  . LEU A 37 ? 0.59522 0.68473 0.26600 0.06771  0.04534  -0.03207 35 LEU A CG  
216  C CD1 . LEU A 37 ? 0.89071 0.93209 0.49189 0.02745  0.05229  -0.03902 35 LEU A CD1 
217  C CD2 . LEU A 37 ? 0.66607 0.69465 0.34764 0.09655  0.05439  -0.03644 35 LEU A CD2 
218  N N   . SER A 38 ? 0.58106 0.90075 0.35706 0.05298  0.01209  -0.00768 36 SER A N   
219  C CA  . SER A 38 ? 0.52140 0.89269 0.31118 0.03521  0.00588  -0.00275 36 SER A CA  
220  C C   . SER A 38 ? 0.54687 0.94633 0.38486 0.07326  0.00495  0.00073  36 SER A C   
221  O O   . SER A 38 ? 0.46699 0.86515 0.30082 0.06378  0.00443  -0.00084 36 SER A O   
222  C CB  . SER A 38 ? 0.52662 0.98202 0.33903 0.01561  -0.00171 0.00811  36 SER A CB  
223  O OG  . SER A 38 ? 0.63339 1.14737 0.49948 0.05224  -0.00291 0.01699  36 SER A OG  
224  N N   . GLY A 39 ? 0.55820 0.97953 0.44007 0.11674  0.00475  0.00555  37 GLY A N   
225  C CA  . GLY A 39 ? 0.60815 1.04420 0.53040 0.15524  0.00414  0.00856  37 GLY A CA  
226  C C   . GLY A 39 ? 0.50294 0.86185 0.40495 0.16503  0.00682  0.00084  37 GLY A C   
227  O O   . GLY A 39 ? 0.33543 0.69784 0.25433 0.17994  0.00324  0.00286  37 GLY A O   
228  N N   . ILE A 40 ? 0.35441 0.64171 0.22003 0.15700  0.01388  -0.00703 38 ILE A N   
229  C CA  . ILE A 40 ? 0.55447 0.76673 0.40300 0.16425  0.02030  -0.01346 38 ILE A CA  
230  C C   . ILE A 40 ? 0.64972 0.84332 0.45975 0.12997  0.02516  -0.02108 38 ILE A C   
231  O O   . ILE A 40 ? 0.61365 0.78277 0.42844 0.13883  0.02679  -0.02298 38 ILE A O   
232  C CB  . ILE A 40 ? 0.55212 0.69606 0.37962 0.16868  0.02809  -0.01736 38 ILE A CB  
233  C CG1 . ILE A 40 ? 0.38013 0.52632 0.24041 0.19597  0.01655  -0.00444 38 ILE A CG1 
234  C CG2 . ILE A 40 ? 0.46935 0.53620 0.27498 0.16594  0.03698  -0.02294 38 ILE A CG2 
235  C CD1 . ILE A 40 ? 0.51863 0.60491 0.36505 0.19528  0.02231  -0.00444 38 ILE A CD1 
236  N N   . VAL A 41 ? 0.46764 0.66836 0.23682 0.08767  0.02522  -0.02374 39 VAL A N   
237  C CA  . VAL A 41 ? 0.44877 0.63087 0.17786 0.05101  0.02600  -0.02829 39 VAL A CA  
238  C C   . VAL A 41 ? 0.62550 0.87749 0.39474 0.05419  0.01707  -0.02104 39 VAL A C   
239  O O   . VAL A 41 ? 0.40855 0.64158 0.16730 0.04714  0.01835  -0.02431 39 VAL A O   
240  C CB  . VAL A 41 ? 0.49293 0.66050 0.16981 0.00650  0.02520  -0.03017 39 VAL A CB  
241  C CG1 . VAL A 41 ? 0.52802 0.69439 0.17834 -0.02833 0.02151  -0.03131 39 VAL A CG1 
242  C CG2 . VAL A 41 ? 0.61856 0.69783 0.24180 0.00376  0.03739  -0.03926 39 VAL A CG2 
243  N N   . GLN A 42 ? 0.36670 0.70023 0.18259 0.06641  0.00929  -0.01083 40 GLN A N   
244  C CA  . GLN A 42 ? 0.32919 0.73179 0.18648 0.07504  0.00373  -0.00318 40 GLN A CA  
245  C C   . GLN A 42 ? 0.60259 0.98656 0.48704 0.11463  0.00552  -0.00440 40 GLN A C   
246  O O   . GLN A 42 ? 0.45238 0.85548 0.34797 0.11389  0.00400  -0.00326 40 GLN A O   
247  C CB  . GLN A 42 ? 0.42269 0.91242 0.32427 0.08643  -0.00027 0.00837  40 GLN A CB  
248  C CG  . GLN A 42 ? 0.59808 1.16178 0.54343 0.10045  -0.00027 0.01692  40 GLN A CG  
249  C CD  . GLN A 42 ? 0.60113 1.18707 0.52919 0.05996  -0.00377 0.01825  40 GLN A CD  
250  O OE1 . GLN A 42 ? 0.69692 1.29842 0.63958 0.06699  -0.00291 0.01919  40 GLN A OE1 
251  N NE2 . GLN A 42 ? 0.84006 1.42647 0.73626 0.01684  -0.00730 0.01845  40 GLN A NE2 
252  N N   . GLN A 43 ? 0.57399 0.91866 0.46918 0.14853  0.00736  -0.00552 41 GLN A N   
253  C CA  . GLN A 43 ? 0.35332 0.66524 0.26551 0.18075  0.00210  -0.00264 41 GLN A CA  
254  C C   . GLN A 43 ? 0.54516 0.79557 0.42974 0.16676  0.01137  -0.01251 41 GLN A C   
255  O O   . GLN A 43 ? 0.43553 0.67944 0.33140 0.17642  0.00711  -0.01006 41 GLN A O   
256  C CB  . GLN A 43 ? 0.35525 0.60107 0.25285 0.18761  -0.00011 0.00185  41 GLN A CB  
257  C CG  . GLN A 43 ? 0.41457 0.59230 0.30044 0.18293  0.00174  0.00257  41 GLN A CG  
258  C CD  . GLN A 43 ? 0.48920 0.67263 0.38117 0.17714  0.00280  0.00470  41 GLN A CD  
259  O OE1 . GLN A 43 ? 0.33039 0.55149 0.23072 0.17634  0.00244  0.00497  41 GLN A OE1 
260  N NE2 . GLN A 43 ? 0.50792 0.66566 0.38814 0.18234  0.00457  0.00699  41 GLN A NE2 
261  N N   . GLN A 44 ? 0.46658 0.66442 0.30595 0.14136  0.02122  -0.02177 42 GLN A N   
262  C CA  . GLN A 44 ? 0.34660 0.47974 0.15242 0.12829  0.02922  -0.02982 42 GLN A CA  
263  C C   . GLN A 44 ? 0.52646 0.68739 0.31616 0.09934  0.02621  -0.03131 42 GLN A C   
264  O O   . GLN A 44 ? 0.45740 0.58524 0.23923 0.10013  0.02947  -0.03494 42 GLN A O   
265  C CB  . GLN A 44 ? 0.39738 0.46245 0.15208 0.10791  0.03958  -0.03787 42 GLN A CB  
266  C CG  . GLN A 44 ? 0.38833 0.39137 0.15866 0.13608  0.04523  -0.03604 42 GLN A CG  
267  C CD  . GLN A 44 ? 0.49714 0.44702 0.22901 0.12256  0.05453  -0.04114 42 GLN A CD  
268  O OE1 . GLN A 44 ? 0.82598 0.77432 0.51018 0.08798  0.05748  -0.04824 42 GLN A OE1 
269  N NE2 . GLN A 44 ? 0.77131 0.68133 0.52514 0.14370  0.05589  -0.03365 42 GLN A NE2 
270  N N   . ASN A 45 ? 0.36912 0.59025 0.15760 0.07283  0.01909  -0.02675 43 ASN A N   
271  C CA  . ASN A 45 ? 0.48086 0.73548 0.26567 0.04699  0.01399  -0.02476 43 ASN A CA  
272  C C   . ASN A 45 ? 0.50310 0.80707 0.33991 0.07790  0.00980  -0.01883 43 ASN A C   
273  O O   . ASN A 45 ? 0.52107 0.82632 0.35414 0.06751  0.00893  -0.01992 43 ASN A O   
274  C CB  . ASN A 45 ? 0.57103 0.88095 0.35123 0.01270  0.00707  -0.01875 43 ASN A CB  
275  C CG  . ASN A 45 ? 0.58261 0.92969 0.36328 -0.01527 0.00191  -0.01547 43 ASN A CG  
276  O OD1 . ASN A 45 ? 0.75820 1.18859 0.57956 -0.01386 -0.00354 -0.00573 43 ASN A OD1 
277  N ND2 . ASN A 45 ? 0.67402 0.96011 0.41079 -0.03869 0.00498  -0.02304 43 ASN A ND2 
278  N N   . ASN A 46 ? 0.50403 0.84402 0.38610 0.11620  0.00715  -0.01238 44 ASN A N   
279  C CA  . ASN A 46 ? 0.45704 0.83341 0.38175 0.14827  0.00256  -0.00620 44 ASN A CA  
280  C C   . ASN A 46 ? 0.39543 0.70588 0.31185 0.16324  0.00284  -0.01002 44 ASN A C   
281  O O   . ASN A 46 ? 0.39031 0.71212 0.31487 0.16498  0.00001  -0.00878 44 ASN A O   
282  C CB  . ASN A 46 ? 0.30893 0.68005 0.24845 0.16625  -0.00208 0.00252  44 ASN A CB  
283  C CG  . ASN A 46 ? 0.46869 0.91204 0.42616 0.15666  0.00214  0.00723  44 ASN A CG  
284  O OD1 . ASN A 46 ? 0.66863 1.18536 0.63639 0.13845  0.00269  0.00998  44 ASN A OD1 
285  N ND2 . ASN A 46 ? 0.69456 1.10825 0.63038 0.15978  0.00691  0.00922  44 ASN A ND2 
286  N N   . LEU A 47 ? 0.33315 0.57232 0.23360 0.17088  0.00621  -0.01294 45 LEU A N   
287  C CA  . LEU A 47 ? 0.43660 0.60726 0.33022 0.17452  0.00707  -0.01298 45 LEU A CA  
288  C C   . LEU A 47 ? 0.59574 0.74945 0.46618 0.15701  0.01769  -0.02409 45 LEU A C   
289  O O   . LEU A 47 ? 0.45537 0.58909 0.33305 0.16153  0.01620  -0.02287 45 LEU A O   
290  C CB  . LEU A 47 ? 0.38846 0.49341 0.27412 0.17302  0.01040  -0.01109 45 LEU A CB  
291  C CG  . LEU A 47 ? 0.52207 0.62541 0.41543 0.16942  0.00630  -0.00448 45 LEU A CG  
292  C CD1 . LEU A 47 ? 0.30554 0.36042 0.19822 0.16186  0.01109  -0.00387 45 LEU A CD1 
293  C CD2 . LEU A 47 ? 0.58145 0.68476 0.47742 0.16614  0.00409  -0.00078 45 LEU A CD2 
294  N N   . LEU A 48 ? 0.40530 0.55418 0.23293 0.12393  0.02382  -0.03164 46 LEU A N   
295  C CA  . LEU A 48 ? 0.43443 0.55181 0.21924 0.09205  0.02792  -0.03852 46 LEU A CA  
296  C C   . LEU A 48 ? 0.50780 0.68311 0.31030 0.08188  0.02045  -0.03458 46 LEU A C   
297  O O   . LEU A 48 ? 0.45023 0.60107 0.24217 0.07683  0.02230  -0.03780 46 LEU A O   
298  C CB  . LEU A 48 ? 0.51427 0.60753 0.24314 0.05118  0.03102  -0.04366 46 LEU A CB  
299  C CG  . LEU A 48 ? 0.57370 0.62108 0.24609 0.01359  0.03429  -0.05004 46 LEU A CG  
300  C CD1 . LEU A 48 ? 0.68211 0.66106 0.34762 0.03008  0.04388  -0.05603 46 LEU A CD1 
301  C CD2 . LEU A 48 ? 0.61472 0.63407 0.24067 -0.01587 0.03472  -0.05259 46 LEU A CD2 
302  N N   . ARG A 49 ? 0.49311 0.74604 0.32507 0.07996  0.01261  -0.02673 47 ARG A N   
303  C CA  . ARG A 49 ? 0.30446 0.61717 0.16047 0.07440  0.00685  -0.02130 47 ARG A CA  
304  C C   . ARG A 49 ? 0.33469 0.64378 0.22264 0.11102  0.00674  -0.02007 47 ARG A C   
305  O O   . ARG A 49 ? 0.54217 0.85937 0.43081 0.10319  0.00576  -0.02048 47 ARG A O   
306  C CB  . ARG A 49 ? 0.28639 0.68472 0.17489 0.07354  0.00149  -0.01158 47 ARG A CB  
307  C CG  . ARG A 49 ? 0.73173 1.14145 0.59183 0.03287  -0.00055 -0.01063 47 ARG A CG  
308  C CD  . ARG A 49 ? 0.79741 1.21448 0.63257 -0.01041 -0.00349 -0.01072 47 ARG A CD  
309  N NE  . ARG A 49 ? 1.03776 1.36746 0.81559 -0.03594 0.00015  -0.02085 47 ARG A NE  
310  C CZ  . ARG A 49 ? 0.82228 1.11843 0.55812 -0.06905 0.00061  -0.02408 47 ARG A CZ  
311  N NH1 . ARG A 49 ? 0.55968 0.90378 0.30389 -0.08495 -0.00347 -0.01803 47 ARG A NH1 
312  N NH2 . ARG A 49 ? 0.70631 0.91985 0.39202 -0.08562 0.00601  -0.03314 47 ARG A NH2 
313  N N   . ALA A 50 ? 0.40288 0.69386 0.31440 0.14831  0.00485  -0.01681 48 ALA A N   
314  C CA  . ALA A 50 ? 0.49781 0.75820 0.41569 0.16842  -0.00385 -0.01034 48 ALA A CA  
315  C C   . ALA A 50 ? 0.40814 0.60490 0.31613 0.16412  0.00376  -0.01708 48 ALA A C   
316  O O   . ALA A 50 ? 0.58588 0.77234 0.49691 0.16413  0.00111  -0.01516 48 ALA A O   
317  C CB  . ALA A 50 ? 0.31764 0.52937 0.22403 0.16908  -0.00298 -0.00532 48 ALA A CB  
318  N N   . ILE A 51 ? 0.28202 0.42774 0.16853 0.15697  0.01364  -0.02426 49 ILE A N   
319  C CA  . ILE A 51 ? 0.44362 0.52416 0.31210 0.15112  0.02070  -0.02873 49 ILE A CA  
320  C C   . ILE A 51 ? 0.50755 0.60039 0.34699 0.12748  0.02438  -0.03671 49 ILE A C   
321  O O   . ILE A 51 ? 0.46797 0.53506 0.30863 0.13001  0.02556  -0.03738 49 ILE A O   
322  C CB  . ILE A 51 ? 0.37466 0.39379 0.21672 0.14503  0.02942  -0.03223 49 ILE A CB  
323  C CG1 . ILE A 51 ? 0.38568 0.39091 0.25720 0.15391  0.02224  -0.01946 49 ILE A CG1 
324  C CG2 . ILE A 51 ? 0.42784 0.38256 0.24403 0.13452  0.03728  -0.03570 49 ILE A CG2 
325  C CD1 . ILE A 51 ? 0.48264 0.44131 0.33655 0.14933  0.02968  -0.02006 49 ILE A CD1 
326  N N   . GLU A 52 ? 0.53386 0.66537 0.34839 0.09597  0.02228  -0.03881 50 GLU A N   
327  C CA  . GLU A 52 ? 0.42328 0.56882 0.21355 0.06179  0.01971  -0.04077 50 GLU A CA  
328  C C   . GLU A 52 ? 0.57967 0.78264 0.41074 0.07549  0.01345  -0.03490 50 GLU A C   
329  O O   . GLU A 52 ? 0.41882 0.61125 0.24033 0.06452  0.01337  -0.03696 50 GLU A O   
