conf/examples/5o45.cif

data_5O45
# 
_entry.id   5O45 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.383 
_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   5O45         pdb_00005o45 10.2210/pdb5o45/pdb 
WWPDB D_1200005153 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2017-09-20 
2 'Structure model' 1 1 2017-10-25 
3 'Structure model' 1 2 2024-01-17 
# 
_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             ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Database references'    
2 3 'Structure model' 'Data collection'        
3 3 'Structure model' 'Database references'    
4 3 'Structure model' 'Derived calculations'   
5 3 'Structure model' 'Refinement description' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation                      
2 2 'Structure model' citation_author               
3 3 'Structure model' chem_comp_atom                
4 3 'Structure model' chem_comp_bond                
5 3 'Structure model' database_2                    
6 3 'Structure model' pdbx_initial_refinement_model 
7 3 'Structure model' struct_conn                   
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1  2 'Structure model' '_citation.journal_volume'            
2  2 'Structure model' '_citation.page_first'                
3  2 'Structure model' '_citation.page_last'                 
4  2 'Structure model' '_citation.title'                     
5  2 'Structure model' '_citation_author.name'               
6  3 'Structure model' '_database_2.pdbx_DOI'                
7  3 'Structure model' '_database_2.pdbx_database_accession' 
8  3 'Structure model' '_struct_conn.pdbx_dist_value'        
9  3 'Structure model' '_struct_conn.pdbx_leaving_atom_flag' 
10 3 'Structure model' '_struct_conn.ptnr1_label_atom_id'    
11 3 'Structure model' '_struct_conn.ptnr2_auth_comp_id'     
12 3 'Structure model' '_struct_conn.ptnr2_auth_seq_id'      
13 3 'Structure model' '_struct_conn.ptnr2_label_atom_id'    
14 3 'Structure model' '_struct_conn.ptnr2_label_comp_id'    
15 3 'Structure model' '_struct_conn.ptnr2_label_seq_id'     
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        5O45 
_pdbx_database_status.recvd_initial_deposition_date   2017-05-26 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.status_code_nmr_data            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Magiera, K.' 1 ? 
'Grudnik, P.' 2 ? 
'Dubin, G.'   3 ? 
'Holak, T.A.' 4 ? 
# 
_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                   GE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Angew. Chem. Int. Ed. Engl.' 
_citation.journal_id_ASTM           ACIEAY 
_citation.journal_id_CSD            0179 
_citation.journal_id_ISSN           1521-3773 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            56 
_citation.language                  ? 
_citation.page_first                13732 
_citation.page_last                 13735 
_citation.title                     'Bioactive Macrocyclic Inhibitors of the PD-1/PD-L1 Immune Checkpoint.' 
_citation.year                      2017 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/anie.201707707 
_citation.pdbx_database_id_PubMed   28881104 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Magiera-Mularz, K.'     1  ? 
primary 'Skalniak, L.'           2  ? 
primary 'Zak, K.M.'              3  ? 
primary 'Musielak, B.'           4  ? 
primary 'Rudzinska-Szostak, E.'  5  ? 
primary 'Kocik, J.'              6  ? 
primary 'Grudnik, P.'            7  ? 
primary 'Sala, D.'               8  ? 
primary 'Zarganes-Tzitzikas, T.' 9  ? 
primary 'Shaabani, S.'           10 ? 
primary 'Domling, A.'            11 ? 
primary 'Dubin, G.'              12 ? 
primary 'Holak, T.A.'            13 ? 
# 
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 'Programmed cell death 1 ligand 1'                          14792.861 1   ? ? ? ? 
2 polymer syn PHE-MEA-9KK-SAR-ASP-VAL-MEA-TYR-SAR-TRP-TYR-LEU-CCS-GLY-NH2 1813.102  1   ? ? ? ? 
3 water   nat water                                                       18.015    338 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Programmed death ligand 1,B7 homolog 1,B7-H1' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no  
;NAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGN
AALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYAAALEHHHHHH
;
;NAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGN
AALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYAAALEHHHHHH
;
A ? 
2 'polypeptide(L)' no yes 'F(MEA)(9KK)(SAR)DV(MEA)Y(SAR)WYL(CCS)G(NH2)' FFXGDVFYGWYLCGX B ? 
# 
_pdbx_entity_nonpoly.entity_id   3 
_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   ASN n 
1 2   ALA n 
1 3   PHE n 
1 4   THR n 
1 5   VAL n 
1 6   THR n 
1 7   VAL n 
1 8   PRO n 
1 9   LYS n 
1 10  ASP n 
1 11  LEU n 
1 12  TYR n 
1 13  VAL n 
1 14  VAL n 
1 15  GLU n 
1 16  TYR n 
1 17  GLY n 
1 18  SER n 
1 19  ASN n 
1 20  MET n 
1 21  THR n 
1 22  ILE n 
1 23  GLU n 
1 24  CYS n 
1 25  LYS n 
1 26  PHE n 
1 27  PRO n 
1 28  VAL n 
1 29  GLU n 
1 30  LYS n 
1 31  GLN n 
1 32  LEU n 
1 33  ASP n 
1 34  LEU n 
1 35  ALA n 
1 36  ALA n 
1 37  LEU n 
1 38  ILE n 
1 39  VAL n 
1 40  TYR n 
1 41  TRP n 
1 42  GLU n 
1 43  MET n 
1 44  GLU n 
1 45  ASP n 
1 46  LYS n 
1 47  ASN n 
1 48  ILE n 
1 49  ILE n 
1 50  GLN n 
1 51  PHE n 
1 52  VAL n 
1 53  HIS n 
1 54  GLY n 
1 55  GLU n 
1 56  GLU n 
1 57  ASP n 
1 58  LEU n 
1 59  LYS n 
1 60  VAL n 
1 61  GLN n 
1 62  HIS n 
1 63  SER n 
1 64  SER n 
1 65  TYR n 
1 66  ARG n 
1 67  GLN n 
1 68  ARG n 
1 69  ALA n 
1 70  ARG n 
1 71  LEU n 
1 72  LEU n 
1 73  LYS n 
1 74  ASP n 
1 75  GLN n 
1 76  LEU n 
1 77  SER n 
1 78  LEU n 
1 79  GLY n 
1 80  ASN n 
1 81  ALA n 
1 82  ALA n 
1 83  LEU n 
1 84  GLN n 
1 85  ILE n 
1 86  THR n 
1 87  ASP n 
1 88  VAL n 
1 89  LYS n 
1 90  LEU n 
1 91  GLN n 
1 92  ASP n 
1 93  ALA n 
1 94  GLY n 
1 95  VAL n 
1 96  TYR n 
1 97  ARG n 
1 98  CYS n 
1 99  MET n 
1 100 ILE n 
1 101 SER n 
1 102 TYR n 
1 103 GLY n 
1 104 GLY n 
1 105 ALA n 
1 106 ASP n 
1 107 TYR n 
1 108 LYS n 
1 109 ARG n 
1 110 ILE n 
1 111 THR n 
1 112 VAL n 
1 113 LYS n 
1 114 VAL n 
1 115 ASN n 
1 116 ALA n 
1 117 PRO n 
1 118 TYR n 
1 119 ALA n 
1 120 ALA n 
1 121 ALA n 
1 122 LEU n 
1 123 GLU n 
1 124 HIS n 
1 125 HIS n 
1 126 HIS n 
1 127 HIS n 
1 128 HIS n 
1 129 HIS n 
2 1   PHE n 
2 2   MEA n 
2 3   9KK n 
2 4   SAR n 
2 5   ASP n 
2 6   VAL n 
2 7   MEA n 
2 8   TYR n 
2 9   SAR n 
2 10  TRP n 
2 11  TYR n 
2 12  LEU n 
2 13  CCS n 
2 14  GLY n 
2 15  NH2 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                   129 
_entity_src_gen.gene_src_common_name               Human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'CD274, B7H1, PDCD1L1, PDCD1LG1, PDL1' 
_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      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_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                   ? 
# 
_pdbx_entity_src_syn.entity_id              2 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       15 
_pdbx_entity_src_syn.organism_scientific    'Synthetic construct' 
_pdbx_entity_src_syn.organism_common_name   ? 
_pdbx_entity_src_syn.ncbi_taxonomy_id       32630 
_pdbx_entity_src_syn.details                ? 
# 
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 
9KK 'L-peptide linking' . 'N-methyl norleucine'        ? 'C7 H15 N O2'    145.199 
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 
CCS 'L-peptide linking' n 'CARBOXYMETHYLATED CYSTEINE' ? 'C5 H9 N O4 S'   179.194 
CYS 'L-peptide linking' y CYSTEINE                     ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE                    ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'              ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                      ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                    ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                        ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                   ? 'C6 H13 N O2'    131.173 
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 
MEA 'L-peptide linking' n N-METHYLPHENYLALANINE        ? 'C10 H13 N O2'   179.216 
MET 'L-peptide linking' y METHIONINE                   ? 'C5 H11 N O2 S'  149.211 
NH2 non-polymer         . 'AMINO GROUP'                ? 'H2 N'           16.023  
PHE 'L-peptide linking' y PHENYLALANINE                ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                      ? 'C5 H9 N O2'     115.130 
SAR 'peptide linking'   n SARCOSINE                    ? 'C3 H7 N O2'     89.093  
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   ASN 1   17  17  ASN ASN A . n 
A 1 2   ALA 2   18  18  ALA ALA A . n 
A 1 3   PHE 3   19  19  PHE PHE A . n 
A 1 4   THR 4   20  20  THR THR A . n 
A 1 5   VAL 5   21  21  VAL VAL A . n 
A 1 6   THR 6   22  22  THR THR A . n 
A 1 7   VAL 7   23  23  VAL VAL A . n 
A 1 8   PRO 8   24  24  PRO PRO A . n 
A 1 9   LYS 9   25  25  LYS LYS A . n 
A 1 10  ASP 10  26  26  ASP ASP A . n 
A 1 11  LEU 11  27  27  LEU LEU A . n 
A 1 12  TYR 12  28  28  TYR TYR A . n 
A 1 13  VAL 13  29  29  VAL VAL A . n 
A 1 14  VAL 14  30  30  VAL VAL A . n 
A 1 15  GLU 15  31  31  GLU GLU A . n 
A 1 16  TYR 16  32  32  TYR TYR A . n 
A 1 17  GLY 17  33  33  GLY GLY A . n 
A 1 18  SER 18  34  34  SER SER A . n 
A 1 19  ASN 19  35  35  ASN ASN A . n 
A 1 20  MET 20  36  36  MET MET A . n 
A 1 21  THR 21  37  37  THR THR A . n 
A 1 22  ILE 22  38  38  ILE ILE A . n 
A 1 23  GLU 23  39  39  GLU GLU A . n 
A 1 24  CYS 24  40  40  CYS CYS A . n 
A 1 25  LYS 25  41  41  LYS LYS A . n 
A 1 26  PHE 26  42  42  PHE PHE A . n 
A 1 27  PRO 27  43  43  PRO PRO A . n 
A 1 28  VAL 28  44  44  VAL VAL A . n 
A 1 29  GLU 29  45  45  GLU GLU A . n 
A 1 30  LYS 30  46  46  LYS LYS A . n 
A 1 31  GLN 31  47  47  GLN GLN A . n 
A 1 32  LEU 32  48  48  LEU LEU A . n 
A 1 33  ASP 33  49  49  ASP ASP A . n 
A 1 34  LEU 34  50  50  LEU LEU A . n 
A 1 35  ALA 35  51  51  ALA ALA A . n 
A 1 36  ALA 36  52  52  ALA ALA A . n 
A 1 37  LEU 37  53  53  LEU LEU A . n 
A 1 38  ILE 38  54  54  ILE ILE A . n 
A 1 39  VAL 39  55  55  VAL VAL A . n 
A 1 40  TYR 40  56  56  TYR TYR A . n 
A 1 41  TRP 41  57  57  TRP TRP A . n 
A 1 42  GLU 42  58  58  GLU GLU A . n 
A 1 43  MET 43  59  59  MET MET A . n 
A 1 44  GLU 44  60  60  GLU GLU A . n 
A 1 45  ASP 45  61  61  ASP ASP A . n 
A 1 46  LYS 46  62  62  LYS LYS A . n 
A 1 47  ASN 47  63  63  ASN ASN A . n 
A 1 48  ILE 48  64  64  ILE ILE A . n 
A 1 49  ILE 49  65  65  ILE ILE A . n 
A 1 50  GLN 50  66  66  GLN GLN A . n 
A 1 51  PHE 51  67  67  PHE PHE A . n 
A 1 52  VAL 52  68  68  VAL VAL A . n 
A 1 53  HIS 53  69  69  HIS HIS A . n 
A 1 54  GLY 54  70  70  GLY GLY A . n 
A 1 55  GLU 55  71  71  GLU GLU A . n 
A 1 56  GLU 56  72  72  GLU GLU A . n 
A 1 57  ASP 57  73  73  ASP ASP A . n 
A 1 58  LEU 58  74  74  LEU LEU A . n 
A 1 59  LYS 59  75  75  LYS LYS A . n 
A 1 60  VAL 60  76  76  VAL VAL A . n 
A 1 61  GLN 61  77  77  GLN GLN A . n 
A 1 62  HIS 62  78  78  HIS HIS A . n 
A 1 63  SER 63  79  79  SER SER A . n 
A 1 64  SER 64  80  80  SER SER A . n 
A 1 65  TYR 65  81  81  TYR TYR A . n 
A 1 66  ARG 66  82  82  ARG ARG A . n 
A 1 67  GLN 67  83  83  GLN GLN A . n 
A 1 68  ARG 68  84  84  ARG ARG A . n 
A 1 69  ALA 69  85  85  ALA ALA A . n 
A 1 70  ARG 70  86  86  ARG ARG A . n 
A 1 71  LEU 71  87  87  LEU LEU A . n 
A 1 72  LEU 72  88  88  LEU LEU A . n 
A 1 73  LYS 73  89  89  LYS LYS A . n 
A 1 74  ASP 74  90  90  ASP ASP A . n 
A 1 75  GLN 75  91  91  GLN GLN A . n 
A 1 76  LEU 76  92  92  LEU LEU A . n 
A 1 77  SER 77  93  93  SER SER A . n 
A 1 78  LEU 78  94  94  LEU LEU A . n 
A 1 79  GLY 79  95  95  GLY GLY A . n 
A 1 80  ASN 80  96  96  ASN ASN A . n 
A 1 81  ALA 81  97  97  ALA ALA A . n 
A 1 82  ALA 82  98  98  ALA ALA A . n 
A 1 83  LEU 83  99  99  LEU LEU A . n 
A 1 84  GLN 84  100 100 GLN GLN A . n 
A 1 85  ILE 85  101 101 ILE ILE A . n 
A 1 86  THR 86  102 102 THR THR A . n 
A 1 87  ASP 87  103 103 ASP ASP A . n 
A 1 88  VAL 88  104 104 VAL VAL A . n 
A 1 89  LYS 89  105 105 LYS LYS A . n 
A 1 90  LEU 90  106 106 LEU LEU A . n 
A 1 91  GLN 91  107 107 GLN GLN A . n 
A 1 92  ASP 92  108 108 ASP ASP A . n 
A 1 93  ALA 93  109 109 ALA ALA A . n 
A 1 94  GLY 94  110 110 GLY GLY A . n 
A 1 95  VAL 95  111 111 VAL VAL A . n 
A 1 96  TYR 96  112 112 TYR TYR A . n 
A 1 97  ARG 97  113 113 ARG ARG A . n 
A 1 98  CYS 98  114 114 CYS CYS A . n 
A 1 99  MET 99  115 115 MET MET A . n 
A 1 100 ILE 100 116 116 ILE ILE A . n 
A 1 101 SER 101 117 117 SER SER A . n 
A 1 102 TYR 102 118 118 TYR TYR A . n 
A 1 103 GLY 103 119 119 GLY GLY A . n 
A 1 104 GLY 104 120 120 GLY GLY A . n 
A 1 105 ALA 105 121 121 ALA ALA A . n 
A 1 106 ASP 106 122 122 ASP ASP A . n 
A 1 107 TYR 107 123 123 TYR TYR A . n 
A 1 108 LYS 108 124 124 LYS LYS A . n 
A 1 109 ARG 109 125 125 ARG ARG A . n 
A 1 110 ILE 110 126 126 ILE ILE A . n 
A 1 111 THR 111 127 127 THR THR A . n 
A 1 112 VAL 112 128 128 VAL VAL A . n 
A 1 113 LYS 113 129 129 LYS LYS A . n 
A 1 114 VAL 114 130 130 VAL VAL A . n 
A 1 115 ASN 115 131 131 ASN ASN A . n 
A 1 116 ALA 116 132 132 ALA ALA A . n 
A 1 117 PRO 117 133 133 PRO PRO A . n 
A 1 118 TYR 118 134 134 TYR TYR A . n 
A 1 119 ALA 119 135 135 ALA ALA A . n 
A 1 120 ALA 120 136 136 ALA ALA A . n 
A 1 121 ALA 121 137 137 ALA ALA A . n 
A 1 122 LEU 122 138 138 LEU LEU A . n 
A 1 123 GLU 123 139 139 GLU GLU A . n 
A 1 124 HIS 124 140 140 HIS HIS A . n 
A 1 125 HIS 125 141 141 HIS HIS A . n 
A 1 126 HIS 126 142 142 HIS HIS A . n 
A 1 127 HIS 127 143 143 HIS HIS A . n 
A 1 128 HIS 128 144 144 HIS HIS A . n 
A 1 129 HIS 129 145 145 HIS HIS A . n 
B 2 1   PHE 1   1   1   PHE p71 B . n 
B 2 2   MEA 2   2   1   MEA p71 B . n 
B 2 3   9KK 3   3   1   9KK p71 B . n 
B 2 4   SAR 4   4   1   SAR p71 B . n 
B 2 5   ASP 5   5   1   ASP p71 B . n 
B 2 6   VAL 6   6   1   VAL p71 B . n 
B 2 7   MEA 7   7   1   MEA p71 B . n 
B 2 8   TYR 8   8   1   TYR p71 B . n 
B 2 9   SAR 9   9   1   SAR p71 B . n 
B 2 10  TRP 10  10  1   TRP p71 B . n 
B 2 11  TYR 11  11  1   TYR p71 B . n 
B 2 12  LEU 12  12  1   LEU p71 B . n 
B 2 13  CCS 13  13  1   CCS p71 B . n 
B 2 14  GLY 14  14  1   GLY p71 B . n 
B 2 15  NH2 15  15  1   NH2 p71 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 3 HOH 1   301 298 HOH HOH A . 
C 3 HOH 2   302 318 HOH HOH A . 
C 3 HOH 3   303 177 HOH HOH A . 
C 3 HOH 4   304 248 HOH HOH A . 
C 3 HOH 5   305 339 HOH HOH A . 
C 3 HOH 6   306 186 HOH HOH A . 
C 3 HOH 7   307 309 HOH HOH A . 
C 3 HOH 8   308 145 HOH HOH A . 
C 3 HOH 9   309 352 HOH HOH A . 
C 3 HOH 10  310 332 HOH HOH A . 
C 3 HOH 11  311 355 HOH HOH A . 
C 3 HOH 12  312 357 HOH HOH A . 
C 3 HOH 13  313 321 HOH HOH A . 
C 3 HOH 14  314 206 HOH HOH A . 
C 3 HOH 15  315 319 HOH HOH A . 
C 3 HOH 16  316 289 HOH HOH A . 
C 3 HOH 17  317 64  HOH HOH A . 
C 3 HOH 18  318 114 HOH HOH A . 
C 3 HOH 19  319 84  HOH HOH A . 
C 3 HOH 20  320 157 HOH HOH A . 
C 3 HOH 21  321 262 HOH HOH A . 
C 3 HOH 22  322 98  HOH HOH A . 
C 3 HOH 23  323 121 HOH HOH A . 
C 3 HOH 24  324 58  HOH HOH A . 
C 3 HOH 25  325 159 HOH HOH A . 
C 3 HOH 26  326 8   HOH HOH A . 
C 3 HOH 27  327 74  HOH HOH A . 
C 3 HOH 28  328 91  HOH HOH A . 
C 3 HOH 29  329 301 HOH HOH A . 
C 3 HOH 30  330 108 HOH HOH A . 
C 3 HOH 31  331 193 HOH HOH A . 
C 3 HOH 32  332 334 HOH HOH A . 
C 3 HOH 33  333 188 HOH HOH A . 
C 3 HOH 34  334 132 HOH HOH A . 
C 3 HOH 35  335 39  HOH HOH A . 
C 3 HOH 36  336 225 HOH HOH A . 
C 3 HOH 37  337 9   HOH HOH A . 
C 3 HOH 38  338 172 HOH HOH A . 
C 3 HOH 39  339 141 HOH HOH A . 
C 3 HOH 40  340 124 HOH HOH A . 
C 3 HOH 41  341 15  HOH HOH A . 
C 3 HOH 42  342 41  HOH HOH A . 
C 3 HOH 43  343 57  HOH HOH A . 
C 3 HOH 44  344 4   HOH HOH A . 
C 3 HOH 45  345 181 HOH HOH A . 
C 3 HOH 46  346 196 HOH HOH A . 
C 3 HOH 47  347 46  HOH HOH A . 
C 3 HOH 48  348 183 HOH HOH A . 
C 3 HOH 49  349 118 HOH HOH A . 
C 3 HOH 50  350 213 HOH HOH A . 
C 3 HOH 51  351 6   HOH HOH A . 
C 3 HOH 52  352 342 HOH HOH A . 
C 3 HOH 53  353 259 HOH HOH A . 
C 3 HOH 54  354 238 HOH HOH A . 
C 3 HOH 55  355 126 HOH HOH A . 
C 3 HOH 56  356 18  HOH HOH A . 
C 3 HOH 57  357 143 HOH HOH A . 
C 3 HOH 58  358 2   HOH HOH A . 
C 3 HOH 59  359 133 HOH HOH A . 
C 3 HOH 60  360 16  HOH HOH A . 
C 3 HOH 61  361 343 HOH HOH A . 
C 3 HOH 62  362 179 HOH HOH A . 
C 3 HOH 63  363 212 HOH HOH A . 
C 3 HOH 64  364 10  HOH HOH A . 
C 3 HOH 65  365 44  HOH HOH A . 
C 3 HOH 66  366 227 HOH HOH A . 
C 3 HOH 67  367 274 HOH HOH A . 
C 3 HOH 68  368 222 HOH HOH A . 
C 3 HOH 69  369 14  HOH HOH A . 
C 3 HOH 70  370 122 HOH HOH A . 
C 3 HOH 71  371 138 HOH HOH A . 
C 3 HOH 72  372 5   HOH HOH A . 
C 3 HOH 73  373 28  HOH HOH A . 
C 3 HOH 74  374 245 HOH HOH A . 
C 3 HOH 75  375 119 HOH HOH A . 
C 3 HOH 76  376 347 HOH HOH A . 
C 3 HOH 77  377 128 HOH HOH A . 
C 3 HOH 78  378 151 HOH HOH A . 
C 3 HOH 79  379 358 HOH HOH A . 
C 3 HOH 80  380 191 HOH HOH A . 
C 3 HOH 81  381 288 HOH HOH A . 
C 3 HOH 82  382 35  HOH HOH A . 
C 3 HOH 83  383 200 HOH HOH A . 
C 3 HOH 84  384 265 HOH HOH A . 
C 3 HOH 85  385 12  HOH HOH A . 
C 3 HOH 86  386 48  HOH HOH A . 
C 3 HOH 87  387 17  HOH HOH A . 
C 3 HOH 88  388 174 HOH HOH A . 
C 3 HOH 89  389 20  HOH HOH A . 
C 3 HOH 90  390 246 HOH HOH A . 
C 3 HOH 91  391 34  HOH HOH A . 
C 3 HOH 92  392 131 HOH HOH A . 
C 3 HOH 93  393 30  HOH HOH A . 
C 3 HOH 94  394 32  HOH HOH A . 
C 3 HOH 95  395 3   HOH HOH A . 
C 3 HOH 96  396 13  HOH HOH A . 
C 3 HOH 97  397 123 HOH HOH A . 
C 3 HOH 98  398 197 HOH HOH A . 
C 3 HOH 99  399 96  HOH HOH A . 
C 3 HOH 100 400 56  HOH HOH A . 
C 3 HOH 101 401 90  HOH HOH A . 
C 3 HOH 102 402 182 HOH HOH A . 
C 3 HOH 103 403 47  HOH HOH A . 
C 3 HOH 104 404 24  HOH HOH A . 
C 3 HOH 105 405 63  HOH HOH A . 
C 3 HOH 106 406 80  HOH HOH A . 
C 3 HOH 107 407 228 HOH HOH A . 
C 3 HOH 108 408 235 HOH HOH A . 
C 3 HOH 109 409 158 HOH HOH A . 
C 3 HOH 110 410 110 HOH HOH A . 
C 3 HOH 111 411 127 HOH HOH A . 
C 3 HOH 112 412 40  HOH HOH A . 
C 3 HOH 113 413 7   HOH HOH A . 
C 3 HOH 114 414 23  HOH HOH A . 
C 3 HOH 115 415 113 HOH HOH A . 
C 3 HOH 116 416 55  HOH HOH A . 
C 3 HOH 117 417 173 HOH HOH A . 
C 3 HOH 118 418 42  HOH HOH A . 
C 3 HOH 119 419 37  HOH HOH A . 
C 3 HOH 120 420 33  HOH HOH A . 
C 3 HOH 121 421 1   HOH HOH A . 
C 3 HOH 122 422 49  HOH HOH A . 
C 3 HOH 123 423 170 HOH HOH A . 
C 3 HOH 124 424 89  HOH HOH A . 
C 3 HOH 125 425 195 HOH HOH A . 
C 3 HOH 126 426 205 HOH HOH A . 
C 3 HOH 127 427 156 HOH HOH A . 
C 3 HOH 128 428 68  HOH HOH A . 
C 3 HOH 129 429 236 HOH HOH A . 
C 3 HOH 130 430 60  HOH HOH A . 
C 3 HOH 131 431 194 HOH HOH A . 
C 3 HOH 132 432 209 HOH HOH A . 
C 3 HOH 133 433 168 HOH HOH A . 
C 3 HOH 134 434 31  HOH HOH A . 
C 3 HOH 135 435 180 HOH HOH A . 
C 3 HOH 136 436 26  HOH HOH A . 
C 3 HOH 137 437 234 HOH HOH A . 
C 3 HOH 138 438 284 HOH HOH A . 
C 3 HOH 139 439 190 HOH HOH A . 
C 3 HOH 140 440 175 HOH HOH A . 
C 3 HOH 141 441 171 HOH HOH A . 
C 3 HOH 142 442 36  HOH HOH A . 
C 3 HOH 143 443 75  HOH HOH A . 
C 3 HOH 144 444 247 HOH HOH A . 
C 3 HOH 145 445 189 HOH HOH A . 
C 3 HOH 146 446 70  HOH HOH A . 
C 3 HOH 147 447 164 HOH HOH A . 
C 3 HOH 148 448 300 HOH HOH A . 
C 3 HOH 149 449 85  HOH HOH A . 
C 3 HOH 150 450 187 HOH HOH A . 
C 3 HOH 151 451 43  HOH HOH A . 
C 3 HOH 152 452 211 HOH HOH A . 
C 3 HOH 153 453 142 HOH HOH A . 
C 3 HOH 154 454 203 HOH HOH A . 
C 3 HOH 155 455 38  HOH HOH A . 
C 3 HOH 156 456 273 HOH HOH A . 
C 3 HOH 157 457 169 HOH HOH A . 
C 3 HOH 158 458 50  HOH HOH A . 
C 3 HOH 159 459 266 HOH HOH A . 
C 3 HOH 160 460 11  HOH HOH A . 
C 3 HOH 161 461 242 HOH HOH A . 
C 3 HOH 162 462 62  HOH HOH A . 
C 3 HOH 163 463 268 HOH HOH A . 
C 3 HOH 164 464 223 HOH HOH A . 
C 3 HOH 165 465 346 HOH HOH A . 
C 3 HOH 166 466 261 HOH HOH A . 
C 3 HOH 167 467 192 HOH HOH A . 
C 3 HOH 168 468 21  HOH HOH A . 
C 3 HOH 169 469 333 HOH HOH A . 
C 3 HOH 170 470 241 HOH HOH A . 
C 3 HOH 171 471 116 HOH HOH A . 
C 3 HOH 172 472 233 HOH HOH A . 
C 3 HOH 173 473 95  HOH HOH A . 
C 3 HOH 174 474 154 HOH HOH A . 
C 3 HOH 175 475 361 HOH HOH A . 
C 3 HOH 176 476 254 HOH HOH A . 
C 3 HOH 177 477 54  HOH HOH A . 
C 3 HOH 178 478 313 HOH HOH A . 
C 3 HOH 179 479 160 HOH HOH A . 
C 3 HOH 180 480 271 HOH HOH A . 
C 3 HOH 181 481 231 HOH HOH A . 
C 3 HOH 182 482 77  HOH HOH A . 
C 3 HOH 183 483 204 HOH HOH A . 
C 3 HOH 184 484 19  HOH HOH A . 
C 3 HOH 185 485 81  HOH HOH A . 
C 3 HOH 186 486 210 HOH HOH A . 
C 3 HOH 187 487 220 HOH HOH A . 
C 3 HOH 188 488 106 HOH HOH A . 
C 3 HOH 189 489 117 HOH HOH A . 
C 3 HOH 190 490 360 HOH HOH A . 
C 3 HOH 191 491 140 HOH HOH A . 
C 3 HOH 192 492 258 HOH HOH A . 
C 3 HOH 193 493 217 HOH HOH A . 
C 3 HOH 194 494 82  HOH HOH A . 
C 3 HOH 195 495 275 HOH HOH A . 
C 3 HOH 196 496 356 HOH HOH A . 
C 3 HOH 197 497 45  HOH HOH A . 
C 3 HOH 198 498 87  HOH HOH A . 
C 3 HOH 199 499 153 HOH HOH A . 
C 3 HOH 200 500 161 HOH HOH A . 
C 3 HOH 201 501 86  HOH HOH A . 
C 3 HOH 202 502 316 HOH HOH A . 
C 3 HOH 203 503 52  HOH HOH A . 
C 3 HOH 204 504 281 HOH HOH A . 
C 3 HOH 205 505 178 HOH HOH A . 
C 3 HOH 206 506 199 HOH HOH A . 
C 3 HOH 207 507 244 HOH HOH A . 
C 3 HOH 208 508 162 HOH HOH A . 
C 3 HOH 209 509 306 HOH HOH A . 
C 3 HOH 210 510 338 HOH HOH A . 
C 3 HOH 211 511 22  HOH HOH A . 
C 3 HOH 212 512 299 HOH HOH A . 
C 3 HOH 213 513 185 HOH HOH A . 
C 3 HOH 214 514 303 HOH HOH A . 
C 3 HOH 215 515 146 HOH HOH A . 
C 3 HOH 216 516 208 HOH HOH A . 
C 3 HOH 217 517 251 HOH HOH A . 
C 3 HOH 218 518 317 HOH HOH A . 
C 3 HOH 219 519 102 HOH HOH A . 
C 3 HOH 220 520 94  HOH HOH A . 
C 3 HOH 221 521 101 HOH HOH A . 
C 3 HOH 222 522 155 HOH HOH A . 
C 3 HOH 223 523 107 HOH HOH A . 
C 3 HOH 224 524 97  HOH HOH A . 
C 3 HOH 225 525 307 HOH HOH A . 
C 3 HOH 226 526 73  HOH HOH A . 
C 3 HOH 227 527 232 HOH HOH A . 
C 3 HOH 228 528 218 HOH HOH A . 