330  C CB  . GLU A 52 ? 0.38062 0.55247 0.14472 0.02175  0.01563  -0.03946 50 GLU A CB  
331  C CG  . GLU A 52 ? 0.74839 0.85163 0.45771 0.00042  0.02230  -0.04633 50 GLU A CG  
332  C CD  . GLU A 52 ? 0.74780 0.88073 0.44276 -0.03244 0.01644  -0.04287 50 GLU A CD  
333  O OE1 . GLU A 52 ? 0.60554 0.81779 0.33930 -0.03181 0.00886  -0.03468 50 GLU A OE1 
334  O OE2 . GLU A 52 ? 0.91487 0.99568 0.56551 -0.05689 0.01998  -0.04778 50 GLU A OE2 
335  N N   . ALA A 53 ? 0.52101 0.78226 0.39540 0.10057  0.00869  -0.02745 51 ALA A N   
336  C CA  . ALA A 53 ? 0.36907 0.68136 0.27903 0.11737  0.00393  -0.02154 51 ALA A CA  
337  C C   . ALA A 53 ? 0.46232 0.72822 0.38145 0.14300  0.00318  -0.02184 51 ALA A C   
338  O O   . ALA A 53 ? 0.41466 0.69756 0.34271 0.14416  0.00047  -0.02026 51 ALA A O   
339  C CB  . ALA A 53 ? 0.37938 0.75586 0.32612 0.14070  -0.00207 -0.01216 51 ALA A CB  
340  N N   . GLN A 54 ? 0.37710 0.57804 0.29137 0.15582  0.00334  -0.02084 52 GLN A N   
341  C CA  . GLN A 54 ? 0.47220 0.61336 0.38678 0.15619  0.00197  -0.01704 52 GLN A CA  
342  C C   . GLN A 54 ? 0.53886 0.65159 0.44139 0.15084  0.00968  -0.02503 52 GLN A C   
343  O O   . GLN A 54 ? 0.59305 0.69226 0.50187 0.14982  0.00747  -0.02262 52 GLN A O   
344  C CB  . GLN A 54 ? 0.43352 0.52122 0.35098 0.14873  0.00357  -0.01242 52 GLN A CB  
345  C CG  . GLN A 54 ? 0.50301 0.60360 0.42157 0.14958  0.00111  -0.00804 52 GLN A CG  
346  C CD  . GLN A 54 ? 0.62397 0.69179 0.53437 0.15020  0.00237  -0.00506 52 GLN A CD  
347  O OE1 . GLN A 54 ? 0.64976 0.68864 0.56014 0.14570  0.00507  -0.00504 52 GLN A OE1 
348  N NE2 . GLN A 54 ? 0.82721 0.90083 0.72942 0.15579  0.00182  -0.00243 52 GLN A NE2 
349  N N   . GLN A 55 ? 0.42762 0.51714 0.29475 0.13548  0.01957  -0.03490 53 GLN A N   
350  C CA  . GLN A 55 ? 0.59826 0.63929 0.42854 0.11715  0.02599  -0.04170 53 GLN A CA  
351  C C   . GLN A 55 ? 0.60343 0.68736 0.42524 0.09624  0.02150  -0.04340 53 GLN A C   
352  O O   . GLN A 55 ? 0.60030 0.65164 0.41496 0.08985  0.02279  -0.04452 53 GLN A O   
353  C CB  . GLN A 55 ? 0.39562 0.38925 0.17644 0.09247  0.03262  -0.04756 53 GLN A CB  
354  C CG  . GLN A 55 ? 0.39654 0.32151 0.13914 0.07135  0.03877  -0.05102 53 GLN A CG  
355  C CD  . GLN A 55 ? 0.84811 0.72289 0.61467 0.09769  0.04302  -0.04521 53 GLN A CD  
356  O OE1 . GLN A 55 ? 0.83395 0.71652 0.64581 0.11879  0.03867  -0.03436 53 GLN A OE1 
357  N NE2 . GLN A 55 ? 0.80442 0.63826 0.54986 0.08532  0.04652  -0.04587 53 GLN A NE2 
358  N N   . HIS A 56 ? 0.49743 0.65269 0.33046 0.08192  0.01490  -0.03985 54 HIS A N   
359  C CA  . HIS A 56 ? 0.52390 0.72507 0.36287 0.06311  0.00960  -0.03737 54 HIS A CA  
360  C C   . HIS A 56 ? 0.58746 0.80177 0.46139 0.09407  0.00833  -0.03433 54 HIS A C   
361  O O   . HIS A 56 ? 0.31573 0.52401 0.18311 0.08436  0.00784  -0.03585 54 HIS A O   
362  C CB  . HIS A 56 ? 0.53906 0.81371 0.39341 0.04675  0.00386  -0.03088 54 HIS A CB  
363  C CG  . HIS A 56 ? 0.55771 0.88863 0.43048 0.03546  -0.00036 -0.02595 54 HIS A CG  
364  N ND1 . HIS A 56 ? 0.43902 0.83491 0.35553 0.06195  -0.00180 -0.01885 54 HIS A ND1 
365  C CD2 . HIS A 56 ? 0.56176 0.89208 0.41483 0.00213  -0.00243 -0.02672 54 HIS A CD2 
366  C CE1 . HIS A 56 ? 0.43867 0.87470 0.36248 0.04589  -0.00345 -0.01556 54 HIS A CE1 
367  N NE2 . HIS A 56 ? 0.42777 0.82619 0.31514 0.00875  -0.00472 -0.02004 54 HIS A NE2 
368  N N   . LEU A 57 ? 0.47688 0.70319 0.38526 0.12896  0.00601  -0.02889 55 LEU A N   
369  C CA  . LEU A 57 ? 0.54224 0.75775 0.46949 0.14822  -0.00082 -0.02224 55 LEU A CA  
370  C C   . LEU A 57 ? 0.47610 0.61780 0.39687 0.14737  0.00259  -0.02337 55 LEU A C   
371  O O   . LEU A 57 ? 0.47851 0.60953 0.40275 0.14575  0.00121  -0.02197 55 LEU A O   
372  C CB  . LEU A 57 ? 0.38624 0.58861 0.31071 0.15340  -0.00474 -0.01409 55 LEU A CB  
373  C CG  . LEU A 57 ? 0.44778 0.61692 0.37352 0.14979  -0.00317 -0.01063 55 LEU A CG  
374  C CD1 . LEU A 57 ? 0.56260 0.77009 0.48665 0.15256  -0.00463 -0.01082 55 LEU A CD1 
375  C CD2 . LEU A 57 ? 0.55554 0.72370 0.47217 0.15618  -0.00231 -0.00648 55 LEU A CD2 
376  N N   . LEU A 58 ? 0.32237 0.41448 0.23476 0.14555  0.00697  -0.02410 56 LEU A N   
377  C CA  . LEU A 58 ? 0.40202 0.43327 0.31273 0.13832  0.00981  -0.02122 56 LEU A CA  
378  C C   . LEU A 58 ? 0.54326 0.55772 0.42872 0.13468  0.01713  -0.03103 56 LEU A C   
379  O O   . LEU A 58 ? 0.42700 0.40866 0.31799 0.13106  0.01661  -0.02634 56 LEU A O   
380  C CB  . LEU A 58 ? 0.54485 0.53760 0.45270 0.13268  0.01332  -0.01811 56 LEU A CB  
381  C CG  . LEU A 58 ? 0.42968 0.38329 0.34727 0.11844  0.01592  -0.01273 56 LEU A CG  
382  C CD1 . LEU A 58 ? 0.50014 0.46169 0.42405 0.11938  0.01132  -0.00640 56 LEU A CD1 
383  C CD2 . LEU A 58 ? 0.46392 0.39564 0.37260 0.11784  0.01918  -0.00946 56 LEU A CD2 
384  N N   . GLN A 59 ? 0.41248 0.44852 0.26240 0.11375  0.02065  -0.04060 57 GLN A N   
385  C CA  . GLN A 59 ? 0.45594 0.47159 0.27728 0.08231  0.02087  -0.04351 57 GLN A CA  
386  C C   . GLN A 59 ? 0.44131 0.50024 0.28133 0.08276  0.01553  -0.04198 57 GLN A C   
387  O O   . GLN A 59 ? 0.42575 0.45357 0.25776 0.07405  0.01623  -0.04220 57 GLN A O   
388  C CB  . GLN A 59 ? 0.50738 0.53520 0.29032 0.04389  0.02018  -0.04768 57 GLN A CB  
389  C CG  . GLN A 59 ? 0.72554 0.74492 0.47613 0.00651  0.01862  -0.05045 57 GLN A CG  
390  C CD  . GLN A 59 ? 0.85010 0.78034 0.57039 0.00028  0.02634  -0.05226 57 GLN A CD  
391  O OE1 . GLN A 59 ? 1.01965 0.90067 0.69396 -0.02380 0.03163  -0.05594 57 GLN A OE1 
392  N NE2 . GLN A 59 ? 0.77133 0.67914 0.51426 0.02212  0.02763  -0.04880 57 GLN A NE2 
393  N N   . LEU A 60 ? 0.36169 0.49218 0.22533 0.09431  0.01102  -0.03964 58 LEU A N   
394  C CA  . LEU A 60 ? 0.26922 0.44234 0.14969 0.09889  0.00746  -0.03759 58 LEU A CA  
395  C C   . LEU A 60 ? 0.33689 0.47180 0.23804 0.12590  0.00866  -0.03557 58 LEU A C   
396  O O   . LEU A 60 ? 0.65121 0.78663 0.55358 0.12095  0.00728  -0.03556 58 LEU A O   
397  C CB  . LEU A 60 ? 0.42407 0.67058 0.33532 0.10849  0.00289  -0.03110 58 LEU A CB  
398  C CG  . LEU A 60 ? 0.49441 0.78790 0.39803 0.07967  0.00079  -0.02925 58 LEU A CG  
399  C CD1 . LEU A 60 ? 0.43962 0.80479 0.37992 0.09928  -0.00156 -0.02152 58 LEU A CD1 
400  C CD2 . LEU A 60 ? 0.59999 0.90096 0.48213 0.04029  -0.00137 -0.03026 58 LEU A CD2 
401  N N   . THR A 61 ? 0.34736 0.44208 0.26618 0.13893  0.00534  -0.02744 59 THR A N   
402  C CA  . THR A 61 ? 0.32320 0.37556 0.25351 0.13242  0.00263  -0.01921 59 THR A CA  
403  C C   . THR A 61 ? 0.55508 0.56342 0.47767 0.12720  0.00670  -0.02012 59 THR A C   
404  O O   . THR A 61 ? 0.43672 0.43078 0.36989 0.11940  0.00546  -0.01581 59 THR A O   
405  C CB  . THR A 61 ? 0.44444 0.47603 0.38605 0.12308  0.00252  -0.01300 59 THR A CB  
406  O OG1 . THR A 61 ? 0.48935 0.50108 0.42766 0.12126  0.00547  -0.01323 59 THR A OG1 
407  C CG2 . THR A 61 ? 0.31982 0.38303 0.25709 0.13097  -0.00026 -0.01210 59 THR A CG2 
408  N N   . VAL A 62 ? 0.50544 0.48662 0.40272 0.12740  0.01367  -0.02689 60 VAL A N   
409  C CA  . VAL A 62 ? 0.37873 0.30566 0.25684 0.11879  0.01883  -0.02678 60 VAL A CA  
410  C C   . VAL A 62 ? 0.61222 0.54964 0.47276 0.10309  0.01813  -0.03281 60 VAL A C   
411  O O   . VAL A 62 ? 0.57317 0.48412 0.43646 0.10398  0.01826  -0.02929 60 VAL A O   
412  C CB  . VAL A 62 ? 0.40232 0.28250 0.24603 0.11018  0.02700  -0.03038 60 VAL A CB  
413  C CG1 . VAL A 62 ? 0.67110 0.49356 0.48486 0.09514  0.03288  -0.02954 60 VAL A CG1 
414  C CG2 . VAL A 62 ? 0.54328 0.42710 0.41910 0.11035  0.02386  -0.01803 60 VAL A CG2 
415  N N   . TRP A 63 ? 0.58392 0.56838 0.43195 0.08035  0.01482  -0.03775 61 TRP A N   
416  C CA  . TRP A 63 ? 0.54911 0.55663 0.38726 0.05644  0.01113  -0.03950 61 TRP A CA  
417  C C   . TRP A 63 ? 0.54252 0.58179 0.41104 0.07635  0.00742  -0.03672 61 TRP A C   
418  O O   . TRP A 63 ? 0.45094 0.48295 0.31593 0.06545  0.00586  -0.03627 61 TRP A O   
419  C CB  . TRP A 63 ? 0.49684 0.55851 0.31738 0.02811  0.00765  -0.04295 61 TRP A CB  
420  C CG  . TRP A 63 ? 0.62926 0.65167 0.40733 -0.00234 0.01081  -0.04655 61 TRP A CG  
421  C CD1 . TRP A 63 ? 0.69621 0.64020 0.44441 -0.01172 0.01707  -0.04751 61 TRP A CD1 
422  C CD2 . TRP A 63 ? 0.82543 0.88220 0.58164 -0.02749 0.00868  -0.04884 61 TRP A CD2 
423  N NE1 . TRP A 63 ? 0.95344 0.87398 0.65825 -0.04113 0.01972  -0.05157 61 TRP A NE1 
424  C CE2 . TRP A 63 ? 0.75625 0.74604 0.46527 -0.05349 0.01382  -0.05258 61 TRP A CE2 
425  C CE3 . TRP A 63 ? 0.58150 0.71576 0.35604 -0.02955 0.00327  -0.04575 61 TRP A CE3 
426  C CZ2 . TRP A 63 ? 0.58273 0.58126 0.27022 -0.08059 0.01213  -0.05302 61 TRP A CZ2 
427  C CZ3 . TRP A 63 ? 0.59124 0.73271 0.34878 -0.05680 0.00153  -0.04453 61 TRP A CZ3 
428  C CH2 . TRP A 63 ? 0.61987 0.69544 0.33388 -0.08232 0.00535  -0.04874 61 TRP A CH2 
429  N N   . GLY A 64 ? 0.59468 0.66565 0.48961 0.10537  0.00647  -0.03482 62 GLY A N   
430  C CA  . GLY A 64 ? 0.26025 0.35367 0.17686 0.12526  0.00429  -0.03254 62 GLY A CA  
431  C C   . GLY A 64 ? 0.53803 0.57570 0.46343 0.12875  0.00271  -0.02570 62 GLY A C   
432  O O   . GLY A 64 ? 0.40583 0.44761 0.33720 0.12782  0.00026  -0.02377 62 GLY A O   
433  N N   . ILE A 65 ? 0.37226 0.36434 0.29901 0.12115  0.00408  -0.01955 63 ILE A N   
434  C CA  . ILE A 65 ? 0.48781 0.44917 0.42866 0.10704  0.00415  -0.01168 63 ILE A CA  
435  C C   . ILE A 65 ? 0.47415 0.40705 0.39707 0.10717  0.00619  -0.01336 63 ILE A C   
436  O O   . ILE A 65 ? 0.48744 0.41565 0.42150 0.10035  0.00442  -0.00903 63 ILE A O   
437  C CB  . ILE A 65 ? 0.32011 0.26548 0.26954 0.09869  0.00602  -0.00643 63 ILE A CB  
438  C CG1 . ILE A 65 ? 0.40109 0.36197 0.34983 0.10403  0.00376  -0.00471 63 ILE A CG1 
439  C CG2 . ILE A 65 ? 0.32579 0.24988 0.27541 0.09321  0.00733  -0.00061 63 ILE A CG2 
440  C CD1 . ILE A 65 ? 0.42338 0.37178 0.36921 0.10337  0.00591  -0.00088 63 ILE A CD1 
441  N N   . LYS A 66 ? 0.44936 0.35733 0.33726 0.10738  0.01164  -0.02193 64 LYS A N   
442  C CA  . LYS A 66 ? 0.43325 0.31351 0.29972 0.08378  0.01278  -0.02146 64 LYS A CA  
443  C C   . LYS A 66 ? 0.53276 0.45283 0.40482 0.07228  0.00712  -0.02413 64 LYS A C   
444  O O   . LYS A 66 ? 0.54488 0.44421 0.41469 0.06526  0.00630  -0.02063 64 LYS A O   