C 3 HOH 229 529 69  HOH HOH A . 
C 3 HOH 230 530 249 HOH HOH A . 
C 3 HOH 231 531 71  HOH HOH A . 
C 3 HOH 232 532 27  HOH HOH A . 
C 3 HOH 233 533 263 HOH HOH A . 
C 3 HOH 234 534 230 HOH HOH A . 
C 3 HOH 235 535 276 HOH HOH A . 
C 3 HOH 236 536 310 HOH HOH A . 
C 3 HOH 237 537 270 HOH HOH A . 
C 3 HOH 238 538 269 HOH HOH A . 
C 3 HOH 239 539 78  HOH HOH A . 
C 3 HOH 240 540 315 HOH HOH A . 
C 3 HOH 241 541 136 HOH HOH A . 
C 3 HOH 242 542 125 HOH HOH A . 
C 3 HOH 243 543 314 HOH HOH A . 
C 3 HOH 244 544 25  HOH HOH A . 
C 3 HOH 245 545 337 HOH HOH A . 
C 3 HOH 246 546 163 HOH HOH A . 
C 3 HOH 247 547 112 HOH HOH A . 
C 3 HOH 248 548 166 HOH HOH A . 
C 3 HOH 249 549 341 HOH HOH A . 
C 3 HOH 250 550 221 HOH HOH A . 
C 3 HOH 251 551 139 HOH HOH A . 
C 3 HOH 252 552 340 HOH HOH A . 
C 3 HOH 253 553 312 HOH HOH A . 
C 3 HOH 254 554 149 HOH HOH A . 
C 3 HOH 255 555 130 HOH HOH A . 
C 3 HOH 256 556 267 HOH HOH A . 
C 3 HOH 257 557 76  HOH HOH A . 
C 3 HOH 258 558 129 HOH HOH A . 
C 3 HOH 259 559 239 HOH HOH A . 
C 3 HOH 260 560 144 HOH HOH A . 
C 3 HOH 261 561 216 HOH HOH A . 
C 3 HOH 262 562 135 HOH HOH A . 
C 3 HOH 263 563 72  HOH HOH A . 
C 3 HOH 264 564 148 HOH HOH A . 
C 3 HOH 265 565 219 HOH HOH A . 
C 3 HOH 266 566 65  HOH HOH A . 
C 3 HOH 267 567 214 HOH HOH A . 
C 3 HOH 268 568 115 HOH HOH A . 
C 3 HOH 269 569 93  HOH HOH A . 
C 3 HOH 270 570 348 HOH HOH A . 
C 3 HOH 271 571 335 HOH HOH A . 
C 3 HOH 272 572 224 HOH HOH A . 
C 3 HOH 273 573 83  HOH HOH A . 
C 3 HOH 274 574 280 HOH HOH A . 
C 3 HOH 275 575 176 HOH HOH A . 
C 3 HOH 276 576 279 HOH HOH A . 
C 3 HOH 277 577 229 HOH HOH A . 
C 3 HOH 278 578 150 HOH HOH A . 
C 3 HOH 279 579 308 HOH HOH A . 
C 3 HOH 280 580 283 HOH HOH A . 
C 3 HOH 281 581 243 HOH HOH A . 
C 3 HOH 282 582 252 HOH HOH A . 
C 3 HOH 283 583 99  HOH HOH A . 
C 3 HOH 284 584 257 HOH HOH A . 
C 3 HOH 285 585 147 HOH HOH A . 
C 3 HOH 286 586 304 HOH HOH A . 
C 3 HOH 287 587 264 HOH HOH A . 
C 3 HOH 288 588 207 HOH HOH A . 
C 3 HOH 289 589 152 HOH HOH A . 
C 3 HOH 290 590 293 HOH HOH A . 
C 3 HOH 291 591 250 HOH HOH A . 
C 3 HOH 292 592 198 HOH HOH A . 
C 3 HOH 293 593 215 HOH HOH A . 
C 3 HOH 294 594 256 HOH HOH A . 
C 3 HOH 295 595 305 HOH HOH A . 
C 3 HOH 296 596 359 HOH HOH A . 
C 3 HOH 297 597 278 HOH HOH A . 
C 3 HOH 298 598 88  HOH HOH A . 
C 3 HOH 299 599 111 HOH HOH A . 
C 3 HOH 300 600 272 HOH HOH A . 
C 3 HOH 301 601 226 HOH HOH A . 
C 3 HOH 302 602 92  HOH HOH A . 
C 3 HOH 303 603 167 HOH HOH A . 
C 3 HOH 304 604 120 HOH HOH A . 
C 3 HOH 305 605 253 HOH HOH A . 
C 3 HOH 306 606 345 HOH HOH A . 
C 3 HOH 307 607 336 HOH HOH A . 
C 3 HOH 308 608 165 HOH HOH A . 
C 3 HOH 309 609 282 HOH HOH A . 
D 3 HOH 1   101 109 HOH HOH B . 
D 3 HOH 2   102 61  HOH HOH B . 
D 3 HOH 3   103 66  HOH HOH B . 
D 3 HOH 4   104 59  HOH HOH B . 
D 3 HOH 5   105 104 HOH HOH B . 
D 3 HOH 6   106 201 HOH HOH B . 
D 3 HOH 7   107 202 HOH HOH B . 
D 3 HOH 8   108 240 HOH HOH B . 
D 3 HOH 9   109 51  HOH HOH B . 
D 3 HOH 10  110 322 HOH HOH B . 
D 3 HOH 11  111 29  HOH HOH B . 
D 3 HOH 12  112 184 HOH HOH B . 
D 3 HOH 13  113 328 HOH HOH B . 
D 3 HOH 14  114 134 HOH HOH B . 
D 3 HOH 15  115 103 HOH HOH B . 
D 3 HOH 16  116 137 HOH HOH B . 
D 3 HOH 17  117 323 HOH HOH B . 
D 3 HOH 18  118 324 HOH HOH B . 
D 3 HOH 19  119 53  HOH HOH B . 
D 3 HOH 20  120 327 HOH HOH B . 
D 3 HOH 21  121 67  HOH HOH B . 
D 3 HOH 22  122 237 HOH HOH B . 
D 3 HOH 23  123 329 HOH HOH B . 
D 3 HOH 24  124 100 HOH HOH B . 
D 3 HOH 25  125 330 HOH HOH B . 
D 3 HOH 26  126 105 HOH HOH B . 
D 3 HOH 27  127 260 HOH HOH B . 
D 3 HOH 28  128 255 HOH HOH B . 
D 3 HOH 29  129 326 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 ASN 17  ? CG  ? A ASN 1   CG  
2  1 Y 1 A ASN 17  ? OD1 ? A ASN 1   OD1 
3  1 Y 1 A ASN 17  ? ND2 ? A ASN 1   ND2 
4  1 Y 1 A GLU 45  ? OE2 ? A GLU 29  OE2 
5  1 Y 1 A LYS 46  ? CD  ? A LYS 30  CD  
6  1 Y 1 A LYS 46  ? NZ  ? A LYS 30  NZ  
7  1 Y 1 A ARG 82  ? CZ  ? A ARG 66  CZ  
8  1 Y 1 A ARG 82  ? NH1 ? A ARG 66  NH1 
9  1 Y 1 A ARG 82  ? NH2 ? A ARG 66  NH2 
10 1 Y 1 A ARG 125 ? CZ  ? A ARG 109 CZ  
11 1 Y 1 A ARG 125 ? NH1 ? A ARG 109 NH1 
12 1 Y 1 A ARG 125 ? NH2 ? A ARG 109 NH2 
13 1 Y 1 A LYS 129 ? CD  ? A LYS 113 CD  
14 1 Y 1 A LYS 129 ? CE  ? A LYS 113 CE  
15 1 Y 1 A LYS 129 ? NZ  ? A LYS 113 NZ  
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement        ? ? ? ? ? ? ? ? ? ? ? PHENIX      ? ? ? 1.11.1_2575 1 
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.22        2 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? XDS         ? ? ? .           3 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? SCALA       ? ? ? .           4 
? phasing           ? ? ? ? ? ? ? ? ? ? ? PHASER      ? ? ? .           5 
# 
_cell.length_a           31.814 
_cell.length_b           53.682 
_cell.length_c           80.926 
_cell.angle_alpha        90.000 
_cell.angle_beta         90.000 
_cell.angle_gamma        90.000 
_cell.entry_id           5O45 
_cell.Z_PDB              4 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_symmetry.entry_id                         5O45 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
# 
_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                   5O45 
_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            2.34 
_exptl_crystal.density_method              ? 
_exptl_crystal.density_percent_sol         47.34 
_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_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2 M imidazole malate (pH 8.5) 27% PEG 10000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_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_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         2017-03-16 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9184 
_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                        'BESSY BEAMLINE 14.1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9184 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   14.1 
_diffrn_source.pdbx_synchrotron_site       BESSY 
# 
_reflns.B_iso_Wilson_estimate            ? 
_reflns.entry_id                         5O45 
_reflns.data_reduction_details           ? 
_reflns.data_reduction_method            ? 
_reflns.d_resolution_high                0.99 
_reflns.d_resolution_low                 44.7350 
_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                       73554 
_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             94.29 
_reflns.R_free_details                   ? 
_reflns.Rmerge_F_all                     ? 
_reflns.Rmerge_F_obs                     ? 
_reflns.Friedel_coverage                 ? 
_reflns.number_gt                        ? 
_reflns.threshold_expression             ? 
_reflns.pdbx_redundancy                  6.7 
_reflns.pdbx_Rmerge_I_obs                0.033 
_reflns.pdbx_Rmerge_I_all                ? 
_reflns.pdbx_Rsym_value                  ? 
_reflns.pdbx_netI_over_av_sigmaI         ? 
_reflns.pdbx_netI_over_sigmaI            19.7 
_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_R_split                     ? 
# 
_reflns_shell.d_res_high                  0.99 
_reflns_shell.d_res_low                   1.025 
_reflns_shell.meanI_over_sigI_all         ? 
_reflns_shell.meanI_over_sigI_obs         ? 
_reflns_shell.number_measured_all         ? 
_reflns_shell.number_measured_obs         ? 
_reflns_shell.number_possible             ? 
_reflns_shell.number_unique_all           ? 
_reflns_shell.number_unique_obs           ? 
_reflns_shell.percent_possible_all        ? 
_reflns_shell.percent_possible_obs        ? 
_reflns_shell.Rmerge_F_all                ? 
_reflns_shell.Rmerge_F_obs                ? 
_reflns_shell.Rmerge_I_all                ? 
_reflns_shell.Rmerge_I_obs                0.887 
_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_Rsym_value             ? 
_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                0.723 
_reflns_shell.pdbx_R_split                ? 
# 
_refine.entry_id                                 5O45 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            0.9900 
_refine.ls_d_res_low                             44.7350 
_refine.pdbx_ls_sigma_F                          1.340 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    94.2900 
_refine.ls_number_reflns_obs                     73534 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.ls_matrix_type                           ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.details                                  ? 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1136 
_refine.ls_R_factor_R_work                       0.1123 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1367 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 5.0800 
_refine.ls_number_reflns_R_free                  3738 
_refine.ls_number_reflns_R_work                  69796 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               16.6353 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.overall_SU_ML                            0.0600 
_refine.overall_SU_B                             ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.pdbx_starting_model                      5c3t 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.B_iso_max                                106.110 
_refine.B_iso_min                                5.490 
_refine.pdbx_overall_phase_error                 12.5600 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       0.9900 
_refine_hist.d_res_low                        44.7350 
_refine_hist.pdbx_number_atoms_ligand         244 
_refine_hist.number_atoms_solvent             378 
_refine_hist.number_atoms_total               1648 
_refine_hist.pdbx_number_residues_total       129 
_refine_hist.pdbx_B_iso_mean_ligand           13.12 
_refine_hist.pdbx_B_iso_mean_solvent          35.47 
_refine_hist.pdbx_number_atoms_protein        1026 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.type 
_refine_ls_restr.number 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' f_bond_d           1336 0.020  ? ? ? 
'X-RAY DIFFRACTION' f_angle_d          1833 1.760  ? ? ? 
'X-RAY DIFFRACTION' f_chiral_restr     193  0.134  ? ? ? 
'X-RAY DIFFRACTION' f_plane_restr      244  0.011  ? ? ? 
'X-RAY DIFFRACTION' f_dihedral_angle_d 522  23.710 ? ? ? 
# 
loop_
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.R_factor_R_free 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.R_factor_obs 
0.9900 1.0025  27 90.0000 2394 . 0.2177 0.2175 . 141 0.0000 2535 . 'X-RAY DIFFRACTION' . 
1.0025 1.0157  27 91.0000 2457 . 0.2076 0.1990 . 128 0.0000 2585 . 'X-RAY DIFFRACTION' . 
1.0157 1.0296  27 91.0000 2483 . 0.1825 0.2433 . 120 0.0000 2603 . 'X-RAY DIFFRACTION' . 
1.0296 1.0444  27 91.0000 2452 . 0.1735 0.1908 . 142 0.0000 2594 . 'X-RAY DIFFRACTION' . 
1.0444 1.0599  27 91.0000 2467 . 0.1602 0.1764 . 146 0.0000 2613 . 'X-RAY DIFFRACTION' . 
1.0599 1.0765  27 92.0000 2501 . 0.1575 0.1607 . 137 0.0000 2638 . 'X-RAY DIFFRACTION' . 
1.0765 1.0942  27 92.0000 2489 . 0.1387 0.1483 . 136 0.0000 2625 . 'X-RAY DIFFRACTION' . 
1.0942 1.1130  27 92.0000 2474 . 0.1265 0.1401 . 134 0.0000 2608 . 'X-RAY DIFFRACTION' . 
1.1130 1.1333  27 93.0000 2519 . 0.1104 0.1271 . 141 0.0000 2660 . 'X-RAY DIFFRACTION' . 
1.1333 1.1551  27 93.0000 2508 . 0.1033 0.1170 . 136 0.0000 2644 . 'X-RAY DIFFRACTION' . 
1.1551 1.1786  27 93.0000 2586 . 0.1018 0.1078 . 120 0.0000 2706 . 'X-RAY DIFFRACTION' . 
1.1786 1.2043  27 93.0000 2499 . 0.1062 0.1190 . 149 0.0000 2648 . 'X-RAY DIFFRACTION' . 
1.2043 1.2323  27 94.0000 2555 . 0.1059 0.1274 . 137 0.0000 2692 . 'X-RAY DIFFRACTION' . 
1.2323 1.2631  27 94.0000 2567 . 0.1024 0.1422 . 125 0.0000 2692 . 'X-RAY DIFFRACTION' . 
1.2631 1.2973  27 95.0000 2577 . 0.1013 0.1336 . 142 0.0000 2719 . 'X-RAY DIFFRACTION' . 
1.2973 1.3354  27 95.0000 2597 . 0.1032 0.1246 . 137 0.0000 2734 . 'X-RAY DIFFRACTION' . 
1.3354 1.3785  27 95.0000 2615 . 0.1028 0.1442 . 122 0.0000 2737 . 'X-RAY DIFFRACTION' . 
1.3785 1.4278  27 96.0000 2589 . 0.0986 0.1223 . 161 0.0000 2750 . 'X-RAY DIFFRACTION' . 
1.4278 1.4850  27 96.0000 2609 . 0.0979 0.1254 . 156 0.0000 2765 . 'X-RAY DIFFRACTION' . 
1.4850 1.5526  27 96.0000 2632 . 0.0949 0.1101 . 141 0.0000 2773 . 'X-RAY DIFFRACTION' . 
1.5526 1.6344  27 97.0000 2683 . 0.0943 0.1086 . 127 0.0000 2810 . 'X-RAY DIFFRACTION' . 
1.6344 1.7368  27 97.0000 2665 . 0.1015 0.1149 . 142 0.0000 2807 . 'X-RAY DIFFRACTION' . 
1.7368 1.8709  27 97.0000 2710 . 0.1011 0.1254 . 139 0.0000 2849 . 'X-RAY DIFFRACTION' . 
1.8709 2.0592  27 97.0000 2710 . 0.1066 0.1093 . 123 0.0000 2833 . 'X-RAY DIFFRACTION' . 
2.0592 2.3572  27 98.0000 2754 . 0.1073 0.1477 . 143 0.0000 2897 . 'X-RAY DIFFRACTION' . 
2.3572 2.9697  27 99.0000 2804 . 0.1183 0.1396 . 148 0.0000 2952 . 'X-RAY DIFFRACTION' . 
2.9697 44.7803 27 98.0000 2900 . 0.1163 0.1527 . 165 0.0000 3065 . 'X-RAY DIFFRACTION' . 
# 
_struct.entry_id                     5O45 
_struct.title                        'Structure of human PD-L1 in complex with inhibitor' 
_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        5O45 
_struct_keywords.text            
'PD-1, Programmed Death 1, PD-L1, Programmed Death Ligand 1, immune checkpoint, cancer, cell cycle' 
_struct_keywords.pdbx_keywords   'CELL CYCLE' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 3 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP PD1L1_HUMAN Q9NZQ7 ? 1 
;NAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGN
AALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPY
;
17 
2 PDB 5O45        5O45   ? 2 ? 1  
# 
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 5O45 A 1 ? 118 ? Q9NZQ7 17 ? 134 ? 17 134 
2 2 5O45 B 1 ? 15  ? 5O45   1  ? 15  ? 1  15  
# 
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 5O45 ALA A 119 ? UNP Q9NZQ7 ? ? 'expression tag' 135 1  
1 5O45 ALA A 120 ? UNP Q9NZQ7 ? ? 'expression tag' 136 2  
1 5O45 ALA A 121 ? UNP Q9NZQ7 ? ? 'expression tag' 137 3  
1 5O45 LEU A 122 ? UNP Q9NZQ7 ? ? 'expression tag' 138 4  
1 5O45 GLU A 123 ? UNP Q9NZQ7 ? ? 'expression tag' 139 5  
1 5O45 HIS A 124 ? UNP Q9NZQ7 ? ? 'expression tag' 140 6  
1 5O45 HIS A 125 ? UNP Q9NZQ7 ? ? 'expression tag' 141 7  
1 5O45 HIS A 126 ? UNP Q9NZQ7 ? ? 'expression tag' 142 8  
1 5O45 HIS A 127 ? UNP Q9NZQ7 ? ? 'expression tag' 143 9  
1 5O45 HIS A 128 ? UNP Q9NZQ7 ? ? 'expression tag' 144 10 
1 5O45 HIS A 129 ? UNP Q9NZQ7 ? ? 'expression tag' 145 11 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
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)' 1120 ? 
1 MORE         -8   ? 
1 'SSA (A^2)'  8570 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            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 ASP A 33 ? ALA A 36 ? ASP A 49  ALA A 52  5 ? 4 
HELX_P HELX_P2 AA2 LEU A 58 ? GLN A 61 ? LEU A 74  GLN A 77  5 ? 4 
HELX_P HELX_P3 AA3 HIS A 62 ? ARG A 66 ? HIS A 78  ARG A 82  5 ? 5 
HELX_P HELX_P4 AA4 LYS A 73 ? LEU A 78 ? LYS A 89  LEU A 94  5 ? 6 
HELX_P HELX_P5 AA5 LYS A 89 ? ALA A 93 ? LYS A 105 ALA A 109 5 ? 5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1  disulf ?    ? A CYS 24 SG ? ? ? 1_555 A CYS 98 SG ? ? A CYS 40 A CYS 114 1_555 ? ? ? ? ? ? ? 2.036 ? ? 
covale1  covale both ? B PHE 1  C  ? ? ? 1_555 B MEA 2  N  ? ? B PHE 1  B MEA 2   1_555 ? ? ? ? ? ? ? 1.316 ? ? 
covale2  covale one  ? B PHE 1  N  ? ? ? 1_555 B CCS 13 CE ? ? B PHE 1  B CCS 13  1_555 ? ? ? ? ? ? ? 1.325 ? ? 
covale3  covale both ? B MEA 2  C  ? ? ? 1_555 B 9KK 3  N  ? ? B MEA 2  B 9KK 3   1_555 ? ? ? ? ? ? ? 1.342 ? ? 
covale4  covale both ? B 9KK 3  C  ? ? ? 1_555 B SAR 4  N  ? ? B 9KK 3  B SAR 4   1_555 ? ? ? ? ? ? ? 1.344 ? ? 
covale5  covale both ? B SAR 4  C  ? ? ? 1_555 B ASP 5  N  ? ? B SAR 4  B ASP 5   1_555 ? ? ? ? ? ? ? 1.324 ? ? 
covale6  covale both ? B VAL 6  C  ? ? ? 1_555 B MEA 7  N  ? ? B VAL 6  B MEA 7   1_555 ? ? ? ? ? ? ? 1.357 ? ? 
covale7  covale both ? B MEA 7  C  ? ? ? 1_555 B TYR 8  N  ? ? B MEA 7  B TYR 8   1_555 ? ? ? ? ? ? ? 1.332 ? ? 
covale8  covale both ? B TYR 8  C  ? ? ? 1_555 B SAR 9  N  ? ? B TYR 8  B SAR 9   1_555 ? ? ? ? ? ? ? 1.335 ? ? 
covale9  covale both ? B SAR 9  C  ? ? ? 1_555 B TRP 10 N  ? ? B SAR 9  B TRP 10  1_555 ? ? ? ? ? ? ? 1.365 ? ? 
covale10 covale both ? B LEU 12 C  ? ? ? 1_555 B CCS 13 N  ? ? B LEU 12 B CCS 13  1_555 ? ? ? ? ? ? ? 1.341 ? ? 
covale11 covale both ? B CCS 13 C  ? ? ? 1_555 B GLY 14 N  ? ? B CCS 13 B GLY 14  1_555 ? ? ? ? ? ? ? 1.353 ? ? 
covale12 covale both ? B GLY 14 C  ? ? ? 1_555 B NH2 15 N  ? ? B GLY 14 B NH2 15  1_555 ? ? ? ? ? ? ? 1.325 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 3 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? parallel      
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 11  ? GLU A 15  ? LEU A 27  GLU A 31  
AA1 2 ALA A 105 ? ASN A 115 ? ALA A 121 ASN A 131 
AA1 3 GLY A 94  ? SER A 101 ? GLY A 110 SER A 117 
AA1 4 ILE A 38  ? MET A 43  ? ILE A 54  MET A 59  
AA1 5 LYS A 46  ? VAL A 52  ? LYS A 62  VAL A 68  
AA1 6 GLU A 55  ? GLU A 56  ? GLU A 71  GLU A 72  
AA2 1 MET A 20  ? LYS A 25  ? MET A 36  LYS A 41  
AA2 2 ASN A 80  ? ILE A 85  ? ASN A 96  ILE A 101 
AA2 3 ALA A 69  ? LEU A 71  ? ALA A 85  LEU A 87  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N VAL A 14  ? N VAL A 30  O ASN A 115 ? O ASN A 131 
AA1 2 3 O ILE A 110 ? O ILE A 126 N TYR A 96  ? N TYR A 112 
AA1 3 4 O MET A 99  ? O MET A 115 N TYR A 40  ? N TYR A 56  
AA1 4 5 N MET A 43  ? N MET A 59  O LYS A 46  ? O LYS A 62  
AA1 5 6 N VAL A 52  ? N VAL A 68  O GLU A 55  ? O GLU A 71  
AA2 1 2 N CYS A 24  ? N CYS A 40  O ALA A 81  ? O ALA A 97  
AA2 2 3 O GLN A 84  ? O GLN A 100 N ARG A 70  ? N ARG A 86  
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 HZ3 A LYS 124 ? ? O A HOH 310 ? ? 1.34 
2 1 O   A HOH 592 ? ? O A HOH 600 ? ? 1.88 
3 1 OD1 A ASP 90  ? ? O A HOH 302 ? ? 1.89 
# 
loop_
_pdbx_validate_rmsd_bond.id 
_pdbx_validate_rmsd_bond.PDB_model_num 
_pdbx_validate_rmsd_bond.auth_atom_id_1 
_pdbx_validate_rmsd_bond.auth_asym_id_1 
_pdbx_validate_rmsd_bond.auth_comp_id_1 
_pdbx_validate_rmsd_bond.auth_seq_id_1 
_pdbx_validate_rmsd_bond.PDB_ins_code_1 
_pdbx_validate_rmsd_bond.label_alt_id_1 
_pdbx_validate_rmsd_bond.auth_atom_id_2 
_pdbx_validate_rmsd_bond.auth_asym_id_2 
_pdbx_validate_rmsd_bond.auth_comp_id_2 
_pdbx_validate_rmsd_bond.auth_seq_id_2 
_pdbx_validate_rmsd_bond.PDB_ins_code_2 
_pdbx_validate_rmsd_bond.label_alt_id_2 
_pdbx_validate_rmsd_bond.bond_value 
_pdbx_validate_rmsd_bond.bond_target_value 
_pdbx_validate_rmsd_bond.bond_deviation 
_pdbx_validate_rmsd_bond.bond_standard_deviation 
_pdbx_validate_rmsd_bond.linker_flag 
1 1 CB A VAL 30 ? ? CG2 A VAL 30 ? ? 1.396 1.524 -0.128 0.021 N 
2 1 CB A VAL 76 ? B CG2 A VAL 76 ? B 1.285 1.524 -0.239 0.021 N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 CA A VAL 76  ? A CB A VAL 76  ? A CG1 A VAL 76  ? A 120.52 110.90 9.62  1.50 N 
2 1 NE A ARG 84  ? B CZ A ARG 84  ? B NH2 A ARG 84  ? B 123.78 120.30 3.48  0.50 N 
3 1 CB A ASP 90  ? ? CG A ASP 90  ? ? OD1 A ASP 90  ? ? 124.27 118.30 5.97  0.90 N 
4 1 CB A ASP 90  ? ? CG A ASP 90  ? ? OD2 A ASP 90  ? ? 111.48 118.30 -6.82 0.90 N 
5 1 NE A ARG 113 ? A CZ A ARG 113 ? A NH1 A ARG 113 ? A 123.59 120.30 3.29  0.50 N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 LYS A 46  ? ? -132.64 -110.26 
2 1 GLU A 60  ? ? 51.82   -132.35 
3 1 GLU A 60  ? ? 46.01   -132.35 
4 1 TYR A 118 ? ? -154.66 74.70   
5 1 HIS A 142 ? ? -163.99 97.08   
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1  1 O ? A HOH 587 ? 5.85 . 
2  1 O A A HOH 588 ? 5.88 . 
3  1 O ? A HOH 589 ? 5.89 . 
4  1 O ? A HOH 590 ? 5.92 . 
5  1 O ? A HOH 591 ? 5.94 . 
6  1 O ? A HOH 592 ? 6.00 . 
7  1 O A A HOH 593 ? 6.01 . 
8  1 O ? A HOH 594 ? 6.03 . 
9  1 O ? A HOH 595 ? 6.06 . 
10 1 O ? A HOH 596 ? 6.13 . 
11 1 O ? A HOH 597 ? 6.18 . 
12 1 O ? A HOH 598 ? 6.41 . 
13 1 O ? A HOH 599 ? 6.47 . 
14 1 O ? A HOH 600 ? 6.48 . 
15 1 O ? A HOH 601 ? 6.49 . 
16 1 O ? A HOH 602 ? 6.63 . 
17 1 O ? A HOH 603 ? 6.66 . 
18 1 O A A HOH 604 ? 6.72 . 
19 1 O ? A HOH 605 ? 6.88 . 
20 1 O ? A HOH 606 ? 7.52 . 
21 1 O ? A HOH 607 ? 7.54 . 
22 1 O ? A HOH 608 ? 8.04 . 
23 1 O ? A HOH 609 ? 8.35 . 
24 1 O ? B HOH 126 ? 6.35 . 
25 1 O ? B HOH 127 ? 6.46 . 
26 1 O ? B HOH 128 ? 6.56 . 
27 1 O ? B HOH 129 ? 6.90 . 