445  C CB  . LYS A 66 ? 0.49872 0.35880 0.32857 0.05780  0.01702  -0.02648 64 LYS A CB  
446  C CG  . LYS A 66 ? 0.78736 0.65713 0.59156 0.02367  0.01463  -0.03096 64 LYS A CG  
447  C CD  . LYS A 66 ? 0.97510 0.79106 0.76315 0.01532  0.01797  -0.02607 64 LYS A CD  
448  C CE  . LYS A 66 ? 0.97230 0.80252 0.73682 -0.01869 0.01436  -0.03048 64 LYS A CE  
449  N NZ  . LYS A 66 ? 0.66308 0.56508 0.45295 -0.01920 0.00633  -0.03311 64 LYS A NZ  
450  N N   . GLN A 67 ? 0.49481 0.47427 0.37368 0.07092  0.00374  -0.02921 65 GLN A N   
451  C CA  . GLN A 67 ? 0.57637 0.59897 0.46079 0.06323  -0.00042 -0.03085 65 GLN A CA  
452  C C   . GLN A 67 ? 0.57331 0.58618 0.47843 0.08484  -0.00197 -0.02654 65 GLN A C   
453  O O   . GLN A 67 ? 0.40485 0.41558 0.30796 0.07458  -0.00409 -0.02559 65 GLN A O   
454  C CB  . GLN A 67 ? 0.59366 0.68603 0.48381 0.06464  -0.00210 -0.03410 65 GLN A CB  
455  C CG  . GLN A 67 ? 0.73995 0.86595 0.60745 0.02967  -0.00411 -0.03719 65 GLN A CG  
456  C CD  . GLN A 67 ? 1.02752 1.17401 0.89131 0.01282  -0.00715 -0.03715 65 GLN A CD  
457  O OE1 . GLN A 67 ? 0.92776 1.02836 0.78312 0.00344  -0.00714 -0.03642 65 GLN A OE1 
458  N NE2 . GLN A 67 ? 0.98280 1.20111 0.85331 0.01026  -0.00931 -0.03667 65 GLN A NE2 
459  N N   . LEU A 68 ? 0.41791 0.42276 0.34027 0.11291  -0.00123 -0.02361 66 LEU A N   
460  C CA  . LEU A 68 ? 0.45140 0.44341 0.38877 0.11641  -0.00386 -0.01655 66 LEU A CA  
461  C C   . LEU A 68 ? 0.47859 0.42850 0.41639 0.10517  -0.00366 -0.01021 66 LEU A C   
462  O O   . LEU A 68 ? 0.40056 0.34769 0.34268 0.10185  -0.00584 -0.00768 66 LEU A O   
463  C CB  . LEU A 68 ? 0.39033 0.38138 0.34266 0.10769  -0.00318 -0.01099 66 LEU A CB  
464  C CG  . LEU A 68 ? 0.46198 0.48589 0.41116 0.11593  -0.00374 -0.01355 66 LEU A CG  
465  C CD1 . LEU A 68 ? 0.41984 0.43332 0.36909 0.11378  -0.00314 -0.01022 66 LEU A CD1 
466  C CD2 . LEU A 68 ? 0.40949 0.44872 0.35508 0.12041  -0.00475 -0.01424 66 LEU A CD2 
467  N N   . GLN A 69 ? 0.36112 0.28194 0.29512 0.09756  -0.00042 -0.00671 67 GLN A N   
468  C CA  . GLN A 69 ? 0.35653 0.25162 0.29624 0.08430  0.00075  0.00066  67 GLN A CA  
469  C C   . GLN A 69 ? 0.40667 0.27196 0.31666 0.08497  -0.00023 -0.00113 67 GLN A C   
470  O O   . GLN A 69 ? 0.49926 0.35777 0.41932 0.07500  -0.00135 0.00569  67 GLN A O   
471  C CB  . GLN A 69 ? 0.49089 0.37030 0.43214 0.07714  0.00498  0.00380  67 GLN A CB  
472  C CG  . GLN A 69 ? 0.63601 0.53188 0.59326 0.07818  0.00501  0.00615  67 GLN A CG  
473  C CD  . GLN A 69 ? 0.66542 0.54393 0.61362 0.07751  0.00980  0.00916  67 GLN A CD  
474  O OE1 . GLN A 69 ? 0.78767 0.64471 0.72163 0.07341  0.01304  0.00812  67 GLN A OE1 
475  N NE2 . GLN A 69 ? 0.56665 0.45138 0.51928 0.08102  0.01117  0.01269  67 GLN A NE2 
476  N N   . ALA A 70 ? 0.40206 0.28917 0.29375 0.06844  -0.00024 -0.01038 68 ALA A N   
477  C CA  . ALA A 70 ? 0.50510 0.39716 0.38189 0.04321  -0.00217 -0.01255 68 ALA A CA  
478  C C   . ALA A 70 ? 0.51577 0.44582 0.40755 0.04674  -0.00729 -0.01401 68 ALA A C   
479  O O   . ALA A 70 ? 0.31749 0.23910 0.20579 0.03467  -0.00945 -0.01142 68 ALA A O   
480  C CB  . ALA A 70 ? 0.49397 0.40400 0.34573 0.01762  -0.00125 -0.02055 68 ALA A CB  
481  N N   . ARG A 71 ? 0.30925 0.27887 0.21528 0.06438  -0.00840 -0.01770 69 ARG A N   
482  C CA  . ARG A 71 ? 0.33537 0.33675 0.25029 0.07107  -0.01113 -0.01913 69 ARG A CA  
483  C C   . ARG A 71 ? 0.31421 0.28184 0.23869 0.08314  -0.01314 -0.01198 69 ARG A C   
484  O O   . ARG A 71 ? 0.54303 0.51505 0.46625 0.07638  -0.01563 -0.01126 69 ARG A O   
485  C CB  . ARG A 71 ? 0.20946 0.25683 0.13268 0.09063  -0.00973 -0.02348 69 ARG A CB  
486  C CG  . ARG A 71 ? 0.51433 0.60882 0.42941 0.07673  -0.00879 -0.02845 69 ARG A CG  
487  C CD  . ARG A 71 ? 0.36955 0.51092 0.29470 0.10039  -0.00648 -0.02994 69 ARG A CD  
488  N NE  . ARG A 71 ? 0.40560 0.57336 0.33561 0.11634  -0.00537 -0.02978 69 ARG A NE  
489  C CZ  . ARG A 71 ? 0.47450 0.67576 0.41118 0.13539  -0.00473 -0.02724 69 ARG A CZ  
490  N NH1 . ARG A 71 ? 0.23630 0.45060 0.17475 0.13874  -0.00625 -0.02448 69 ARG A NH1 
491  N NH2 . ARG A 71 ? 0.46992 0.67598 0.40343 0.14245  -0.00589 -0.02404 69 ARG A NH2 
492  N N   . ILE A 72 ? 0.31169 0.24735 0.24471 0.09936  -0.01245 -0.00574 70 ILE A N   
493  C CA  . ILE A 72 ? 0.38373 0.30795 0.33305 0.08816  -0.01266 0.00233  70 ILE A CA  
494  C C   . ILE A 72 ? 0.40524 0.30173 0.35206 0.07650  -0.01385 0.00979  70 ILE A C   
495  O O   . ILE A 72 ? 0.40126 0.29582 0.35561 0.06964  -0.01601 0.01480  70 ILE A O   
496  C CB  . ILE A 72 ? 0.35821 0.29029 0.33187 0.07830  -0.00916 0.00594  70 ILE A CB  
497  C CG1 . ILE A 72 ? 0.34413 0.26973 0.32095 0.07447  -0.01080 0.01073  70 ILE A CG1 
498  C CG2 . ILE A 72 ? 0.47499 0.39549 0.45126 0.07418  -0.00676 0.00875  70 ILE A CG2 
499  C CD1 . ILE A 72 ? 0.42291 0.35422 0.39318 0.07833  -0.01258 0.00795  70 ILE A CD1 
500  N N   . LEU A 73 ? 0.40429 0.27699 0.33732 0.07216  -0.01154 0.01110  71 LEU A N   
501  C CA  . LEU A 73 ? 0.50849 0.35710 0.43727 0.05745  -0.01066 0.01863  71 LEU A CA  
502  C C   . LEU A 73 ? 0.45467 0.30245 0.36449 0.04385  -0.01513 0.01569  71 LEU A C   
503  O O   . LEU A 73 ? 0.41915 0.24944 0.32870 0.03572  -0.01713 0.02391  71 LEU A O   
504  C CB  . LEU A 73 ? 0.31392 0.14075 0.23030 0.05073  -0.00455 0.01920  71 LEU A CB  
505  C CG  . LEU A 73 ? 0.42668 0.23721 0.34119 0.03704  -0.00169 0.02588  71 LEU A CG  
506  C CD1 . LEU A 73 ? 0.42915 0.27005 0.38841 0.03720  -0.00440 0.03462  71 LEU A CD1 
507  C CD2 . LEU A 73 ? 0.47339 0.26274 0.37032 0.03297  0.00511  0.02439  71 LEU A CD2 
508  N N   . ALA A 74 ? 0.37436 0.26041 0.27741 0.03514  -0.01565 0.00370  72 ALA A N   
509  C CA  . ALA A 74 ? 0.41020 0.32058 0.30631 0.01683  -0.01876 -0.00066 72 ALA A CA  
510  C C   . ALA A 74 ? 0.44636 0.36540 0.35429 0.02676  -0.02261 0.00200  72 ALA A C   
511  O O   . ALA A 74 ? 0.58480 0.50287 0.48866 0.01279  -0.02541 0.00403  72 ALA A O   
512  C CB  . ALA A 74 ? 0.25747 0.21571 0.14575 0.00755  -0.01829 -0.01155 72 ALA A CB  
513  N N   . VAL A 75 ? 0.52239 0.44624 0.44136 0.04969  -0.02266 0.00207  73 VAL A N   
514  C CA  . VAL A 75 ? 0.33633 0.25929 0.25882 0.05809  -0.02576 0.00452  73 VAL A CA  
515  C C   . VAL A 75 ? 0.40271 0.28672 0.33010 0.05502  -0.02925 0.01796  73 VAL A C   
516  O O   . VAL A 75 ? 0.68183 0.56090 0.60649 0.04652  -0.03298 0.02184  73 VAL A O   
517  C CB  . VAL A 75 ? 0.30466 0.24003 0.23049 0.08283  -0.02398 0.00036  73 VAL A CB  
518  C CG1 . VAL A 75 ? 0.47398 0.39523 0.39538 0.09035  -0.02662 0.00349  73 VAL A CG1 
519  C CG2 . VAL A 75 ? 0.33408 0.31658 0.25590 0.08699  -0.02012 -0.01027 73 VAL A CG2 
520  N N   . GLU A 76 ? 0.45263 0.32530 0.39485 0.05585  -0.02497 0.02448  74 GLU A N   
521  C CA  . GLU A 76 ? 0.47439 0.35336 0.44291 0.04352  -0.02033 0.03515  74 GLU A CA  
522  C C   . GLU A 76 ? 0.46586 0.32731 0.42226 0.03168  -0.02213 0.04062  74 GLU A C   
523  O O   . GLU A 76 ? 0.40753 0.27429 0.37262 0.02578  -0.02066 0.04721  74 GLU A O   
524  C CB  . GLU A 76 ? 0.32090 0.21080 0.31367 0.04297  -0.01474 0.03848  74 GLU A CB  
525  C CG  . GLU A 76 ? 0.41934 0.31804 0.41503 0.05034  -0.01540 0.03373  74 GLU A CG  
526  C CD  . GLU A 76 ? 0.44690 0.34366 0.44684 0.05245  -0.01392 0.03397  74 GLU A CD  
527  O OE1 . GLU A 76 ? 0.42918 0.31627 0.42723 0.04976  -0.01270 0.03623  74 GLU A OE1 
528  O OE2 . GLU A 76 ? 0.60211 0.50449 0.60324 0.05692  -0.01366 0.03184  74 GLU A OE2 
529  N N   . ARG A 77 ? 0.45743 0.29584 0.38904 0.02552  -0.02417 0.03783  75 ARG A N   
530  C CA  . ARG A 77 ? 0.43817 0.26099 0.35701 0.00735  -0.02515 0.04228  75 ARG A CA  
531  C C   . ARG A 77 ? 0.50931 0.34494 0.41795 -0.00604 -0.03223 0.03803  75 ARG A C   
532  O O   . ARG A 77 ? 0.49033 0.31597 0.39574 -0.01990 -0.03481 0.04522  75 ARG A O   
533  C CB  . ARG A 77 ? 0.33926 0.13888 0.23263 -0.00371 -0.02155 0.03865  75 ARG A CB  
534  C CG  . ARG A 77 ? 0.51999 0.32471 0.43392 0.00649  -0.01156 0.04123  75 ARG A CG  
535  C CD  . ARG A 77 ? 0.40523 0.18115 0.28454 -0.00323 -0.00776 0.03492  75 ARG A CD  
536  N NE  . ARG A 77 ? 0.59212 0.37003 0.48693 0.00472  -0.00025 0.03822  75 ARG A NE  
537  C CZ  . ARG A 77 ? 0.48658 0.24065 0.35397 0.00005  0.00514  0.03302  75 ARG A CZ  
538  N NH1 . ARG A 77 ? 0.64854 0.37754 0.47358 -0.01688 0.00451  0.02429  75 ARG A NH1 
539  N NH2 . ARG A 77 ? 0.55818 0.31329 0.43825 0.00824  0.01025  0.03691  75 ARG A NH2 
540  N N   . TYR A 78 ? 0.50331 0.37233 0.41188 -0.00100 -0.03281 0.02533  76 TYR A N   
541  C CA  . TYR A 78 ? 0.30356 0.19766 0.20736 -0.01049 -0.03588 0.01936  76 TYR A CA  
542  C C   . TYR A 78 ? 0.63986 0.51896 0.54825 -0.00703 -0.04049 0.02810  76 TYR A C   
543  O O   . TYR A 78 ? 0.37134 0.25007 0.27488 -0.02227 -0.04379 0.03096  76 TYR A O   
544  C CB  . TYR A 78 ? 0.54087 0.47503 0.44274 -0.00034 -0.03342 0.00632  76 TYR A CB  
545  C CG  . TYR A 78 ? 0.61359 0.57321 0.50949 -0.00298 -0.03459 0.00110  76 TYR A CG  
546  C CD1 . TYR A 78 ? 0.55138 0.53609 0.43897 -0.02321 -0.03517 -0.00326 76 TYR A CD1 
547  C CD2 . TYR A 78 ? 0.58237 0.53822 0.47712 0.01440  -0.03453 0.00076  76 TYR A CD2 
548  C CE1 . TYR A 78 ? 0.57435 0.58335 0.45577 -0.02405 -0.03517 -0.00746 76 TYR A CE1 
549  C CE2 . TYR A 78 ? 0.56752 0.54136 0.45176 0.01383  -0.03381 -0.00404 76 TYR A CE2 
550  C CZ  . TYR A 78 ? 0.64798 0.65024 0.52714 -0.00438 -0.03389 -0.00799 76 TYR A CZ  
551  O OH  . TYR A 78 ? 0.63764 0.65894 0.50573 -0.00345 -0.03218 -0.01223 76 TYR A OH  
552  N N   . LEU A 79 ? 0.60010 0.46632 0.51558 0.01081  -0.04123 0.03283  77 LEU A N   
553  C CA  . LEU A 79 ? 0.56637 0.41641 0.48155 0.01066  -0.04644 0.04211  77 LEU A CA  
554  C C   . LEU A 79 ? 0.45603 0.30973 0.39000 -0.00115 -0.04202 0.05120  77 LEU A C   
555  O O   . LEU A 79 ? 0.47325 0.33070 0.40970 -0.00784 -0.04339 0.05454  77 LEU A O   
556  C CB  . LEU A 79 ? 0.27721 0.13410 0.20386 0.02737  -0.04149 0.03963  77 LEU A CB  
557  C CG  . LEU A 79 ? 0.39308 0.25265 0.30192 0.04677  -0.04219 0.02859  77 LEU A CG  
558  C CD1 . LEU A 79 ? 0.39813 0.26706 0.32177 0.05439  -0.03543 0.02646  77 LEU A CD1 
559  C CD2 . LEU A 79 ? 0.52425 0.39780 0.41699 0.04185  -0.04164 0.02022  77 LEU A CD2 
560  N N   . LYS A 80 ? 0.40480 0.26032 0.34916 -0.00087 -0.03461 0.05346  78 LYS A N   