# 
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 
9KK N    N N N 1   
9KK CE   C N N 2   
9KK CD   C N N 3   
9KK CG   C N N 4   
9KK CB   C N N 5   
9KK CA   C N S 6   
9KK CM   C N N 7   
9KK C    C N N 8   
9KK O    O N N 9   
9KK OXT  O N N 10  
9KK H    H N N 11  
9KK HE3  H N N 12  
9KK HE2  H N N 13  
9KK HE1  H N N 14  
9KK HD2  H N N 15  
9KK HD3  H N N 16  
9KK HG2  H N N 17  
9KK HG3  H N N 18  
9KK HB2  H N N 19  
9KK HB3  H N N 20  
9KK HA   H N N 21  
9KK HM1  H N N 22  
9KK HM3  H N N 23  
9KK HM2  H N N 24  
9KK HXT  H N N 25  
ALA N    N N N 26  
ALA CA   C N S 27  
ALA C    C N N 28  
ALA O    O N N 29  
ALA CB   C N N 30  
ALA OXT  O N N 31  
ALA H    H N N 32  
ALA H2   H N N 33  
ALA HA   H N N 34  
ALA HB1  H N N 35  
ALA HB2  H N N 36  
ALA HB3  H N N 37  
ALA HXT  H N N 38  
ARG N    N N N 39  
ARG CA   C N S 40  
ARG C    C N N 41  
ARG O    O N N 42  
ARG CB   C N N 43  
ARG CG   C N N 44  
ARG CD   C N N 45  
ARG NE   N N N 46  
ARG CZ   C N N 47  
ARG NH1  N N N 48  
ARG NH2  N N N 49  
ARG OXT  O N N 50  
ARG H    H N N 51  
ARG H2   H N N 52  
ARG HA   H N N 53  
ARG HB2  H N N 54  
ARG HB3  H N N 55  
ARG HG2  H N N 56  
ARG HG3  H N N 57  
ARG HD2  H N N 58  
ARG HD3  H N N 59  
ARG HE   H N N 60  
ARG HH11 H N N 61  
ARG HH12 H N N 62  
ARG HH21 H N N 63  
ARG HH22 H N N 64  
ARG HXT  H N N 65  
ASN N    N N N 66  
ASN CA   C N S 67  
ASN C    C N N 68  
ASN O    O N N 69  
ASN CB   C N N 70  
ASN CG   C N N 71  
ASN OD1  O N N 72  
ASN ND2  N N N 73  
ASN OXT  O N N 74  
ASN H    H N N 75  
ASN H2   H N N 76  
ASN HA   H N N 77  
ASN HB2  H N N 78  
ASN HB3  H N N 79  
ASN HD21 H N N 80  
ASN HD22 H N N 81  
ASN HXT  H N N 82  
ASP N    N N N 83  
ASP CA   C N S 84  
ASP C    C N N 85  
ASP O    O N N 86  
ASP CB   C N N 87  
ASP CG   C N N 88  
ASP OD1  O N N 89  
ASP OD2  O N N 90  
ASP OXT  O N N 91  
ASP H    H N N 92  
ASP H2   H N N 93  
ASP HA   H N N 94  
ASP HB2  H N N 95  
ASP HB3  H N N 96  
ASP HD2  H N N 97  
ASP HXT  H N N 98  
CCS N    N N N 99  
CCS CA   C N R 100 
CCS CB   C N N 101 
CCS SG   S N N 102 
CCS CD   C N N 103 
CCS CE   C N N 104 
CCS OZ1  O N N 105 
CCS OZ2  O N N 106 
CCS C    C N N 107 
CCS O    O N N 108 
CCS OXT  O N N 109 
CCS H    H N N 110 
CCS H2   H N N 111 
CCS HA   H N N 112 
CCS HB2  H N N 113 
CCS HB3  H N N 114 
CCS HD2  H N N 115 
CCS HD3  H N N 116 
CCS HZ2  H N N 117 
CCS HXT  H N N 118 
CYS N    N N N 119 
CYS CA   C N R 120 
CYS C    C N N 121 
CYS O    O N N 122 
CYS CB   C N N 123 
CYS SG   S N N 124 
CYS OXT  O N N 125 
CYS H    H N N 126 
CYS H2   H N N 127 
CYS HA   H N N 128 
CYS HB2  H N N 129 
CYS HB3  H N N 130 
CYS HG   H N N 131 
CYS HXT  H N N 132 
GLN N    N N N 133 
GLN CA   C N S 134 
GLN C    C N N 135 
GLN O    O N N 136 
GLN CB   C N N 137 
GLN CG   C N N 138 
GLN CD   C N N 139 
GLN OE1  O N N 140 
GLN NE2  N N N 141 
GLN OXT  O N N 142 
GLN H    H N N 143 
GLN H2   H N N 144 
GLN HA   H N N 145 
GLN HB2  H N N 146 
GLN HB3  H N N 147 
GLN HG2  H N N 148 
GLN HG3  H N N 149 
GLN HE21 H N N 150 
GLN HE22 H N N 151 
GLN HXT  H N N 152 
GLU N    N N N 153 
GLU CA   C N S 154 
GLU C    C N N 155 
GLU O    O N N 156 
GLU CB   C N N 157 
GLU CG   C N N 158 
GLU CD   C N N 159 
GLU OE1  O N N 160 
GLU OE2  O N N 161 
GLU OXT  O N N 162 
GLU H    H N N 163 
GLU H2   H N N 164 
GLU HA   H N N 165 
GLU HB2  H N N 166 
GLU HB3  H N N 167 
GLU HG2  H N N 168 
GLU HG3  H N N 169 
GLU HE2  H N N 170 
GLU HXT  H N N 171 
GLY N    N N N 172 
GLY CA   C N N 173 
GLY C    C N N 174 
GLY O    O N N 175 
GLY OXT  O N N 176 
GLY H    H N N 177 
GLY H2   H N N 178 
GLY HA2  H N N 179 
GLY HA3  H N N 180 
GLY HXT  H N N 181 
HIS N    N N N 182 
HIS CA   C N S 183 
HIS C    C N N 184 
HIS O    O N N 185 
HIS CB   C N N 186 
HIS CG   C Y N 187 
HIS ND1  N Y N 188 
HIS CD2  C Y N 189 
HIS CE1  C Y N 190 
HIS NE2  N Y N 191 
HIS OXT  O N N 192 
HIS H    H N N 193 
HIS H2   H N N 194 
HIS HA   H N N 195 
HIS HB2  H N N 196 
HIS HB3  H N N 197 
HIS HD1  H N N 198 
HIS HD2  H N N 199 
HIS HE1  H N N 200 
HIS HE2  H N N 201 
HIS HXT  H N N 202 
HOH O    O N N 203 
HOH H1   H N N 204 
HOH H2   H N N 205 
ILE N    N N N 206 
ILE CA   C N S 207 
ILE C    C N N 208 
ILE O    O N N 209 
ILE CB   C N S 210 
ILE CG1  C N N 211 
ILE CG2  C N N 212 
ILE CD1  C N N 213 
ILE OXT  O N N 214 
ILE H    H N N 215 
ILE H2   H N N 216 
ILE HA   H N N 217 
ILE HB   H N N 218 
ILE HG12 H N N 219 
ILE HG13 H N N 220 
ILE HG21 H N N 221 
ILE HG22 H N N 222 
ILE HG23 H N N 223 
ILE HD11 H N N 224 
ILE HD12 H N N 225 
ILE HD13 H N N 226 
ILE HXT  H N N 227 
LEU N    N N N 228 
LEU CA   C N S 229 
LEU C    C N N 230 
LEU O    O N N 231 
LEU CB   C N N 232 
LEU CG   C N N 233 
LEU CD1  C N N 234 
LEU CD2  C N N 235 
LEU OXT  O N N 236 
LEU H    H N N 237 
LEU H2   H N N 238 
LEU HA   H N N 239 
LEU HB2  H N N 240 
LEU HB3  H N N 241 
LEU HG   H N N 242 
LEU HD11 H N N 243 
LEU HD12 H N N 244 
LEU HD13 H N N 245 
LEU HD21 H N N 246 
LEU HD22 H N N 247 
LEU HD23 H N N 248 
LEU HXT  H N N 249 
LYS N    N N N 250 
LYS CA   C N S 251 
LYS C    C N N 252 
LYS O    O N N 253 
LYS CB   C N N 254 
LYS CG   C N N 255 
LYS CD   C N N 256 
LYS CE   C N N 257 
LYS NZ   N N N 258 
LYS OXT  O N N 259 
LYS H    H N N 260 
LYS H2   H N N 261 
LYS HA   H N N 262 
LYS HB2  H N N 263 
LYS HB3  H N N 264 
LYS HG2  H N N 265 
LYS HG3  H N N 266 
LYS HD2  H N N 267 
LYS HD3  H N N 268 
LYS HE2  H N N 269 
LYS HE3  H N N 270 
LYS HZ1  H N N 271 
LYS HZ2  H N N 272 
LYS HZ3  H N N 273 
LYS HXT  H N N 274 
MEA C1   C N N 275 
MEA N    N N N 276 
MEA CA   C N S 277 
MEA C    C N N 278 
MEA O    O N N 279 
MEA CB   C N N 280 
MEA CG   C Y N 281 
MEA CD1  C Y N 282 
MEA CE1  C Y N 283 
MEA CZ   C Y N 284 
MEA CE2  C Y N 285 
MEA CD2  C Y N 286 
MEA OXT  O N N 287 
MEA HC1  H N N 288 
MEA HC2  H N N 289 
MEA HC3  H N N 290 
MEA H    H N N 291 
MEA HA   H N N 292 
MEA HB1  H N N 293 
MEA HB2  H N N 294 
MEA HD1  H N N 295 
MEA HE1  H N N 296 
MEA HZ   H N N 297 
MEA HE2  H N N 298 
MEA HD2  H N N 299 
MEA HXT  H N N 300 
MET N    N N N 301 
MET CA   C N S 302 
MET C    C N N 303 
MET O    O N N 304 
MET CB   C N N 305 
MET CG   C N N 306 
MET SD   S N N 307 
MET CE   C N N 308 
MET OXT  O N N 309 
MET H    H N N 310 
MET H2   H N N 311 
MET HA   H N N 312 
MET HB2  H N N 313 
MET HB3  H N N 314 
MET HG2  H N N 315 
MET HG3  H N N 316 
MET HE1  H N N 317 
MET HE2  H N N 318 
MET HE3  H N N 319 
MET HXT  H N N 320 
NH2 N    N N N 321 
NH2 HN1  H N N 322 
NH2 HN2  H N N 323 
PHE N    N N N 324 
PHE CA   C N S 325 
PHE C    C N N 326 
PHE O    O N N 327 
PHE CB   C N N 328 
PHE CG   C Y N 329 
PHE CD1  C Y N 330 
PHE CD2  C Y N 331 
PHE CE1  C Y N 332 
PHE CE2  C Y N 333 
PHE CZ   C Y N 334 
PHE OXT  O N N 335 
PHE H    H N N 336 
PHE H2   H N N 337 
PHE HA   H N N 338 
PHE HB2  H N N 339 
PHE HB3  H N N 340 
PHE HD1  H N N 341 
PHE HD2  H N N 342 
PHE HE1  H N N 343 
PHE HE2  H N N 344 
PHE HZ   H N N 345 
PHE HXT  H N N 346 
PRO N    N N N 347 
PRO CA   C N S 348 
PRO C    C N N 349 
PRO O    O N N 350 
PRO CB   C N N 351 
PRO CG   C N N 352 
PRO CD   C N N 353 
PRO OXT  O N N 354 
PRO H    H N N 355 
PRO HA   H N N 356 
PRO HB2  H N N 357 
PRO HB3  H N N 358 
PRO HG2  H N N 359 
PRO HG3  H N N 360 
PRO HD2  H N N 361 
PRO HD3  H N N 362 
PRO HXT  H N N 363 
SAR N    N N N 364 
SAR CA   C N N 365 
SAR C    C N N 366 
SAR O    O N N 367 
SAR CN   C N N 368 
SAR OXT  O N N 369 
SAR H    H N N 370 
SAR HA2  H N N 371 
SAR HA3  H N N 372 
SAR HN1  H N N 373 
SAR HN2  H N N 374 
SAR HN3  H N N 375 
SAR HXT  H N N 376 
SER N    N N N 377 
SER CA   C N S 378 
SER C    C N N 379 
SER O    O N N 380 
SER CB   C N N 381 
SER OG   O N N 382 
SER OXT  O N N 383 
SER H    H N N 384 
SER H2   H N N 385 
SER HA   H N N 386 
SER HB2  H N N 387 
SER HB3  H N N 388 
SER HG   H N N 389 
SER HXT  H N N 390 
THR N    N N N 391 
THR CA   C N S 392 
THR C    C N N 393 
THR O    O N N 394 
THR CB   C N R 395 
THR OG1  O N N 396 
THR CG2  C N N 397 
THR OXT  O N N 398 
THR H    H N N 399 
THR H2   H N N 400 
THR HA   H N N 401 
THR HB   H N N 402 
THR HG1  H N N 403 
THR HG21 H N N 404 
THR HG22 H N N 405 
THR HG23 H N N 406 
THR HXT  H N N 407 
TRP N    N N N 408 
TRP CA   C N S 409 
TRP C    C N N 410 
TRP O    O N N 411 
TRP CB   C N N 412 
TRP CG   C Y N 413 
TRP CD1  C Y N 414 
TRP CD2  C Y N 415 
TRP NE1  N Y N 416 
TRP CE2  C Y N 417 
TRP CE3  C Y N 418 
TRP CZ2  C Y N 419 
TRP CZ3  C Y N 420 
TRP CH2  C Y N 421 
TRP OXT  O N N 422 
TRP H    H N N 423 
TRP H2   H N N 424 
TRP HA   H N N 425 
TRP HB2  H N N 426 
TRP HB3  H N N 427 
TRP HD1  H N N 428 
TRP HE1  H N N 429 
TRP HE3  H N N 430 
TRP HZ2  H N N 431 
TRP HZ3  H N N 432 
TRP HH2  H N N 433 
TRP HXT  H N N 434 
TYR N    N N N 435 
TYR CA   C N S 436 
TYR C    C N N 437 
TYR O    O N N 438 
TYR CB   C N N 439 
TYR CG   C Y N 440 
TYR CD1  C Y N 441 
TYR CD2  C Y N 442 
TYR CE1  C Y N 443 
TYR CE2  C Y N 444 
TYR CZ   C Y N 445 
TYR OH   O N N 446 
TYR OXT  O N N 447 
TYR H    H N N 448 
TYR H2   H N N 449 
TYR HA   H N N 450 
TYR HB2  H N N 451 
TYR HB3  H N N 452 
TYR HD1  H N N 453 
TYR HD2  H N N 454 
TYR HE1  H N N 455 
TYR HE2  H N N 456 
TYR HH   H N N 457 
TYR HXT  H N N 458 
VAL N    N N N 459 
VAL CA   C N S 460 
VAL C    C N N 461 
VAL O    O N N 462 
VAL CB   C N N 463 
VAL CG1  C N N 464 
VAL CG2  C N N 465 
VAL OXT  O N N 466 
VAL H    H N N 467 
VAL H2   H N N 468 
VAL HA   H N N 469 
VAL HB   H N N 470 
VAL HG11 H N N 471 
VAL HG12 H N N 472 
VAL HG13 H N N 473 
VAL HG21 H N N 474 
VAL HG22 H N N 475 
VAL HG23 H N N 476 
VAL HXT  H N N 477 
# 
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 
9KK O   C    doub N N 1   
9KK C   CA   sing N N 2   
9KK CD  CG   sing N N 3   
9KK CD  CE   sing N N 4   
9KK CB  CA   sing N N 5   
9KK CB  CG   sing N N 6   
9KK CA  N    sing N N 7   
9KK N   CM   sing N N 8   
9KK C   OXT  sing N N 9   
9KK N   H    sing N N 10  
9KK CE  HE3  sing N N 11  
9KK CE  HE2  sing N N 12  
9KK CE  HE1  sing N N 13  
9KK CD  HD2  sing N N 14  
9KK CD  HD3  sing N N 15  
9KK CG  HG2  sing N N 16  
9KK CG  HG3  sing N N 17  
9KK CB  HB2  sing N N 18  
9KK CB  HB3  sing N N 19  
9KK CA  HA   sing N N 20  
9KK CM  HM1  sing N N 21  
9KK CM  HM3  sing N N 22  
9KK CM  HM2  sing N N 23  
9KK OXT HXT  sing N N 24  
ALA N   CA   sing N N 25  
ALA N   H    sing N N 26  
ALA N   H2   sing N N 27  
ALA CA  C    sing N N 28  
ALA CA  CB   sing N N 29  
ALA CA  HA   sing N N 30  
ALA C   O    doub N N 31  
ALA C   OXT  sing N N 32  
ALA CB  HB1  sing N N 33  
ALA CB  HB2  sing N N 34  
ALA CB  HB3  sing N N 35  
ALA OXT HXT  sing N N 36  
ARG N   CA   sing N N 37  
ARG N   H    sing N N 38  
ARG N   H2   sing N N 39  
ARG CA  C    sing N N 40  
ARG CA  CB   sing N N 41  
ARG CA  HA   sing N N 42  
ARG C   O    doub N N 43  
ARG C   OXT  sing N N 44  
ARG CB  CG   sing N N 45  
ARG CB  HB2  sing N N 46  
ARG CB  HB3  sing N N 47  
ARG CG  CD   sing N N 48  
ARG CG  HG2  sing N N 49  
ARG CG  HG3  sing N N 50  
ARG CD  NE   sing N N 51  
ARG CD  HD2  sing N N 52  
ARG CD  HD3  sing N N 53  
ARG NE  CZ   sing N N 54  
ARG NE  HE   sing N N 55  
ARG CZ  NH1  sing N N 56  
ARG CZ  NH2  doub N N 57  
ARG NH1 HH11 sing N N 58  
ARG NH1 HH12 sing N N 59  
ARG NH2 HH21 sing N N 60  
ARG NH2 HH22 sing N N 61  
ARG OXT HXT  sing N N 62  
ASN N   CA   sing N N 63  
ASN N   H    sing N N 64  
ASN N   H2   sing N N 65  
ASN CA  C    sing N N 66  
ASN CA  CB   sing N N 67  
ASN CA  HA   sing N N 68  
ASN C   O    doub N N 69  
ASN C   OXT  sing N N 70  
ASN CB  CG   sing N N 71  
ASN CB  HB2  sing N N 72  
ASN CB  HB3  sing N N 73  
ASN CG  OD1  doub N N 74  
ASN CG  ND2  sing N N 75  
ASN ND2 HD21 sing N N 76  
ASN ND2 HD22 sing N N 77  
ASN OXT HXT  sing N N 78  
ASP N   CA   sing N N 79  
ASP N   H    sing N N 80  
ASP N   H2   sing N N 81  
ASP CA  C    sing N N 82  
ASP CA  CB   sing N N 83  
ASP CA  HA   sing N N 84  
ASP C   O    doub N N 85  
ASP C   OXT  sing N N 86  
ASP CB  CG   sing N N 87  
ASP CB  HB2  sing N N 88  
ASP CB  HB3  sing N N 89  
ASP CG  OD1  doub N N 90  
ASP CG  OD2  sing N N 91  
ASP OD2 HD2  sing N N 92  
ASP OXT HXT  sing N N 93  
CCS N   CA   sing N N 94  
CCS N   H    sing N N 95  
CCS N   H2   sing N N 96  
CCS CA  CB   sing N N 97  
CCS CA  C    sing N N 98  
CCS CA  HA   sing N N 99  
CCS CB  SG   sing N N 100 
CCS CB  HB2  sing N N 101 
CCS CB  HB3  sing N N 102 
CCS SG  CD   sing N N 103 
CCS CD  CE   sing N N 104 
CCS CD  HD2  sing N N 105 
CCS CD  HD3  sing N N 106 
CCS CE  OZ1  doub N N 107 
CCS CE  OZ2  sing N N 108 
CCS OZ2 HZ2  sing N N 109 
CCS C   O    doub N N 110 
CCS C   OXT  sing N N 111 
CCS OXT HXT  sing N N 112 
CYS N   CA   sing N N 113 
CYS N   H    sing N N 114 
CYS N   H2   sing N N 115 
CYS CA  C    sing N N 116 
CYS CA  CB   sing N N 117 
CYS CA  HA   sing N N 118 
CYS C   O    doub N N 119 
CYS C   OXT  sing N N 120 
CYS CB  SG   sing N N 121 
CYS CB  HB2  sing N N 122 
CYS CB  HB3  sing N N 123 
CYS SG  HG   sing N N 124 
CYS OXT HXT  sing N N 125 
GLN N   CA   sing N N 126 
GLN N   H    sing N N 127 
GLN N   H2   sing N N 128 
GLN CA  C    sing N N 129 
GLN CA  CB   sing N N 130 
GLN CA  HA   sing N N 131 
GLN C   O    doub N N 132 
GLN C   OXT  sing N N 133 
GLN CB  CG   sing N N 134 
GLN CB  HB2  sing N N 135 
GLN CB  HB3  sing N N 136 
GLN CG  CD   sing N N 137 
GLN CG  HG2  sing N N 138 
GLN CG  HG3  sing N N 139 
GLN CD  OE1  doub N N 140 
GLN CD  NE2  sing N N 141 
GLN NE2 HE21 sing N N 142 
GLN NE2 HE22 sing N N 143 
GLN OXT HXT  sing N N 144 
GLU N   CA   sing N N 145 
GLU N   H    sing N N 146 
GLU N   H2   sing N N 147 
GLU CA  C    sing N N 148 
GLU CA  CB   sing N N 149 
GLU CA  HA   sing N N 150 
GLU C   O    doub N N 151 
GLU C   OXT  sing N N 152 
GLU CB  CG   sing N N 153 
GLU CB  HB2  sing N N 154 
GLU CB  HB3  sing N N 155 
GLU CG  CD   sing N N 156 
GLU CG  HG2  sing N N 157 
GLU CG  HG3  sing N N 158 
GLU CD  OE1  doub N N 159 
GLU CD  OE2  sing N N 160 
GLU OE2 HE2  sing N N 161 
GLU OXT HXT  sing N N 162 
GLY N   CA   sing N N 163 
GLY N   H    sing N N 164 
GLY N   H2   sing N N 165 
GLY CA  C    sing N N 166 
GLY CA  HA2  sing N N 167 
GLY CA  HA3  sing N N 168 
GLY C   O    doub N N 169 
GLY C   OXT  sing N N 170 
GLY OXT HXT  sing N N 171 
HIS N   CA   sing N N 172 
HIS N   H    sing N N 173 
HIS N   H2   sing N N 174 
HIS CA  C    sing N N 175 
HIS CA  CB   sing N N 176 
HIS CA  HA   sing N N 177 
HIS C   O    doub N N 178 
HIS C   OXT  sing N N 179 
HIS CB  CG   sing N N 180 
HIS CB  HB2  sing N N 181 
HIS CB  HB3  sing N N 182 
HIS CG  ND1  sing Y N 183 
HIS CG  CD2  doub Y N 184 
HIS ND1 CE1  doub Y N 185 
HIS ND1 HD1  sing N N 186 
HIS CD2 NE2  sing Y N 187 
HIS CD2 HD2  sing N N 188 
HIS CE1 NE2  sing Y N 189 
HIS CE1 HE1  sing N N 190 
HIS NE2 HE2  sing N N 191 
HIS OXT HXT  sing N N 192 
HOH O   H1   sing N N 193 
HOH O   H2   sing N N 194 
ILE N   CA   sing N N 195 
ILE N   H    sing N N 196 
ILE N   H2   sing N N 197 
ILE CA  C    sing N N 198 
ILE CA  CB   sing N N 199 
ILE CA  HA   sing N N 200 
ILE C   O    doub N N 201 
ILE C   OXT  sing N N 202 
ILE CB  CG1  sing N N 203 
ILE CB  CG2  sing N N 204 
ILE CB  HB   sing N N 205 
ILE CG1 CD1  sing N N 206 
ILE CG1 HG12 sing N N 207 
ILE CG1 HG13 sing N N 208 
ILE CG2 HG21 sing N N 209 
ILE CG2 HG22 sing N N 210 
ILE CG2 HG23 sing N N 211 
ILE CD1 HD11 sing N N 212 
ILE CD1 HD12 sing N N 213 
ILE CD1 HD13 sing N N 214 
ILE OXT HXT  sing N N 215 
LEU N   CA   sing N N 216 
LEU N   H    sing N N 217 
LEU N   H2   sing N N 218 
LEU CA  C    sing N N 219 
LEU CA  CB   sing N N 220 
LEU CA  HA   sing N N 221 
LEU C   O    doub N N 222 
LEU C   OXT  sing N N 223 
LEU CB  CG   sing N N 224 
LEU CB  HB2  sing N N 225 
LEU CB  HB3  sing N N 226 
LEU CG  CD1  sing N N 227 
LEU CG  CD2  sing N N 228 
LEU CG  HG   sing N N 229 
LEU CD1 HD11 sing N N 230 
LEU CD1 HD12 sing N N 231 
LEU CD1 HD13 sing N N 232 
LEU CD2 HD21 sing N N 233 
LEU CD2 HD22 sing N N 234 
LEU CD2 HD23 sing N N 235 
LEU OXT HXT  sing N N 236 
LYS N   CA   sing N N 237 
LYS N   H    sing N N 238 
LYS N   H2   sing N N 239 
LYS CA  C    sing N N 240 
LYS CA  CB   sing N N 241 
LYS CA  HA   sing N N 242 
LYS C   O    doub N N 243 
LYS C   OXT  sing N N 244 
LYS CB  CG   sing N N 245 
LYS CB  HB2  sing N N 246 
LYS CB  HB3  sing N N 247 
LYS CG  CD   sing N N 248 
LYS CG  HG2  sing N N 249 
LYS CG  HG3  sing N N 250 
LYS CD  CE   sing N N 251 
LYS CD  HD2  sing N N 252 
LYS CD  HD3  sing N N 253 
LYS CE  NZ   sing N N 254 
LYS CE  HE2  sing N N 255 
LYS CE  HE3  sing N N 256 
LYS NZ  HZ1  sing N N 257 
LYS NZ  HZ2  sing N N 258 
LYS NZ  HZ3  sing N N 259 
LYS OXT HXT  sing N N 260 
MEA C1  N    sing N N 261 
MEA C1  HC1  sing N N 262 
MEA C1  HC2  sing N N 263 
MEA C1  HC3  sing N N 264 
MEA N   CA   sing N N 265 
MEA N   H    sing N N 266 
MEA CA  C    sing N N 267 
MEA CA  CB   sing N N 268 
MEA CA  HA   sing N N 269 
MEA C   O    doub N N 270 
MEA C   OXT  sing N N 271 
MEA CB  CG   sing N N 272 
MEA CB  HB1  sing N N 273 
MEA CB  HB2  sing N N 274 
MEA CG  CD1  doub Y N 275 
MEA CG  CD2  sing Y N 276 
MEA CD1 CE1  sing Y N 277 
MEA CD1 HD1  sing N N 278 
MEA CE1 CZ   doub Y N 279 
MEA CE1 HE1  sing N N 280 
MEA CZ  CE2  sing Y N 281 
MEA CZ  HZ   sing N N 282 
MEA CE2 CD2  doub Y N 283 
MEA CE2 HE2  sing N N 284 
MEA CD2 HD2  sing N N 285 
MEA OXT HXT  sing N N 286 
MET N   CA   sing N N 287 
MET N   H    sing N N 288 
MET N   H2   sing N N 289 
MET CA  C    sing N N 290 
MET CA  CB   sing N N 291 
MET CA  HA   sing N N 292 
MET C   O    doub N N 293 
MET C   OXT  sing N N 294 
MET CB  CG   sing N N 295 
MET CB  HB2  sing N N 296 
MET CB  HB3  sing N N 297 
MET CG  SD   sing N N 298 
MET CG  HG2  sing N N 299 
MET CG  HG3  sing N N 300 
MET SD  CE   sing N N 301 
MET CE  HE1  sing N N 302 
MET CE  HE2  sing N N 303 
MET CE  HE3  sing N N 304 
MET OXT HXT  sing N N 305 
NH2 N   HN1  sing N N 306 
NH2 N   HN2  sing N N 307 
PHE N   CA   sing N N 308 
PHE N   H    sing N N 309 
PHE N   H2   sing N N 310 
PHE CA  C    sing N N 311 
PHE CA  CB   sing N N 312 
PHE CA  HA   sing N N 313 
PHE C   O    doub N N 314 
PHE C   OXT  sing N N 315 
PHE CB  CG   sing N N 316 
PHE CB  HB2  sing N N 317 
PHE CB  HB3  sing N N 318 
PHE CG  CD1  doub Y N 319 
PHE CG  CD2  sing Y N 320 
PHE CD1 CE1  sing Y N 321 
PHE CD1 HD1  sing N N 322 
PHE CD2 CE2  doub Y N 323 
PHE CD2 HD2  sing N N 324 
PHE CE1 CZ   doub Y N 325 
PHE CE1 HE1  sing N N 326 
PHE CE2 CZ   sing Y N 327 
PHE CE2 HE2  sing N N 328 
PHE CZ  HZ   sing N N 329 
PHE OXT HXT  sing N N 330 
PRO N   CA   sing N N 331 
PRO N   CD   sing N N 332 
PRO N   H    sing N N 333 
PRO CA  C    sing N N 334 
PRO CA  CB   sing N N 335 
PRO CA  HA   sing N N 336 
PRO C   O    doub N N 337 
PRO C   OXT  sing N N 338 
PRO CB  CG   sing N N 339 
PRO CB  HB2  sing N N 340 
PRO CB  HB3  sing N N 341 
PRO CG  CD   sing N N 342 
PRO CG  HG2  sing N N 343 
PRO CG  HG3  sing N N 344 
PRO CD  HD2  sing N N 345 
PRO CD  HD3  sing N N 346 
PRO OXT HXT  sing N N 347 
SAR N   CA   sing N N 348 
SAR N   CN   sing N N 349 
SAR N   H    sing N N 350 
SAR CA  C    sing N N 351 
SAR CA  HA2  sing N N 352 
SAR CA  HA3  sing N N 353 
SAR C   O    doub N N 354 
SAR C   OXT  sing N N 355 
SAR CN  HN1  sing N N 356 
SAR CN  HN2  sing N N 357 
SAR CN  HN3  sing N N 358 
SAR OXT HXT  sing N N 359 
SER N   CA   sing N N 360 
SER N   H    sing N N 361 
SER N   H2   sing N N 362 
SER CA  C    sing N N 363 
SER CA  CB   sing N N 364 
SER CA  HA   sing N N 365 
SER C   O    doub N N 366 
SER C   OXT  sing N N 367 
SER CB  OG   sing N N 368 
SER CB  HB2  sing N N 369 
SER CB  HB3  sing N N 370 
SER OG  HG   sing N N 371 
SER OXT HXT  sing N N 372 
THR N   CA   sing N N 373 
THR N   H    sing N N 374 
THR N   H2   sing N N 375 
THR CA  C    sing N N 376 
THR CA  CB   sing N N 377 
THR CA  HA   sing N N 378 
THR C   O    doub N N 379 
THR C   OXT  sing N N 380 
THR CB  OG1  sing N N 381 
THR CB  CG2  sing N N 382 
THR CB  HB   sing N N 383 
THR OG1 HG1  sing N N 384 
THR CG2 HG21 sing N N 385 
THR CG2 HG22 sing N N 386 
THR CG2 HG23 sing N N 387 
THR OXT HXT  sing N N 388 
TRP N   CA   sing N N 389 
TRP N   H    sing N N 390 
TRP N   H2   sing N N 391 
TRP CA  C    sing N N 392 
TRP CA  CB   sing N N 393 
TRP CA  HA   sing N N 394 
TRP C   O    doub N N 395 
TRP C   OXT  sing N N 396 
TRP CB  CG   sing N N 397 
TRP CB  HB2  sing N N 398 
TRP CB  HB3  sing N N 399 
TRP CG  CD1  doub Y N 400 
TRP CG  CD2  sing Y N 401 
TRP CD1 NE1  sing Y N 402 
TRP CD1 HD1  sing N N 403 
TRP CD2 CE2  doub Y N 404 
TRP CD2 CE3  sing Y N 405 
TRP NE1 CE2  sing Y N 406 
TRP NE1 HE1  sing N N 407 
TRP CE2 CZ2  sing Y N 408 
TRP CE3 CZ3  doub Y N 409 
TRP CE3 HE3  sing N N 410 
TRP CZ2 CH2  doub Y N 411 
TRP CZ2 HZ2  sing N N 412 
TRP CZ3 CH2  sing Y N 413 
TRP CZ3 HZ3  sing N N 414 
TRP CH2 HH2  sing N N 415 
TRP OXT HXT  sing N N 416 
TYR N   CA   sing N N 417 
TYR N   H    sing N N 418 
TYR N   H2   sing N N 419 
TYR CA  C    sing N N 420 
TYR CA  CB   sing N N 421 
TYR CA  HA   sing N N 422 
TYR C   O    doub N N 423 
TYR C   OXT  sing N N 424 
TYR CB  CG   sing N N 425 
TYR CB  HB2  sing N N 426 
TYR CB  HB3  sing N N 427 
TYR CG  CD1  doub Y N 428 
TYR CG  CD2  sing Y N 429 
TYR CD1 CE1  sing Y N 430 
TYR CD1 HD1  sing N N 431 
TYR CD2 CE2  doub Y N 432 
TYR CD2 HD2  sing N N 433 
TYR CE1 CZ   doub Y N 434 
TYR CE1 HE1  sing N N 435 
TYR CE2 CZ   sing Y N 436 
TYR CE2 HE2  sing N N 437 
TYR CZ  OH   sing N N 438 
TYR OH  HH   sing N N 439 
TYR OXT HXT  sing N N 440 
VAL N   CA   sing N N 441 
VAL N   H    sing N N 442 
VAL N   H2   sing N N 443 
VAL CA  C    sing N N 444 
VAL CA  CB   sing N N 445 
VAL CA  HA   sing N N 446 
VAL C   O    doub N N 447 
VAL C   OXT  sing N N 448 
VAL CB  CG1  sing N N 449 
VAL CB  CG2  sing N N 450 
VAL CB  HB   sing N N 451 
VAL CG1 HG11 sing N N 452 
VAL CG1 HG12 sing N N 453 
VAL CG1 HG13 sing N N 454 
VAL CG2 HG21 sing N N 455 
VAL CG2 HG22 sing N N 456 
VAL CG2 HG23 sing N N 457 
VAL OXT HXT  sing N N 458 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'National Science Center' Poland UMO-2014/12/W/NZ1/00457               1 
'European Commission'     Poland 'Marie Curie FP7-Reintegration-Grant' 2 
'National Science Center' Poland UMO-2012/07/E/NZ1/01907               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   5C3T 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    5O45 
_atom_sites.fract_transf_matrix[1][1]   0.031433 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_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]   0.018628 
_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]   0.012357 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
H 
N 
O 
S 
# 
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    . ASN A 1 1   ? -0.952  8.873   -32.964 0.49 35.37  ? 17  ASN A N    1 
ATOM   2    C CA   . ASN A 1 1   ? -0.945  9.290   -31.555 0.64 35.38  ? 17  ASN A CA   1 
ATOM   3    C C    . ASN A 1 1   ? 0.463   9.170   -30.979 0.74 35.58  ? 17  ASN A C    1 
ATOM   4    O O    . ASN A 1 1   ? 1.167   8.224   -31.309 0.77 37.70  ? 17  ASN A O    1 
ATOM   5    C CB   . ASN A 1 1   ? -1.914  8.435   -30.733 0.53 35.11  ? 17  ASN A CB   1 
ATOM   6    H HA   . ASN A 1 1   ? -1.225  10.216  -31.491 0.56 42.46  ? 17  ASN A HA   1 
ATOM   7    N N    . ALA A 1 2   ? 0.881   10.159  -30.183 0.81 32.79  ? 18  ALA A N    1 
ATOM   8    C CA   . ALA A 1 2   ? 2.218   10.154  -29.609 0.59 29.91  ? 18  ALA A CA   1 
ATOM   9    C C    . ALA A 1 2   ? 2.384   8.954   -28.694 1.00 25.42  ? 18  ALA A C    1 
ATOM   10   O O    . ALA A 1 2   ? 1.417   8.438   -28.127 0.71 25.03  ? 18  ALA A O    1 
ATOM   11   C CB   . ALA A 1 2   ? 2.433   11.407  -28.772 0.65 31.08  ? 18  ALA A CB   1 
ATOM   12   H H    . ALA A 1 2   ? 0.406   10.841  -29.964 0.73 39.35  ? 18  ALA A H    1 
ATOM   13   H HA   . ALA A 1 2   ? 2.887   10.118  -30.311 0.65 35.89  ? 18  ALA A HA   1 
ATOM   14   H HB1  . ALA A 1 2   ? 2.328   12.187  -29.339 0.58 37.30  ? 18  ALA A HB1  1 
ATOM   15   H HB2  . ALA A 1 2   ? 3.327   11.387  -28.397 0.64 37.30  ? 18  ALA A HB2  1 
ATOM   16   H HB3  . ALA A 1 2   ? 1.775   11.426  -28.058 0.63 37.30  ? 18  ALA A HB3  1 
ATOM   17   N N    . PHE A 1 3   ? 3.642   8.574   -28.468 1.00 21.85  ? 19  PHE A N    1 
ATOM   18   C CA   . PHE A 1 3   ? 3.961   7.436   -27.624 1.00 17.43  ? 19  PHE A CA   1 
ATOM   19   C C    . PHE A 1 3   ? 3.586   7.734   -26.190 1.00 17.56  ? 19  PHE A C    1 
ATOM   20   O O    . PHE A 1 3   ? 4.039   8.740   -25.587 1.00 20.44  ? 19  PHE A O    1 
ATOM   21   C CB   . PHE A 1 3   ? 5.463   7.186   -27.687 1.00 16.11  ? 19  PHE A CB   1 
ATOM   22   C CG   . PHE A 1 3   ? 5.906   6.005   -26.865 1.00 12.78  ? 19  PHE A CG   1 
ATOM   23   C CD1  . PHE A 1 3   ? 5.880   4.756   -27.384 1.00 11.93  ? 19  PHE A CD1  1 
ATOM   24   C CD2  . PHE A 1 3   ? 6.324   6.157   -25.546 1.00 13.38  ? 19  PHE A CD2  1 
ATOM   25   C CE1  . PHE A 1 3   ? 6.263   3.700   -26.661 1.00 12.13  ? 19  PHE A CE1  1 
ATOM   26   C CE2  . PHE A 1 3   ? 6.741   5.105   -24.837 1.00 12.47  ? 19  PHE A CE2  1 
ATOM   27   C CZ   . PHE A 1 3   ? 6.720   3.863   -25.392 1.00 11.34  ? 19  PHE A CZ   1 
ATOM   28   H H    . PHE A 1 3   ? 4.332   8.967   -28.798 1.00 26.22  ? 19  PHE A H    1 
ATOM   29   H HA   . PHE A 1 3   ? 3.487   6.645   -27.925 1.00 20.92  ? 19  PHE A HA   1 
ATOM   30   H HB2  . PHE A 1 3   ? 5.714   7.020   -28.609 1.00 19.33  ? 19  PHE A HB2  1 
ATOM   31   H HB3  . PHE A 1 3   ? 5.926   7.971   -27.355 1.00 19.33  ? 19  PHE A HB3  1 
ATOM   32   H HD1  . PHE A 1 3   ? 5.592   4.631   -28.259 1.00 14.32  ? 19  PHE A HD1  1 
ATOM   33   H HD2  . PHE A 1 3   ? 6.363   7.007   -25.171 1.00 16.06  ? 19  PHE A HD2  1 
ATOM   34   H HE1  . PHE A 1 3   ? 6.254   2.852   -27.042 1.00 14.55  ? 19  PHE A HE1  1 
ATOM   35   H HE2  . PHE A 1 3   ? 7.027   5.219   -23.959 1.00 14.96  ? 19  PHE A HE2  1 
ATOM   36   H HZ   . PHE A 1 3   ? 6.978   3.123   -24.890 1.00 13.60  ? 19  PHE A HZ   1 
ATOM   37   N N    A THR A 1 4   ? 2.712   6.899   -25.642 0.75 15.36  ? 20  THR A N    1 
ATOM   38   N N    B THR A 1 4   ? 2.710   6.904   -25.638 0.25 18.20  ? 20  THR A N    1 
ATOM   39   C CA   A THR A 1 4   ? 2.170   7.141   -24.314 0.75 15.71  ? 20  THR A CA   1 
ATOM   40   C CA   B THR A 1 4   ? 2.183   7.147   -24.306 0.25 19.14  ? 20  THR A CA   1 
ATOM   41   C C    A THR A 1 4   ? 2.234   5.868   -23.496 0.75 15.03  ? 20  THR A C    1 
ATOM   42   C C    B THR A 1 4   ? 2.229   5.869   -23.494 0.25 17.09  ? 20  THR A C    1 
ATOM   43   O O    A THR A 1 4   ? 1.833   4.794   -23.972 0.75 16.86  ? 20  THR A O    1 
ATOM   44   O O    B THR A 1 4   ? 1.817   4.804   -23.967 0.25 18.81  ? 20  THR A O    1 
ATOM   45   C CB   A THR A 1 4   ? 0.674   7.561   -24.383 0.75 18.60  ? 20  THR A CB   1 
ATOM   46   C CB   B THR A 1 4   ? 0.736   7.659   -24.337 0.25 21.99  ? 20  THR A CB   1 
ATOM   47   O OG1  A THR A 1 4   ? 0.498   8.667   -25.287 0.75 21.81  ? 20  THR A OG1  1 
ATOM   48   O OG1  B THR A 1 4   ? -0.116  6.673   -24.925 0.25 23.60  ? 20  THR A OG1  1 
ATOM   49   C CG2  A THR A 1 4   ? 0.159   8.007   -23.039 0.75 17.63  ? 20  THR A CG2  1 
ATOM   50   C CG2  B THR A 1 4   ? 0.633   8.934   -25.145 0.25 23.01  ? 20  THR A CG2  1 
ATOM   51   H H    A THR A 1 4   ? 2.417   6.184   -26.019 0.75 18.43  ? 20  THR A H    1 
ATOM   52   H H    B THR A 1 4   ? 2.405   6.193   -26.016 0.25 21.84  ? 20  THR A H    1 
ATOM   53   H HA   A THR A 1 4   ? 2.677   7.836   -23.865 0.75 18.85  ? 20  THR A HA   1 
ATOM   54   H HA   B THR A 1 4   ? 2.732   7.811   -23.861 0.25 22.96  ? 20  THR A HA   1 
ATOM   55   H HB   A THR A 1 4   ? 0.139   6.809   -24.683 0.75 22.33  ? 20  THR A HB   1 
ATOM   56   H HB   B THR A 1 4   ? 0.439   7.845   -23.432 0.25 26.38  ? 20  THR A HB   1 
ATOM   57   H HG1  A THR A 1 4   ? -0.312  8.887   -25.318 0.75 26.17  ? 20  THR A HG1  1 
ATOM   58   H HG1  B THR A 1 4   ? -0.087  5.963   -24.476 0.25 28.32  ? 20  THR A HG1  1 
ATOM   59   H HG21 A THR A 1 4   ? 0.240   7.284   -22.397 0.75 21.16  ? 20  THR A HG21 1 
ATOM   60   H HG21 B THR A 1 4   ? -0.286  9.246   -25.156 0.25 27.61  ? 20  THR A HG21 1 
ATOM   61   H HG22 A THR A 1 4   ? -0.774  8.262   -23.109 0.75 21.16  ? 20  THR A HG22 1 
ATOM   62   H HG22 B THR A 1 4   ? 0.921   8.773   -26.057 0.25 27.61  ? 20  THR A HG22 1 
ATOM   63   H HG23 A THR A 1 4   ? 0.671   8.768   -22.724 0.75 21.16  ? 20  THR A HG23 1 
ATOM   64   H HG23 B THR A 1 4   ? 1.194   9.621   -24.754 0.25 27.61  ? 20  THR A HG23 1 
ATOM   65   N N    . VAL A 1 5   ? 2.722   5.993   -22.277 1.00 13.59  ? 21  VAL A N    1 
ATOM   66   C CA   . VAL A 1 5   ? 2.663   4.935   -21.290 1.00 11.59  ? 21  VAL A CA   1 
ATOM   67   C C    . VAL A 1 5   ? 1.384   5.124   -20.474 0.92 11.76  ? 21  VAL A C    1 
ATOM   68   O O    . VAL A 1 5   ? 1.090   6.261   -20.091 0.92 12.37  ? 21  VAL A O    1 
ATOM   69   C CB   . VAL A 1 5   ? 3.911   4.983   -20.408 0.97 11.70  ? 21  VAL A CB   1 
ATOM   70   C CG1  . VAL A 1 5   ? 3.785   4.097   -19.180 0.81 10.97  ? 21  VAL A CG1  1 
ATOM   71   C CG2  . VAL A 1 5   ? 5.157   4.568   -21.216 0.81 11.54  ? 21  VAL A CG2  1 
ATOM   72   H H    . VAL A 1 5   ? 3.108   6.704   -21.987 1.00 16.31  ? 21  VAL A H    1 
ATOM   73   H HA   . VAL A 1 5   ? 2.627   4.073   -21.733 1.00 13.91  ? 21  VAL A HA   1 
ATOM   74   H HB   . VAL A 1 5   ? 4.044   5.895   -20.104 0.93 14.04  ? 21  VAL A HB   1 
ATOM   75   H HG11 . VAL A 1 5   ? 3.027   4.395   -18.652 0.86 13.16  ? 21  VAL A HG11 1 
ATOM   76   H HG12 . VAL A 1 5   ? 4.599   4.165   -18.657 0.87 13.16  ? 21  VAL A HG12 1 
ATOM   77   H HG13 . VAL A 1 5   ? 3.650   3.180   -19.465 0.86 13.16  ? 21  VAL A HG13 1 
ATOM   78   H HG21 . VAL A 1 5   ? 5.033   3.664   -21.546 0.84 13.84  ? 21  VAL A HG21 1 
ATOM   79   H HG22 . VAL A 1 5   ? 5.935   4.606   -20.638 0.85 13.84  ? 21  VAL A HG22 1 
ATOM   80   H HG23 . VAL A 1 5   ? 5.268   5.180   -21.961 0.86 13.84  ? 21  VAL A HG23 1 
ATOM   81   N N    . THR A 1 6   ? 0.613   4.035   -20.253 1.00 12.74  ? 22  THR A N    1 
ATOM   82   C CA   . THR A 1 6   ? -0.638  4.073   -19.527 1.00 13.20  ? 22  THR A CA   1 
ATOM   83   C C    . THR A 1 6   ? -0.479  3.257   -18.250 1.00 11.76  ? 22  THR A C    1 
ATOM   84   O O    . THR A 1 6   ? 0.355   2.361   -18.151 1.00 11.51  ? 22  THR A O    1 
ATOM   85   C CB   . THR A 1 6   ? -1.868  3.570   -20.381 1.00 14.85  ? 22  THR A CB   1 
ATOM   86   O OG1  . THR A 1 6   ? -1.834  2.146   -20.558 1.00 16.97  ? 22  THR A OG1  1 
ATOM   87   C CG2  . THR A 1 6   ? -2.032  4.317   -21.656 1.00 18.05  ? 22  THR A CG2  1 
ATOM   88   H H    . THR A 1 6   ? 0.816   3.247   -20.531 1.00 15.29  ? 22  THR A H    1 
ATOM   89   H HA   . THR A 1 6   ? -0.817  4.991   -19.269 1.00 15.84  ? 22  THR A HA   1 
ATOM   90   H HB   . THR A 1 6   ? -2.664  3.766   -19.862 1.00 17.82  ? 22  THR A HB   1 
ATOM   91   N N    . VAL A 1 7   ? -1.325  3.543   -17.276 0.97 12.34  ? 23  VAL A N    1 
ATOM   92   C CA   . VAL A 1 7   ? -1.391  2.747   -16.077 1.00 11.79  ? 23  VAL A CA   1 
ATOM   93   C C    . VAL A 1 7   ? -2.811  2.213   -15.898 1.00 11.86  ? 23  VAL A C    1 
ATOM   94   O O    . VAL A 1 7   ? -3.786  2.983   -16.027 0.92 13.17  ? 23  VAL A O    1 
ATOM   95   C CB   . VAL A 1 7   ? -0.953  3.475   -14.805 0.92 11.76  ? 23  VAL A CB   1 
ATOM   96   C CG1  . VAL A 1 7   ? 0.533   3.727   -14.894 0.75 11.28  ? 23  VAL A CG1  1 
ATOM   97   C CG2  . VAL A 1 7   ? -1.773  4.744   -14.541 0.78 12.46  ? 23  VAL A CG2  1 
ATOM   98   H H    . VAL A 1 7   ? -1.876  4.203   -17.290 0.92 14.81  ? 23  VAL A H    1 
ATOM   99   H HA   . VAL A 1 7   ? -0.805  1.981   -16.187 1.00 14.15  ? 23  VAL A HA   1 
ATOM   100  H HB   . VAL A 1 7   ? -1.097  2.880   -14.053 0.96 14.11  ? 23  VAL A HB   1 
ATOM   101  H HG11 . VAL A 1 7   ? 0.993   2.877   -14.971 0.85 13.54  ? 23  VAL A HG11 1 
ATOM   102  H HG12 . VAL A 1 7   ? 0.823   4.189   -14.092 0.74 13.54  ? 23  VAL A HG12 1 
ATOM   103  H HG13 . VAL A 1 7   ? 0.714   4.273   -15.675 0.76 13.54  ? 23  VAL A HG13 1 
ATOM   104  H HG21 . VAL A 1 7   ? -1.665  5.351   -15.289 0.82 14.96  ? 23  VAL A HG21 1 
ATOM   105  H HG22 . VAL A 1 7   ? -1.453  5.162   -13.726 0.82 14.96  ? 23  VAL A HG22 1 
ATOM   106  H HG23 . VAL A 1 7   ? -2.707  4.501   -14.443 0.79 14.96  ? 23  VAL A HG23 1 
ATOM   107  N N    A PRO A 1 8   ? -2.972  0.927   -15.507 0.47 11.10  ? 24  PRO A N    1 
ATOM   108  N N    B PRO A 1 8   ? -2.980  0.987   -15.470 0.53 11.79  ? 24  PRO A N    1 
ATOM   109  C CA   A PRO A 1 8   ? -4.319  0.440   -15.102 0.47 11.00  ? 24  PRO A CA   1 
ATOM   110  C CA   B PRO A 1 8   ? -4.354  0.544   -15.182 0.53 11.57  ? 24  PRO A CA   1 
ATOM   111  C C    A PRO A 1 8   ? -4.916  1.270   -14.011 0.47 10.13  ? 24  PRO A C    1 
ATOM   112  C C    B PRO A 1 8   ? -4.935  1.236   -14.003 0.53 9.93   ? 24  PRO A C    1 
ATOM   113  O O    A PRO A 1 8   ? -6.114  1.554   -13.987 0.47 10.48  ? 24  PRO A O    1 
ATOM   114  O O    B PRO A 1 8   ? -6.152  1.392   -13.924 0.53 9.95   ? 24  PRO A O    1 
ATOM   115  C CB   A PRO A 1 8   ? -4.050  -1.024  -14.640 0.47 12.39  ? 24  PRO A CB   1 
ATOM   116  C CB   B PRO A 1 8   ? -4.195  -0.978  -15.006 0.53 13.55  ? 24  PRO A CB   1 
ATOM   117  C CG   A PRO A 1 8   ? -2.978  -1.477  -15.586 0.47 10.90  ? 24  PRO A CG   1 
ATOM   118  C CG   B PRO A 1 8   ? -2.760  -1.102  -14.701 0.53 12.71  ? 24  PRO A CG   1 
ATOM   119  C CD   A PRO A 1 8   ? -2.093  -0.211  -15.832 0.47 10.99  ? 24  PRO A CD   1 
ATOM   120  C CD   B PRO A 1 8   ? -2.018  -0.131  -15.458 0.53 12.41  ? 24  PRO A CD   1 
ATOM   121  H HA   A PRO A 1 8   ? -4.918  0.431   -15.865 0.47 13.20  ? 24  PRO A HA   1 
ATOM   122  H HA   B PRO A 1 8   ? -4.921  0.712   -15.951 0.53 13.88  ? 24  PRO A HA   1 
ATOM   123  H HB2  A PRO A 1 8   ? -3.734  -1.031  -13.723 0.47 14.87  ? 24  PRO A HB2  1 
ATOM   124  H HB2  B PRO A 1 8   ? -4.741  -1.290  -14.267 0.53 16.26  ? 24  PRO A HB2  1 
ATOM   125  H HB3  A PRO A 1 8   ? -4.853  -1.558  -14.739 0.47 14.87  ? 24  PRO A HB3  1 
ATOM   126  H HB3  B PRO A 1 8   ? -4.421  -1.437  -15.831 0.53 16.26  ? 24  PRO A HB3  1 
ATOM   127  H HG2  A PRO A 1 8   ? -2.457  -2.185  -15.175 0.47 13.08  ? 24  PRO A HG2  1 
ATOM   128  H HG2  B PRO A 1 8   ? -2.628  -0.950  -13.752 0.53 15.25  ? 24  PRO A HG2  1 
ATOM   129  H HG3  A PRO A 1 8   ? -3.379  -1.782  -16.414 0.47 13.08  ? 24  PRO A HG3  1 
ATOM   130  H HG3  B PRO A 1 8   ? -2.466  -1.996  -14.935 0.53 15.25  ? 24  PRO A HG3  1 
ATOM   131  H HD2  A PRO A 1 8   ? -1.324  -0.220  -15.241 0.47 13.19  ? 24  PRO A HD2  1 
ATOM   132  H HD2  B PRO A 1 8   ? -1.202  0.119   -14.996 0.53 14.89  ? 24  PRO A HD2  1 
ATOM   133  H HD3  A PRO A 1 8   ? -1.822  -0.169  -16.762 0.47 13.19  ? 24  PRO A HD3  1 
ATOM   134  H HD3  B PRO A 1 8   ? -1.846  -0.451  -16.358 0.53 14.89  ? 24  PRO A HD3  1 
ATOM   135  N N    . LYS A 1 9   ? -4.076  1.633   -13.046 1.00 9.76   ? 25  LYS A N    1 
ATOM   136  C CA   . LYS A 1 9   ? -4.474  2.473   -11.931 0.98 10.29  ? 25  LYS A CA   1 
ATOM   137  C C    . LYS A 1 9   ? -3.184  3.096   -11.384 0.97 9.53   ? 25  LYS A C    1 
ATOM   138  O O    . LYS A 1 9   ? -2.066  2.607   -11.618 0.86 9.04   ? 25  LYS A O    1 
ATOM   139  C CB   . LYS A 1 9   ? -5.269  1.791   -10.848 0.84 9.92   ? 25  LYS A CB   1 
ATOM   140  C CG   . LYS A 1 9   ? -4.544  0.664   -10.152 0.98 11.06  ? 25  LYS A CG   1 
ATOM   141  C CD   . LYS A 1 9   ? -5.417  -0.032  -9.133  0.83 11.34  ? 25  LYS A CD   1 
ATOM   142  C CE   . LYS A 1 9   ? -4.708  -1.159  -8.472  0.95 11.48  ? 25  LYS A CE   1 
ATOM   143  N NZ   . LYS A 1 9   ? -5.504  -1.925  -7.531  0.77 12.98  ? 25  LYS A NZ   1 
ATOM   144  H H    . LYS A 1 9   ? -3.246  1.409   -13.023 1.00 11.71  ? 25  LYS A H    1 
ATOM   145  H HA   . LYS A 1 9   ? -5.021  3.197   -12.275 1.00 12.35  ? 25  LYS A HA   1 
ATOM   146  H HB2  . LYS A 1 9   ? -5.504  2.449   -10.175 0.81 11.91  ? 25  LYS A HB2  1 
ATOM   147  H HB3  . LYS A 1 9   ? -6.075  1.423   -11.241 0.79 11.91  ? 25  LYS A HB3  1 
ATOM   148  H HG2  . LYS A 1 9   ? -4.268  0.009   -10.811 1.00 13.28  ? 25  LYS A HG2  1 
ATOM   149  H HG3  . LYS A 1 9   ? -3.769  1.022   -9.691  0.99 13.28  ? 25  LYS A HG3  1 
ATOM   150  H HD2  . LYS A 1 9   ? -5.678  0.604   -8.449  0.76 13.60  ? 25  LYS A HD2  1 
ATOM   151  H HD3  . LYS A 1 9   ? -6.203  -0.388  -9.576  0.75 13.60  ? 25  LYS A HD3  1 
ATOM   152  H HE2  . LYS A 1 9   ? -4.398  -1.771  -9.158  0.93 13.78  ? 25  LYS A HE2  1 
ATOM   153  H HE3  . LYS A 1 9   ? -3.948  -0.801  -7.988  0.95 13.78  ? 25  LYS A HE3  1 
ATOM   154  H HZ1  . LYS A 1 9   ? -5.794  -1.396  -6.877  0.80 15.58  ? 25  LYS A HZ1  1 
ATOM   155  H HZ2  . LYS A 1 9   ? -5.013  -2.578  -7.179  0.81 15.58  ? 25  LYS A HZ2  1 
ATOM   156  H HZ3  . LYS A 1 9   ? -6.206  -2.282  -7.946  0.80 15.58  ? 25  LYS A HZ3  1 
ATOM   157  N N    . ASP A 1 10  ? -3.358  4.180   -10.656 1.00 9.82   ? 26  ASP A N    1 
ATOM   158  C CA   . ASP A 1 10  ? -2.217  4.936   -10.132 0.97 10.25  ? 26  ASP A CA   1 
ATOM   159  C C    . ASP A 1 10  ? -2.021  4.810   -8.651  0.94 8.63   ? 26  ASP A C    1 
ATOM   160  O O    . ASP A 1 10  ? -1.114  5.486   -8.099  0.89 9.21   ? 26  ASP A O    1 
ATOM   161  C CB   . ASP A 1 10  ? -2.229  6.393   -10.580 0.99 12.00  ? 26  ASP A CB   1 
ATOM   162  C CG   . ASP A 1 10  ? -3.268  7.180   -9.906  0.95 12.87  ? 26  ASP A CG   1 
ATOM   163  O OD1  . ASP A 1 10  ? -4.025  6.658   -9.107  1.00 13.11  ? 26  ASP A OD1  1 
ATOM   164  O OD2  . ASP A 1 10  ? -3.408  8.436   -10.210 0.69 15.07  ? 26  ASP A OD2  1 
ATOM   165  H H    . ASP A 1 10  ? -4.124  4.507   -10.445 1.00 11.79  ? 26  ASP A H    1 
ATOM   166  H HA   . ASP A 1 10  ? -1.423  4.548   -10.532 0.95 12.30  ? 26  ASP A HA   1 
ATOM   167  H HB2  . ASP A 1 10  ? -1.369  6.794   -10.377 0.95 14.40  ? 26  ASP A HB2  1 
ATOM   168  H HB3  . ASP A 1 10  ? -2.396  6.430   -11.535 1.00 14.40  ? 26  ASP A HB3  1 
ATOM   169  N N    . LEU A 1 11  ? -2.766  3.941   -7.980  0.96 9.59   ? 27  LEU A N    1 
ATOM   170  C CA   . LEU A 1 11  ? -2.685  3.757   -6.544  1.00 9.82   ? 27  LEU A CA   1 
ATOM   171  C C    . LEU A 1 11  ? -2.907  2.286   -6.260  0.98 9.43   ? 27  LEU A C    1 
ATOM   172  O O    . LEU A 1 11  ? -3.913  1.717   -6.693  0.84 10.35  ? 27  LEU A O    1 
ATOM   173  C CB   . LEU A 1 11  ? -3.726  4.578   -5.804  0.94 11.01  ? 27  LEU A CB   1 
ATOM   174  C CG   . LEU A 1 11  ? -3.856  4.317   -4.300  1.00 12.19  ? 27  LEU A CG   1 
ATOM   175  C CD1  . LEU A 1 11  ? -2.595  4.665   -3.559  0.97 12.84  ? 27  LEU A CD1  1 
ATOM   176  C CD2  . LEU A 1 11  ? -5.034  5.105   -3.743  0.84 14.14  ? 27  LEU A CD2  1 
ATOM   177  H H    . LEU A 1 11  ? -3.347  3.428   -8.353  0.92 11.51  ? 27  LEU A H    1 
ATOM   178  H HA   . LEU A 1 11  ? -1.804  4.008   -6.228  1.00 11.79  ? 27  LEU A HA   1 
ATOM   179  H HB2  . LEU A 1 11  ? -3.507  5.517   -5.915  0.88 13.21  ? 27  LEU A HB2  1 
ATOM   180  H HB3  . LEU A 1 11  ? -4.593  4.401   -6.203  0.92 13.21  ? 27  LEU A HB3  1 
ATOM   181  H HG   . LEU A 1 11  ? -4.034  3.374   -4.159  1.00 14.63  ? 27  LEU A HG   1 
ATOM   182  H HD11 . LEU A 1 11  ? -1.868  4.125   -3.904  0.92 15.41  ? 27  LEU A HD11 1 
ATOM   183  H HD12 . LEU A 1 11  ? -2.724  4.484   -2.615  0.91 15.41  ? 27  LEU A HD12 1 
ATOM   184  H HD13 . LEU A 1 11  ? -2.401  5.606   -3.693  0.93 15.41  ? 27  LEU A HD13 1 
ATOM   185  H HD21 . LEU A 1 11  ? -4.882  6.050   -3.898  0.88 16.97  ? 27  LEU A HD21 1 
ATOM   186  H HD22 . LEU A 1 11  ? -5.107  4.932   -2.791  0.84 16.97  ? 27  LEU A HD22 1 
ATOM   187  H HD23 . LEU A 1 11  ? -5.844  4.821   -4.194  0.89 16.97  ? 27  LEU A HD23 1 
ATOM   188  N N    . TYR A 1 12  ? -1.974  1.646   -5.559  1.00 8.68   ? 28  TYR A N    1 
ATOM   189  C CA   . TYR A 1 12  ? -2.101  0.268   -5.084  1.00 8.70   ? 28  TYR A CA   1 
ATOM   190  C C    . TYR A 1 12  ? -2.065  0.268   -3.582  1.00 8.62   ? 28  TYR A C    1 
ATOM   191  O O    . TYR A 1 12  ? -1.105  0.773   -2.988  0.98 10.52  ? 28  TYR A O    1 