561  C CA  . LYS A 80 ? 0.46874 0.32956 0.42446 -0.00499 -0.02713 0.06006  78 LYS A CA  
562  C C   . LYS A 80 ? 0.56172 0.41507 0.50530 -0.02275 -0.03360 0.06085  78 LYS A C   
563  O O   . LYS A 80 ? 0.47840 0.33737 0.42749 -0.02777 -0.03259 0.06534  78 LYS A O   
564  C CB  . LYS A 80 ? 0.30466 0.16610 0.27040 0.00591  -0.01357 0.06295  78 LYS A CB  
565  N N   . ASP A 81 ? 0.47974 0.32062 0.40242 -0.03436 -0.03950 0.05632  79 ASP A N   
566  C CA  . ASP A 81 ? 0.58131 0.41954 0.48903 -0.05591 -0.04303 0.05581  79 ASP A CA  
567  C C   . ASP A 81 ? 0.57366 0.42013 0.47449 -0.06801 -0.05084 0.05595  79 ASP A C   
568  O O   . ASP A 81 ? 0.82757 0.68059 0.72556 -0.08207 -0.05227 0.05629  79 ASP A O   
569  C CB  . ASP A 81 ? 0.62812 0.46309 0.51369 -0.06970 -0.04235 0.04727  79 ASP A CB  
570  C CG  . ASP A 81 ? 0.68492 0.49897 0.56673 -0.06340 -0.03532 0.04867  79 ASP A CG  
571  O OD1 . ASP A 81 ? 0.58194 0.39888 0.48760 -0.04399 -0.02797 0.05409  79 ASP A OD1 
572  O OD2 . ASP A 81 ? 0.49704 0.31384 0.36132 -0.07432 -0.03297 0.03910  79 ASP A OD2 
573  N N   . GLN A 82 ? 0.53054 0.38304 0.42980 -0.05824 -0.05350 0.05220  80 GLN A N   
574  C CA  . GLN A 82 ? 0.58972 0.45331 0.48119 -0.06515 -0.05727 0.04858  80 GLN A CA  
575  C C   . GLN A 82 ? 0.87365 0.72994 0.77413 -0.07008 -0.06074 0.05904  80 GLN A C   
576  O O   . GLN A 82 ? 0.80024 0.65861 0.68988 -0.08211 -0.06504 0.05877  80 GLN A O   
577  C CB  . GLN A 82 ? 0.50182 0.37560 0.38824 -0.04676 -0.05524 0.03845  80 GLN A CB  
578  C CG  . GLN A 82 ? 0.58336 0.49037 0.46486 -0.03950 -0.04942 0.02234  80 GLN A CG  
579  C CD  . GLN A 82 ? 0.82246 0.74126 0.69216 -0.02357 -0.04642 0.01334  80 GLN A CD  
580  O OE1 . GLN A 82 ? 0.93222 0.88415 0.79502 -0.02001 -0.04181 0.00276  80 GLN A OE1 
581  N NE2 . GLN A 82 ? 0.86138 0.75265 0.72590 -0.01384 -0.04846 0.01868  80 GLN A NE2 
582  N N   . GLN A 83 ? 0.83931 0.70202 0.76312 -0.05719 -0.05468 0.06278  81 GLN A N   
583  C CA  . GLN A 83 ? 0.68858 0.56107 0.62493 -0.05759 -0.05397 0.06791  81 GLN A CA  
584  C C   . GLN A 83 ? 0.66242 0.53891 0.60355 -0.06388 -0.05158 0.07155  81 GLN A C   
585  O O   . GLN A 83 ? 0.93278 0.81526 0.88497 -0.06077 -0.04890 0.07775  81 GLN A O   
586  C CB  . GLN A 83 ? 0.65442 0.53168 0.60620 -0.04223 -0.04672 0.07113  81 GLN A CB  
587  C CG  . GLN A 83 ? 0.63084 0.50331 0.57853 -0.03285 -0.04669 0.06695  81 GLN A CG  
588  C CD  . GLN A 83 ? 1.06902 0.93401 1.00031 -0.04033 -0.05490 0.06458  81 GLN A CD  
589  O OE1 . GLN A 83 ? 1.10562 0.97313 1.03875 -0.04159 -0.05585 0.06716  81 GLN A OE1 
590  N NE2 . GLN A 83 ? 0.97477 0.82673 0.88361 -0.04605 -0.06036 0.05988  81 GLN A NE2 
591  N N   . ARG B 6  ? 0.88743 1.31344 0.70105 -0.33126 -0.15179 -0.19760 4  ARG B N   
592  C CA  . ARG B 6  ? 0.89682 1.32156 0.67541 -0.30132 -0.13968 -0.18628 4  ARG B CA  
593  C C   . ARG B 6  ? 0.97732 1.32482 0.69618 -0.29225 -0.12977 -0.18305 4  ARG B C   
594  O O   . ARG B 6  ? 1.12737 1.45897 0.83489 -0.27503 -0.10342 -0.16714 4  ARG B O   
595  C CB  . ARG B 6  ? 1.07079 1.51494 0.82658 -0.26547 -0.15879 -0.18462 4  ARG B CB  
596  C CG  . ARG B 6  ? 1.05830 1.47569 0.77124 -0.22342 -0.14146 -0.16857 4  ARG B CG  
597  C CD  . ARG B 6  ? 1.21472 1.66457 0.92066 -0.18882 -0.15275 -0.16394 4  ARG B CD  
598  N NE  . ARG B 6  ? 1.04737 1.46108 0.70221 -0.15009 -0.13656 -0.15136 4  ARG B NE  
599  C CZ  . ARG B 6  ? 1.22088 1.65523 0.86590 -0.11447 -0.13499 -0.14236 4  ARG B CZ  
600  N NH1 . ARG B 6  ? 0.94730 1.44295 0.63233 -0.10915 -0.14908 -0.14242 4  ARG B NH1 
601  N NH2 . ARG B 6  ? 1.25997 1.65297 0.85273 -0.08311 -0.11806 -0.13272 4  ARG B NH2 
602  N N   . ILE B 7  ? 0.89559 1.17505 0.60062 -0.28123 -0.13908 -0.18286 5  ILE B N   
603  C CA  . ILE B 7  ? 0.78361 0.99224 0.44929 -0.26485 -0.12865 -0.17503 5  ILE B CA  
604  C C   . ILE B 7  ? 0.85678 1.06619 0.52280 -0.30152 -0.10822 -0.17704 5  ILE B C   
605  O O   . ILE B 7  ? 1.02482 1.20558 0.64895 -0.29455 -0.09371 -0.17047 5  ILE B O   
606  C CB  . ILE B 7  ? 0.75372 0.90168 0.42565 -0.23955 -0.14023 -0.17196 5  ILE B CB  
607  C CG1 . ILE B 7  ? 0.83265 0.97783 0.50395 -0.20829 -0.15936 -0.17273 5  ILE B CG1 
608  C CG2 . ILE B 7  ? 0.81921 0.91114 0.46126 -0.21674 -0.13169 -0.16377 5  ILE B CG2 
609  C CD1 . ILE B 7  ? 0.72869 0.82221 0.40848 -0.18134 -0.16969 -0.17241 5  ILE B CD1 
610  N N   . GLU B 8  ? 0.86229 1.10052 0.57482 -0.33997 -0.10452 -0.18539 6  GLU B N   
611  C CA  . GLU B 8  ? 0.94061 1.17120 0.66467 -0.37186 -0.07865 -0.18437 6  GLU B CA  
612  C C   . GLU B 8  ? 1.01706 1.27262 0.76180 -0.35321 -0.04767 -0.16379 6  GLU B C   
613  O O   . GLU B 8  ? 1.01848 1.24116 0.74951 -0.34790 -0.02063 -0.14980 6  GLU B O   
614  C CB  . GLU B 8  ? 0.93794 1.18885 0.71574 -0.41172 -0.07690 -0.19497 6  GLU B CB  
615  N N   . SER B 9  ? 1.09752 1.41158 0.87485 -0.34193 -0.05048 -0.16085 7  SER B N   
616  C CA  . SER B 9  ? 1.07045 1.40928 0.86695 -0.32247 -0.02089 -0.14149 7  SER B CA  
617  C C   . SER B 9  ? 0.96395 1.26325 0.70014 -0.28199 -0.01486 -0.12804 7  SER B C   
618  O O   . SER B 9  ? 0.94683 1.23401 0.67829 -0.26941 0.01491  -0.11090 7  SER B O   
619  C CB  . SER B 9  ? 0.96731 1.38204 0.81476 -0.31927 -0.02652 -0.14184 7  SER B CB  
620  O OG  . SER B 9  ? 1.08024 1.53737 0.98588 -0.35971 -0.02973 -0.15429 7  SER B OG  
621  N N   . LEU B 10 ? 0.82380 1.10187 0.51154 -0.26226 -0.04185 -0.13613 8  LEU B N   
622  C CA  . LEU B 10 ? 0.83659 1.07207 0.46075 -0.22854 -0.03718 -0.12674 8  LEU B CA  
623  C C   . LEU B 10 ? 0.97192 1.15214 0.56202 -0.23508 -0.02524 -0.12233 8  LEU B C   
624  O O   . LEU B 10 ? 0.90901 1.06568 0.46685 -0.21351 -0.00560 -0.10728 8  LEU B O   
625  C CB  . LEU B 10 ? 0.82884 1.05050 0.40772 -0.21069 -0.06784 -0.13911 8  LEU B CB  
626  C CG  . LEU B 10 ? 0.83702 1.08730 0.40973 -0.17803 -0.06801 -0.13251 8  LEU B CG  
627  C CD1 . LEU B 10 ? 0.86456 1.08780 0.39571 -0.14840 -0.04400 -0.11630 8  LEU B CD1 
628  C CD2 . LEU B 10 ? 0.83204 1.15279 0.47636 -0.18512 -0.06124 -0.12785 8  LEU B CD2 
629  N N   . ILE B 11 ? 0.88569 1.04547 0.48172 -0.26394 -0.03628 -0.13466 9  ILE B N   
630  C CA  . ILE B 11 ? 0.93307 1.04417 0.50308 -0.27041 -0.02296 -0.12885 9  ILE B CA  
631  C C   . ILE B 11 ? 0.99573 1.11358 0.59960 -0.27729 0.01461  -0.11117 9  ILE B C   
632  O O   . ILE B 11 ? 1.02140 1.10480 0.59573 -0.26525 0.03423  -0.09662 9  ILE B O   
633  C CB  . ILE B 11 ? 0.85582 0.94366 0.42629 -0.29975 -0.04256 -0.14669 9  ILE B CB  
634  C CG1 . ILE B 11 ? 1.03512 1.09529 0.58969 -0.26864 -0.06873 -0.14891 9  ILE B CG1 
635  C CG2 . ILE B 11 ? 0.84381 0.89130 0.40779 -0.31231 -0.02173 -0.13856 9  ILE B CG2 
636  C CD1 . ILE B 11 ? 0.78149 0.81738 0.37259 -0.27040 -0.07914 -0.15105 9  ILE B CD1 
637  N N   . ARG B 12 ? 0.86281 1.02634 0.52779 -0.29617 0.02588  -0.11181 10 ARG B N   
638  C CA  . ARG B 12 ? 0.90840 1.07804 0.60753 -0.30556 0.06391  -0.09648 10 ARG B CA  
639  C C   . ARG B 12 ? 1.11224 1.28298 0.79128 -0.27162 0.08625  -0.07581 10 ARG B C   
640  O O   . ARG B 12 ? 1.09745 1.23977 0.76338 -0.26572 0.11486  -0.05936 10 ARG B O   
641  C CB  . ARG B 12 ? 0.87836 1.10233 0.64819 -0.33575 0.06933  -0.10460 10 ARG B CB  
642  N N   . GLU B 13 ? 1.17889 1.38061 0.85339 -0.24816 0.07486  -0.07574 11 GLU B N   
643  C CA  . GLU B 13 ? 1.15496 1.35605 0.80730 -0.21575 0.09628  -0.05716 11 GLU B CA  
644  C C   . GLU B 13 ? 1.13984 1.28622 0.72089 -0.19302 0.09645  -0.04931 11 GLU B C   
645  O O   . GLU B 13 ? 1.21205 1.34433 0.77345 -0.17461 0.12261  -0.03109 11 GLU B O   
646  C CB  . GLU B 13 ? 1.11835 1.36032 0.77740 -0.19468 0.08356  -0.05969 11 GLU B CB  
647  C CG  . GLU B 13 ? 1.24702 1.55313 0.97820 -0.21367 0.08307  -0.06555 11 GLU B CG  
648  C CD  . GLU B 13 ? 1.49574 1.83629 1.22794 -0.19864 0.05524  -0.07514 11 GLU B CD  
649  O OE1 . GLU B 13 ? 1.44693 1.76057 1.12365 -0.16923 0.04423  -0.07414 11 GLU B OE1 
650  O OE2 . GLU B 13 ? 1.60562 2.00002 1.39258 -0.21653 0.04496  -0.08378 11 GLU B OE2 
651  N N   . ALA B 14 ? 1.14795 1.26510 0.68927 -0.19441 0.06775  -0.06299 12 ALA B N   
652  C CA  . ALA B 14 ? 1.10597 1.17625 0.58149 -0.17596 0.06645  -0.05705 12 ALA B CA  
653  C C   . ALA B 14 ? 1.11539 1.15495 0.59015 -0.18822 0.08584  -0.04652 12 ALA B C   
654  O O   . ALA B 14 ? 1.24548 1.25490 0.67437 -0.16995 0.09592  -0.03370 12 ALA B O   
655  C CB  . ALA B 14 ? 0.90999 0.96075 0.34446 -0.17452 0.03063  -0.07600 12 ALA B CB  
656  N N   . GLN B 15 ? 1.05278 1.09905 0.57568 -0.21883 0.09181  -0.05164 13 GLN B N   
657  C CA  . GLN B 15 ? 1.04294 1.05810 0.56787 -0.22964 0.11612  -0.03964 13 GLN B CA  
658  C C   . GLN B 15 ? 1.12469 1.14626 0.66589 -0.22006 0.15555  -0.01744 13 GLN B C   
659  O O   . GLN B 15 ? 1.12114 1.11027 0.63805 -0.21087 0.17773  -0.00028 13 GLN B O   
660  C CB  . GLN B 15 ? 1.03815 1.05375 0.60639 -0.26730 0.11289  -0.05344 13 GLN B CB  
661  N N   . ASN B 16 ? 1.17124 1.23514 0.75286 -0.22094 0.16526  -0.01676 14 ASN B N   
662  C CA  . ASN B 16 ? 1.09515 1.16611 0.69165 -0.21102 0.20347  0.00373  14 ASN B CA  
663  C C   . ASN B 16 ? 1.23802 1.29342 0.77873 -0.17349 0.20880  0.01887  14 ASN B C   
664  O O   . ASN B 16 ? 1.20620 1.23990 0.72915 -0.16101 0.23819  0.03900  14 ASN B O   
665  C CB  . ASN B 16 ? 1.20265 1.32820 0.86146 -0.22363 0.21185  -0.00085 14 ASN B CB  
666  C CG  . ASN B 16 ? 1.25403 1.39804 0.97019 -0.26444 0.21215  -0.01495 14 ASN B CG  
667  O OD1 . ASN B 16 ? 1.19705 1.31181 0.90492 -0.28334 0.20169  -0.02407 14 ASN B OD1 
668  N ND2 . ASN B 16 ? 1.29407 1.48824 1.06879 -0.27914 0.22475  -0.01736 14 ASN B ND2 
669  N N   . GLN B 17 ? 1.09228 1.15691 0.60255 -0.15553 0.18200  0.00935  15 GLN B N   
670  C CA  . GLN B 17 ? 1.03217 1.08023 0.48481 -0.12236 0.18645  0.02103  15 GLN B CA  
671  C C   . GLN B 17 ? 1.19266 1.19643 0.58804 -0.11332 0.18307  0.02762  15 GLN B C   
672  O O   . GLN B 17 ? 1.07242 1.05920 0.42787 -0.09111 0.20067  0.04468  15 GLN B O   
673  C CB  . GLN B 17 ? 1.01677 1.08113 0.44888 -0.10755 0.16018  0.00749  15 GLN B CB  
674  C CG  . GLN B 17 ? 1.13471 1.18110 0.50474 -0.07558 0.16535  0.01669  15 GLN B CG  
675  C CD  . GLN B 17 ? 1.15795 1.21571 0.53931 -0.06054 0.20148  0.03696  15 GLN B CD  
676  O OE1 . GLN B 17 ? 1.23435 1.32752 0.65663 -0.05872 0.21092  0.03757  15 GLN B OE1 
677  N NE2 . GLN B 17 ? 1.09741 1.12667 0.44262 -0.04902 0.22222  0.05429  15 GLN B NE2 
678  N N   . GLN B 18 ? 1.05577 1.04247 0.44649 -0.12997 0.16099  0.01477  16 GLN B N   
679  C CA  . GLN B 18 ? 1.05381 1.00342 0.39605 -0.12202 0.15847  0.02193  16 GLN B CA  
680  C C   . GLN B 18 ? 1.27144 1.20391 0.62099 -0.12000 0.19482  0.04561  16 GLN B C   
681  O O   . GLN B 18 ? 1.17940 1.08914 0.48204 -0.10020 0.20324  0.06114  16 GLN B O   
682  C CB  . GLN B 18 ? 1.01162 0.94779 0.35564 -0.14239 0.13094  0.00371  16 GLN B CB  
683  C CG  . GLN B 18 ? 1.02190 0.92402 0.32155 -0.13508 0.12780  0.01094  16 GLN B CG  
684  C CD  . GLN B 18 ? 1.14580 1.05157 0.42098 -0.09816 0.10819  0.01270  16 GLN B CD  
685  O OE1 . GLN B 18 ? 1.18972 1.11361 0.47093 -0.08394 0.08981  0.00145  16 GLN B OE1 
686  N NE2 . GLN B 18 ? 1.17719 1.07545 0.44542 -0.07879 0.11140  0.02701  16 GLN B NE2 
687  N N   . GLU B 19 ? 1.30904 1.25273 0.71586 -0.14049 0.21757  0.04873  17 GLU B N   
688  C CA  . GLU B 19 ? 1.24920 1.17353 0.66373 -0.13903 0.25657  0.07147  17 GLU B CA  
689  C C   . GLU B 19 ? 1.33049 1.25838 0.72076 -0.11167 0.28023  0.09124  17 GLU B C   
690  O O   . GLU B 19 ? 1.27869 1.18048 0.63085 -0.09317 0.29851  0.11165  17 GLU B O   
691  C CB  . GLU B 19 ? 1.19588 1.13264 0.67752 -0.17053 0.27684  0.06720  17 GLU B CB  
692  N N   . LYS B 20 ? 1.24722 1.20787 0.65780 -0.10761 0.28034  0.08605  18 LYS B N   
693  C CA  . LYS B 20 ? 1.15886 1.12264 0.54868 -0.08283 0.30492  0.10400  18 LYS B CA  
694  C C   . LYS B 20 ? 1.17249 1.11507 0.48739 -0.05432 0.29274  0.11056  18 LYS B C   
695  O O   . LYS B 20 ? 1.38095 1.31204 0.66469 -0.03343 0.31653  0.13022  18 LYS B O   
696  C CB  . LYS B 20 ? 1.14653 1.15131 0.57295 -0.08310 0.30489  0.09570  18 LYS B CB  
697  C CG  . LYS B 20 ? 1.12963 1.16556 0.63210 -0.11373 0.31160  0.08574  18 LYS B CG  
698  C CD  . LYS B 20 ? 1.15696 1.17679 0.68741 -0.12862 0.34949  0.10054  18 LYS B CD  
699  C CE  . LYS B 20 ? 1.14049 1.15502 0.70712 -0.16254 0.34184  0.08713  18 LYS B CE  
700  N NZ  . LYS B 20 ? 1.17294 1.16347 0.76059 -0.17724 0.38160  0.10139  18 LYS B NZ  
701  N N   . ASN B 21 ? 1.14839 1.08588 0.43239 -0.05433 0.25655  0.09374  19 ASN B N   
702  C CA  . ASN B 21 ? 1.15122 1.08090 0.38554 -0.03086 0.23739  0.09636  19 ASN B CA  
703  C C   . ASN B 21 ? 1.15970 1.07495 0.39275 -0.02665 0.23973  0.11056  19 ASN B C   
704  O O   . ASN B 21 ? 1.30541 1.22832 0.53049 -0.01091 0.23611  0.12057  19 ASN B O   
705  C CB  . ASN B 21 ? 1.11858 1.06178 0.35192 -0.03112 0.19299  0.07177  19 ASN B CB  
706  C CG  . ASN B 21 ? 1.11773 1.07821 0.35020 -0.02786 0.18696  0.05932  19 ASN B CG  
707  O OD1 . ASN B 21 ? 1.16508 1.13013 0.40370 -0.03158 0.21564  0.06634  19 ASN B OD1 
708  N ND2 . ASN B 21 ? 1.17717 1.15330 0.41518 -0.01878 0.15079  0.04125  19 ASN B ND2 
709  N N   . GLU B 22 ? 1.32903 1.22167 0.56936 -0.04534 0.24590  0.10997  20 GLU B N   
710  C CA  . GLU B 22 ? 1.32624 1.20285 0.56571 -0.03928 0.25211  0.12560  20 GLU B CA  
711  C C   . GLU B 22 ? 1.55259 1.41814 0.79987 -0.03162 0.29318  0.15090  20 GLU B C   
712  O O   . GLU B 22 ? 1.37860 1.23799 0.61945 -0.01764 0.29542  0.16607  20 GLU B O   
713  C CB  . GLU B 22 ? 1.29737 1.14940 0.54473 -0.06351 0.25046  0.11749  20 GLU B CB  
714  C CG  . GLU B 22 ? 1.25502 1.11677 0.49918 -0.06862 0.20607  0.09280  20 GLU B CG  
715  C CD  . GLU B 22 ? 1.51831 1.35658 0.77211 -0.10020 0.20485  0.08136  20 GLU B CD  
716  O OE1 . GLU B 22 ? 1.40232 1.23895 0.70376 -0.11989 0.22791  0.08374  20 GLU B OE1 
717  O OE2 . GLU B 22 ? 1.48226 1.32172 0.73690 -0.09940 0.17205  0.06711  20 GLU B OE2 
718  N N   . GLN B 23 ? 1.59394 1.45941 0.85921 -0.04163 0.32577  0.15479  21 GLN B N   
719  C CA  . GLN B 23 ? 1.50935 1.36807 0.79042 -0.03381 0.36429  0.17726  21 GLN B CA  
720  C C   . GLN B 23 ? 1.52213 1.39626 0.78392 -0.00808 0.35691  0.18475  21 GLN B C   
721  O O   . GLN B 23 ? 1.63755 1.50089 0.89510 0.00496  0.37094  0.20211  21 GLN B O   
722  C CB  . GLN B 23 ? 1.51316 1.38152 0.84230 -0.05612 0.39505  0.17449  21 GLN B CB  
723  C CG  . GLN B 23 ? 1.64931 1.50615 0.99306 -0.05127 0.44188  0.19755  21 GLN B CG  
724  C CD  . GLN B 23 ? 1.70671 1.58686 1.11997 -0.07797 0.46249  0.18909  21 GLN B CD  
725  O OE1 . GLN B 23 ? 1.51552 1.42470 0.96858 -0.09944 0.43900  0.16607  21 GLN B OE1 
726  N NE2 . GLN B 23 ? 1.72101 1.59079 1.14992 -0.07719 0.50610  0.20736  21 GLN B NE2 
727  N N   . ALA B 24 ? 1.27942 1.17560 0.52882 -0.00244 0.33526  0.17042  22 ALA B N   
728  C CA  . ALA B 24 ? 1.34796 1.25456 0.57961 0.01611  0.32802  0.17373  22 ALA B CA  
729  C C   . ALA B 24 ? 1.27104 1.17638 0.48084 0.02449  0.29898  0.17276  22 ALA B C   
730  O O   . ALA B 24 ? 1.45339 1.35834 0.64875 0.03707  0.30084  0.18071  22 ALA B O   
731  C CB  . ALA B 24 ? 1.25687 1.18403 0.48385 0.01774  0.31347  0.15727  22 ALA B CB  
732  N N   . LEU B 25 ? 1.24193 1.14809 0.45093 0.01646  0.27336  0.16281  23 LEU B N   
733  C CA  . LEU B 25 ? 1.24543 1.15688 0.44107 0.02118  0.24693  0.16114  23 LEU B CA  
734  C C   . LEU B 25 ? 1.26973 1.16149 0.46135 0.03080  0.26764  0.18371  23 LEU B C   
735  O O   . LEU B 25 ? 1.30396 1.19156 0.48439 0.04347  0.28103  0.19654  23 LEU B O   
736  C CB  . LEU B 25 ? 1.19025 1.11255 0.39298 0.00984  0.21513  0.14368  23 LEU B CB  
737  C CG  . LEU B 25 ? 1.17342 1.11059 0.37041 0.00991  0.18587  0.13813  23 LEU B CG  
738  C CD1 . LEU B 25 ? 1.19661 1.15467 0.38703 0.00801  0.16687  0.12502  23 LEU B CD1 
739  C CD2 . LEU B 25 ? 1.15249 1.09922 0.36453 0.00044  0.16260  0.12517  23 LEU B CD2 
740  N N   . GLN B 35 ? 1.39500 1.35460 0.55710 0.06434  0.28284  0.11949  33 GLN B N   
741  C CA  . GLN B 35 ? 1.53861 1.50697 0.72315 0.06123  0.29745  0.12293  33 GLN B CA  
742  C C   . GLN B 35 ? 1.45593 1.42705 0.64532 0.04615  0.26982  0.11035  33 GLN B C   
743  O O   . GLN B 35 ? 1.35136 1.33224 0.55183 0.04100  0.26561  0.10128  33 GLN B O   
744  C CB  . GLN B 35 ? 1.64184 1.60679 0.84174 0.06465  0.33404  0.14531  33 GLN B CB  
745  C CG  . GLN B 35 ? 1.71005 1.68881 0.94114 0.05709  0.35645  0.14997  33 GLN B CG  
746  C CD  . GLN B 35 ? 1.70343 1.70483 0.95077 0.06433  0.37145  0.14686  33 GLN B CD  
747  O OE1 . GLN B 35 ? 1.66237 1.66539 0.90599 0.07797  0.38497  0.15167  33 GLN B OE1 
748  N NE2 . GLN B 35 ? 1.70716 1.72821 0.97316 0.05614  0.36956  0.13917  33 GLN B NE2 
749  N N   . LEU B 36 ? 1.44731 1.34253 0.39260 -0.15054 0.05625  0.00245  34 LEU B N   
750  C CA  . LEU B 36 ? 1.39488 1.28943 0.37895 -0.16020 0.03251  0.00329  34 LEU B CA  
751  C C   . LEU B 36 ? 1.43987 1.31990 0.42171 -0.14428 0.03570  -0.00729 34 LEU B C   
752  O O   . LEU B 36 ? 1.34280 1.24247 0.36187 -0.14184 0.02999  -0.00590 34 LEU B O   
753  C CB  . LEU B 36 ? 1.40176 1.26365 0.38221 -0.18343 0.00164  0.00459  34 LEU B CB  
754  C CG  . LEU B 36 ? 1.40931 1.27257 0.42751 -0.19229 -0.02557 0.00603  34 LEU B CG  
755  C CD1 . LEU B 36 ? 1.35166 1.20951 0.37846 -0.20932 -0.04951 0.01415  34 LEU B CD1 
756  C CD2 . LEU B 36 ? 1.37322 1.20359 0.37637 -0.19267 -0.03611 -0.00439 34 LEU B CD2 
757  N N   . LEU B 37 ? 1.55925 1.40079 0.49487 -0.13446 0.04427  -0.01798 35 LEU B N   
758  C CA  . LEU B 37 ? 1.55386 1.36998 0.47878 -0.12197 0.04630  -0.02862 35 LEU B CA  
759  C C   . LEU B 37 ? 1.46085 1.31703 0.40424 -0.09415 0.07065  -0.02887 35 LEU B C   
760  O O   . LEU B 37 ? 1.40634 1.26063 0.36844 -0.08912 0.06635  -0.03248 35 LEU B O   
761  C CB  . LEU B 37 ? 1.53558 1.29462 0.40041 -0.11822 0.05108  -0.03952 35 LEU B CB  
762  C CG  . LEU B 37 ? 1.56747 1.28201 0.40971 -0.14599 0.02619  -0.03991 35 LEU B CG  
763  C CD1 . LEU B 37 ? 1.65135 1.30649 0.42932 -0.14130 0.03404  -0.04991 35 LEU B CD1 
764  C CD2 . LEU B 37 ? 1.58579 1.29060 0.45620 -0.16692 -0.00279 -0.03925 35 LEU B CD2 
765  N N   . SER B 38 ? 1.44312 1.33910 0.38189 -0.07569 0.09655  -0.02444 36 SER B N   
766  C CA  . SER B 38 ? 1.42053 1.36431 0.37906 -0.04683 0.12072  -0.02325 36 SER B CA  
767  C C   . SER B 38 ? 1.35007 1.32687 0.36376 -0.05673 0.11134  -0.01314 36 SER B C   
768  O O   . SER B 38 ? 1.32457 1.31913 0.35752 -0.03897 0.12006  -0.01486 36 SER B O   
769  C CB  . SER B 38 ? 1.54413 1.53101 0.48816 -0.02568 0.15013  -0.01807 36 SER B CB  
770  O OG  . SER B 38 ? 1.68924 1.72015 0.65258 0.00598  0.17434  -0.01532 36 SER B OG  
771  N N   . GLY B 39 ? 1.38149 1.36680 0.42108 -0.08610 0.09265  -0.00308 37 GLY B N   
772  C CA  . GLY B 39 ? 1.25505 1.27254 0.34886 -0.09968 0.08020  0.00584  37 GLY B CA  
773  C C   . GLY B 39 ? 1.22557 1.22102 0.33641 -0.10463 0.05915  0.00000  37 GLY B C   
774  O O   . GLY B 39 ? 1.19236 1.21587 0.34375 -0.10362 0.05645  0.00398  37 GLY B O   
775  N N   . ILE B 40 ? 1.25731 1.20418 0.33903 -0.11233 0.04372  -0.00886 38 ILE B N   
776  C CA  . ILE B 40 ? 1.40292 1.32963 0.49911 -0.11967 0.02429  -0.01408 38 ILE B CA  
777  C C   . ILE B 40 ? 1.34683 1.26206 0.42907 -0.09712 0.04066  -0.02356 38 ILE B C   
778  O O   . ILE B 40 ? 1.21022 1.13599 0.32136 -0.09604 0.03506  -0.02373 38 ILE B O   
779  C CB  . ILE B 40 ? 1.26863 1.15109 0.34084 -0.13977 0.00123  -0.01865 38 ILE B CB  
780  C CG1 . ILE B 40 ? 1.24887 1.14539 0.34171 -0.15913 -0.01862 -0.00880 38 ILE B CG1 
781  C CG2 . ILE B 40 ? 1.25899 1.12085 0.33941 -0.14747 -0.01514 -0.02467 38 ILE B CG2 
782  C CD1 . ILE B 40 ? 1.27112 1.13625 0.35136 -0.17794 -0.04427 -0.01137 38 ILE B CD1 
783  N N   . VAL B 41 ? 1.30582 1.19856 0.34247 -0.07754 0.06093  -0.03173 39 VAL B N   
784  C CA  . VAL B 41 ? 1.32639 1.20586 0.34604 -0.05216 0.07759  -0.04134 39 VAL B CA  
785  C C   . VAL B 41 ? 1.40576 1.34481 0.46407 -0.03193 0.09490  -0.03510 39 VAL B C   
786  O O   . VAL B 41 ? 1.31281 1.24928 0.38168 -0.02067 0.09754  -0.03972 39 VAL B O   
787  C CB  . VAL B 41 ? 1.40176 1.24905 0.36627 -0.03397 0.09625  -0.05097 39 VAL B CB  
788  C CG1 . VAL B 41 ? 1.43044 1.25751 0.37688 -0.00641 0.11304  -0.06126 39 VAL B CG1 
789  C CG2 . VAL B 41 ? 1.45416 1.23555 0.37744 -0.05599 0.07761  -0.05635 39 VAL B CG2 
790  N N   . GLN B 42 ? 1.30307 1.29042 0.38098 -0.02885 0.10654  -0.02361 40 GLN B N   