ATOM   192  C CB   . TYR A 1 12  ? -0.964  -0.636  -5.591  0.99 9.13   ? 28  TYR A CB   1 
ATOM   193  C CG   . TYR A 1 12  ? -1.006  -0.893  -7.088  1.00 8.81   ? 28  TYR A CG   1 
ATOM   194  C CD1  . TYR A 1 12  ? -0.737  0.098   -8.008  0.93 8.70   ? 28  TYR A CD1  1 
ATOM   195  C CD2  . TYR A 1 12  ? -1.306  -2.154  -7.566  0.84 8.60   ? 28  TYR A CD2  1 
ATOM   196  C CE1  . TYR A 1 12  ? -0.730  -0.139  -9.354  1.00 9.21   ? 28  TYR A CE1  1 
ATOM   197  C CE2  . TYR A 1 12  ? -1.292  -2.425  -8.933  0.93 9.20   ? 28  TYR A CE2  1 
ATOM   198  C CZ   . TYR A 1 12  ? -1.018  -1.438  -9.824  0.94 9.01   ? 28  TYR A CZ   1 
ATOM   199  O OH   . TYR A 1 12  ? -0.966  -1.710  -11.181 0.94 9.87   ? 28  TYR A OH   1 
ATOM   200  H H    . TYR A 1 12  ? -1.225  2.006   -5.337  1.00 10.41  ? 28  TYR A H    1 
ATOM   201  H HA   . TYR A 1 12  ? -2.948  -0.103  -5.377  1.00 10.44  ? 28  TYR A HA   1 
ATOM   202  H HB2  . TYR A 1 12  ? -0.114  -0.214  -5.387  1.00 10.96  ? 28  TYR A HB2  1 
ATOM   203  H HB3  . TYR A 1 12  ? -1.021  -1.493  -5.141  0.98 10.96  ? 28  TYR A HB3  1 
ATOM   204  H HD1  . TYR A 1 12  ? -0.528  0.951   -7.702  0.88 10.44  ? 28  TYR A HD1  1 
ATOM   205  H HD2  . TYR A 1 12  ? -1.476  -2.843  -6.964  0.82 10.32  ? 28  TYR A HD2  1 
ATOM   206  H HE1  . TYR A 1 12  ? -0.525  0.543   -9.951  1.00 11.06  ? 28  TYR A HE1  1 
ATOM   207  H HE2  . TYR A 1 12  ? -1.479  -3.284  -9.237  0.87 11.04  ? 28  TYR A HE2  1 
ATOM   208  H HH   . TYR A 1 12  ? -1.159  -2.515  -11.320 0.00 11.85  ? 28  TYR A HH   1 
ATOM   209  N N    . VAL A 1 13  ? -3.055  -0.355  -2.964  1.00 9.14   ? 29  VAL A N    1 
ATOM   210  C CA   . VAL A 1 13  ? -3.096  -0.588  -1.524  1.00 9.85   ? 29  VAL A CA   1 
ATOM   211  C C    . VAL A 1 13  ? -2.776  -2.058  -1.316  1.00 10.11  ? 29  VAL A C    1 
ATOM   212  O O    . VAL A 1 13  ? -3.479  -2.937  -1.840  0.95 11.65  ? 29  VAL A O    1 
ATOM   213  C CB   . VAL A 1 13  ? -4.462  -0.185  -0.932  1.00 11.91  ? 29  VAL A CB   1 
ATOM   214  C CG1  . VAL A 1 13  ? -4.492  -0.531  0.534   0.95 13.90  ? 29  VAL A CG1  1 
ATOM   215  C CG2  . VAL A 1 13  ? -4.764  1.266   -1.218  0.86 13.00  ? 29  VAL A CG2  1 
ATOM   216  H H    . VAL A 1 13  ? -3.745  -0.665  -3.374  1.00 10.97  ? 29  VAL A H    1 
ATOM   217  H HA   . VAL A 1 13  ? -2.407  -0.060  -1.091  1.00 11.82  ? 29  VAL A HA   1 
ATOM   218  H HB   . VAL A 1 13  ? -5.150  -0.713  -1.367  1.00 14.29  ? 29  VAL A HB   1 
ATOM   219  H HG11 . VAL A 1 13  ? -4.360  -1.487  0.635   0.96 16.68  ? 29  VAL A HG11 1 
ATOM   220  H HG12 . VAL A 1 13  ? -5.353  -0.275  0.901   0.93 16.68  ? 29  VAL A HG12 1 
ATOM   221  H HG13 . VAL A 1 13  ? -3.782  -0.049  0.987   0.98 16.68  ? 29  VAL A HG13 1 
ATOM   222  H HG21 . VAL A 1 13  ? -4.072  1.816   -0.820  0.84 15.60  ? 29  VAL A HG21 1 
ATOM   223  H HG22 . VAL A 1 13  ? -5.627  1.489   -0.835  0.79 15.60  ? 29  VAL A HG22 1 
ATOM   224  H HG23 . VAL A 1 13  ? -4.783  1.401   -2.178  0.83 15.60  ? 29  VAL A HG23 1 
ATOM   225  N N    . VAL A 1 14  ? -1.699  -2.330  -0.625  1.00 9.34   ? 30  VAL A N    1 
ATOM   226  C CA   . VAL A 1 14  ? -1.160  -3.686  -0.525  1.00 11.00  ? 30  VAL A CA   1 
ATOM   227  C C    . VAL A 1 14  ? -0.959  -4.067  0.921   1.00 10.27  ? 30  VAL A C    1 
ATOM   228  O O    . VAL A 1 14  ? -0.701  -3.222  1.767   1.00 11.67  ? 30  VAL A O    1 
ATOM   229  C CB   . VAL A 1 14  ? 0.107   -3.849  -1.343  1.00 15.12  ? 30  VAL A CB   1 
ATOM   230  C CG1  . VAL A 1 14  ? -0.027  -3.358  -2.760  1.00 17.92  ? 30  VAL A CG1  1 
ATOM   231  C CG2  . VAL A 1 14  ? 1.174   -3.155  -0.770  1.00 16.57  ? 30  VAL A CG2  1 
ATOM   232  H H    . VAL A 1 14  ? -1.243  -1.743  -0.192  1.00 11.21  ? 30  VAL A H    1 
ATOM   233  H HA   . VAL A 1 14  ? -1.816  -4.299  -0.893  1.00 13.20  ? 30  VAL A HA   1 
ATOM   234  H HB   . VAL A 1 14  ? 0.344   -4.789  -1.374  1.00 18.15  ? 30  VAL A HB   1 
ATOM   235  H HG11 . VAL A 1 14  ? -0.730  -3.859  -3.202  1.00 21.51  ? 30  VAL A HG11 1 
ATOM   236  H HG12 . VAL A 1 14  ? 0.816   -3.492  -3.221  1.00 21.51  ? 30  VAL A HG12 1 
ATOM   237  H HG13 . VAL A 1 14  ? -0.250  -2.414  -2.746  1.00 21.51  ? 30  VAL A HG13 1 
ATOM   238  H HG21 . VAL A 1 14  ? 0.950   -2.213  -0.726  1.00 19.88  ? 30  VAL A HG21 1 
ATOM   239  H HG22 . VAL A 1 14  ? 1.964   -3.283  -1.319  1.00 19.88  ? 30  VAL A HG22 1 
ATOM   240  H HG23 . VAL A 1 14  ? 1.332   -3.501  0.122   1.00 19.88  ? 30  VAL A HG23 1 
ATOM   241  N N    . GLU A 1 15  ? -1.058  -5.352  1.225   1.00 11.26  ? 31  GLU A N    1 
ATOM   242  C CA   . GLU A 1 15  ? -0.849  -5.818  2.584   1.00 11.65  ? 31  GLU A CA   1 
ATOM   243  C C    . GLU A 1 15  ? 0.632   -6.045  2.862   1.00 10.70  ? 31  GLU A C    1 
ATOM   244  O O    . GLU A 1 15  ? 1.364   -6.636  2.065   1.00 11.74  ? 31  GLU A O    1 
ATOM   245  C CB   . GLU A 1 15  ? -1.619  -7.116  2.804   0.99 13.38  ? 31  GLU A CB   1 
ATOM   246  C CG   . GLU A 1 15  ? -3.125  -7.024  2.541   0.95 16.20  ? 31  GLU A CG   1 
ATOM   247  C CD   . GLU A 1 15  ? -3.802  -5.943  3.340   0.98 19.55  ? 31  GLU A CD   1 
ATOM   248  O OE1  . GLU A 1 15  ? -3.638  -5.876  4.559   0.95 20.82  ? 31  GLU A OE1  1 
ATOM   249  O OE2  . GLU A 1 15  ? -4.444  -5.074  2.773   0.75 21.05  ? 31  GLU A OE2  1 
ATOM   250  H H    . GLU A 1 15  ? -1.245  -5.975  0.662   1.00 13.51  ? 31  GLU A H    1 
ATOM   251  H HA   . GLU A 1 15  ? -1.181  -5.154  3.208   1.00 13.98  ? 31  GLU A HA   1 
ATOM   252  H HB2  . GLU A 1 15  ? -1.258  -7.794  2.211   0.92 16.05  ? 31  GLU A HB2  1 
ATOM   253  H HB3  . GLU A 1 15  ? -1.499  -7.394  3.726   0.97 16.05  ? 31  GLU A HB3  1 
ATOM   254  H HG2  . GLU A 1 15  ? -3.269  -6.834  1.600   0.96 19.44  ? 31  GLU A HG2  1 
ATOM   255  H HG3  . GLU A 1 15  ? -3.538  -7.870  2.774   0.93 19.44  ? 31  GLU A HG3  1 
ATOM   256  N N    . TYR A 1 16  ? 1.071   -5.659  4.051   0.93 10.46  ? 32  TYR A N    1 
ATOM   257  C CA   . TYR A 1 16  ? 2.437   -5.963  4.518   0.95 10.58  ? 32  TYR A CA   1 
ATOM   258  C C    . TYR A 1 16  ? 2.689   -7.473  4.371   0.92 11.23  ? 32  TYR A C    1 
ATOM   259  O O    . TYR A 1 16  ? 1.839   -8.281  4.746   0.98 12.07  ? 32  TYR A O    1 
ATOM   260  C CB   . TYR A 1 16  ? 2.546   -5.571  5.997   0.98 11.10  ? 32  TYR A CB   1 
ATOM   261  C CG   . TYR A 1 16  ? 3.881   -5.897  6.626   1.00 11.00  ? 32  TYR A CG   1 
ATOM   262  C CD1  . TYR A 1 16  ? 4.960   -5.026  6.567   0.99 11.21  ? 32  TYR A CD1  1 
ATOM   263  C CD2  . TYR A 1 16  ? 4.070   -7.084  7.294   0.90 11.66  ? 32  TYR A CD2  1 
ATOM   264  C CE1  . TYR A 1 16  ? 6.163   -5.341  7.120   0.97 12.02  ? 32  TYR A CE1  1 
ATOM   265  C CE2  . TYR A 1 16  ? 5.286   -7.388  7.845   0.91 12.44  ? 32  TYR A CE2  1 
ATOM   266  C CZ   . TYR A 1 16  ? 6.330   -6.526  7.747   1.00 12.32  ? 32  TYR A CZ   1 
ATOM   267  O OH   . TYR A 1 16  ? 7.545   -6.880  8.278   0.94 14.95  ? 32  TYR A OH   1 
ATOM   268  H H    . TYR A 1 16  ? 0.602   -5.215  4.618   0.90 12.55  ? 32  TYR A H    1 
ATOM   269  H HA   . TYR A 1 16  ? 3.094   -5.471  4.000   0.95 12.69  ? 32  TYR A HA   1 
ATOM   270  H HB2  . TYR A 1 16  ? 2.408   -4.614  6.076   0.99 13.32  ? 32  TYR A HB2  1 
ATOM   271  H HB3  . TYR A 1 16  ? 1.861   -6.043  6.495   1.00 13.32  ? 32  TYR A HB3  1 
ATOM   272  H HD1  . TYR A 1 16  ? 4.865   -4.216  6.119   0.93 13.45  ? 32  TYR A HD1  1 
ATOM   273  H HD2  . TYR A 1 16  ? 3.373   -7.696  7.353   0.96 13.99  ? 32  TYR A HD2  1 
ATOM   274  H HE1  . TYR A 1 16  ? 6.877   -4.750  7.046   0.89 14.43  ? 32  TYR A HE1  1 
ATOM   275  H HE2  . TYR A 1 16  ? 5.404   -8.205  8.273   0.90 14.93  ? 32  TYR A HE2  1 
ATOM   276  H HH   . TYR A 1 16  ? 8.105   -6.268  8.145   0.00 17.94  ? 32  TYR A HH   1 
ATOM   277  N N    . GLY A 1 17  ? 3.844   -7.851  3.821   1.00 11.96  ? 33  GLY A N    1 
ATOM   278  C CA   . GLY A 1 17  ? 4.220   -9.269  3.681   0.91 13.59  ? 33  GLY A CA   1 
ATOM   279  C C    . GLY A 1 17  ? 3.677   -9.952  2.452   0.93 14.32  ? 33  GLY A C    1 
ATOM   280  O O    . GLY A 1 17  ? 4.047   -11.087 2.180   0.80 16.90  ? 33  GLY A O    1 
ATOM   281  H H    . GLY A 1 17  ? 4.435   -7.305  3.516   0.93 14.35  ? 33  GLY A H    1 
ATOM   282  H HA2  . GLY A 1 17  ? 5.187   -9.338  3.659   0.95 16.31  ? 33  GLY A HA2  1 
ATOM   283  H HA3  . GLY A 1 17  ? 3.903   -9.757  4.458   0.91 16.31  ? 33  GLY A HA3  1 
ATOM   284  N N    . SER A 1 18  ? 2.825   -9.308  1.679   1.00 12.80  ? 34  SER A N    1 
ATOM   285  C CA   . SER A 1 18  ? 2.307   -9.835  0.447   0.93 11.67  ? 34  SER A CA   1 
ATOM   286  C C    . SER A 1 18  ? 3.319   -9.635  -0.684  1.00 10.91  ? 34  SER A C    1 
ATOM   287  O O    . SER A 1 18  ? 4.347   -9.027  -0.528  1.00 13.25  ? 34  SER A O    1 
ATOM   288  C CB   . SER A 1 18  ? 0.988   -9.185  0.107   0.80 12.00  ? 34  SER A CB   1 
ATOM   289  O OG   . SER A 1 18  ? 1.152   -7.827  -0.350  0.86 12.50  ? 34  SER A OG   1 
ATOM   290  H H    . SER A 1 18  ? 2.521   -8.525  1.863   1.00 15.35  ? 34  SER A H    1 
ATOM   291  H HA   . SER A 1 18  ? 2.155   -10.787 0.549   0.86 14.00  ? 34  SER A HA   1 
ATOM   292  H HB2  . SER A 1 18  ? 0.558   -9.700  -0.594  0.86 14.39  ? 34  SER A HB2  1 
ATOM   293  H HB3  . SER A 1 18  ? 0.429   -9.181  0.900   0.83 14.39  ? 34  SER A HB3  1 
ATOM   294  H HG   . SER A 1 18  ? 0.404   -7.492  -0.531  0.00 15.00  ? 34  SER A HG   1 
ATOM   295  N N    . ASN A 1 19  ? 2.971   -10.145 -1.848  1.00 11.21  ? 35  ASN A N    1 
ATOM   296  C CA   . ASN A 1 19  ? 3.667   -9.840  -3.081  1.00 11.71  ? 35  ASN A CA   1 
ATOM   297  C C    . ASN A 1 19  ? 2.807   -8.882  -3.891  0.97 11.69  ? 35  ASN A C    1 
ATOM   298  O O    . ASN A 1 19  ? 1.573   -9.037  -3.951  0.78 13.69  ? 35  ASN A O    1 
ATOM   299  C CB   . ASN A 1 19  ? 3.883   -11.126 -3.874  1.00 12.87  ? 35  ASN A CB   1 
ATOM   300  C CG   . ASN A 1 19  ? 4.727   -12.145 -3.104  0.85 14.63  ? 35  ASN A CG   1 
ATOM   301  O OD1  . ASN A 1 19  ? 5.459   -11.831 -2.193  0.85 13.10  ? 35  ASN A OD1  1 
ATOM   302  N ND2  . ASN A 1 19  ? 4.561   -13.416 -3.455  0.59 17.10  ? 35  ASN A ND2  1 
ATOM   303  H H    . ASN A 1 19  ? 2.312   -10.688 -1.953  1.00 13.45  ? 35  ASN A H    1 
ATOM   304  H HA   . ASN A 1 19  ? 4.525   -9.427  -2.894  1.00 14.06  ? 35  ASN A HA   1 
ATOM   305  H HB2  . ASN A 1 19  ? 3.022   -11.531 -4.065  1.00 15.44  ? 35  ASN A HB2  1 
ATOM   306  H HB3  . ASN A 1 19  ? 4.343   -10.916 -4.702  1.00 15.44  ? 35  ASN A HB3  1 
ATOM   307  H HD21 . ASN A 1 19  ? 5.009   -14.033 -3.057  0.00 20.52  ? 35  ASN A HD21 1 
ATOM   308  H HD22 . ASN A 1 19  ? 4.007   -13.621 -4.079  0.00 20.52  ? 35  ASN A HD22 1 
ATOM   309  N N    . MET A 1 20  ? 3.419   -7.877  -4.501  1.00 10.65  ? 36  MET A N    1 
ATOM   310  C CA   . MET A 1 20  ? 2.663   -6.937  -5.320  1.00 11.24  ? 36  MET A CA   1 
ATOM   311  C C    . MET A 1 20  ? 3.227   -6.924  -6.722  1.00 9.96   ? 36  MET A C    1 
ATOM   312  O O    . MET A 1 20  ? 4.426   -7.094  -6.933  1.00 10.22  ? 36  MET A O    1 
ATOM   313  C CB   . MET A 1 20  ? 2.642   -5.549  -4.761  1.00 12.62  ? 36  MET A CB   1 
ATOM   314  C CG   . MET A 1 20  ? 3.930   -4.827  -4.796  1.00 13.45  ? 36  MET A CG   1 
ATOM   315  S SD   . MET A 1 20  ? 3.731   -3.208  -4.076  1.00 13.91  ? 36  MET A SD   1 
ATOM   316  C CE   . MET A 1 20  ? 5.424   -2.857  -4.060  1.00 15.51  ? 36  MET A CE   1 
ATOM   317  H H    . MET A 1 20  ? 4.263   -7.717  -4.459  0.87 12.78  ? 36  MET A H    1 
ATOM   318  H HA   . MET A 1 20  ? 1.743   -7.243  -5.364  1.00 13.49  ? 36  MET A HA   1 
ATOM   319  H HB2  . MET A 1 20  ? 2.002   -5.025  -5.266  1.00 15.15  ? 36  MET A HB2  1 
ATOM   320  H HB3  . MET A 1 20  ? 2.361   -5.597  -3.834  1.00 15.15  ? 36  MET A HB3  1 
ATOM   321  H HG2  . MET A 1 20  ? 4.591   -5.316  -4.282  1.00 16.13  ? 36  MET A HG2  1 
ATOM   322  H HG3  . MET A 1 20  ? 4.220   -4.724  -5.716  1.00 16.13  ? 36  MET A HG3  1 
ATOM   323  H HE1  . MET A 1 20  ? 5.878   -3.519  -3.516  1.00 18.61  ? 36  MET A HE1  1 
ATOM   324  H HE2  . MET A 1 20  ? 5.558   -1.972  -3.686  1.00 18.61  ? 36  MET A HE2  1 
ATOM   325  H HE3  . MET A 1 20  ? 5.761   -2.887  -4.969  1.00 18.61  ? 36  MET A HE3  1 
ATOM   326  N N    . THR A 1 21  ? 2.337   -6.686  -7.699  0.99 9.45   ? 37  THR A N    1 
ATOM   327  C CA   . THR A 1 21  ? 2.702   -6.494  -9.084  1.00 9.22   ? 37  THR A CA   1 
ATOM   328  C C    . THR A 1 21  ? 2.088   -5.168  -9.530  1.00 8.90   ? 37  THR A C    1 
ATOM   329  O O    . THR A 1 21  ? 0.852   -5.028  -9.513  1.00 11.39  ? 37  THR A O    1 
ATOM   330  C CB   . THR A 1 21  ? 2.270   -7.646  -9.993  1.00 10.27  ? 37  THR A CB   1 
ATOM   331  O OG1  . THR A 1 21  ? 2.849   -8.838  -9.509  1.00 12.75  ? 37  THR A OG1  1 
ATOM   332  C CG2  . THR A 1 21  ? 2.717   -7.431  -11.408 0.92 11.18  ? 37  THR A CG2  1 
ATOM   333  H H    . THR A 1 21  ? 1.489   -6.633  -7.563  0.90 11.34  ? 37  THR A H    1 
ATOM   334  H HA   . THR A 1 21  ? 3.666   -6.413  -9.147  1.00 11.06  ? 37  THR A HA   1 
ATOM   335  H HB   . THR A 1 21  ? 1.303   -7.725  -9.983  1.00 12.33  ? 37  THR A HB   1 
ATOM   336  H HG1  . THR A 1 21  ? 2.623   -9.484  -9.996  0.00 15.30  ? 37  THR A HG1  1 
ATOM   337  H HG21 . THR A 1 21  ? 2.333   -6.612  -11.756 0.85 13.41  ? 37  THR A HG21 1 
ATOM   338  H HG22 . THR A 1 21  ? 2.431   -8.174  -11.962 0.84 13.41  ? 37  THR A HG22 1 
ATOM   339  H HG23 . THR A 1 21  ? 3.685   -7.366  -11.443 0.81 13.41  ? 37  THR A HG23 1 
ATOM   340  N N    . ILE A 1 22  ? 2.909   -4.203  -9.918  1.00 7.92   ? 38  ILE A N    1 
ATOM   341  C CA   . ILE A 1 22  ? 2.453   -2.915  -10.420 1.00 7.93   ? 38  ILE A CA   1 
ATOM   342  C C    . ILE A 1 22  ? 2.818   -2.814  -11.885 0.92 6.96   ? 38  ILE A C    1 
ATOM   343  O O    . ILE A 1 22  ? 3.835   -3.321  -12.333 0.96 8.49   ? 38  ILE A O    1 
ATOM   344  C CB   . ILE A 1 22  ? 2.945   -1.747  -9.537  0.91 8.66   ? 38  ILE A CB   1 
ATOM   345  C CG1  . ILE A 1 22  ? 4.415   -1.571  -9.561  0.83 8.30   ? 38  ILE A CG1  1 
ATOM   346  C CG2  . ILE A 1 22  ? 2.411   -1.910  -8.113  0.88 9.21   ? 38  ILE A CG2  1 
ATOM   347  C CD1  . ILE A 1 22  ? 4.906   -0.305  -8.803  0.67 8.50   ? 38  ILE A CD1  1 
ATOM   348  H H    . ILE A 1 22  ? 3.766   -4.274  -9.898  0.97 9.50   ? 38  ILE A H    1 
ATOM   349  H HA   . ILE A 1 22  ? 1.484   -2.907  -10.374 1.00 9.52   ? 38  ILE A HA   1 
ATOM   350  H HB   . ILE A 1 22  ? 2.555   -0.934  -9.896  0.94 10.40  ? 38  ILE A HB   1 
ATOM   351  H HG12 . ILE A 1 22  ? 4.829   -2.344  -9.147  0.96 9.96   ? 38  ILE A HG12 1 
ATOM   352  H HG13 . ILE A 1 22  ? 4.706   -1.496  -10.483 0.91 9.96   ? 38  ILE A HG13 1 
ATOM   353  H HG21 . ILE A 1 22  ? 1.441   -1.910  -8.138  0.96 11.05  ? 38  ILE A HG21 1 
ATOM   354  H HG22 . ILE A 1 22  ? 2.728   -1.171  -7.571  0.91 11.05  ? 38  ILE A HG22 1 
ATOM   355  H HG23 . ILE A 1 22  ? 2.733   -2.749  -7.749  0.97 11.05  ? 38  ILE A HG23 1 
ATOM   356  H HD11 . ILE A 1 22  ? 4.510   0.480   -9.212  0.70 10.20  ? 38  ILE A HD11 1 
ATOM   357  H HD12 . ILE A 1 22  ? 5.873   -0.258  -8.862  0.60 10.20  ? 38  ILE A HD12 1 
ATOM   358  H HD13 . ILE A 1 22  ? 4.633   -0.369  -7.874  0.70 10.20  ? 38  ILE A HD13 1 
ATOM   359  N N    . GLU A 1 23  ? 1.951   -2.173  -12.673 0.91 7.60   ? 39  GLU A N    1 
ATOM   360  C CA   . GLU A 1 23  ? 2.031   -2.261  -14.120 0.90 7.63   ? 39  GLU A CA   1 
ATOM   361  C C    . GLU A 1 23  ? 2.020   -0.920  -14.807 0.85 7.32   ? 39  GLU A C    1 
ATOM   362  O O    . GLU A 1 23  ? 1.290   0.016   -14.433 0.91 7.99   ? 39  GLU A O    1 
ATOM   363  C CB   . GLU A 1 23  ? 0.820   -3.060  -14.664 0.98 8.74   ? 39  GLU A CB   1 
ATOM   364  C CG   . GLU A 1 23  ? 0.760   -4.477  -14.199 0.90 9.30   ? 39  GLU A CG   1 
ATOM   365  C CD   . GLU A 1 23  ? -0.475  -5.227  -14.680 0.91 10.23  ? 39  GLU A CD   1 
ATOM   366  O OE1  . GLU A 1 23  ? -0.356  -6.390  -15.131 0.72 11.32  ? 39  GLU A OE1  1 
ATOM   367  O OE2  . GLU A 1 23  ? -1.597  -4.631  -14.661 0.81 10.62  ? 39  GLU A OE2  1 
ATOM   368  H H    . GLU A 1 23  ? 1.307   -1.681  -12.387 0.93 9.12   ? 39  GLU A H    1 
ATOM   369  H HA   . GLU A 1 23  ? 2.844   -2.727  -14.370 0.81 9.15   ? 39  GLU A HA   1 
ATOM   370  H HB2  . GLU A 1 23  ? 0.004   -2.621  -14.377 0.97 10.49  ? 39  GLU A HB2  1 
ATOM   371  H HB3  . GLU A 1 23  ? 0.864   -3.069  -15.633 0.90 10.49  ? 39  GLU A HB3  1 
ATOM   372  H HG2  . GLU A 1 23  ? 1.541   -4.948  -14.530 0.84 11.16  ? 39  GLU A HG2  1 
ATOM   373  H HG3  . GLU A 1 23  ? 0.755   -4.489  -13.229 0.90 11.16  ? 39  GLU A HG3  1 
ATOM   374  N N    . CYS A 1 24  ? 2.785   -0.824  -15.881 1.00 6.68   ? 40  CYS A N    1 
ATOM   375  C CA   . CYS A 1 24  ? 2.741   0.251   -16.875 1.00 5.95   ? 40  CYS A CA   1 
ATOM   376  C C    . CYS A 1 24  ? 2.630   -0.376  -18.252 1.00 6.71   ? 40  CYS A C    1 
ATOM   377  O O    . CYS A 1 24  ? 3.349   -1.304  -18.562 1.00 8.41   ? 40  CYS A O    1 
ATOM   378  C CB   . CYS A 1 24  ? 3.954   1.141   -16.820 1.00 5.86   ? 40  CYS A CB   1 
ATOM   379  S SG   . CYS A 1 24  ? 3.944   2.165   -15.311 1.00 5.61   ? 40  CYS A SG   1 
ATOM   380  H H    . CYS A 1 24  ? 3.382   -1.412  -16.072 1.00 8.01   ? 40  CYS A H    1 
ATOM   381  H HA   . CYS A 1 24  ? 1.954   0.797   -16.723 1.00 7.14   ? 40  CYS A HA   1 
ATOM   382  H HB2  . CYS A 1 24  ? 4.755   0.593   -16.812 1.00 7.04   ? 40  CYS A HB2  1 
ATOM   383  H HB3  . CYS A 1 24  ? 3.956   1.731   -17.590 1.00 7.04   ? 40  CYS A HB3  1 
ATOM   384  N N    . LYS A 1 25  ? 1.753   0.119   -19.082 1.00 10.09  ? 41  LYS A N    1 
ATOM   385  C CA   . LYS A 1 25  ? 1.519   -0.411  -20.392 1.00 10.26  ? 41  LYS A CA   1 
ATOM   386  C C    . LYS A 1 25  ? 2.097   0.522   -21.443 1.00 9.91   ? 41  LYS A C    1 
ATOM   387  O O    . LYS A 1 25  ? 2.118   1.744   -21.267 1.00 11.55  ? 41  LYS A O    1 
ATOM   388  C CB   . LYS A 1 25  ? 0.013   -0.649  -20.657 1.00 12.45  ? 41  LYS A CB   1 
ATOM   389  C CG   . LYS A 1 25  ? -0.845  -1.373  -19.617 1.00 16.16  ? 41  LYS A CG   1 
ATOM   390  C CD   . LYS A 1 25  ? -0.362  -2.690  -19.256 1.00 16.80  ? 41  LYS A CD   1 
ATOM   391  C CE   . LYS A 1 25  ? -1.243  -3.417  -18.199 1.00 17.54  ? 41  LYS A CE   1 
ATOM   392  N NZ   . LYS A 1 25  ? -2.645  -3.816  -18.634 1.00 18.99  ? 41  LYS A NZ   1 
ATOM   393  H H    . LYS A 1 25  ? 1.228   0.772   -18.893 1.00 12.11  ? 41  LYS A H    1 
ATOM   394  H HA   . LYS A 1 25  ? 1.973   -1.265  -20.471 1.00 12.31  ? 41  LYS A HA   1 
ATOM   395  H HB2  . LYS A 1 25  ? -0.397  0.219   -20.795 1.00 14.94  ? 41  LYS A HB2  1 
ATOM   396  H HB3  . LYS A 1 25  ? -0.060  -1.161  -21.477 1.00 14.94  ? 41  LYS A HB3  1 
ATOM   397  H HG2  . LYS A 1 25  ? -0.871  -0.837  -18.809 1.00 19.40  ? 41  LYS A HG2  1 
ATOM   398  H HG3  . LYS A 1 25  ? -1.742  -1.475  -19.971 1.00 19.40  ? 41  LYS A HG3  1 
ATOM   399  H HD2  . LYS A 1 25  ? -0.339  -3.243  -20.052 1.00 20.16  ? 41  LYS A HD2  1 
ATOM   400  H HD3  . LYS A 1 25  ? 0.532   -2.605  -18.888 1.00 20.16  ? 41  LYS A HD3  1 
ATOM   401  H HE2  . LYS A 1 25  ? -0.784  -4.228  -17.930 1.00 21.05  ? 41  LYS A HE2  1 
ATOM   402  H HE3  . LYS A 1 25  ? -1.336  -2.833  -17.430 1.00 21.05  ? 41  LYS A HE3  1 
ATOM   403  H HZ1  . LYS A 1 25  ? -3.107  -3.093  -18.870 1.00 22.79  ? 41  LYS A HZ1  1 
ATOM   404  H HZ2  . LYS A 1 25  ? -3.066  -4.223  -17.965 1.00 22.79  ? 41  LYS A HZ2  1 
ATOM   405  H HZ3  . LYS A 1 25  ? -2.601  -4.370  -19.329 1.00 22.79  ? 41  LYS A HZ3  1 
ATOM   406  N N    . PHE A 1 26  ? 2.527   -0.045  -22.553 1.00 10.11  ? 42  PHE A N    1 
ATOM   407  C CA   . PHE A 1 26  ? 3.106   0.717   -23.646 1.00 10.48  ? 42  PHE A CA   1 
ATOM   408  C C    . PHE A 1 26  ? 2.688   0.082   -24.955 1.00 10.09  ? 42  PHE A C    1 
ATOM   409  O O    . PHE A 1 26  ? 2.329   -1.104  -25.002 0.95 10.98  ? 42  PHE A O    1 
ATOM   410  C CB   . PHE A 1 26  ? 4.652   0.798   -23.516 0.99 10.91  ? 42  PHE A CB   1 
ATOM   411  C CG   . PHE A 1 26  ? 5.386   -0.520  -23.584 1.00 10.24  ? 42  PHE A CG   1 
ATOM   412  C CD1  . PHE A 1 26  ? 5.504   -1.347  -22.465 1.00 10.31  ? 42  PHE A CD1  1 
ATOM   413  C CD2  . PHE A 1 26  ? 5.987   -0.915  -24.768 0.94 10.74  ? 42  PHE A CD2  1 
ATOM   414  C CE1  . PHE A 1 26  ? 6.172   -2.527  -22.589 0.99 10.68  ? 42  PHE A CE1  1 
ATOM   415  C CE2  . PHE A 1 26  ? 6.674   -2.105  -24.858 0.85 10.49  ? 42  PHE A CE2  1 
ATOM   416  C CZ   . PHE A 1 26  ? 6.759   -2.915  -23.731 0.93 10.81  ? 42  PHE A CZ   1 
ATOM   417  H H    . PHE A 1 26  ? 2.495   -0.891  -22.703 1.00 12.13  ? 42  PHE A H    1 
ATOM   418  H HA   . PHE A 1 26  ? 2.755   1.621   -23.624 1.00 12.58  ? 42  PHE A HA   1 
ATOM   419  H HB2  . PHE A 1 26  ? 4.991   1.355   -24.234 1.00 13.09  ? 42  PHE A HB2  1 
ATOM   420  H HB3  . PHE A 1 26  ? 4.866   1.205   -22.662 0.96 13.09  ? 42  PHE A HB3  1 
ATOM   421  H HD1  . PHE A 1 26  ? 5.107   -1.110  -21.657 1.00 12.37  ? 42  PHE A HD1  1 
ATOM   422  H HD2  . PHE A 1 26  ? 5.924   -0.367  -25.517 0.90 12.89  ? 42  PHE A HD2  1 
ATOM   423  H HE1  . PHE A 1 26  ? 6.246   -3.077  -21.842 0.98 12.82  ? 42  PHE A HE1  1 
ATOM   424  H HE2  . PHE A 1 26  ? 7.068   -2.365  -25.659 0.84 12.59  ? 42  PHE A HE2  1 
ATOM   425  H HZ   . PHE A 1 26  ? 7.213   -3.725  -23.771 0.94 12.97  ? 42  PHE A HZ   1 
ATOM   426  N N    . PRO A 1 27  ? 2.707   0.833   -26.052 0.96 10.09  ? 43  PRO A N    1 
ATOM   427  C CA   . PRO A 1 27  ? 2.148   0.321   -27.300 1.00 10.98  ? 43  PRO A CA   1 
ATOM   428  C C    . PRO A 1 27  ? 3.133   -0.610  -27.987 1.00 11.10  ? 43  PRO A C    1 
ATOM   429  O O    . PRO A 1 27  ? 4.278   -0.241  -28.246 0.88 11.61  ? 43  PRO A O    1 
ATOM   430  C CB   . PRO A 1 27  ? 1.887   1.598   -28.103 0.89 11.83  ? 43  PRO A CB   1 
ATOM   431  C CG   . PRO A 1 27  ? 2.884   2.558   -27.606 0.89 12.72  ? 43  PRO A CG   1 
ATOM   432  C CD   . PRO A 1 27  ? 2.939   2.294   -26.128 0.97 11.68  ? 43  PRO A CD   1 
ATOM   433  H HA   . PRO A 1 27  ? 1.311   -0.143  -27.138 1.00 13.18  ? 43  PRO A HA   1 
ATOM   434  H HB2  . PRO A 1 27  ? 2.018   1.424   -29.049 0.94 14.19  ? 43  PRO A HB2  1 
ATOM   435  H HB3  . PRO A 1 27  ? 0.987   1.916   -27.932 0.94 14.19  ? 43  PRO A HB3  1 
ATOM   436  H HG2  . PRO A 1 27  ? 3.744   2.386   -28.021 0.86 15.26  ? 43  PRO A HG2  1 
ATOM   437  H HG3  . PRO A 1 27  ? 2.588   3.464   -27.785 0.88 15.26  ? 43  PRO A HG3  1 
ATOM   438  H HD2  . PRO A 1 27  ? 3.814   2.518   -25.774 0.94 14.01  ? 43  PRO A HD2  1 
ATOM   439  H HD3  . PRO A 1 27  ? 2.233   2.775   -25.669 1.00 14.01  ? 43  PRO A HD3  1 
ATOM   440  N N    . VAL A 1 28  ? 2.629   -1.764  -28.391 1.00 12.31  ? 44  VAL A N    1 
ATOM   441  C CA   . VAL A 1 28  ? 3.372   -2.758  -29.175 1.00 13.67  ? 44  VAL A CA   1 
ATOM   442  C C    . VAL A 1 28  ? 2.440   -3.186  -30.305 1.00 16.06  ? 44  VAL A C    1 
ATOM   443  O O    . VAL A 1 28  ? 1.329   -3.645  -30.077 0.82 15.46  ? 44  VAL A O    1 
ATOM   444  C CB   . VAL A 1 28  ? 3.803   -3.948  -28.308 1.00 15.67  ? 44  VAL A CB   1 
ATOM   445  C CG1  . VAL A 1 28  ? 4.509   -5.005  -29.188 0.63 17.63  ? 44  VAL A CG1  1 
ATOM   446  C CG2  . VAL A 1 28  ? 4.706   -3.513  -27.180 1.00 15.82  ? 44  VAL A CG2  1 
ATOM   447  H H    . VAL A 1 28  ? 1.823   -2.011  -28.217 1.00 14.77  ? 44  VAL A H    1 
ATOM   448  H HA   . VAL A 1 28  ? 4.162   -2.348  -29.560 1.00 16.40  ? 44  VAL A HA   1 
ATOM   449  H HB   . VAL A 1 28  ? 3.015   -4.358  -27.920 1.00 18.80  ? 44  VAL A HB   1 
ATOM   450  H HG11 . VAL A 1 28  ? 3.892   -5.308  -29.873 0.70 21.16  ? 44  VAL A HG11 1 
ATOM   451  H HG12 . VAL A 1 28  ? 4.777   -5.752  -28.630 0.72 21.16  ? 44  VAL A HG12 1 
ATOM   452  H HG13 . VAL A 1 28  ? 5.289   -4.603  -29.601 0.72 21.16  ? 44  VAL A HG13 1 
ATOM   453  H HG21 . VAL A 1 28  ? 5.499   -3.097  -27.554 1.00 18.99  ? 44  VAL A HG21 1 
ATOM   454  H HG22 . VAL A 1 28  ? 4.956   -4.292  -26.658 1.00 18.99  ? 44  VAL A HG22 1 
ATOM   455  H HG23 . VAL A 1 28  ? 4.231   -2.878  -26.622 1.00 18.99  ? 44  VAL A HG23 1 
ATOM   456  N N    . GLU A 1 29  ? 2.868   -2.992  -31.538 0.95 20.29  ? 45  GLU A N    1 
ATOM   457  C CA   . GLU A 1 29  ? 1.862   -3.156  -32.601 0.62 26.11  ? 45  GLU A CA   1 
ATOM   458  C C    . GLU A 1 29  ? 1.659   -4.612  -32.987 0.50 28.70  ? 45  GLU A C    1 
ATOM   459  O O    . GLU A 1 29  ? 0.518   -5.085  -33.105 0.45 29.30  ? 45  GLU A O    1 
ATOM   460  C CB   . GLU A 1 29  ? 2.176   -2.279  -33.810 1.00 30.23  ? 45  GLU A CB   1 
ATOM   461  C CG   . GLU A 1 29  ? 2.276   -0.816  -33.470 0.68 34.22  ? 45  GLU A CG   1 
ATOM   462  C CD   . GLU A 1 29  ? 0.961   -0.208  -33.046 0.76 36.78  ? 45  GLU A CD   1 
ATOM   463  O OE1  . GLU A 1 29  ? 0.840   1.032   -33.170 0.42 37.81  ? 45  GLU A OE1  1 
ATOM   464  H H    . GLU A 1 29  ? 3.664   -2.782  -31.785 0.92 24.34  ? 45  GLU A H    1 
ATOM   465  H HA   . GLU A 1 29  ? 1.014   -2.845  -32.248 0.72 31.33  ? 45  GLU A HA   1 
ATOM   466  H HB2  . GLU A 1 29  ? 3.025   -2.557  -34.188 0.92 36.27  ? 45  GLU A HB2  1 
ATOM   467  H HB3  . GLU A 1 29  ? 1.470   -2.386  -34.467 0.95 36.27  ? 45  GLU A HB3  1 
ATOM   468  H HG2  . GLU A 1 29  ? 2.904   -0.706  -32.739 0.74 41.07  ? 45  GLU A HG2  1 
ATOM   469  H HG3  . GLU A 1 29  ? 2.590   -0.333  -34.250 0.77 41.07  ? 45  GLU A HG3  1 
ATOM   470  N N    . LYS A 1 30  ? 2.744   -5.318  -33.205 0.82 29.71  ? 46  LYS A N    1 
ATOM   471  C CA   . LYS A 1 30  ? 2.723   -6.746  -33.506 0.94 29.83  ? 46  LYS A CA   1 
ATOM   472  C C    . LYS A 1 30  ? 3.763   -7.419  -32.621 1.00 28.68  ? 46  LYS A C    1 
ATOM   473  O O    . LYS A 1 30  ? 3.551   -7.406  -31.404 0.68 29.24  ? 46  LYS A O    1 
ATOM   474  C CB   . LYS A 1 30  ? 2.956   -7.000  -34.984 1.00 32.97  ? 46  LYS A CB   1 
ATOM   475  C CG   . LYS A 1 30  ? 1.789   -6.580  -35.836 1.00 34.46  ? 46  LYS A CG   1 
ATOM   476  C CE   . LYS A 1 30  ? 0.406   -6.225  -38.429 1.00 39.62  ? 46  LYS A CE   1 
ATOM   477  H H    . LYS A 1 30  ? 3.538   -4.988  -33.184 0.91 35.65  ? 46  LYS A H    1 
ATOM   478  H HA   . LYS A 1 30  ? 1.852   -7.106  -33.274 0.84 35.80  ? 46  LYS A HA   1 
ATOM   479  H HB2  . LYS A 1 30  ? 3.734   -6.497  -35.272 1.00 39.57  ? 46  LYS A HB2  1 
ATOM   480  H HB3  . LYS A 1 30  ? 3.103   -7.948  -35.122 1.00 39.57  ? 46  LYS A HB3  1 
ATOM   481  H HG2  . LYS A 1 30  ? 1.009   -7.097  -35.580 1.00 41.35  ? 46  LYS A HG2  1 
ATOM   482  H HG3  . LYS A 1 30  ? 1.620   -5.635  -35.697 0.00 41.35  ? 46  LYS A HG3  1 
ATOM   483  N N    . GLN A 1 31  ? 4.891   -7.929  -33.137 0.88 25.83  ? 47  GLN A N    1 
ATOM   484  C CA   . GLN A 1 31  ? 5.926   -8.557  -32.302 1.00 24.32  ? 47  GLN A CA   1 
ATOM   485  C C    . GLN A 1 31  ? 6.772   -7.465  -31.644 1.00 21.01  ? 47  GLN A C    1 
ATOM   486  O O    . GLN A 1 31  ? 7.041   -6.425  -32.233 0.88 20.42  ? 47  GLN A O    1 
ATOM   487  C CB   . GLN A 1 31  ? 6.847   -9.446  -33.147 1.00 28.08  ? 47  GLN A CB   1 
ATOM   488  C CG   . GLN A 1 31  ? 6.145   -10.554 -33.892 0.53 30.42  ? 47  GLN A CG   1 
ATOM   489  C CD   . GLN A 1 31  ? 5.565   -11.643 -32.982 0.85 32.59  ? 47  GLN A CD   1 
ATOM   490  O OE1  . GLN A 1 31  ? 6.019   -11.870 -31.874 0.61 33.53  ? 47  GLN A OE1  1 
ATOM   491  N NE2  . GLN A 1 31  ? 4.560   -12.323 -33.481 0.47 32.77  ? 47  GLN A NE2  1 
ATOM   492  H H    . GLN A 1 31  ? 5.081   -7.923  -33.975 0.86 31.00  ? 47  GLN A H    1 
ATOM   493  H HA   . GLN A 1 31  ? 5.512   -9.096  -31.610 1.00 29.18  ? 47  GLN A HA   1 
ATOM   494  H HB2  . GLN A 1 31  ? 7.297   -8.890  -33.802 1.00 33.70  ? 47  GLN A HB2  1 
ATOM   495  H HB3  . GLN A 1 31  ? 7.503   -9.856  -32.561 1.00 33.70  ? 47  GLN A HB3  1 
ATOM   496  H HG2  . GLN A 1 31  ? 5.413   -10.172 -34.401 0.56 36.50  ? 47  GLN A HG2  1 
ATOM   497  H HG3  . GLN A 1 31  ? 6.778   -10.976 -34.493 0.59 36.50  ? 47  GLN A HG3  1 
ATOM   498  H HE21 . GLN A 1 31  ? 4.192   -12.948 -33.018 0.00 39.33  ? 47  GLN A HE21 1 
ATOM   499  H HE22 . GLN A 1 31  ? 4.269   -12.145 -34.270 0.00 39.33  ? 47  GLN A HE22 1 
ATOM   500  N N    . LEU A 1 32  ? 7.226   -7.715  -30.440 0.89 18.53  ? 48  LEU A N    1 
ATOM   501  C CA   . LEU A 1 32  ? 8.084   -6.802  -29.675 1.00 14.95  ? 48  LEU A CA   1 
ATOM   502  C C    . LEU A 1 32  ? 9.502   -6.756  -30.249 1.00 16.54  ? 48  LEU A C    1 
ATOM   503  O O    . LEU A 1 32  ? 10.108  -7.813  -30.515 0.93 19.01  ? 48  LEU A O    1 
ATOM   504  C CB   . LEU A 1 32  ? 8.146   -7.309  -28.243 1.00 13.72  ? 48  LEU A CB   1 
ATOM   505  C CG   . LEU A 1 32  ? 8.996   -6.475  -27.306 1.00 12.41  ? 48  LEU A CG   1 
ATOM   506  C CD1  . LEU A 1 32  ? 8.375   -5.119  -26.992 0.89 11.91  ? 48  LEU A CD1  1 
ATOM   507  C CD2  . LEU A 1 32  ? 9.244   -7.220  -25.976 0.81 12.21  ? 48  LEU A CD2  1 
ATOM   508  H H    . LEU A 1 32  ? 7.049   -8.440  -30.013 0.83 22.24  ? 48  LEU A H    1 
ATOM   509  H HA   . LEU A 1 32  ? 7.709   -5.908  -29.680 1.00 17.94  ? 48  LEU A HA   1 
ATOM   510  H HB2  . LEU A 1 32  ? 7.246   -7.328  -27.883 1.00 16.46  ? 48  LEU A HB2  1 
ATOM   511  H HB3  . LEU A 1 32  ? 8.513   -8.207  -28.249 1.00 16.46  ? 48  LEU A HB3  1 
ATOM   512  H HG   . LEU A 1 32  ? 9.857   -6.317  -27.722 1.00 14.90  ? 48  LEU A HG   1 
ATOM   513  H HD11 . LEU A 1 32  ? 8.265   -4.624  -27.818 0.84 14.30  ? 48  LEU A HD11 1 
ATOM   514  H HD12 . LEU A 1 32  ? 8.962   -4.635  -26.390 0.86 14.30  ? 48  LEU A HD12 1 
ATOM   515  H HD13 . LEU A 1 32  ? 7.511   -5.258  -26.571 0.84 14.30  ? 48  LEU A HD13 1 
ATOM   516  H HD21 . LEU A 1 32  ? 8.391   -7.401  -25.552 0.78 14.65  ? 48  LEU A HD21 1 
ATOM   517  H HD22 . LEU A 1 32  ? 9.789   -6.662  -25.399 0.79 14.65  ? 48  LEU A HD22 1 
ATOM   518  H HD23 . LEU A 1 32  ? 9.705   -8.053  -26.163 0.81 14.65  ? 48  LEU A HD23 1 
ATOM   519  N N    . ASP A 1 33  ? 10.034  -5.554  -30.453 1.00 15.92  ? 49  ASP A N    1 
ATOM   520  C CA   . ASP A 1 33  ? 11.395  -5.322  -30.895 1.00 15.67  ? 49  ASP A CA   1 
ATOM   521  C C    . ASP A 1 33  ? 12.250  -5.170  -29.629 1.00 15.36  ? 49  ASP A C    1 
ATOM   522  O O    . ASP A 1 33  ? 12.359  -4.090  -29.036 1.00 13.55  ? 49  ASP A O    1 
ATOM   523  C CB   . ASP A 1 33  ? 11.413  -4.050  -31.728 0.91 15.08  ? 49  ASP A CB   1 
ATOM   524  C CG   . ASP A 1 33  ? 12.763  -3.673  -32.204 0.82 15.52  ? 49  ASP A CG   1 
ATOM   525  O OD1  . ASP A 1 33  ? 13.761  -4.273  -31.764 0.75 16.63  ? 49  ASP A OD1  1 
ATOM   526  O OD2  . ASP A 1 33  ? 12.871  -2.681  -32.956 0.89 15.37  ? 49  ASP A OD2  1 
ATOM   527  H H    . ASP A 1 33  ? 9.597   -4.823  -30.333 1.00 19.10  ? 49  ASP A H    1 
ATOM   528  H HA   . ASP A 1 33  ? 11.718  -6.068  -31.424 1.00 18.80  ? 49  ASP A HA   1 
ATOM   529  H HB2  . ASP A 1 33  ? 10.848  -4.177  -32.506 0.81 18.10  ? 49  ASP A HB2  1 
ATOM   530  H HB3  . ASP A 1 33  ? 11.072  -3.318  -31.189 0.80 18.10  ? 49  ASP A HB3  1 
ATOM   531  N N    . LEU A 1 34  ? 12.868  -6.277  -29.143 1.00 18.54  ? 50  LEU A N    1 
ATOM   532  C CA   . LEU A 1 34  ? 13.637  -6.197  -27.854 1.00 19.97  ? 50  LEU A CA   1 
ATOM   533  C C    . LEU A 1 34  ? 14.849  -5.330  -27.945 1.00 20.68  ? 50  LEU A C    1 
ATOM   534  O O    . LEU A 1 34  ? 15.200  -4.724  -26.932 1.00 25.00  ? 50  LEU A O    1 
ATOM   535  C CB   . LEU A 1 34  ? 14.225  -7.510  -27.360 1.00 20.22  ? 50  LEU A CB   1 
ATOM   536  C CG   . LEU A 1 34  ? 13.417  -8.249  -26.462 1.00 16.32  ? 50  LEU A CG   1 
ATOM   537  C CD1  . LEU A 1 34  ? 14.010  -9.608  -26.143 1.00 15.97  ? 50  LEU A CD1  1 
ATOM   538  C CD2  . LEU A 1 34  ? 12.849  -7.606  -25.259 1.00 11.59  ? 50  LEU A CD2  1 
ATOM   539  H H    . LEU A 1 34  ? 12.862  -7.052  -29.516 1.00 22.24  ? 50  LEU A H    1 
ATOM   540  H HA   . LEU A 1 34  ? 13.060  -5.842  -27.160 1.00 23.97  ? 50  LEU A HA   1 
ATOM   541  H HB2  . LEU A 1 34  ? 14.396  -8.077  -28.129 1.00 24.26  ? 50  LEU A HB2  1 
ATOM   542  H HB3  . LEU A 1 34  ? 15.061  -7.319  -26.908 1.00 24.26  ? 50  LEU A HB3  1 
ATOM   543  H HG   . LEU A 1 34  ? 12.628  -8.465  -26.984 1.00 19.58  ? 50  LEU A HG   1 
ATOM   544  H HD11 . LEU A 1 34  ? 14.094  -10.116 -26.965 1.00 19.17  ? 50  LEU A HD11 1 
ATOM   545  H HD12 . LEU A 1 34  ? 13.422  -10.072 -25.526 1.00 19.17  ? 50  LEU A HD12 1 
ATOM   546  H HD13 . LEU A 1 34  ? 14.883  -9.485  -25.739 1.00 19.17  ? 50  LEU A HD13 1 
ATOM   547  H HD21 . LEU A 1 34  ? 13.575  -7.276  -24.706 1.00 13.91  ? 50  LEU A HD21 1 
ATOM   548  H HD22 . LEU A 1 34  ? 12.330  -8.261  -24.767 1.00 13.91  ? 50  LEU A HD22 1 
ATOM   549  H HD23 . LEU A 1 34  ? 12.281  -6.870  -25.533 1.00 13.91  ? 50  LEU A HD23 1 
ATOM   550  N N    . ALA A 1 35  ? 15.455  -5.154  -29.110 1.00 19.72  ? 51  ALA A N    1 
ATOM   551  C CA   . ALA A 1 35  ? 16.566  -4.240  -29.238 1.00 21.08  ? 51  ALA A CA   1 
ATOM   552  C C    . ALA A 1 35  ? 16.173  -2.869  -28.846 1.00 16.99  ? 51  ALA A C    1 
ATOM   553  O O    . ALA A 1 35  ? 16.995  -2.188  -28.253 1.00 17.59  ? 51  ALA A O    1 
ATOM   554  C CB   . ALA A 1 35  ? 17.180  -4.249  -30.670 1.00 22.86  ? 51  ALA A CB   1 
ATOM   555  H H    . ALA A 1 35  ? 15.239  -5.555  -29.840 1.00 23.67  ? 51  ALA A H    1 
ATOM   556  H HA   . ALA A 1 35  ? 17.262  -4.524  -28.626 1.00 25.30  ? 51  ALA A HA   1 
ATOM   557  H HB1  . ALA A 1 35  ? 17.498  -5.143  -30.872 1.00 27.43  ? 51  ALA A HB1  1 
ATOM   558  H HB2  . ALA A 1 35  ? 17.918  -3.620  -30.701 1.00 27.43  ? 51  ALA A HB2  1 
ATOM   559  H HB3  . ALA A 1 35  ? 16.497  -3.989  -31.308 1.00 27.43  ? 51  ALA A HB3  1 
ATOM   560  N N    . ALA A 1 36  ? 14.960  -2.458  -29.153 1.00 12.15  ? 52  ALA A N    1 
ATOM   561  C CA   . ALA A 1 36  ? 14.521  -1.090  -28.960 1.00 10.37  ? 52  ALA A CA   1 
ATOM   562  C C    . ALA A 1 36  ? 14.081  -0.804  -27.514 0.95 8.61   ? 52  ALA A C    1 
ATOM   563  O O    . ALA A 1 36  ? 13.983  0.357   -27.133 0.95 12.21  ? 52  ALA A O    1 
ATOM   564  C CB   . ALA A 1 36  ? 13.391  -0.762  -29.889 0.97 10.46  ? 52  ALA A CB   1 
ATOM   565  H H    . ALA A 1 36  ? 14.352  -2.969  -29.485 0.99 14.58  ? 52  ALA A H    1 
ATOM   566  H HA   . ALA A 1 36  ? 15.258  -0.494  -29.168 1.00 12.44  ? 52  ALA A HA   1 
ATOM   567  H HB1  . ALA A 1 36  ? 13.693  -0.873  -30.804 0.85 12.56  ? 52  ALA A HB1  1 
ATOM   568  H HB2  . ALA A 1 36  ? 13.117  0.157   -29.741 0.97 12.56  ? 52  ALA A HB2  1 
ATOM   569  H HB3  . ALA A 1 36  ? 12.651  -1.362  -29.709 0.99 12.56  ? 52  ALA A HB3  1 
ATOM   570  N N    . LEU A 1 37  ? 13.718  -1.791  -26.744 1.00 7.85   ? 53  LEU A N    1 
ATOM   571  C CA   . LEU A 1 37  ? 13.007  -1.572  -25.484 1.00 7.45   ? 53  LEU A CA   1 
ATOM   572  C C    . LEU A 1 37  ? 13.970  -1.281  -24.332 1.00 7.26   ? 53  LEU A C    1 
ATOM   573  O O    . LEU A 1 37  ? 14.917  -2.051  -24.083 1.00 8.01   ? 53  LEU A O    1 
ATOM   574  C CB   . LEU A 1 37  ? 12.166  -2.816  -25.155 1.00 7.83   ? 53  LEU A CB   1 
ATOM   575  C CG   . LEU A 1 37  ? 11.373  -2.722  -23.854 1.00 8.08   ? 53  LEU A CG   1 
ATOM   576  C CD1  . LEU A 1 37  ? 10.327  -1.614  -23.896 1.00 8.27   ? 53  LEU A CD1  1 
ATOM   577  C CD2  . LEU A 1 37  ? 10.709  -4.031  -23.569 1.00 9.73   ? 53  LEU A CD2  1 
ATOM   578  H H    . LEU A 1 37  ? 13.868  -2.620  -26.918 1.00 9.42   ? 53  LEU A H    1 
ATOM   579  H HA   . LEU A 1 37  ? 12.408  -0.815  -25.581 1.00 8.94   ? 53  LEU A HA   1 
ATOM   580  H HB2  . LEU A 1 37  ? 11.533  -2.962  -25.875 1.00 9.39   ? 53  LEU A HB2  1 
ATOM   581  H HB3  . LEU A 1 37  ? 12.759  -3.580  -25.082 1.00 9.39   ? 53  LEU A HB3  1 
ATOM   582  H HG   . LEU A 1 37  ? 11.983  -2.530  -23.125 1.00 9.70   ? 53  LEU A HG   1 
ATOM   583  H HD11 . LEU A 1 37  ? 10.772  -0.765  -24.045 1.00 9.92   ? 53  LEU A HD11 1 
ATOM   584  H HD12 . LEU A 1 37  ? 9.853   -1.596  -23.050 1.00 9.92   ? 53  LEU A HD12 1 
ATOM   585  H HD13 . LEU A 1 37  ? 9.706   -1.794  -24.620 1.00 9.92   ? 53  LEU A HD13 1 
ATOM   586  H HD21 . LEU A 1 37  ? 10.109  -4.246  -24.300 1.00 11.67  ? 53  LEU A HD21 1 
ATOM   587  H HD22 . LEU A 1 37  ? 10.210  -3.958  -22.741 1.00 11.67  ? 53  LEU A HD22 1 
ATOM   588  H HD23 . LEU A 1 37  ? 11.390  -4.718  -23.486 1.00 11.67  ? 53  LEU A HD23 1 
ATOM   589  N N    . ILE A 1 38  ? 13.688  -0.209  -23.607 0.92 6.35   ? 54  ILE A N    1 
ATOM   590  C CA   . ILE A 1 38  ? 14.390  0.108   -22.364 1.00 7.09   ? 54  ILE A CA   1 
ATOM   591  C C    . ILE A 1 38  ? 13.316  0.357   -21.300 0.96 6.62   ? 54  ILE A C    1 
ATOM   592  O O    . ILE A 1 38  ? 12.389  1.131   -21.545 0.98 7.38   ? 54  ILE A O    1 
ATOM   593  C CB   . ILE A 1 38  ? 15.281  1.353   -22.499 1.00 7.70   ? 54  ILE A CB   1 
ATOM   594  C CG1  . ILE A 1 38  ? 16.160  1.290   -23.740 1.00 10.07  ? 54  ILE A CG1  1 
ATOM   595  C CG2  . ILE A 1 38  ? 16.078  1.532   -21.219 0.93 8.19   ? 54  ILE A CG2  1 
ATOM   596  C CD1  . ILE A 1 38  ? 16.916  2.606   -24.009 0.83 10.37  ? 54  ILE A CD1  1 
ATOM   597  H H    . ILE A 1 38  ? 13.082  0.364   -23.815 0.93 7.62   ? 54  ILE A H    1 
ATOM   598  H HA   . ILE A 1 38  ? 14.938  -0.644  -22.091 1.00 8.51   ? 54  ILE A HA   1 
ATOM   599  H HB   . ILE A 1 38  ? 14.698  2.123   -22.592 1.00 9.23   ? 54  ILE A HB   1 
ATOM   600  H HG12 . ILE A 1 38  ? 16.817  0.585   -23.626 1.00 12.09  ? 54  ILE A HG12 1 
ATOM   601  H HG13 . ILE A 1 38  ? 15.603  1.102   -24.512 1.00 12.09  ? 54  ILE A HG13 1 
ATOM   602  H HG21 . ILE A 1 38  ? 15.463  1.644   -20.478 0.95 9.83   ? 54  ILE A HG21 1 
ATOM   603  H HG22 . ILE A 1 38  ? 16.640  2.318   -21.305 0.89 9.83   ? 54  ILE A HG22 1 
ATOM   604  H HG23 . ILE A 1 38  ? 16.627  0.745   -21.078 0.87 9.83   ? 54  ILE A HG23 1 
ATOM   605  H HD11 . ILE A 1 38  ? 16.272  3.320   -24.134 0.82 12.45  ? 54  ILE A HD11 1 
ATOM   606  H HD12 . ILE A 1 38  ? 17.456  2.502   -24.808 0.95 12.45  ? 54  ILE A HD12 1 
ATOM   607  H HD13 . ILE A 1 38  ? 17.485  2.803   -23.248 0.88 12.45  ? 54  ILE A HD13 1 
ATOM   608  N N    . VAL A 1 39  ? 13.429  -0.310  -20.150 0.99 6.85   ? 55  VAL A N    1 
ATOM   609  C CA   . VAL A 1 39  ? 12.500  -0.124  -19.042 0.88 6.32   ? 55  VAL A CA   1 
ATOM   610  C C    . VAL A 1 39  ? 13.292  0.174   -17.784 0.95 7.09   ? 55  VAL A C    1 
ATOM   611  O O    . VAL A 1 39  ? 14.265  -0.513  -17.493 0.97 8.21   ? 55  VAL A O    1 
ATOM   612  C CB   . VAL A 1 39  ? 11.599  -1.361  -18.808 0.90 7.12   ? 55  VAL A CB   1 
ATOM   613  C CG1  . VAL A 1 39  ? 10.670  -1.174  -17.612 0.75 6.88   ? 55  VAL A CG1  1 
ATOM   614  C CG2  . VAL A 1 39  ? 10.808  -1.722  -20.066 0.85 7.90   ? 55  VAL A CG2  1 
ATOM   615  H H    . VAL A 1 39  ? 14.047  -0.885  -19.988 1.00 8.23   ? 55  VAL A H    1 
ATOM   616  H HA   . VAL A 1 39  ? 11.928  0.637   -19.228 0.96 7.59   ? 55  VAL A HA   1 
ATOM   617  H HB   . VAL A 1 39  ? 12.173  -2.117  -18.607 1.00 8.54   ? 55  VAL A HB   1 
ATOM   618  H HG11 . VAL A 1 39  ? 11.206  -1.030  -16.817 0.82 8.26   ? 55  VAL A HG11 1 
ATOM   619  H HG12 . VAL A 1 39  ? 10.129  -1.972  -17.506 0.78 8.26   ? 55  VAL A HG12 1 
ATOM   620  H HG13 . VAL A 1 39  ? 10.101  -0.406  -17.773 0.71 8.26   ? 55  VAL A HG13 1 
ATOM   621  H HG21 . VAL A 1 39  ? 10.247  -0.970  -20.313 0.83 9.47   ? 55  VAL A HG21 1 
ATOM   622  H HG22 . VAL A 1 39  ? 10.257  -2.499  -19.881 0.76 9.47   ? 55  VAL A HG22 1 
ATOM   623  H HG23 . VAL A 1 39  ? 11.429  -1.920  -20.784 0.79 9.47   ? 55  VAL A HG23 1 
ATOM   624  N N    . TYR A 1 40  ? 12.876  1.191   -17.042 0.97 6.83   ? 56  TYR A N    1 
ATOM   625  C CA   . TYR A 1 40  ? 13.474  1.485   -15.746 0.92 6.69   ? 56  TYR A CA   1 
ATOM   626  C C    . TYR A 1 40  ? 12.366  1.771   -14.737 0.97 6.70   ? 56  TYR A C    1 
ATOM   627  O O    . TYR A 1 40  ? 11.528  2.641   -14.971 0.96 7.49   ? 56  TYR A O    1 
ATOM   628  C CB   . TYR A 1 40  ? 14.451  2.670   -15.851 0.98 7.49   ? 56  TYR A CB   1 
ATOM   629  C CG   . TYR A 1 40  ? 15.102  3.067   -14.562 0.98 7.37   ? 56  TYR A CG   1 
ATOM   630  C CD1  . TYR A 1 40  ? 15.585  2.127   -13.667 0.99 7.87   ? 56  TYR A CD1  1 
ATOM   631  C CD2  . TYR A 1 40  ? 15.250  4.405   -14.218 0.90 7.86   ? 56  TYR A CD2  1 
ATOM   632  C CE1  . TYR A 1 40  ? 16.182  2.498   -12.468 0.88 7.05   ? 56  TYR A CE1  1 
ATOM   633  C CE2  . TYR A 1 40  ? 15.846  4.800   -13.031 0.89 7.78   ? 56  TYR A CE2  1 