791  C CA  . GLN B 42 ? 1.26217 1.29459 0.37774 -0.01758 0.12160  -0.01502 40 GLN B CA  
792  C C   . GLN B 42 ? 1.33818 1.38986 0.50758 -0.03893 0.09908  -0.00978 40 GLN B C   
793  O O   . GLN B 42 ? 1.16249 1.23707 0.35991 -0.02692 0.10551  -0.00985 40 GLN B O   
794  C CB  . GLN B 42 ? 1.25789 1.33454 0.39092 -0.02624 0.13465  -0.00340 40 GLN B CB  
795  C CG  . GLN B 42 ? 1.27006 1.41975 0.47171 -0.03305 0.13793  0.00849  40 GLN B CG  
796  C CD  . GLN B 42 ? 1.38060 1.57596 0.59725 -0.00585 0.16727  0.00788  40 GLN B CD  
797  O OE1 . GLN B 42 ? 1.42595 1.59586 0.61713 0.02072  0.18077  -0.00420 40 GLN B OE1 
798  N NE2 . GLN B 42 ? 1.43189 1.69783 0.69249 -0.01379 0.17510  0.02073  40 GLN B NE2 
799  N N   . GLN B 43 ? 1.35424 1.39698 0.53870 -0.06848 0.07246  -0.00527 41 GLN B N   
800  C CA  . GLN B 43 ? 1.06873 1.12834 0.30081 -0.08518 0.05065  0.00014  41 GLN B CA  
801  C C   . GLN B 43 ? 1.06761 1.09756 0.29385 -0.08011 0.04346  -0.00974 41 GLN B C   
802  O O   . GLN B 43 ? 1.17837 1.23235 0.44388 -0.08136 0.03700  -0.00655 41 GLN B O   
803  C CB  . GLN B 43 ? 1.05955 1.10951 0.30067 -0.11165 0.02440  0.00615  41 GLN B CB  
804  C CG  . GLN B 43 ? 1.06825 1.13059 0.35272 -0.12436 0.00021  0.01112  41 GLN B CG  
805  C CD  . GLN B 43 ? 0.95775 1.06765 0.28799 -0.12439 0.00280  0.02270  41 GLN B CD  
806  O OE1 . GLN B 43 ? 0.95798 1.09840 0.29325 -0.11697 0.02299  0.02742  41 GLN B OE1 
807  N NE2 . GLN B 43 ? 1.07671 1.19469 0.44108 -0.13243 -0.01805 0.02777  41 GLN B NE2 
808  N N   . GLN B 44 ? 1.12280 1.09936 0.30035 -0.07615 0.04368  -0.02139 42 GLN B N   
809  C CA  . GLN B 44 ? 1.28622 1.22781 0.45303 -0.07394 0.03782  -0.03073 42 GLN B CA  
810  C C   . GLN B 44 ? 1.12999 1.08285 0.29620 -0.04467 0.06039  -0.03440 42 GLN B C   
811  O O   . GLN B 44 ? 1.11108 1.05495 0.29035 -0.04453 0.05469  -0.03731 42 GLN B O   
812  C CB  . GLN B 44 ? 1.19987 1.07792 0.31354 -0.07961 0.03245  -0.04143 42 GLN B CB  
813  C CG  . GLN B 44 ? 1.20190 1.06909 0.31802 -0.10959 0.00735  -0.03819 42 GLN B CG  
814  C CD  . GLN B 44 ? 1.32709 1.13421 0.40157 -0.12380 -0.00426 -0.04734 42 GLN B CD  
815  O OE1 . GLN B 44 ? 1.32318 1.08627 0.34653 -0.11395 0.00770  -0.05499 42 GLN B OE1 
816  N NE2 . GLN B 44 ? 1.48691 1.29400 0.58327 -0.14786 -0.02771 -0.04586 42 GLN B NE2 
817  N N   . ASN B 45 ? 1.15020 1.12662 0.30248 -0.01874 0.08621  -0.03397 43 ASN B N   
818  C CA  . ASN B 45 ? 1.22490 1.22484 0.38610 0.00944  0.10809  -0.03652 43 ASN B CA  
819  C C   . ASN B 45 ? 1.06612 1.13018 0.29741 0.00757  0.10415  -0.02409 43 ASN B C   
820  O O   . ASN B 45 ? 1.04559 1.12396 0.30065 0.02913  0.11101  -0.02536 43 ASN B O   
821  C CB  . ASN B 45 ? 1.18337 1.19767 0.32985 0.03186  0.13511  -0.03832 43 ASN B CB  
822  C CG  . ASN B 45 ? 1.19844 1.21505 0.35192 0.07196  0.15383  -0.04412 43 ASN B CG  
823  O OD1 . ASN B 45 ? 1.22044 1.18732 0.35372 0.08272  0.14811  -0.05329 43 ASN B OD1 
824  N ND2 . ASN B 45 ? 1.28092 1.35581 0.46388 0.09409  0.17471  -0.03792 43 ASN B ND2 
825  N N   . ASN B 46 ? 1.04323 1.14532 0.31366 -0.01852 0.09081  -0.01196 44 ASN B N   
826  C CA  . ASN B 46 ? 0.95190 1.11139 0.28913 -0.02656 0.08257  -0.00009 44 ASN B CA  
827  C C   . ASN B 46 ? 1.00400 1.14150 0.36348 -0.03816 0.06064  -0.00249 44 ASN B C   
828  O O   . ASN B 46 ? 0.88236 1.04126 0.28148 -0.02677 0.06168  -0.00040 44 ASN B O   
829  C CB  . ASN B 46 ? 0.93013 1.11933 0.29169 -0.05081 0.07300  0.01303  44 ASN B CB  
830  C CG  . ASN B 46 ? 1.11726 1.33875 0.47472 -0.04198 0.09489  0.01809  44 ASN B CG  
831  O OD1 . ASN B 46 ? 0.95472 1.20951 0.32500 -0.01731 0.11610  0.01767  44 ASN B OD1 
832  N ND2 . ASN B 46 ? 1.13057 1.34412 0.47188 -0.06157 0.08918  0.02309  44 ASN B ND2 
833  N N   . LEU B 47 ? 1.01994 1.11689 0.35677 -0.06086 0.04023  -0.00629 45 LEU B N   
834  C CA  . LEU B 47 ? 0.91106 0.99229 0.27004 -0.07259 0.01976  -0.00831 45 LEU B CA  
835  C C   . LEU B 47 ? 1.03634 1.08213 0.37772 -0.05567 0.02857  -0.01917 45 LEU B C   
836  O O   . LEU B 47 ? 0.89943 0.95079 0.27405 -0.05693 0.01998  -0.01863 45 LEU B O   
837  C CB  . LEU B 47 ? 0.93260 0.98463 0.26624 -0.09940 -0.00287 -0.01015 45 LEU B CB  
838  C CG  . LEU B 47 ? 0.92098 0.99240 0.26894 -0.11214 -0.01426 -0.00036 45 LEU B CG  
839  C CD1 . LEU B 47 ? 0.93822 0.98353 0.27587 -0.13081 -0.03786 -0.00255 45 LEU B CD1 
840  C CD2 . LEU B 47 ? 0.86294 0.98134 0.26344 -0.11325 -0.02076 0.01208  45 LEU B CD2 
841  N N   . LEU B 48 ? 1.04018 1.04438 0.32349 -0.03892 0.04559  -0.02909 46 LEU B N   
842  C CA  . LEU B 48 ? 1.03372 0.99309 0.28654 -0.01873 0.05523  -0.03962 46 LEU B CA  
843  C C   . LEU B 48 ? 0.98986 0.99249 0.29048 0.00786  0.06787  -0.03517 46 LEU B C   
844  O O   . LEU B 48 ? 0.96718 0.96216 0.28983 0.00745  0.06050  -0.03635 46 LEU B O   
845  C CB  . LEU B 48 ? 1.11905 1.02404 0.29300 0.00075  0.07298  -0.05029 46 LEU B CB  
846  C CG  . LEU B 48 ? 1.17156 1.01655 0.30798 0.02119  0.07965  -0.06193 46 LEU B CG  
847  C CD1 . LEU B 48 ? 1.23345 1.00836 0.32550 -0.00487 0.06246  -0.06986 46 LEU B CD1 
848  C CD2 . LEU B 48 ? 1.26383 1.11052 0.38255 0.06230  0.10567  -0.06630 46 LEU B CD2 
849  N N   . ARG B 49 ? 0.97928 1.03140 0.29582 0.02966  0.08684  -0.02935 47 ARG B N   
850  C CA  . ARG B 49 ? 0.99639 1.09631 0.35634 0.05564  0.09922  -0.02428 47 ARG B CA  
851  C C   . ARG B 49 ? 1.01699 1.15715 0.44507 0.03628  0.08204  -0.01389 47 ARG B C   
852  O O   . ARG B 49 ? 0.83998 0.99735 0.29878 0.05201  0.08518  -0.01228 47 ARG B O   
853  C CB  . ARG B 49 ? 0.94359 1.10344 0.31134 0.07565  0.12090  -0.01759 47 ARG B CB  
854  N N   . ALA B 50 ? 1.01695 1.16924 0.46488 0.00467  0.06356  -0.00681 48 ALA B N   
855  C CA  . ALA B 50 ? 0.77710 0.95760 0.27999 -0.01090 0.04625  0.00218  48 ALA B CA  
856  C C   . ALA B 50 ? 0.81375 0.95601 0.31684 -0.01541 0.03415  -0.00512 48 ALA B C   
857  O O   . ALA B 50 ? 1.10448 1.26534 0.64793 -0.01231 0.02945  -0.00103 48 ALA B O   
858  C CB  . ALA B 50 ? 0.75906 0.95477 0.27239 -0.03847 0.02915  0.01104  48 ALA B CB  
859  N N   . ILE B 51 ? 0.92189 1.01043 0.37724 -0.02541 0.02869  -0.01540 49 ILE B N   
860  C CA  . ILE B 51 ? 0.87183 0.92379 0.31984 -0.03421 0.01824  -0.02216 49 ILE B CA  
861  C C   . ILE B 51 ? 0.84670 0.87726 0.28377 -0.00708 0.03349  -0.02819 49 ILE B C   
862  O O   . ILE B 51 ? 0.96393 0.99282 0.42481 -0.00848 0.02757  -0.02804 49 ILE B O   
863  C CB  . ILE B 51 ? 0.88648 0.88534 0.27818 -0.05607 0.00821  -0.03079 49 ILE B CB  
864  C CG1 . ILE B 51 ? 0.86170 0.88722 0.27331 -0.08348 -0.01229 -0.02389 49 ILE B CG1 
865  C CG2 . ILE B 51 ? 0.91382 0.86647 0.28133 -0.06577 0.00179  -0.03883 49 ILE B CG2 
866  C CD1 . ILE B 51 ? 0.93682 0.91898 0.29552 -0.10786 -0.02429 -0.03074 49 ILE B CD1 
867  N N   . GLU B 52 ? 0.89149 0.90625 0.29049 0.02051  0.05355  -0.03336 50 GLU B N   
868  C CA  . GLU B 52 ? 0.91687 0.90866 0.29829 0.05278  0.06808  -0.03935 50 GLU B CA  
869  C C   . GLU B 52 ? 1.00952 1.06464 0.45737 0.06773  0.07191  -0.02940 50 GLU B C   
870  O O   . GLU B 52 ? 0.85057 0.89048 0.30307 0.08237  0.07364  -0.03206 50 GLU B O   
871  C CB  . GLU B 52 ? 0.98478 0.94998 0.30728 0.08450  0.08917  -0.04679 50 GLU B CB  
872  C CG  . GLU B 52 ? 1.05577 0.95499 0.30593 0.06949  0.08579  -0.05608 50 GLU B CG  
873  C CD  . GLU B 52 ? 1.21588 1.08953 0.41053 0.10360  0.10735  -0.06318 50 GLU B CD  
874  O OE1 . GLU B 52 ? 1.19764 0.99750 0.33454 0.10046  0.10533  -0.07347 50 GLU B OE1 
875  O OE2 . GLU B 52 ? 1.14437 1.08141 0.37374 0.12865  0.12357  -0.05676 50 GLU B OE2 
876  N N   . ALA B 53 ? 1.00989 1.13219 0.50454 0.06199  0.07223  -0.01748 51 ALA B N   
877  C CA  . ALA B 53 ? 0.74450 0.92538 0.29928 0.06929  0.07275  -0.00657 51 ALA B CA  
878  C C   . ALA B 53 ? 0.77861 0.95511 0.36904 0.04832  0.05364  -0.00329 51 ALA B C   
879  O O   . ALA B 53 ? 0.69680 0.88869 0.31773 0.05927  0.05400  -0.00002 51 ALA B O   
880  C CB  . ALA B 53 ? 0.71652 0.96279 0.30231 0.06115  0.07576  0.00619  51 ALA B CB  
881  N N   . GLN B 54 ? 0.84280 1.00164 0.42937 0.01969  0.03688  -0.00379 52 GLN B N   
882  C CA  . GLN B 54 ? 0.76170 0.91881 0.37807 0.00276  0.01991  -0.00147 52 GLN B CA  
883  C C   . GLN B 54 ? 0.79224 0.90122 0.38377 0.00747  0.02105  -0.01162 52 GLN B C   
884  O O   . GLN B 54 ? 0.80231 0.91725 0.42276 0.00720  0.01580  -0.00930 52 GLN B O   
885  C CB  . GLN B 54 ? 0.65479 0.81213 0.27111 -0.02508 0.00193  0.00068  52 GLN B CB  
886  C CG  . GLN B 54 ? 0.78307 0.98239 0.42645 -0.03266 -0.00449 0.01262  52 GLN B CG  
887  C CD  . GLN B 54 ? 0.90948 1.10785 0.55254 -0.05477 -0.02445 0.01496  52 GLN B CD  
888  O OE1 . GLN B 54 ? 0.97478 1.14781 0.59630 -0.06669 -0.03229 0.00758  52 GLN B OE1 
889  N NE2 . GLN B 54 ? 0.74835 0.97374 0.41146 -0.06076 -0.03383 0.02580  52 GLN B NE2 
890  N N   . GLN B 55 ? 0.92761 0.98284 0.45917 0.01063  0.02752  -0.02278 53 GLN B N   
891  C CA  . GLN B 55 ? 0.89905 0.89646 0.39312 0.01265  0.02819  -0.03243 53 GLN B CA  
892  C C   . GLN B 55 ? 0.86760 0.86651 0.37132 0.04490  0.04080  -0.03253 53 GLN B C   
893  O O   . GLN B 55 ? 0.86576 0.83628 0.36532 0.04332  0.03714  -0.03567 53 GLN B O   
894  C CB  . GLN B 55 ? 0.89324 0.82246 0.30824 0.01046  0.03248  -0.04404 53 GLN B CB  
895  C CG  . GLN B 55 ? 1.09394 0.94781 0.45235 0.00973  0.03248  -0.05433 53 GLN B CG  
896  C CD  . GLN B 55 ? 1.29354 1.15038 0.67681 -0.02256 0.01588  -0.05207 53 GLN B CD  
897  O OE1 . GLN B 55 ? 1.28072 1.17632 0.69843 -0.05122 0.00141  -0.04634 53 GLN B OE1 
898  N NE2 . GLN B 55 ? 1.09453 0.91205 0.45857 -0.01624 0.01813  -0.05632 53 GLN B NE2 
899  N N   . HIS B 56 ? 0.80372 0.83945 0.32036 0.07337  0.05528  -0.02844 54 HIS B N   
900  C CA  . HIS B 56 ? 0.80491 0.85512 0.33711 0.10539  0.06586  -0.02681 54 HIS B CA  
901  C C   . HIS B 56 ? 0.86284 0.95768 0.46038 0.09436  0.05542  -0.01647 54 HIS B C   
902  O O   . HIS B 56 ? 0.72172 0.80101 0.32386 0.10623  0.05565  -0.01787 54 HIS B O   
903  C CB  . HIS B 56 ? 0.86209 0.95611 0.39637 0.13648  0.08355  -0.02332 54 HIS B CB  
904  C CG  . HIS B 56 ? 1.06118 1.18239 0.61393 0.17177  0.09402  -0.02044 54 HIS B CG  
905  N ND1 . HIS B 56 ? 0.83909 1.03232 0.45715 0.17015  0.09132  -0.00725 54 HIS B ND1 