ATOM   634  C CZ   . TYR A 1 40  ? 16.303  3.853   -12.127 0.86 6.98   ? 56  TYR A CZ   1 
ATOM   635  O OH   . TYR A 1 40  ? 16.890  4.188   -10.948 1.00 8.93   ? 56  TYR A OH   1 
ATOM   636  H H    . TYR A 1 40  ? 12.245  1.730   -17.267 0.73 8.19   ? 56  TYR A H    1 
ATOM   637  H HA   . TYR A 1 40  ? 13.969  0.710   -15.440 0.92 8.03   ? 56  TYR A HA   1 
ATOM   638  H HB2  . TYR A 1 40  ? 15.156  2.435   -16.474 0.82 8.98   ? 56  TYR A HB2  1 
ATOM   639  H HB3  . TYR A 1 40  ? 13.967  3.442   -16.183 0.95 8.98   ? 56  TYR A HB3  1 
ATOM   640  H HD1  . TYR A 1 40  ? 15.498  1.224   -13.868 0.94 9.45   ? 56  TYR A HD1  1 
ATOM   641  H HD2  . TYR A 1 40  ? 14.935  5.057   -14.801 0.85 9.43   ? 56  TYR A HD2  1 
ATOM   642  H HE1  . TYR A 1 40  ? 16.486  1.844   -11.881 0.84 8.47   ? 56  TYR A HE1  1 
ATOM   643  H HE2  . TYR A 1 40  ? 15.917  5.705   -12.828 0.84 9.33   ? 56  TYR A HE2  1 
ATOM   644  H HH   . TYR A 1 40  ? 16.902  5.024   -10.861 0.00 10.72  ? 56  TYR A HH   1 
ATOM   645  N N    . TRP A 1 41  ? 12.396  1.057   -13.617 0.92 6.74   ? 57  TRP A N    1 
ATOM   646  C CA   . TRP A 1 41  ? 11.551  1.320   -12.467 0.92 7.46   ? 57  TRP A CA   1 
ATOM   647  C C    . TRP A 1 41  ? 12.388  1.859   -11.322 1.00 7.81   ? 57  TRP A C    1 
ATOM   648  O O    . TRP A 1 41  ? 13.410  1.262   -10.963 1.00 8.28   ? 57  TRP A O    1 
ATOM   649  C CB   . TRP A 1 41  ? 10.850  0.041   -11.991 0.96 8.15   ? 57  TRP A CB   1 
ATOM   650  C CG   . TRP A 1 41  ? 9.716   -0.445  -12.833 0.99 8.03   ? 57  TRP A CG   1 
ATOM   651  C CD1  . TRP A 1 41  ? 9.736   -1.368  -13.806 0.96 8.70   ? 57  TRP A CD1  1 
ATOM   652  C CD2  . TRP A 1 41  ? 8.320   -0.068  -12.659 0.99 7.81   ? 57  TRP A CD2  1 
ATOM   653  N NE1  . TRP A 1 41  ? 8.459   -1.581  -14.292 0.89 7.96   ? 57  TRP A NE1  1 
ATOM   654  C CE2  . TRP A 1 41  ? 7.571   -0.822  -13.591 0.93 7.63   ? 57  TRP A CE2  1 
ATOM   655  C CE3  . TRP A 1 41  ? 7.644   0.802   -11.802 0.95 7.70   ? 57  TRP A CE3  1 
ATOM   656  C CZ2  . TRP A 1 41  ? 6.183   -0.762  -13.614 0.88 7.74   ? 57  TRP A CZ2  1 
ATOM   657  C CZ3  . TRP A 1 41  ? 6.277   0.856   -11.858 0.94 8.26   ? 57  TRP A CZ3  1 
ATOM   658  C CH2  . TRP A 1 41  ? 5.560   0.068   -12.765 0.82 7.81   ? 57  TRP A CH2  1 
ATOM   659  H H    . TRP A 1 41  ? 12.922  0.387   -13.500 0.88 8.09   ? 57  TRP A H    1 
ATOM   660  H HA   . TRP A 1 41  ? 10.877  1.978   -12.698 0.87 8.95   ? 57  TRP A HA   1 
ATOM   661  H HB2  . TRP A 1 41  ? 11.508  -0.671  -11.957 0.95 9.78   ? 57  TRP A HB2  1 
ATOM   662  H HB3  . TRP A 1 41  ? 10.501  0.199   -11.100 0.92 9.78   ? 57  TRP A HB3  1 
ATOM   663  H HD1  . TRP A 1 41  ? 10.506  -1.766  -14.143 0.88 10.44  ? 57  TRP A HD1  1 
ATOM   664  H HE1  . TRP A 1 41  ? 8.251   -2.145  -14.907 0.93 9.56   ? 57  TRP A HE1  1 
ATOM   665  H HE3  . TRP A 1 41  ? 8.107   1.266   -11.142 0.89 9.24   ? 57  TRP A HE3  1 
ATOM   666  H HZ2  . TRP A 1 41  ? 5.701   -1.231  -14.257 0.92 9.28   ? 57  TRP A HZ2  1 
ATOM   667  H HZ3  . TRP A 1 41  ? 5.818   1.431   -11.289 0.89 9.92   ? 57  TRP A HZ3  1 
ATOM   668  H HH2  . TRP A 1 41  ? 4.639   0.183   -12.836 0.91 9.37   ? 57  TRP A HH2  1 
ATOM   669  N N    . GLU A 1 42  ? 11.927  2.958   -10.720 1.00 7.81   ? 58  GLU A N    1 
ATOM   670  C CA   . GLU A 1 42  ? 12.612  3.641   -9.636  1.00 8.31   ? 58  GLU A CA   1 
ATOM   671  C C    . GLU A 1 42  ? 11.617  4.033   -8.561  1.00 8.71   ? 58  GLU A C    1 
ATOM   672  O O    . GLU A 1 42  ? 10.472  4.356   -8.861  0.85 8.36   ? 58  GLU A O    1 
ATOM   673  C CB   . GLU A 1 42  ? 13.283  4.917   -10.177 1.00 8.56   ? 58  GLU A CB   1 
ATOM   674  C CG   . GLU A 1 42  ? 14.212  5.593   -9.176  0.90 8.94   ? 58  GLU A CG   1 
ATOM   675  C CD   . GLU A 1 42  ? 14.877  6.792   -9.797  0.86 8.75   ? 58  GLU A CD   1 
ATOM   676  O OE1  . GLU A 1 42  ? 16.087  6.669   -10.181 1.00 9.66   ? 58  GLU A OE1  1 
ATOM   677  O OE2  . GLU A 1 42  ? 14.223  7.848   -9.950  0.91 10.55  ? 58  GLU A OE2  1 
ATOM   678  H H    . GLU A 1 42  ? 11.187  3.337   -10.937 0.90 9.38   ? 58  GLU A H    1 
ATOM   679  H HA   . GLU A 1 42  ? 13.289  3.064   -9.250  1.00 9.97   ? 58  GLU A HA   1 
ATOM   680  H HB2  . GLU A 1 42  ? 13.806  4.688   -10.960 0.95 10.28  ? 58  GLU A HB2  1 
ATOM   681  H HB3  . GLU A 1 42  ? 12.593  5.555   -10.418 1.00 10.28  ? 58  GLU A HB3  1 
ATOM   682  H HG2  . GLU A 1 42  ? 13.700  5.889   -8.408  0.82 10.73  ? 58  GLU A HG2  1 
ATOM   683  H HG3  . GLU A 1 42  ? 14.902  4.967   -8.903  0.95 10.73  ? 58  GLU A HG3  1 
ATOM   684  N N    A MET A 1 43  ? 12.066  4.028   -7.305  0.90 8.79   ? 59  MET A N    1 
ATOM   685  N N    B MET A 1 43  ? 12.063  4.043   -7.320  0.10 11.93  ? 59  MET A N    1 
ATOM   686  C CA   A MET A 1 43  ? 11.325  4.690   -6.230  0.90 9.40   ? 59  MET A CA   1 
ATOM   687  C CA   B MET A 1 43  ? 11.360  4.811   -6.313  0.10 15.00  ? 59  MET A CA   1 
ATOM   688  C C    A MET A 1 43  ? 12.344  5.409   -5.374  0.90 9.59   ? 59  MET A C    1 
ATOM   689  C C    B MET A 1 43  ? 12.404  5.488   -5.453  0.10 13.51  ? 59  MET A C    1 
ATOM   690  O O    A MET A 1 43  ? 13.438  4.885   -5.181  0.90 9.79   ? 59  MET A O    1 
ATOM   691  O O    B MET A 1 43  ? 13.528  4.997   -5.315  0.10 13.77  ? 59  MET A O    1 
ATOM   692  C CB   A MET A 1 43  ? 10.349  3.777   -5.484  0.90 11.48  ? 59  MET A CB   1 
ATOM   693  C CB   B MET A 1 43  ? 10.382  3.966   -5.490  0.10 19.12  ? 59  MET A CB   1 
ATOM   694  C CG   A MET A 1 43  ? 10.957  2.806   -4.564  0.90 12.08  ? 59  MET A CG   1 
ATOM   695  C CG   B MET A 1 43  ? 10.855  3.579   -4.111  0.10 22.44  ? 59  MET A CG   1 
ATOM   696  S SD   A MET A 1 43  ? 11.238  3.447   -2.891  0.90 13.51  ? 59  MET A SD   1 
ATOM   697  S SD   B MET A 1 43  ? 9.834   4.314   -2.859  0.10 24.69  ? 59  MET A SD   1 
ATOM   698  C CE   A MET A 1 43  ? 9.547   3.416   -2.356  0.90 16.60  ? 59  MET A CE   1 
ATOM   699  C CE   B MET A 1 43  ? 9.696   2.924   -1.715  0.10 25.92  ? 59  MET A CE   1 
ATOM   700  H H    A MET A 1 43  ? 12.795  3.650   -7.049  0.90 10.54  ? 59  MET A H    1 
ATOM   701  H H    B MET A 1 43  ? 12.758  3.622   -7.038  0.10 14.32  ? 59  MET A H    1 
ATOM   702  H HA   A MET A 1 43  ? 10.776  5.374   -6.646  0.90 11.27  ? 59  MET A HA   1 
ATOM   703  H HA   B MET A 1 43  ? 10.841  5.497   -6.761  0.10 18.00  ? 59  MET A HA   1 
ATOM   704  H HB2  A MET A 1 43  ? 9.748   4.333   -4.963  0.90 13.78  ? 59  MET A HB2  1 
ATOM   705  H HB2  B MET A 1 43  ? 9.558   4.468   -5.384  0.10 22.95  ? 59  MET A HB2  1 
ATOM   706  H HB3  A MET A 1 43  ? 9.838   3.276   -6.139  0.90 13.78  ? 59  MET A HB3  1 
ATOM   707  H HB3  B MET A 1 43  ? 10.201  3.146   -5.976  0.10 22.95  ? 59  MET A HB3  1 
ATOM   708  H HG2  A MET A 1 43  ? 10.371  2.036   -4.491  0.90 14.49  ? 59  MET A HG2  1 
ATOM   709  H HG2  B MET A 1 43  ? 10.810  2.615   -4.015  0.10 26.92  ? 59  MET A HG2  1 
ATOM   710  H HG3  A MET A 1 43  ? 11.816  2.531   -4.924  0.90 14.49  ? 59  MET A HG3  1 
ATOM   711  H HG3  B MET A 1 43  ? 11.765  3.889   -3.985  0.10 26.92  ? 59  MET A HG3  1 
ATOM   712  H HE1  A MET A 1 43  ? 9.021   3.987   -2.937  0.90 19.92  ? 59  MET A HE1  1 
ATOM   713  H HE1  B MET A 1 43  ? 9.284   2.177   -2.176  0.10 31.10  ? 59  MET A HE1  1 
ATOM   714  H HE2  A MET A 1 43  ? 9.499   3.739   -1.442  0.90 19.92  ? 59  MET A HE2  1 
ATOM   715  H HE2  B MET A 1 43  ? 9.149   3.190   -0.960  0.10 31.10  ? 59  MET A HE2  1 
ATOM   716  H HE3  A MET A 1 43  ? 9.219   2.504   -2.402  0.90 19.92  ? 59  MET A HE3  1 
ATOM   717  H HE3  B MET A 1 43  ? 10.584  2.677   -1.411  0.10 31.10  ? 59  MET A HE3  1 
ATOM   718  N N    . GLU A 1 44  ? 12.018  6.607   -4.858  1.00 11.33  ? 60  GLU A N    1 
ATOM   719  C CA   . GLU A 1 44  ? 13.001  7.425   -4.185  0.85 11.53  ? 60  GLU A CA   1 
ATOM   720  C C    . GLU A 1 44  ? 14.207  7.545   -5.142  0.88 11.65  ? 60  GLU A C    1 
ATOM   721  O O    . GLU A 1 44  ? 14.013  7.844   -6.316  0.91 12.35  ? 60  GLU A O    1 
ATOM   722  C CB   . GLU A 1 44  ? 13.298  6.915   -2.757  0.80 11.78  ? 60  GLU A CB   1 
ATOM   723  C CG   . GLU A 1 44  ? 12.079  6.852   -1.840  0.82 12.24  ? 60  GLU A CG   1 
ATOM   724  C CD   . GLU A 1 44  ? 12.262  6.084   -0.536  0.90 14.12  ? 60  GLU A CD   1 
ATOM   725  O OE1  . GLU A 1 44  ? 13.390  5.584   -0.277  0.60 15.74  ? 60  GLU A OE1  1 
ATOM   726  O OE2  . GLU A 1 44  ? 11.324  5.978   0.215   0.58 14.32  ? 60  GLU A OE2  1 
ATOM   727  H H    . GLU A 1 44  ? 11.221  6.928   -4.864  1.00 13.59  ? 60  GLU A H    1 
ATOM   728  H HA   . GLU A 1 44  ? 12.631  8.317   -4.089  1.00 13.83  ? 60  GLU A HA   1 
ATOM   729  H HB2  . GLU A 1 44  ? 13.666  6.020   -2.818  0.80 14.14  ? 60  GLU A HB2  1 
ATOM   730  H HB3  . GLU A 1 44  ? 13.945  7.508   -2.344  0.81 14.14  ? 60  GLU A HB3  1 
ATOM   731  H HG2  . GLU A 1 44  ? 11.824  7.759   -1.608  0.87 14.69  ? 60  GLU A HG2  1 
ATOM   732  H HG3  . GLU A 1 44  ? 11.354  6.428   -2.326  0.83 14.69  ? 60  GLU A HG3  1 
ATOM   733  N N    . ASP A 1 45  ? 15.394  7.338   -4.665  0.89 11.22  ? 61  ASP A N    1 
ATOM   734  C CA   . ASP A 1 45  ? 16.595  7.343   -5.482  1.00 12.01  ? 61  ASP A CA   1 
ATOM   735  C C    . ASP A 1 45  ? 17.142  5.954   -5.719  1.00 10.83  ? 61  ASP A C    1 
ATOM   736  O O    . ASP A 1 45  ? 18.343  5.800   -5.992  1.00 12.26  ? 61  ASP A O    1 
ATOM   737  C CB   . ASP A 1 45  ? 17.673  8.230   -4.877  1.00 14.01  ? 61  ASP A CB   1 
ATOM   738  C CG   . ASP A 1 45  ? 18.162  7.753   -3.505  1.00 16.77  ? 61  ASP A CG   1 
ATOM   739  O OD1  . ASP A 1 45  ? 17.533  6.880   -2.934  1.00 16.84  ? 61  ASP A OD1  1 
ATOM   740  O OD2  . ASP A 1 45  ? 19.197  8.219   -2.981  1.00 22.14  ? 61  ASP A OD2  1 
ATOM   741  H H    . ASP A 1 45  ? 15.552  7.184   -3.833  0.89 13.46  ? 61  ASP A H    1 
ATOM   742  H HA   . ASP A 1 45  ? 16.370  7.714   -6.349  1.00 14.42  ? 61  ASP A HA   1 
ATOM   743  H HB2  . ASP A 1 45  ? 18.437  8.246   -5.475  1.00 16.82  ? 61  ASP A HB2  1 
ATOM   744  H HB3  . ASP A 1 45  ? 17.318  9.126   -4.772  1.00 16.82  ? 61  ASP A HB3  1 
ATOM   745  N N    . LYS A 1 46  ? 16.303  4.932   -5.639  1.00 9.90   ? 62  LYS A N    1 
ATOM   746  C CA   . LYS A 1 46  ? 16.719  3.526   -5.695  0.98 9.58   ? 62  LYS A CA   1 
ATOM   747  C C    . LYS A 1 46  ? 16.360  2.891   -7.032  0.93 8.38   ? 62  LYS A C    1 
ATOM   748  O O    . LYS A 1 46  ? 15.216  2.947   -7.504  0.98 8.62   ? 62  LYS A O    1 
ATOM   749  C CB   . LYS A 1 46  ? 16.030  2.737   -4.601  0.98 10.55  ? 62  LYS A CB   1 
ATOM   750  C CG   . LYS A 1 46  ? 16.300  3.201   -3.181  0.88 12.73  ? 62  LYS A CG   1 
ATOM   751  C CD   . LYS A 1 46  ? 15.498  2.389   -2.161  1.00 16.99  ? 62  LYS A CD   1 
ATOM   752  C CE   . LYS A 1 46  ? 15.687  2.869   -0.756  0.53 19.05  ? 62  LYS A CE   1 
ATOM   753  N NZ   . LYS A 1 46  ? 14.464  2.950   0.054   0.24 19.33  ? 62  LYS A NZ   1 
ATOM   754  H H    . LYS A 1 46  ? 15.453  5.027   -5.548  1.00 11.88  ? 62  LYS A H    1 
ATOM   755  H HA   . LYS A 1 46  ? 17.678  3.463   -5.568  0.99 11.50  ? 62  LYS A HA   1 
ATOM   756  H HB2  . LYS A 1 46  ? 15.072  2.787   -4.745  0.89 12.66  ? 62  LYS A HB2  1 
ATOM   757  H HB3  . LYS A 1 46  ? 16.318  1.813   -4.663  0.94 12.66  ? 62  LYS A HB3  1 
ATOM   758  H HG2  . LYS A 1 46  ? 17.243  3.091   -2.982  0.82 15.28  ? 62  LYS A HG2  1 
ATOM   759  H HG3  . LYS A 1 46  ? 16.046  4.133   -3.095  0.82 15.28  ? 62  LYS A HG3  1 
ATOM   760  H HD2  . LYS A 1 46  ? 14.554  2.457   -2.376  1.00 20.39  ? 62  LYS A HD2  1 
ATOM   761  H HD3  . LYS A 1 46  ? 15.782  1.463   -2.202  1.00 20.39  ? 62  LYS A HD3  1 
ATOM   762  H HE2  . LYS A 1 46  ? 16.296  2.264   -0.304  0.54 22.86  ? 62  LYS A HE2  1 
ATOM   763  H HE3  . LYS A 1 46  ? 16.076  3.758   -0.785  0.58 22.86  ? 62  LYS A HE3  1 
ATOM   764  H HZ1  . LYS A 1 46  ? 13.886  3.513   -0.323  0.21 23.20  ? 62  LYS A HZ1  1 
ATOM   765  H HZ2  . LYS A 1 46  ? 14.660  3.242   0.872   0.24 23.20  ? 62  LYS A HZ2  1 
ATOM   766  H HZ3  . LYS A 1 46  ? 14.087  2.147   0.116   0.25 23.20  ? 62  LYS A HZ3  1 
ATOM   767  N N    . ASN A 1 47  ? 17.361  2.235   -7.634  0.89 7.62   ? 63  ASN A N    1 
ATOM   768  C CA   . ASN A 1 47  ? 17.184  1.486   -8.883  0.90 7.10   ? 63  ASN A CA   1 
ATOM   769  C C    . ASN A 1 47  ? 16.493  0.151   -8.540  0.89 7.36   ? 63  ASN A C    1 
ATOM   770  O O    . ASN A 1 47  ? 17.044  -0.681  -7.824  0.99 8.55   ? 63  ASN A O    1 
ATOM   771  C CB   . ASN A 1 47  ? 18.568  1.272   -9.461  0.91 7.32   ? 63  ASN A CB   1 
ATOM   772  C CG   . ASN A 1 47  ? 18.584  0.575   -10.816 0.99 7.92   ? 63  ASN A CG   1 
ATOM   773  O OD1  . ASN A 1 47  ? 17.953  -0.486  -10.988 1.00 8.68   ? 63  ASN A OD1  1 
ATOM   774  N ND2  . ASN A 1 47  ? 19.321  1.127   -11.749 1.00 8.38   ? 63  ASN A ND2  1 
ATOM   775  H H    . ASN A 1 47  ? 18.165  2.209   -7.330  0.93 9.15   ? 63  ASN A H    1 
ATOM   776  H HA   . ASN A 1 47  ? 16.639  1.987   -9.510  0.94 8.52   ? 63  ASN A HA   1 
ATOM   777  H HB2  . ASN A 1 47  ? 18.997  2.135   -9.569  0.91 8.79   ? 63  ASN A HB2  1 
ATOM   778  H HB3  . ASN A 1 47  ? 19.081  0.727   -8.844  0.89 8.79   ? 63  ASN A HB3  1 
ATOM   779  H HD21 . ASN A 1 47  ? 19.363  0.772   -12.531 0.00 10.06  ? 63  ASN A HD21 1 
ATOM   780  H HD22 . ASN A 1 47  ? 19.763  1.845   -11.579 0.00 10.06  ? 63  ASN A HD22 1 
ATOM   781  N N    . ILE A 1 48  ? 15.250  0.006   -8.998  1.00 8.12   ? 64  ILE A N    1 
ATOM   782  C CA   . ILE A 1 48  ? 14.501  -1.207  -8.690  1.00 8.68   ? 64  ILE A CA   1 
ATOM   783  C C    . ILE A 1 48  ? 14.789  -2.257  -9.739  1.00 8.57   ? 64  ILE A C    1 
ATOM   784  O O    . ILE A 1 48  ? 15.217  -3.380  -9.410  0.94 10.02  ? 64  ILE A O    1 
ATOM   785  C CB   . ILE A 1 48  ? 12.985  -0.968  -8.561  1.00 8.37   ? 64  ILE A CB   1 
ATOM   786  C CG1  . ILE A 1 48  ? 12.623  0.174   -7.619  0.89 7.99   ? 64  ILE A CG1  1 
ATOM   787  C CG2  . ILE A 1 48  ? 12.332  -2.285  -8.132  0.89 9.06   ? 64  ILE A CG2  1 
ATOM   788  C CD1  . ILE A 1 48  ? 11.182  0.594   -7.719  0.83 8.46   ? 64  ILE A CD1  1 
ATOM   789  H H    . ILE A 1 48  ? 14.827  0.581   -9.478  1.00 9.75   ? 64  ILE A H    1 
ATOM   790  H HA   . ILE A 1 48  ? 14.813  -1.552  -7.840  1.00 10.41  ? 64  ILE A HA   1 
ATOM   791  H HB   . ILE A 1 48  ? 12.646  -0.742  -9.442  1.00 10.04  ? 64  ILE A HB   1 
ATOM   792  H HG12 . ILE A 1 48  ? 12.789  -0.107  -6.706  0.94 9.59   ? 64  ILE A HG12 1 
ATOM   793  H HG13 . ILE A 1 48  ? 13.173  0.944   -7.833  0.89 9.59   ? 64  ILE A HG13 1 
ATOM   794  H HG21 . ILE A 1 48  ? 12.511  -2.960  -8.805  0.91 10.87  ? 64  ILE A HG21 1 
ATOM   795  H HG22 . ILE A 1 48  ? 11.375  -2.149  -8.047  0.82 10.87  ? 64  ILE A HG22 1 
ATOM   796  H HG23 . ILE A 1 48  ? 12.705  -2.559  -7.280  0.87 10.87  ? 64  ILE A HG23 1 
ATOM   797  H HD11 . ILE A 1 48  ? 11.002  0.888   -8.626  0.78 10.15  ? 64  ILE A HD11 1 
ATOM   798  H HD12 . ILE A 1 48  ? 11.021  1.320   -7.097  0.76 10.15  ? 64  ILE A HD12 1 
ATOM   799  H HD13 . ILE A 1 48  ? 10.618  -0.163  -7.498  0.78 10.15  ? 64  ILE A HD13 1 
ATOM   800  N N    A ILE A 1 49  ? 14.659  -1.877  -11.000 0.51 7.80   ? 65  ILE A N    1 
ATOM   801  N N    B ILE A 1 49  ? 14.433  -1.994  -11.000 0.49 8.50   ? 65  ILE A N    1 
ATOM   802  C CA   A ILE A 1 49  ? 15.049  -2.760  -12.083 0.51 7.60   ? 65  ILE A CA   1 
ATOM   803  C CA   B ILE A 1 49  ? 14.791  -2.832  -12.164 0.49 9.83   ? 65  ILE A CA   1 
ATOM   804  C C    A ILE A 1 49  ? 15.240  -1.947  -13.360 0.51 7.02   ? 65  ILE A C    1 
ATOM   805  C C    B ILE A 1 49  ? 15.213  -1.931  -13.304 0.49 8.83   ? 65  ILE A C    1 
ATOM   806  O O    A ILE A 1 49  ? 14.350  -1.169  -13.748 0.51 6.59   ? 65  ILE A O    1 
ATOM   807  O O    B ILE A 1 49  ? 14.619  -0.866  -13.537 0.49 7.46   ? 65  ILE A O    1 
ATOM   808  C CB   A ILE A 1 49  ? 13.988  -3.873  -12.240 0.51 8.77   ? 65  ILE A CB   1 
ATOM   809  C CB   B ILE A 1 49  ? 13.675  -3.773  -12.703 0.49 11.14  ? 65  ILE A CB   1 
ATOM   810  C CG1  A ILE A 1 49  ? 14.492  -5.084  -13.019 0.51 9.19   ? 65  ILE A CG1  1 
ATOM   811  C CG1  B ILE A 1 49  ? 13.486  -4.927  -11.757 0.49 12.16  ? 65  ILE A CG1  1 
ATOM   812  C CG2  A ILE A 1 49  ? 12.645  -3.358  -12.866 0.51 9.03   ? 65  ILE A CG2  1 
ATOM   813  C CG2  B ILE A 1 49  ? 14.005  -4.317  -14.184 0.49 13.06  ? 65  ILE A CG2  1 
ATOM   814  C CD1  A ILE A 1 49  ? 15.557  -5.817  -12.309 0.51 11.39  ? 65  ILE A CD1  1 
ATOM   815  C CD1  B ILE A 1 49  ? 14.679  -5.930  -11.701 0.49 13.38  ? 65  ILE A CD1  1 
ATOM   816  H H    A ILE A 1 49  ? 14.349  -1.116  -11.254 0.51 9.36   ? 65  ILE A H    1 
ATOM   817  H H    B ILE A 1 49  ? 13.963  -1.308  -11.219 0.49 10.20  ? 65  ILE A H    1 
ATOM   818  H HA   A ILE A 1 49  ? 15.895  -3.179  -11.862 0.51 9.12   ? 65  ILE A HA   1 
ATOM   819  H HA   B ILE A 1 49  ? 15.552  -3.384  -11.927 0.49 11.79  ? 65  ILE A HA   1 
ATOM   820  H HB   A ILE A 1 49  ? 13.777  -4.185  -11.346 0.51 10.52  ? 65  ILE A HB   1 
ATOM   821  H HB   B ILE A 1 49  ? 12.846  -3.271  -12.741 0.49 13.37  ? 65  ILE A HB   1 
ATOM   822  H HG12 A ILE A 1 49  ? 13.754  -5.695  -13.166 0.51 11.02  ? 65  ILE A HG12 1 
ATOM   823  H HG12 B ILE A 1 49  ? 13.357  -4.576  -10.862 0.49 14.59  ? 65  ILE A HG12 1 
ATOM   824  H HG13 A ILE A 1 49  ? 14.850  -4.785  -13.870 0.51 11.02  ? 65  ILE A HG13 1 
ATOM   825  H HG13 B ILE A 1 49  ? 12.698  -5.424  -12.028 0.49 14.59  ? 65  ILE A HG13 1 
ATOM   826  H HG21 A ILE A 1 49  ? 12.272  -2.671  -12.292 0.51 10.84  ? 65  ILE A HG21 1 
ATOM   827  H HG21 B ILE A 1 49  ? 14.087  -3.561  -14.786 0.49 15.67  ? 65  ILE A HG21 1 
ATOM   828  H HG22 A ILE A 1 49  ? 12.025  -4.101  -12.938 0.51 10.84  ? 65  ILE A HG22 1 
ATOM   829  H HG22 B ILE A 1 49  ? 13.284  -4.896  -14.475 0.49 15.67  ? 65  ILE A HG22 1 
ATOM   830  H HG23 A ILE A 1 49  ? 12.826  -2.992  -13.746 0.51 10.84  ? 65  ILE A HG23 1 
ATOM   831  H HG23 B ILE A 1 49  ? 14.839  -4.812  -14.159 0.49 15.67  ? 65  ILE A HG23 1 
ATOM   832  H HD11 A ILE A 1 49  ? 16.308  -5.220  -12.163 0.51 13.67  ? 65  ILE A HD11 1 
ATOM   833  H HD11 B ILE A 1 49  ? 14.815  -6.306  -12.585 0.49 16.05  ? 65  ILE A HD11 1 
ATOM   834  H HD12 A ILE A 1 49  ? 15.835  -6.572  -12.851 0.51 13.67  ? 65  ILE A HD12 1 
ATOM   835  H HD12 B ILE A 1 49  ? 14.468  -6.635  -11.070 0.49 16.05  ? 65  ILE A HD12 1 
ATOM   836  H HD13 A ILE A 1 49  ? 15.212  -6.130  -11.458 0.51 13.67  ? 65  ILE A HD13 1 
ATOM   837  H HD13 B ILE A 1 49  ? 15.476  -5.456  -11.416 0.49 16.05  ? 65  ILE A HD13 1 
ATOM   838  N N    A GLN A 1 50  ? 16.389  -2.113  -14.011 0.51 6.74   ? 66  GLN A N    1 
ATOM   839  N N    B GLN A 1 50  ? 16.196  -2.413  -14.064 0.49 8.50   ? 66  GLN A N    1 
ATOM   840  C CA   A GLN A 1 50  ? 16.576  -1.589  -15.362 0.51 7.19   ? 66  GLN A CA   1 
ATOM   841  C CA   B GLN A 1 50  ? 16.723  -1.755  -15.260 0.49 8.86   ? 66  GLN A CA   1 
ATOM   842  C C    A GLN A 1 50  ? 16.717  -2.771  -16.303 0.51 6.87   ? 66  GLN A C    1 
ATOM   843  C C    B GLN A 1 50  ? 16.836  -2.825  -16.342 0.49 8.81   ? 66  GLN A C    1 
ATOM   844  O O    A GLN A 1 50  ? 17.343  -3.790  -15.975 0.51 7.80   ? 66  GLN A O    1 
ATOM   845  O O    B GLN A 1 50  ? 17.497  -3.854  -16.128 0.49 10.08  ? 66  GLN A O    1 
ATOM   846  C CB   A GLN A 1 50  ? 17.760  -0.616  -15.505 0.51 7.08   ? 66  GLN A CB   1 
ATOM   847  C CB   B GLN A 1 50  ? 18.087  -1.166  -14.904 0.49 9.30   ? 66  GLN A CB   1 
ATOM   848  C CG   A GLN A 1 50  ? 19.149  -1.278  -15.408 0.51 7.26   ? 66  GLN A CG   1 
ATOM   849  C CG   B GLN A 1 50  ? 18.862  -0.571  -16.036 0.49 8.99   ? 66  GLN A CG   1 
ATOM   850  C CD   A GLN A 1 50  ? 20.229  -0.214  -15.345 0.51 7.76   ? 66  GLN A CD   1 
ATOM   851  C CD   B GLN A 1 50  ? 20.107  0.088   -15.536 0.49 11.43  ? 66  GLN A CD   1 
ATOM   852  O OE1  A GLN A 1 50  ? 20.165  0.743   -14.578 0.51 7.51   ? 66  GLN A OE1  1 
ATOM   853  O OE1  B GLN A 1 50  ? 20.083  0.803   -14.538 0.49 11.26  ? 66  GLN A OE1  1 
ATOM   854  N NE2  A GLN A 1 50  ? 21.297  -0.415  -16.134 0.51 8.86   ? 66  GLN A NE2  1 