906  C CD2 . HIS B 56 ? 0.90178 0.98611 0.41207 0.21042  0.10604  -0.02868 54 HIS B CD2 
907  C CE1 . HIS B 56 ? 0.82241 1.02903 0.44289 0.20492  0.10096  -0.00710 54 HIS B CE1 
908  N NE2 . HIS B 56 ? 0.97256 1.11417 0.52843 0.23228  0.11024  -0.02018 54 HIS B NE2 
909  N N   . LEU B 57 ? 0.83696 0.98091 0.47902 0.07248  0.04568  -0.00614 55 LEU B N   
910  C CA  . LEU B 57 ? 0.70799 0.88622 0.40353 0.06255  0.03495  0.00369  55 LEU B CA  
911  C C   . LEU B 57 ? 0.82684 0.97218 0.52171 0.04227  0.02158  -0.00034 55 LEU B C   
912  O O   . LEU B 57 ? 0.68721 0.83659 0.40759 0.04406  0.01747  0.00269  55 LEU B O   
913  C CB  . LEU B 57 ? 0.55384 0.78339 0.28428 0.04675  0.02786  0.01593  55 LEU B CB  
914  C CG  . LEU B 57 ? 0.50264 0.76136 0.27927 0.03675  0.01576  0.02704  55 LEU B CG  
915  C CD1 . LEU B 57 ? 0.48906 0.76299 0.28575 0.05682  0.02262  0.03030  55 LEU B CD1 
916  C CD2 . LEU B 57 ? 0.48105 0.77758 0.27543 0.02165  0.00904  0.03895  55 LEU B CD2 
917  N N   . LEU B 58 ? 0.78684 0.90346 0.45253 0.02159  0.01454  -0.00655 56 LEU B N   
918  C CA  . LEU B 58 ? 0.66973 0.76278 0.33221 0.00009  0.00281  -0.01016 56 LEU B CA  
919  C C   . LEU B 58 ? 0.85981 0.90206 0.48911 0.00963  0.00935  -0.01862 56 LEU B C   
920  O O   . LEU B 58 ? 0.64118 0.67709 0.28345 -0.00101 0.00288  -0.01828 56 LEU B O   
921  C CB  . LEU B 58 ? 0.64387 0.72126 0.27799 -0.02551 -0.00640 -0.01450 56 LEU B CB  
922  C CG  . LEU B 58 ? 0.64755 0.71440 0.27890 -0.05340 -0.01971 -0.01692 56 LEU B CG  
923  C CD1 . LEU B 58 ? 0.73296 0.85171 0.42214 -0.05875 -0.03078 -0.00717 56 LEU B CD1 
924  C CD2 . LEU B 58 ? 0.68592 0.73616 0.28085 -0.07808 -0.02804 -0.02146 56 LEU B CD2 
925  N N   . GLN B 59 ? 0.77484 0.77789 0.35643 0.03140  0.02242  -0.02623 57 GLN B N   
926  C CA  . GLN B 59 ? 0.75761 0.70145 0.29592 0.04508  0.02841  -0.03457 57 GLN B CA  
927  C C   . GLN B 59 ? 0.79344 0.76176 0.37146 0.06527  0.03130  -0.02884 57 GLN B C   
928  O O   . GLN B 59 ? 0.73816 0.66769 0.29907 0.06371  0.02934  -0.03268 57 GLN B O   
929  C CB  . GLN B 59 ? 0.86245 0.75869 0.33622 0.07192  0.04221  -0.04357 57 GLN B CB  
930  C CG  . GLN B 59 ? 1.11063 0.93151 0.52354 0.09080  0.04803  -0.05307 57 GLN B CG  
931  C CD  . GLN B 59 ? 1.46934 1.20412 0.80086 0.06713  0.04283  -0.06393 57 GLN B CD  
932  O OE1 . GLN B 59 ? 1.56482 1.30493 0.89857 0.02848  0.03132  -0.06316 57 GLN B OE1 
933  N NE2 . GLN B 59 ? 1.25305 0.90588 0.50728 0.09028  0.05027  -0.07373 57 GLN B NE2 
934  N N   . LEU B 60 ? 0.71298 0.74377 0.34054 0.08135  0.03510  -0.01912 58 LEU B N   
935  C CA  . LEU B 60 ? 0.73858 0.79559 0.40347 0.09844  0.03632  -0.01252 58 LEU B CA  
936  C C   . LEU B 60 ? 0.71844 0.78905 0.42206 0.07440  0.02309  -0.00687 58 LEU B C   
937  O O   . LEU B 60 ? 0.66421 0.72378 0.37656 0.08181  0.02229  -0.00605 58 LEU B O   
938  C CB  . LEU B 60 ? 0.66764 0.79075 0.37105 0.11599  0.04263  -0.00235 58 LEU B CB  
939  C CG  . LEU B 60 ? 0.77902 0.90357 0.45335 0.15221  0.05897  -0.00614 58 LEU B CG  
940  C CD1 . LEU B 60 ? 0.76392 0.96781 0.48077 0.15954  0.06406  0.00593  58 LEU B CD1 
941  C CD2 . LEU B 60 ? 0.96229 1.05341 0.61515 0.18178  0.06428  -0.01102 58 LEU B CD2 
942  N N   . THR B 61 ? 0.56011 0.65468 0.28487 0.04817  0.01270  -0.00287 59 THR B N   
943  C CA  . THR B 61 ? 0.63680 0.74729 0.39533 0.03011  0.00098  0.00238  59 THR B CA  
944  C C   . THR B 61 ? 0.62860 0.69443 0.35898 0.01559  -0.00160 -0.00561 59 THR B C   
945  O O   . THR B 61 ? 0.52781 0.59876 0.27997 0.01040  -0.00621 -0.00251 59 THR B O   
946  C CB  . THR B 61 ? 0.49208 0.63814 0.27371 0.01089  -0.00985 0.00832  59 THR B CB  
947  O OG1 . THR B 61 ? 0.72460 0.85070 0.47156 -0.00363 -0.01099 0.00114  59 THR B OG1 
948  C CG2 . THR B 61 ? 0.46337 0.65058 0.27153 0.02031  -0.00923 0.01832  59 THR B CG2 
949  N N   . VAL B 62 ? 0.69591 0.71517 0.37328 0.00690  0.00113  -0.01550 60 VAL B N   
950  C CA  . VAL B 62 ? 0.66740 0.63816 0.30793 -0.01229 -0.00173 -0.02260 60 VAL B CA  
951  C C   . VAL B 62 ? 0.66625 0.60057 0.29162 0.00816  0.00507  -0.02502 60 VAL B C   
952  O O   . VAL B 62 ? 0.75486 0.67163 0.37742 -0.00616 0.00130  -0.02567 60 VAL B O   
953  C CB  . VAL B 62 ? 0.71644 0.63551 0.29202 -0.02818 -0.00148 -0.03221 60 VAL B CB  
954  C CG1 . VAL B 62 ? 0.86429 0.72854 0.39333 -0.05458 -0.00566 -0.03861 60 VAL B CG1 
955  C CG2 . VAL B 62 ? 0.69697 0.65510 0.28927 -0.04893 -0.00990 -0.02913 60 VAL B CG2 
956  N N   . TRP B 63 ? 0.76327 0.68993 0.37893 0.04270  0.01514  -0.02585 61 TRP B N   
957  C CA  . TRP B 63 ? 0.83788 0.73377 0.43951 0.06725  0.02065  -0.02752 61 TRP B CA  
958  C C   . TRP B 63 ? 0.63287 0.57809 0.29661 0.07136  0.01653  -0.01719 61 TRP B C   
959  O O   . TRP B 63 ? 0.67701 0.59587 0.33441 0.07461  0.01574  -0.01790 61 TRP B O   
960  C CB  . TRP B 63 ? 0.73544 0.61725 0.30796 0.10693  0.03260  -0.03104 61 TRP B CB  
961  C CG  . TRP B 63 ? 1.09915 0.91461 0.59572 0.10815  0.03737  -0.04243 61 TRP B CG  
962  C CD1 . TRP B 63 ? 1.19152 0.93520 0.62743 0.08170  0.03230  -0.05098 61 TRP B CD1 
963  C CD2 . TRP B 63 ? 1.41267 1.22506 0.88010 0.13525  0.04789  -0.04614 61 TRP B CD2 
964  N NE1 . TRP B 63 ? 1.36393 1.05152 0.72956 0.09065  0.03791  -0.06009 61 TRP B NE1 
965  C CE2 . TRP B 63 ? 1.32792 1.05678 0.71212 0.12598  0.04834  -0.05770 61 TRP B CE2 
966  C CE3 . TRP B 63 ? 1.04525 0.91856 0.54605 0.16492  0.05716  -0.04031 61 TRP B CE3 
967  C CZ2 . TRP B 63 ? 1.43714 1.13668 0.76870 0.14967  0.05828  -0.06438 61 TRP B CZ2 
968  C CZ3 . TRP B 63 ? 1.09193 0.94548 0.54602 0.18804  0.06818  -0.04656 61 TRP B CZ3 
969  C CH2 . TRP B 63 ? 1.34297 1.10799 0.71238 0.18243  0.06895  -0.05887 61 TRP B CH2 
970  N N   . GLY B 64 ? 0.66579 0.67611 0.38318 0.07029  0.01322  -0.00742 62 GLY B N   
971  C CA  . GLY B 64 ? 0.52046 0.56973 0.28847 0.07132  0.00761  0.00277  62 GLY B CA  
972  C C   . GLY B 64 ? 0.69442 0.73736 0.47294 0.04677  -0.00063 0.00324  62 GLY B C   
973  O O   . GLY B 64 ? 0.62778 0.67190 0.42473 0.05037  -0.00294 0.00739  62 GLY B O   
974  N N   . ILE B 65 ? 0.57816 0.61818 0.34467 0.02158  -0.00513 -0.00059 63 ILE B N   
975  C CA  . ILE B 65 ? 0.56597 0.60819 0.34022 -0.00225 -0.01169 -0.00035 63 ILE B CA  
976  C C   . ILE B 65 ? 0.61096 0.59661 0.34420 -0.00752 -0.00779 -0.00759 63 ILE B C   
977  O O   . ILE B 65 ? 0.54012 0.52677 0.28577 -0.01534 -0.00991 -0.00523 63 ILE B O   
978  C CB  . ILE B 65 ? 0.50937 0.57186 0.28114 -0.02801 -0.01831 -0.00178 63 ILE B CB  
979  C CG1 . ILE B 65 ? 0.46405 0.57994 0.27610 -0.02240 -0.02430 0.00665  63 ILE B CG1 
980  C CG2 . ILE B 65 ? 0.58403 0.65234 0.35662 -0.05450 -0.02355 -0.00244 63 ILE B CG2 
981  C CD1 . ILE B 65 ? 0.46591 0.60593 0.27719 -0.04367 -0.03233 0.00607  63 ILE B CD1 
982  N N   . LYS B 66 ? 0.64649 0.57683 0.32407 -0.00257 -0.00204 -0.01652 64 LYS B N   
983  C CA  . LYS B 66 ? 0.66990 0.53252 0.29547 -0.00545 0.00096  -0.02358 64 LYS B CA  
984  C C   . LYS B 66 ? 0.67209 0.52860 0.31255 0.02276  0.00433  -0.02013 64 LYS B C   
985  O O   . LYS B 66 ? 0.67284 0.49765 0.29759 0.01477  0.00352  -0.02134 64 LYS B O   
986  C CB  . LYS B 66 ? 0.80918 0.60456 0.36192 -0.00021 0.00582  -0.03386 64 LYS B CB  
987  C CG  . LYS B 66 ? 0.93698 0.69433 0.43959 -0.04082 0.00065  -0.04011 64 LYS B CG  
988  C CD  . LYS B 66 ? 0.82650 0.64949 0.37133 -0.06648 -0.00662 -0.03521 64 LYS B CD  
989  C CE  . LYS B 66 ? 0.89918 0.68479 0.38742 -0.10441 -0.01211 -0.04146 64 LYS B CE  
990  N NZ  . LYS B 66 ? 1.06878 0.80596 0.51167 -0.13631 -0.01514 -0.04474 64 LYS B NZ  
991  N N   . GLN B 67 ? 0.83231 0.72125 0.50185 0.05381  0.00768  -0.01518 65 GLN B N   
992  C CA  . GLN B 67 ? 0.66795 0.56196 0.35691 0.07930  0.00895  -0.01015 65 GLN B CA  
993  C C   . GLN B 67 ? 0.69818 0.62549 0.43326 0.06486  0.00227  -0.00194 65 GLN B C   
994  O O   . GLN B 67 ? 0.56299 0.46728 0.29369 0.07072  0.00177  -0.00103 65 GLN B O   
995  C CB  . GLN B 67 ? 0.64188 0.57918 0.35716 0.10917  0.01284  -0.00456 65 GLN B CB  
996  C CG  . GLN B 67 ? 0.86049 0.81559 0.60046 0.13390  0.01241  0.00256  65 GLN B CG  
997  C CD  . GLN B 67 ? 1.06512 0.96504 0.75556 0.16273  0.01798  -0.00457 65 GLN B CD  
998  O OE1 . GLN B 67 ? 1.27366 1.12215 0.90760 0.17020  0.02357  -0.01472 65 GLN B OE1 
999  N NE2 . GLN B 67 ? 0.78821 0.69370 0.49393 0.18024  0.01551  0.00079  65 GLN B NE2 
1000 N N   . LEU B 68 ? 0.65184 0.62961 0.42656 0.04814  -0.00310 0.00397  66 LEU B N   
1001 C CA  . LEU B 68 ? 0.55763 0.56394 0.36957 0.03835  -0.00912 0.01143  66 LEU B CA  
1002 C C   . LEU B 68 ? 0.57112 0.55004 0.36209 0.01560  -0.00927 0.00670  66 LEU B C   
1003 O O   . LEU B 68 ? 0.61816 0.59577 0.42150 0.01548  -0.01050 0.01035  66 LEU B O   
1004 C CB  . LEU B 68 ? 0.42721 0.48719 0.27625 0.03009  -0.01533 0.01828  66 LEU B CB  
1005 C CG  . LEU B 68 ? 0.39898 0.49200 0.27409 0.04684  -0.01723 0.02659  66 LEU B CG  
1006 C CD1 . LEU B 68 ? 0.57710 0.70898 0.47406 0.03632  -0.02412 0.03190  66 LEU B CD1 
1007 C CD2 . LEU B 68 ? 0.48965 0.58677 0.38452 0.05967  -0.02009 0.03466  66 LEU B CD2 
1008 N N   . GLN B 69 ? 0.54837 0.50599 0.30506 -0.00638 -0.00825 -0.00083 67 GLN B N   
1009 C CA  . GLN B 69 ? 0.55815 0.49254 0.29016 -0.03427 -0.00845 -0.00457 67 GLN B CA  
1010 C C   . GLN B 69 ? 0.66763 0.54009 0.36159 -0.02640 -0.00442 -0.00840 67 GLN B C   
1011 O O   . GLN B 69 ? 0.60523 0.46895 0.29478 -0.04290 -0.00444 -0.00763 67 GLN B O   
1012 C CB  . GLN B 69 ? 0.60060 0.51905 0.29467 -0.06312 -0.00966 -0.01131 67 GLN B CB  
1013 C CG  . GLN B 69 ? 0.64668 0.63107 0.37707 -0.08476 -0.01578 -0.00683 67 GLN B CG  
1014 C CD  . GLN B 69 ? 0.81680 0.79105 0.51285 -0.11023 -0.01876 -0.01237 67 GLN B CD  
1015 O OE1 . GLN B 69 ? 0.69326 0.72138 0.41580 -0.12437 -0.02482 -0.00900 67 GLN B OE1 
1016 N NE2 . GLN B 69 ? 0.81496 0.71621 0.44668 -0.11492 -0.01542 -0.02081 67 GLN B NE2 
1017 N N   . ALA B 70 ? 0.63042 0.46130 0.29510 0.00043  -0.00082 -0.01227 68 ALA B N   
1018 C CA  . ALA B 70 ? 0.76628 0.53782 0.39382 0.01489  0.00172  -0.01534 68 ALA B CA  
1019 C C   . ALA B 70 ? 0.62335 0.42433 0.29601 0.03406  -0.00008 -0.00679 68 ALA B C   
1020 O O   . ALA B 70 ? 0.68120 0.44481 0.33399 0.03416  0.00010  -0.00738 68 ALA B O   
1021 C CB  . ALA B 70 ? 0.72541 0.44657 0.30444 0.04370  0.00594  -0.02210 68 ALA B CB  
1022 N N   . ARG B 71 ? 0.56422 0.42675 0.29177 0.04782  -0.00268 0.00148  69 ARG B N   
1023 C CA  . ARG B 71 ? 0.52518 0.41131 0.28947 0.06298  -0.00616 0.01044  69 ARG B CA  
1024 C C   . ARG B 71 ? 0.56268 0.46652 0.34886 0.04255  -0.00895 0.01464  69 ARG B C   
1025 O O   . ARG B 71 ? 0.49402 0.38547 0.28461 0.04849  -0.01037 0.01843  69 ARG B O   
1026 C CB  . ARG B 71 ? 0.48132 0.42144 0.28751 0.07968  -0.00912 0.01869  69 ARG B CB  
1027 C CG  . ARG B 71 ? 0.64720 0.58139 0.43759 0.10608  -0.00508 0.01651  69 ARG B CG  
1028 C CD  . ARG B 71 ? 0.62119 0.61651 0.45347 0.11563  -0.00777 0.02600  69 ARG B CD  
1029 N NE  . ARG B 71 ? 0.59711 0.61887 0.46338 0.11812  -0.01507 0.03721  69 ARG B NE  
1030 C CZ  . ARG B 71 ? 0.39358 0.46383 0.29214 0.12124  -0.01984 0.04773  69 ARG B CZ  
1031 N NH1 . ARG B 71 ? 0.62836 0.73159 0.53411 0.12334  -0.01702 0.04874  69 ARG B NH1 
1032 N NH2 . ARG B 71 ? 0.42424 0.50721 0.34373 0.11981  -0.02799 0.05786  69 ARG B NH2 
1033 N N   . ILE B 72 ? 0.48407 0.41927 0.28302 0.02030  -0.00973 0.01427  70 ILE B N   
1034 C CA  . ILE B 72 ? 0.46287 0.42252 0.28155 0.00486  -0.01104 0.01817  70 ILE B CA  
1035 C C   . ILE B 72 ? 0.50572 0.42504 0.28665 -0.01649 -0.00655 0.01228  70 ILE B C   
1036 O O   . ILE B 72 ? 0.61758 0.54038 0.40609 -0.02141 -0.00552 0.01555  70 ILE B O   
1037 C CB  . ILE B 72 ? 0.43384 0.44912 0.28029 -0.00750 -0.01421 0.02069  70 ILE B CB  
1038 C CG1 . ILE B 72 ? 0.41207 0.46098 0.28089 -0.01497 -0.01503 0.02562  70 ILE B CG1 
1039 C CG2 . ILE B 72 ? 0.60650 0.61475 0.42573 -0.03039 -0.01249 0.01302  70 ILE B CG2 
1040 C CD1 . ILE B 72 ? 0.48586 0.53542 0.37452 0.00651  -0.01788 0.03346  70 ILE B CD1 
1041 N N   . LEU B 73 ? 0.68696 0.56280 0.42082 -0.03042 -0.00390 0.00382  71 LEU B N   
1042 C CA  . LEU B 73 ? 0.60988 0.43772 0.29688 -0.05551 -0.00070 -0.00136 71 LEU B CA  
1043 C C   . LEU B 73 ? 0.63389 0.40736 0.29699 -0.03721 0.00060  -0.00166 71 LEU B C   
1044 O O   . LEU B 73 ? 0.65435 0.40605 0.29937 -0.05373 0.00277  -0.00164 71 LEU B O   
1045 C CB  . LEU B 73 ? 0.67146 0.45408 0.30205 -0.07618 -0.00010 -0.01008 71 LEU B CB  
1046 C CG  . LEU B 73 ? 0.74136 0.46346 0.30887 -0.10957 0.00173  -0.01547 71 LEU B CG  
1047 C CD1 . LEU B 73 ? 0.80572 0.58183 0.39935 -0.14373 0.00267  -0.01060 71 LEU B CD1 
1048 C CD2 . LEU B 73 ? 0.81134 0.47830 0.31371 -0.12854 0.00044  -0.02380 71 LEU B CD2 
1049 N N   . ALA B 74 ? 0.63315 0.38831 0.29579 -0.00321 -0.00079 -0.00141 72 ALA B N   
1050 C CA  . ALA B 74 ? 0.65324 0.36432 0.29738 0.01804  -0.00136 -0.00059 72 ALA B CA  
1051 C C   . ALA B 74 ? 0.60508 0.35134 0.29299 0.02181  -0.00358 0.00828  72 ALA B C   
1052 O O   . ALA B 74 ? 0.67651 0.38456 0.34398 0.02426  -0.00352 0.00873  72 ALA B O   
1053 C CB  . ALA B 74 ? 0.66031 0.36057 0.30013 0.05536  -0.00271 -0.00102 72 ALA B CB  
1054 N N   . VAL B 75 ? 0.54660 0.35849 0.28787 0.02313  -0.00608 0.01528  73 VAL B N   
1055 C CA  . VAL B 75 ? 0.51012 0.34848 0.28387 0.02658  -0.00846 0.02346  73 VAL B CA  
1056 C C   . VAL B 75 ? 0.55614 0.40149 0.32380 0.00011  -0.00354 0.02228  73 VAL B C   
1057 O O   . VAL B 75 ? 0.59161 0.42530 0.35764 0.00049  -0.00236 0.02546  73 VAL B O   
1058 C CB  . VAL B 75 ? 0.51476 0.41017 0.33576 0.03842  -0.01391 0.03144  73 VAL B CB  
1059 C CG1 . VAL B 75 ? 0.43088 0.34599 0.27477 0.04102  -0.01664 0.03932  73 VAL B CG1 
1060 C CG2 . VAL B 75 ? 0.45090 0.34582 0.27909 0.06196  -0.01847 0.03463  73 VAL B CG2 
1061 N N   . GLU B 76 ? 0.52510 0.39333 0.28873 -0.02408 -0.00060 0.01823  74 GLU B N   
1062 C CA  . GLU B 76 ? 0.54154 0.42783 0.29976 -0.05258 0.00455  0.01780  74 GLU B CA  
1063 C C   . GLU B 76 ? 0.67501 0.49677 0.38183 -0.06867 0.00877  0.01321  74 GLU B C   
1064 O O   . GLU B 76 ? 0.59594 0.42438 0.30106 -0.08190 0.01336  0.01558  74 GLU B O   
1065 C CB  . GLU B 76 ? 0.53831 0.46332 0.29883 -0.07834 0.00503  0.01487  74 GLU B CB  
1066 C CG  . GLU B 76 ? 0.48589 0.48113 0.29607 -0.06618 0.00090  0.02014  74 GLU B CG  
1067 C CD  . GLU B 76 ? 0.64494 0.67375 0.45359 -0.09052 -0.00041 0.01698  74 GLU B CD  
1068 O OE1 . GLU B 76 ? 0.54144 0.53092 0.30669 -0.11592 0.00108  0.01041  74 GLU B OE1 
1069 O OE2 . GLU B 76 ? 0.57161 0.66151 0.41711 -0.08442 -0.00399 0.02123  74 GLU B OE2 
1070 N N   . ARG B 77 ? 0.65083 0.40683 0.31047 -0.06617 0.00747  0.00665  75 ARG B N   
1071 C CA  . ARG B 77 ? 0.70473 0.38570 0.30402 -0.07941 0.00989  0.00198  75 ARG B CA  
1072 C C   . ARG B 77 ? 0.69987 0.35167 0.30096 -0.05331 0.00836  0.00572  75 ARG B C   
1073 O O   . ARG B 77 ? 0.73698 0.34768 0.30383 -0.06749 0.01130  0.00489  75 ARG B O   
1074 C CB  . ARG B 77 ? 0.76945 0.38072 0.30755 -0.08018 0.00807  -0.00661 75 ARG B CB  
1075 C CG  . ARG B 77 ? 0.80095 0.41668 0.31265 -0.11842 0.00909  -0.01119 75 ARG B CG  
1076 C CD  . ARG B 77 ? 0.86335 0.41008 0.31503 -0.11125 0.00658  -0.01949 75 ARG B CD  
1077 N NE  . ARG B 77 ? 0.91054 0.44442 0.32090 -0.15455 0.00612  -0.02390 75 ARG B NE  
1078 C CZ  . ARG B 77 ? 0.96754 0.44763 0.32341 -0.15568 0.00372  -0.03106 75 ARG B CZ  
1079 N NH1 . ARG B 77 ? 0.98276 0.42268 0.32140 -0.11229 0.00307  -0.03496 75 ARG B NH1 
1080 N NH2 . ARG B 77 ? 1.01373 0.48224 0.32943 -0.20146 0.00184  -0.03396 75 ARG B NH2 
1081 N N   . TYR B 78 ? 0.65831 0.33064 0.29606 -0.01823 0.00317  0.01044  76 TYR B N   
1082 C CA  . TYR B 78 ? 0.65997 0.31162 0.30241 0.00409  -0.00021 0.01547  76 TYR B CA  
1083 C C   . TYR B 78 ? 0.79394 0.47537 0.45976 -0.00733 0.00306  0.02123  76 TYR B C   
1084 O O   . TYR B 78 ? 0.67546 0.31773 0.31748 -0.00818 0.00411  0.02212  76 TYR B O   
1085 C CB  . TYR B 78 ? 0.61185 0.29113 0.29114 0.03749  -0.00749 0.02109  76 TYR B CB  
1086 C CG  . TYR B 78 ? 0.59805 0.26929 0.28954 0.05658  -0.01321 0.02854  76 TYR B CG  
1087 C CD1 . TYR B 78 ? 0.72747 0.34155 0.38247 0.07210  -0.01662 0.02698  76 TYR B CD1 
1088 C CD2 . TYR B 78 ? 0.56204 0.27815 0.29560 0.05980  -0.01641 0.03731  76 TYR B CD2 
1089 C CE1 . TYR B 78 ? 0.93600 0.54378 0.60102 0.08757  -0.02339 0.03437  76 TYR B CE1 
1090 C CE2 . TYR B 78 ? 0.64696 0.35001 0.38521 0.07417  -0.02300 0.04452  76 TYR B CE2 
1091 C CZ  . TYR B 78 ? 0.89853 0.55037 0.60493 0.08666  -0.02665 0.04324  76 TYR B CZ  
1092 O OH  . TYR B 78 ? 0.82238 0.46240 0.53253 0.09910  -0.03467 0.05098  76 TYR B OH  
1093 N N   . LEU B 79 ? 0.60297 0.35202 0.31184 -0.01359 0.00479  0.02515  77 LEU B N   
1094 C CA  . LEU B 79 ? 0.61881 0.39960 0.34653 -0.01961 0.00916  0.03030  77 LEU B CA  
1095 C C   . LEU B 79 ? 0.66491 0.43329 0.36035 -0.05272 0.01837  0.02634  77 LEU B C   
1096 O O   . LEU B 79 ? 0.72911 0.49645 0.42078 -0.05623 0.02337  0.02944  77 LEU B O   
1097 C CB  . LEU B 79 ? 0.51202 0.36612 0.28686 -0.01392 0.00822  0.03504  77 LEU B CB  
1098 C CG  . LEU B 79 ? 0.50087 0.36930 0.30460 0.01341  -0.00132 0.04037  77 LEU B CG  
1099 C CD1 . LEU B 79 ? 0.43929 0.37055 0.27861 0.01767  -0.00271 0.04464  77 LEU B CD1 
1100 C CD2 . LEU B 79 ? 0.57569 0.41227 0.37653 0.03359  -0.00699 0.04646  77 LEU B CD2 
1101 N N   . LYS B 80 ? 0.69843 0.45574 0.36619 -0.07933 0.02055  0.01998  78 LYS B N   
1102 C CA  . LYS B 80 ? 0.68182 0.42190 0.31002 -0.11807 0.02801  0.01689  78 LYS B CA  
1103 C C   . LYS B 80 ? 0.79246 0.44522 0.36516 -0.11885 0.02802  0.01414  78 LYS B C   
1104 O O   . LYS B 80 ? 0.76644 0.40741 0.31518 -0.14216 0.03477  0.01496  78 LYS B O   
1105 C CB  . LYS B 80 ? 0.80050 0.54124 0.40404 -0.14934 0.02773  0.01131  78 LYS B CB  
1106 C CG  . LYS B 80 ? 0.74723 0.50866 0.32734 -0.19795 0.03490  0.01111  78 LYS B CG  
1107 C CD  . LYS B 80 ? 0.93300 0.64892 0.45610 -0.23364 0.03202  0.00448  78 LYS B CD  
1108 C CE  . LYS B 80 ? 0.98790 0.72074 0.53010 -0.21839 0.02541  0.00183  78 LYS B CE  
1109 N NZ  . LYS B 80 ? 1.08682 0.92580 0.69700 -0.21685 0.02586  0.00725  78 LYS B NZ  
1110 N N   . ASP B 81 ? 0.75579 0.34941 0.30645 -0.09232 0.02057  0.01123  79 ASP B N   
1111 C CA  . ASP B 81 ? 0.81369 0.32085 0.30788 -0.08766 0.01871  0.00854  79 ASP B CA  
1112 C C   . ASP B 81 ? 0.78951 0.29932 0.30408 -0.06881 0.01843  0.01503  79 ASP B C   
1113 O O   . ASP B 81 ? 0.98657 0.43942 0.45693 -0.07773 0.02018  0.01411  79 ASP B O   
1114 C CB  . ASP B 81 ? 0.84235 0.29393 0.30770 -0.05916 0.01066  0.00386  79 ASP B CB  
1115 C CG  . ASP B 81 ? 0.92996 0.35731 0.35648 -0.07754 0.01099  -0.00366 79 ASP B CG  
1116 O OD1 . ASP B 81 ? 0.89743 0.34673 0.31557 -0.11787 0.01618  -0.00492 79 ASP B OD1 
1117 O OD2 . ASP B 81 ? 0.94234 0.33082 0.34503 -0.05146 0.00592  -0.00792 79 ASP B OD2 
1118 N N   . GLN B 82 ? 0.95914 0.52754 0.53333 -0.04415 0.01547  0.02174  80 GLN B N   
1119 C CA  . GLN B 82 ? 0.97580 0.54242 0.56382 -0.02762 0.01417  0.02832  80 GLN B CA  
1120 C C   . GLN B 82 ? 0.92012 0.50255 0.50069 -0.05237 0.02525  0.02980  80 GLN B C   
1121 O O   . GLN B 82 ? 1.12023 0.67195 0.68489 -0.04691 0.02623  0.03278  80 GLN B O   
1122 C CB  . GLN B 82 ? 0.78945 0.41032 0.43342 -0.00079 0.00781  0.03554  80 GLN B CB  
1123 C CG  . GLN B 82 ? 0.80257 0.41644 0.45730 0.02374  -0.00280 0.03605  80 GLN B CG  
1124 C CD  . GLN B 82 ? 1.00610 0.55386 0.62380 0.03952  -0.00954 0.03504  80 GLN B CD  
1125 O OE1 . GLN B 82 ? 1.15699 0.66919 0.74456 0.04443  -0.01136 0.02907  80 GLN B OE1 
1126 N NE2 . GLN B 82 ? 1.11475 0.64348 0.73047 0.04979  -0.01385 0.04094  80 GLN B NE2 
1127 N N   . GLN B 83 ? 1.08573 0.71962 0.67727 -0.07964 0.03365  0.02824  81 GLN B N   
1128 C CA  . GLN B 83 ? 1.11971 0.78135 0.70454 -0.10605 0.04575  0.02995  81 GLN B CA  
1129 C C   . GLN B 83 ? 1.23115 0.82348 0.74909 -0.13947 0.04959  0.02499  81 GLN B C   
1130 O O   . GLN B 83 ? 1.36126 0.90593 0.84830 -0.13932 0.05183  0.02611  81 GLN B O   
1131 C CB  . GLN B 83 ? 1.13436 0.88624 0.75659 -0.12358 0.05215  0.03111  81 GLN B CB  
1132 C CG  . GLN B 83 ? 1.32410 1.14487 0.97528 -0.12246 0.06284  0.03696  81 GLN B CG  
1133 C CD  . GLN B 83 ? 1.50907 1.33151 1.12661 -0.16153 0.07534  0.03658  81 GLN B CD  
1134 O OE1 . GLN B 83 ? 1.65976 1.40667 1.22318 -0.18291 0.07500  0.03289  81 GLN B OE1 
1135 N NE2 . GLN B 83 ? 1.36633 1.27686 1.01329 -0.17052 0.08637  0.04085  81 GLN B NE2 
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