ATOM   855  N NE2  B GLN A 1 50  ? 21.244  -0.199  -16.194 0.49 13.20  ? 66  GLN A NE2  1 
ATOM   856  H H    A GLN A 1 50  ? 17.074  -2.524  -13.693 0.51 8.09   ? 66  GLN A H    1 
ATOM   857  H H    B GLN A 1 50  ? 16.592  -3.158  -13.897 0.49 10.20  ? 66  GLN A H    1 
ATOM   858  H HA   A GLN A 1 50  ? 15.774  -1.107  -15.618 0.51 8.63   ? 66  GLN A HA   1 
ATOM   859  H HA   B GLN A 1 50  ? 16.127  -1.049  -15.556 0.49 10.63  ? 66  GLN A HA   1 
ATOM   860  H HB2  A GLN A 1 50  ? 17.701  -0.182  -16.370 0.51 8.49   ? 66  GLN A HB2  1 
ATOM   861  H HB2  B GLN A 1 50  ? 17.954  -0.466  -14.246 0.49 11.16  ? 66  GLN A HB2  1 
ATOM   862  H HB3  A GLN A 1 50  ? 17.701  0.048   -14.801 0.51 8.49   ? 66  GLN A HB3  1 
ATOM   863  H HB3  B GLN A 1 50  ? 18.632  -1.870  -14.520 0.49 11.16  ? 66  GLN A HB3  1 
ATOM   864  H HG2  A GLN A 1 50  ? 19.197  -1.815  -14.602 0.51 8.71   ? 66  GLN A HG2  1 
ATOM   865  H HG2  B GLN A 1 50  ? 19.114  -1.271  -16.657 0.49 10.79  ? 66  GLN A HG2  1 
ATOM   866  H HG3  A GLN A 1 50  ? 19.302  -1.827  -16.193 0.51 8.71   ? 66  GLN A HG3  1 
ATOM   867  H HG3  B GLN A 1 50  ? 18.319  0.098   -16.482 0.49 10.79  ? 66  GLN A HG3  1 
ATOM   868  H HE21 A GLN A 1 50  ? 21.941  0.155   -16.139 0.51 10.63  ? 66  GLN A HE21 1 
ATOM   869  H HE21 B GLN A 1 50  ? 21.986  0.156   -15.944 0.49 15.84  ? 66  GLN A HE21 1 
ATOM   870  H HE22 A GLN A 1 50  ? 21.337  -1.115  -16.633 0.51 10.63  ? 66  GLN A HE22 1 
ATOM   871  H HE22 B GLN A 1 50  ? 21.229  -0.737  -16.864 0.49 15.84  ? 66  GLN A HE22 1 
ATOM   872  N N    . PHE A 1 51  ? 16.195  -2.591  -17.488 0.97 7.48   ? 67  PHE A N    1 
ATOM   873  C CA   . PHE A 1 51  ? 16.093  -3.630  -18.531 0.96 7.31   ? 67  PHE A CA   1 
ATOM   874  C C    . PHE A 1 51  ? 16.454  -3.004  -19.854 0.86 6.49   ? 67  PHE A C    1 
ATOM   875  O O    . PHE A 1 51  ? 15.862  -2.002  -20.269 0.91 7.21   ? 67  PHE A O    1 
ATOM   876  C CB   . PHE A 1 51  ? 14.646  -4.160  -18.541 0.97 7.80   ? 67  PHE A CB   1 
ATOM   877  C CG   . PHE A 1 51  ? 14.409  -5.302  -19.483 1.00 7.94   ? 67  PHE A CG   1 
ATOM   878  C CD1  . PHE A 1 51  ? 14.045  -5.100  -20.808 1.00 9.24   ? 67  PHE A CD1  1 
ATOM   879  C CD2  . PHE A 1 51  ? 14.563  -6.599  -19.028 1.00 8.81   ? 67  PHE A CD2  1 
ATOM   880  C CE1  . PHE A 1 51  ? 13.830  -6.217  -21.639 1.00 10.58  ? 67  PHE A CE1  1 
ATOM   881  C CE2  . PHE A 1 51  ? 14.335  -7.686  -19.855 0.93 9.12   ? 67  PHE A CE2  1 
ATOM   882  C CZ   . PHE A 1 51  ? 13.960  -7.473  -21.133 0.91 9.63   ? 67  PHE A CZ   1 
ATOM   883  H H    . PHE A 1 51  ? 15.839  -1.843  -17.720 0.89 8.98   ? 67  PHE A H    1 
ATOM   884  H HA   . PHE A 1 51  ? 16.703  -4.361  -18.343 1.00 8.78   ? 67  PHE A HA   1 
ATOM   885  H HB2  . PHE A 1 51  ? 14.421  -4.464  -17.648 0.94 9.36   ? 67  PHE A HB2  1 
ATOM   886  H HB3  . PHE A 1 51  ? 14.053  -3.437  -18.800 0.89 9.36   ? 67  PHE A HB3  1 
ATOM   887  H HD1  . PHE A 1 51  ? 13.936  -4.238  -21.141 1.00 11.08  ? 67  PHE A HD1  1 
ATOM   888  H HD2  . PHE A 1 51  ? 14.799  -6.745  -18.140 1.00 10.58  ? 67  PHE A HD2  1 
ATOM   889  H HE1  . PHE A 1 51  ? 13.576  -6.096  -22.525 1.00 12.69  ? 67  PHE A HE1  1 
ATOM   890  H HE2  . PHE A 1 51  ? 14.435  -8.552  -19.532 0.92 10.94  ? 67  PHE A HE2  1 
ATOM   891  H HZ   . PHE A 1 51  ? 13.829  -8.203  -21.694 0.93 11.56  ? 67  PHE A HZ   1 
ATOM   892  N N    . VAL A 1 52  ? 17.454  -3.588  -20.524 0.94 7.50   ? 68  VAL A N    1 
ATOM   893  C CA   . VAL A 1 52  ? 17.986  -3.058  -21.777 1.00 8.77   ? 68  VAL A CA   1 
ATOM   894  C C    . VAL A 1 52  ? 18.559  -4.230  -22.558 0.98 8.76   ? 68  VAL A C    1 
ATOM   895  O O    . VAL A 1 52  ? 19.089  -5.179  -21.975 0.99 9.37   ? 68  VAL A O    1 
ATOM   896  C CB   . VAL A 1 52  ? 18.962  -1.910  -21.547 0.77 10.77  ? 68  VAL A CB   1 
ATOM   897  C CG1  . VAL A 1 52  ? 20.111  -2.314  -20.814 0.62 10.63  ? 68  VAL A CG1  1 
ATOM   898  C CG2  . VAL A 1 52  ? 19.389  -1.228  -22.840 0.65 12.17  ? 68  VAL A CG2  1 
ATOM   899  H H    . VAL A 1 52  ? 17.847  -4.308  -20.263 0.94 9.00   ? 68  VAL A H    1 
ATOM   900  H HA   . VAL A 1 52  ? 17.246  -2.703  -22.295 1.00 10.52  ? 68  VAL A HA   1 
ATOM   901  H HB   . VAL A 1 52  ? 18.510  -1.240  -21.012 0.78 12.92  ? 68  VAL A HB   1 
ATOM   902  H HG11 . VAL A 1 52  ? 19.831  -2.652  -19.949 0.62 12.76  ? 68  VAL A HG11 1 
ATOM   903  H HG12 . VAL A 1 52  ? 20.696  -1.549  -20.697 0.58 12.76  ? 68  VAL A HG12 1 
ATOM   904  H HG13 . VAL A 1 52  ? 20.572  -3.010  -21.308 0.56 12.76  ? 68  VAL A HG13 1 
ATOM   905  H HG21 . VAL A 1 52  ? 19.821  -1.880  -23.413 0.64 14.60  ? 68  VAL A HG21 1 
ATOM   906  H HG22 . VAL A 1 52  ? 20.007  -0.511  -22.629 0.55 14.60  ? 68  VAL A HG22 1 
ATOM   907  H HG23 . VAL A 1 52  ? 18.603  -0.869  -23.281 0.59 14.60  ? 68  VAL A HG23 1 
ATOM   908  N N    . HIS A 1 53  ? 18.456  -4.178  -23.877 0.92 9.18   ? 69  HIS A N    1 
ATOM   909  C CA   . HIS A 1 53  ? 18.969  -5.246  -24.732 0.90 10.55  ? 69  HIS A CA   1 
ATOM   910  C C    . HIS A 1 53  ? 18.475  -6.620  -24.262 0.89 10.51  ? 69  HIS A C    1 
ATOM   911  O O    . HIS A 1 53  ? 19.179  -7.635  -24.305 0.85 11.78  ? 69  HIS A O    1 
ATOM   912  C CB   . HIS A 1 53  ? 20.487  -5.248  -24.828 0.80 11.51  ? 69  HIS A CB   1 
ATOM   913  C CG   . HIS A 1 53  ? 21.103  -4.124  -25.580 0.69 12.33  ? 69  HIS A CG   1 
ATOM   914  N ND1  . HIS A 1 53  ? 20.511  -3.130  -26.351 0.48 13.17  ? 69  HIS A ND1  1 
ATOM   915  C CD2  . HIS A 1 53  ? 22.432  -3.959  -25.739 0.51 11.51  ? 69  HIS A CD2  1 
ATOM   916  C CE1  . HIS A 1 53  ? 21.459  -2.382  -26.892 0.61 13.94  ? 69  HIS A CE1  1 
ATOM   917  N NE2  . HIS A 1 53  ? 22.615  -2.821  -26.471 0.35 13.99  ? 69  HIS A NE2  1 
ATOM   918  H H    . HIS A 1 53  ? 18.091  -3.530  -24.309 0.84 11.02  ? 69  HIS A H    1 
ATOM   919  H HA   . HIS A 1 53  ? 18.624  -5.107  -25.628 0.85 12.66  ? 69  HIS A HA   1 
ATOM   920  H HB2  . HIS A 1 53  ? 20.848  -5.224  -23.928 0.82 13.81  ? 69  HIS A HB2  1 
ATOM   921  H HB3  . HIS A 1 53  ? 20.762  -6.070  -25.262 0.83 13.81  ? 69  HIS A HB3  1 
ATOM   922  H HD2  . HIS A 1 53  ? 23.098  -4.456  -25.323 0.49 13.82  ? 69  HIS A HD2  1 
ATOM   923  H HE1  . HIS A 1 53  ? 21.322  -1.628  -27.418 0.63 16.73  ? 69  HIS A HE1  1 
ATOM   924  H HE2  . HIS A 1 53  ? 23.379  -2.511  -26.715 0.00 16.79  ? 69  HIS A HE2  1 
ATOM   925  N N    . GLY A 1 54  ? 17.217  -6.668  -23.845 1.00 10.07  ? 70  GLY A N    1 
ATOM   926  C CA   . GLY A 1 54  ? 16.559  -7.904  -23.493 0.98 10.33  ? 70  GLY A CA   1 
ATOM   927  C C    . GLY A 1 54  ? 16.902  -8.495  -22.144 0.98 9.48   ? 70  GLY A C    1 
ATOM   928  O O    . GLY A 1 54  ? 16.471  -9.629  -21.891 0.96 10.13  ? 70  GLY A O    1 
ATOM   929  H H    . GLY A 1 54  ? 16.716  -5.975  -23.758 1.00 12.08  ? 70  GLY A H    1 
ATOM   930  H HA2  . GLY A 1 54  ? 15.600  -7.759  -23.513 0.92 12.40  ? 70  GLY A HA2  1 
ATOM   931  H HA3  . GLY A 1 54  ? 16.771  -8.569  -24.166 0.91 12.40  ? 70  GLY A HA3  1 
ATOM   932  N N    . GLU A 1 55  ? 17.656  -7.791  -21.289 1.00 8.90   ? 71  GLU A N    1 
ATOM   933  C CA   . GLU A 1 55  ? 18.104  -8.314  -20.032 1.00 9.00   ? 71  GLU A CA   1 
ATOM   934  C C    . GLU A 1 55  ? 17.981  -7.309  -18.899 1.00 8.39   ? 71  GLU A C    1 
ATOM   935  O O    . GLU A 1 55  ? 18.160  -6.096  -19.094 0.97 8.86   ? 71  GLU A O    1 
ATOM   936  C CB   . GLU A 1 55  ? 19.567  -8.769  -20.106 1.00 10.56  ? 71  GLU A CB   1 
ATOM   937  C CG   . GLU A 1 55  ? 19.790  -9.866  -21.140 1.00 13.01  ? 71  GLU A CG   1 
ATOM   938  C CD   . GLU A 1 55  ? 21.200  -10.368 -21.095 1.00 14.83  ? 71  GLU A CD   1 
ATOM   939  O OE1  . GLU A 1 55  ? 22.060  -9.866  -21.849 0.54 16.59  ? 71  GLU A OE1  1 
ATOM   940  O OE2  . GLU A 1 55  ? 21.445  -11.314 -20.334 0.90 14.26  ? 71  GLU A OE2  1 
ATOM   941  H H    . GLU A 1 55  ? 17.918  -6.986  -21.437 1.00 10.68  ? 71  GLU A H    1 
ATOM   942  H HA   . GLU A 1 55  ? 17.563  -9.086  -19.804 1.00 10.80  ? 71  GLU A HA   1 
ATOM   943  H HB2  . GLU A 1 55  ? 20.122  -8.012  -20.348 1.00 12.67  ? 71  GLU A HB2  1 
ATOM   944  H HB3  . GLU A 1 55  ? 19.835  -9.115  -19.240 1.00 12.67  ? 71  GLU A HB3  1 
ATOM   945  H HG2  . GLU A 1 55  ? 19.195  -10.609 -20.954 1.00 15.61  ? 71  GLU A HG2  1 
ATOM   946  H HG3  . GLU A 1 55  ? 19.620  -9.511  -22.027 1.00 15.61  ? 71  GLU A HG3  1 
ATOM   947  N N    . GLU A 1 56  ? 17.714  -7.827  -17.697 0.96 8.22   ? 72  GLU A N    1 
ATOM   948  C CA   . GLU A 1 56  ? 17.807  -7.040  -16.480 1.00 8.78   ? 72  GLU A CA   1 
ATOM   949  C C    . GLU A 1 56  ? 19.269  -6.848  -16.097 1.00 9.16   ? 72  GLU A C    1 
ATOM   950  O O    . GLU A 1 56  ? 20.066  -7.788  -16.173 0.88 11.98  ? 72  GLU A O    1 
ATOM   951  C CB   . GLU A 1 56  ? 17.125  -7.759  -15.318 0.93 8.67   ? 72  GLU A CB   1 
ATOM   952  C CG   . GLU A 1 56  ? 15.624  -7.904  -15.493 0.96 9.62   ? 72  GLU A CG   1 
ATOM   953  C CD   . GLU A 1 56  ? 14.912  -8.818  -14.476 1.00 10.82  ? 72  GLU A CD   1 
ATOM   954  O OE1  . GLU A 1 56  ? 15.577  -9.673  -13.855 0.88 12.38  ? 72  GLU A OE1  1 
ATOM   955  O OE2  . GLU A 1 56  ? 13.688  -8.706  -14.349 1.00 13.22  ? 72  GLU A OE2  1 
ATOM   956  H H    . GLU A 1 56  ? 17.474  -8.643  -17.566 0.95 9.86   ? 72  GLU A H    1 
ATOM   957  H HA   . GLU A 1 56  ? 17.393  -6.173  -16.608 1.00 10.53  ? 72  GLU A HA   1 
ATOM   958  H HB2  . GLU A 1 56  ? 17.502  -8.649  -15.235 0.90 10.40  ? 72  GLU A HB2  1 
ATOM   959  H HB3  . GLU A 1 56  ? 17.282  -7.257  -14.503 0.96 10.40  ? 72  GLU A HB3  1 
ATOM   960  H HG2  . GLU A 1 56  ? 15.222  -7.024  -15.422 1.00 11.54  ? 72  GLU A HG2  1 
ATOM   961  H HG3  . GLU A 1 56  ? 15.453  -8.266  -16.376 0.98 11.54  ? 72  GLU A HG3  1 
ATOM   962  N N    A ASP A 1 57  ? 19.631  -5.652  -15.610 0.68 8.30   ? 73  ASP A N    1 
ATOM   963  N N    B ASP A 1 57  ? 19.602  -5.656  -15.610 0.32 10.43  ? 73  ASP A N    1 
ATOM   964  C CA   A ASP A 1 57  ? 20.994  -5.362  -15.148 0.68 8.39   ? 73  ASP A CA   1 
ATOM   965  C CA   B ASP A 1 57  ? 20.943  -5.387  -15.117 0.32 11.76  ? 73  ASP A CA   1 
ATOM   966  C C    A ASP A 1 57  ? 20.985  -5.425  -13.620 0.68 8.47   ? 73  ASP A C    1 
ATOM   967  C C    B ASP A 1 57  ? 20.924  -5.441  -13.591 0.32 10.68  ? 73  ASP A C    1 
ATOM   968  O O    A ASP A 1 57  ? 20.896  -4.406  -12.927 0.68 9.87   ? 73  ASP A O    1 
ATOM   969  O O    B ASP A 1 57  ? 20.782  -4.442  -12.888 0.32 11.90  ? 73  ASP A O    1 
ATOM   970  C CB   A ASP A 1 57  ? 21.488  -4.034  -15.665 0.68 9.34   ? 73  ASP A CB   1 
ATOM   971  C CB   B ASP A 1 57  ? 21.446  -4.071  -15.635 0.32 13.40  ? 73  ASP A CB   1 
ATOM   972  C CG   A ASP A 1 57  ? 21.749  -3.941  -17.198 0.68 9.91   ? 73  ASP A CG   1 
ATOM   973  C CG   B ASP A 1 57  ? 22.835  -3.785  -15.156 0.32 14.00  ? 73  ASP A CG   1 
ATOM   974  O OD1  A ASP A 1 57  ? 21.816  -4.990  -17.873 0.68 10.39  ? 73  ASP A OD1  1 
ATOM   975  O OD1  B ASP A 1 57  ? 23.366  -4.441  -14.226 0.32 15.15  ? 73  ASP A OD1  1 
ATOM   976  O OD2  A ASP A 1 57  ? 21.988  -2.760  -17.740 0.68 11.61  ? 73  ASP A OD2  1 
ATOM   977  O OD2  B ASP A 1 57  ? 23.426  -2.894  -15.757 0.32 16.01  ? 73  ASP A OD2  1 
ATOM   978  H H    A ASP A 1 57  ? 19.095  -4.984  -15.537 0.68 9.96   ? 73  ASP A H    1 
ATOM   979  H H    B ASP A 1 57  ? 19.066  -4.985  -15.556 0.32 12.52  ? 73  ASP A H    1 
ATOM   980  H HA   A ASP A 1 57  ? 21.592  -6.052  -15.474 0.68 10.07  ? 73  ASP A HA   1 
ATOM   981  H HA   B ASP A 1 57  ? 21.542  -6.082  -15.434 0.32 14.11  ? 73  ASP A HA   1 
ATOM   982  H HB2  A ASP A 1 57  ? 20.829  -3.358  -15.444 0.68 11.20  ? 73  ASP A HB2  1 
ATOM   983  H HB2  B ASP A 1 57  ? 21.458  -4.093  -16.604 0.32 16.08  ? 73  ASP A HB2  1 
ATOM   984  H HB3  A ASP A 1 57  ? 22.324  -3.827  -15.218 0.68 11.20  ? 73  ASP A HB3  1 
ATOM   985  H HB3  B ASP A 1 57  ? 20.865  -3.361  -15.322 0.32 16.08  ? 73  ASP A HB3  1 
ATOM   986  N N    . LEU A 1 58  ? 21.067  -6.645  -13.066 1.00 9.30   ? 74  LEU A N    1 
ATOM   987  C CA   . LEU A 1 58  ? 20.927  -6.828  -11.644 1.00 10.14  ? 74  LEU A CA   1 
ATOM   988  C C    . LEU A 1 58  ? 22.130  -6.321  -10.841 1.00 9.93   ? 74  LEU A C    1 
ATOM   989  O O    . LEU A 1 58  ? 22.004  -6.096  -9.649  0.94 10.79  ? 74  LEU A O    1 
ATOM   990  C CB   . LEU A 1 58  ? 20.624  -8.284  -11.297 0.98 11.28  ? 74  LEU A CB   1 
ATOM   991  C CG   . LEU A 1 58  ? 19.296  -8.794  -11.865 1.00 11.50  ? 74  LEU A CG   1 
ATOM   992  C CD1  . LEU A 1 58  ? 19.122  -10.293 -11.553 0.77 13.11  ? 74  LEU A CD1  1 
ATOM   993  C CD2  . LEU A 1 58  ? 18.111  -8.019  -11.364 0.94 12.44  ? 74  LEU A CD2  1 
ATOM   994  H H    . LEU A 1 58  ? 21.223  -7.365  -13.509 1.00 11.16  ? 74  LEU A H    1 
ATOM   995  H HA   . LEU A 1 58  ? 20.161  -6.308  -11.355 1.00 12.17  ? 74  LEU A HA   1 
ATOM   996  H HB2  . LEU A 1 58  ? 21.332  -8.843  -11.652 0.99 13.53  ? 74  LEU A HB2  1 
ATOM   997  H HB3  . LEU A 1 58  ? 20.587  -8.373  -10.332 1.00 13.53  ? 74  LEU A HB3  1 
ATOM   998  H HG   . LEU A 1 58  ? 19.318  -8.699  -12.830 1.00 13.80  ? 74  LEU A HG   1 
ATOM   999  H HD11 . LEU A 1 58  ? 19.853  -10.786 -11.956 0.71 15.73  ? 74  LEU A HD11 1 
ATOM   1000 H HD12 . LEU A 1 58  ? 18.276  -10.595 -11.920 0.71 15.73  ? 74  LEU A HD12 1 
ATOM   1001 H HD13 . LEU A 1 58  ? 19.128  -10.418 -10.591 0.74 15.73  ? 74  LEU A HD13 1 
ATOM   1002 H HD21 . LEU A 1 58  ? 18.073  -8.092  -10.398 0.98 14.93  ? 74  LEU A HD21 1 
ATOM   1003 H HD22 . LEU A 1 58  ? 17.305  -8.388  -11.757 0.94 14.93  ? 74  LEU A HD22 1 
ATOM   1004 H HD23 . LEU A 1 58  ? 18.211  -7.089  -11.623 0.91 14.93  ? 74  LEU A HD23 1 
ATOM   1005 N N    A LYS A 1 59  ? 23.258  -6.069  -11.478 0.48 9.17   ? 75  LYS A N    1 
ATOM   1006 N N    B LYS A 1 59  ? 23.274  -6.102  -11.484 0.52 10.42  ? 75  LYS A N    1 
ATOM   1007 C CA   A LYS A 1 59  ? 24.377  -5.539  -10.729 0.48 9.93   ? 75  LYS A CA   1 
ATOM   1008 C CA   B LYS A 1 59  ? 24.444  -5.509  -10.831 0.52 11.41  ? 75  LYS A CA   1 
ATOM   1009 C C    A LYS A 1 59  ? 24.146  -4.120  -10.253 0.48 10.35  ? 75  LYS A C    1 
ATOM   1010 C C    B LYS A 1 59  ? 24.278  -4.029  -10.531 0.52 10.65  ? 75  LYS A C    1 
ATOM   1011 O O    A LYS A 1 59  ? 24.690  -3.735  -9.202  0.48 11.77  ? 75  LYS A O    1 
ATOM   1012 O O    B LYS A 1 59  ? 25.129  -3.436  -9.867  0.52 11.36  ? 75  LYS A O    1 
ATOM   1013 C CB   A LYS A 1 59  ? 25.694  -5.773  -11.455 0.48 11.50  ? 75  LYS A CB   1 
ATOM   1014 C CB   B LYS A 1 59  ? 25.670  -5.580  -11.739 0.52 13.38  ? 75  LYS A CB   1 
ATOM   1015 C CG   A LYS A 1 59  ? 25.900  -7.258  -11.728 0.48 13.52  ? 75  LYS A CG   1 
ATOM   1016 C CG   B LYS A 1 59  ? 26.220  -6.982  -12.065 0.52 15.82  ? 75  LYS A CG   1 
ATOM   1017 C CD   A LYS A 1 59  ? 27.267  -7.601  -12.315 0.48 14.23  ? 75  LYS A CD   1 
ATOM   1018 C CD   B LYS A 1 59  ? 27.405  -6.964  -13.096 0.52 17.57  ? 75  LYS A CD   1 
ATOM   1019 C CE   A LYS A 1 59  ? 27.431  -9.060  -12.671 0.48 16.35  ? 75  LYS A CE   1 
ATOM   1020 C CE   B LYS A 1 59  ? 27.898  -8.342  -13.371 0.52 20.71  ? 75  LYS A CE   1 
ATOM   1021 N NZ   A LYS A 1 59  ? 28.665  -9.372  -13.447 0.48 18.97  ? 75  LYS A NZ   1 
ATOM   1022 N NZ   B LYS A 1 59  ? 28.996  -8.303  -14.347 0.52 21.77  ? 75  LYS A NZ   1 
ATOM   1023 H H    A LYS A 1 59  ? 23.399  -6.192  -12.318 0.48 11.00  ? 75  LYS A H    1 
ATOM   1024 H H    B LYS A 1 59  ? 23.402  -6.290  -12.313 0.52 12.50  ? 75  LYS A H    1 
ATOM   1025 H HA   A LYS A 1 59  ? 24.437  -6.070  -9.919  0.48 11.92  ? 75  LYS A HA   1 
ATOM   1026 H HA   B LYS A 1 59  ? 24.636  -5.979  -10.004 0.52 13.69  ? 75  LYS A HA   1 
ATOM   1027 H HB2  A LYS A 1 59  ? 25.683  -5.305  -12.304 0.48 13.80  ? 75  LYS A HB2  1 
ATOM   1028 H HB2  B LYS A 1 59  ? 25.445  -5.158  -12.583 0.52 16.06  ? 75  LYS A HB2  1 
ATOM   1029 H HB3  A LYS A 1 59  ? 26.428  -5.458  -10.904 0.48 13.80  ? 75  LYS A HB3  1 
ATOM   1030 H HB3  B LYS A 1 59  ? 26.388  -5.083  -11.316 0.52 16.06  ? 75  LYS A HB3  1 
ATOM   1031 H HG2  A LYS A 1 59  ? 25.806  -7.744  -10.893 0.48 16.23  ? 75  LYS A HG2  1 
ATOM   1032 H HG2  B LYS A 1 59  ? 26.544  -7.391  -11.247 0.52 18.98  ? 75  LYS A HG2  1 
ATOM   1033 H HG3  A LYS A 1 59  ? 25.224  -7.556  -12.357 0.48 16.23  ? 75  LYS A HG3  1 
ATOM   1034 H HG3  B LYS A 1 59  ? 25.506  -7.520  -12.442 0.52 18.98  ? 75  LYS A HG3  1 
ATOM   1035 H HD2  A LYS A 1 59  ? 27.399  -7.083  -13.125 0.48 17.07  ? 75  LYS A HD2  1 
ATOM   1036 H HD2  B LYS A 1 59  ? 27.099  -6.577  -13.932 0.52 21.08  ? 75  LYS A HD2  1 
ATOM   1037 H HD3  A LYS A 1 59  ? 27.952  -7.376  -11.666 0.48 17.07  ? 75  LYS A HD3  1 
ATOM   1038 H HD3  B LYS A 1 59  ? 28.139  -6.444  -12.733 0.52 21.08  ? 75  LYS A HD3  1 
ATOM   1039 H HE2  A LYS A 1 59  ? 27.460  -9.578  -11.851 0.48 19.62  ? 75  LYS A HE2  1 
ATOM   1040 H HE2  B LYS A 1 59  ? 28.229  -8.738  -12.550 0.52 24.86  ? 75  LYS A HE2  1 
ATOM   1041 H HE3  A LYS A 1 59  ? 26.670  -9.337  -13.205 0.48 19.62  ? 75  LYS A HE3  1 
ATOM   1042 H HE3  B LYS A 1 59  ? 27.177  -8.877  -13.739 0.52 24.86  ? 75  LYS A HE3  1 
ATOM   1043 H HZ1  A LYS A 1 59  ? 28.663  -8.922  -14.215 0.48 22.76  ? 75  LYS A HZ1  1 
ATOM   1044 H HZ1  B LYS A 1 59  ? 28.713  -7.941  -15.109 0.52 26.13  ? 75  LYS A HZ1  1 
ATOM   1045 H HZ2  A LYS A 1 59  ? 28.702  -10.244 -13.623 0.48 22.76  ? 75  LYS A HZ2  1 
ATOM   1046 H HZ2  B LYS A 1 59  ? 29.289  -9.128  -14.509 0.52 26.13  ? 75  LYS A HZ2  1 
ATOM   1047 H HZ3  A LYS A 1 59  ? 29.386  -9.141  -12.978 0.48 22.76  ? 75  LYS A HZ3  1 
ATOM   1048 H HZ3  B LYS A 1 59  ? 29.669  -7.815  -14.028 0.52 26.13  ? 75  LYS A HZ3  1 
ATOM   1049 N N    A VAL A 1 60  ? 23.231  -3.399  -10.889 0.48 9.43   ? 76  VAL A N    1 
ATOM   1050 N N    B VAL A 1 60  ? 23.201  -3.418  -11.002 0.52 9.30   ? 76  VAL A N    1 
ATOM   1051 C CA   A VAL A 1 60  ? 22.935  -2.012  -10.570 0.48 10.30  ? 76  VAL A CA   1 
ATOM   1052 C CA   B VAL A 1 60  ? 22.896  -2.023  -10.709 0.52 9.68   ? 76  VAL A CA   1 
ATOM   1053 C C    A VAL A 1 60  ? 21.635  -1.862  -9.800  0.48 9.67   ? 76  VAL A C    1 
ATOM   1054 C C    B VAL A 1 60  ? 21.679  -1.884  -9.801  0.52 8.96   ? 76  VAL A C    1 
ATOM   1055 O O    A VAL A 1 60  ? 21.251  -0.760  -9.419  0.48 10.13  ? 76  VAL A O    1 
ATOM   1056 O O    B VAL A 1 60  ? 21.428  -0.797  -9.284  0.52 9.38   ? 76  VAL A O    1 
ATOM   1057 C CB   A VAL A 1 60  ? 23.038  -1.204  -11.890 0.48 13.02  ? 76  VAL A CB   1 
ATOM   1058 C CB   B VAL A 1 60  ? 22.768  -1.170  -12.007 0.52 12.40  ? 76  VAL A CB   1 
ATOM   1059 C CG1  A VAL A 1 60  ? 22.622  0.283   -11.934 0.48 9.23   ? 76  VAL A CG1  1 
ATOM   1060 C CG1  B VAL A 1 60  ? 23.846  -1.570  -13.037 0.52 13.84  ? 76  VAL A CG1  1 
ATOM   1061 C CG2  A VAL A 1 60  ? 24.489  -1.239  -12.345 0.48 13.14  ? 76  VAL A CG2  1 
ATOM   1062 C CG2  B VAL A 1 60  ? 21.650  -1.349  -12.615 0.52 12.79  ? 76  VAL A CG2  1 
ATOM   1063 H H    A VAL A 1 60  ? 22.751  -3.706  -11.534 0.48 11.32  ? 76  VAL A H    1 
ATOM   1064 H H    B VAL A 1 60  ? 22.617  -3.798  -11.505 0.52 11.16  ? 76  VAL A H    1 
ATOM   1065 H HA   A VAL A 1 60  ? 23.640  -1.685  -9.988  0.48 12.36  ? 76  VAL A HA   1 
ATOM   1066 H HA   B VAL A 1 60  ? 23.648  -1.659  -10.216 0.52 11.62  ? 76  VAL A HA   1 
ATOM   1067 H HB   A VAL A 1 60  ? 22.515  -1.665  -12.565 0.48 15.63  ? 76  VAL A HB   1 
ATOM   1068 H HB   B VAL A 1 60  ? 22.866  -0.228  -11.798 0.52 14.88  ? 76  VAL A HB   1 
ATOM   1069 H HG11 A VAL A 1 60  ? 21.687  0.357   -11.686 0.48 11.07  ? 76  VAL A HG11 1 
ATOM   1070 H HG11 B VAL A 1 60  ? 24.722  -1.425  -12.648 0.52 16.61  ? 76  VAL A HG11 1 
ATOM   1071 H HG12 A VAL A 1 60  ? 22.754  0.621   -12.834 0.48 11.07  ? 76  VAL A HG12 1 
ATOM   1072 H HG12 B VAL A 1 60  ? 23.741  -1.024  -13.832 0.52 16.61  ? 76  VAL A HG12 1 
ATOM   1073 H HG13 A VAL A 1 60  ? 23.171  0.783   -11.309 0.48 11.07  ? 76  VAL A HG13 1 
ATOM   1074 H HG13 B VAL A 1 60  ? 23.735  -2.507  -13.262 0.52 16.61  ? 76  VAL A HG13 1 
ATOM   1075 H HG21 A VAL A 1 60  ? 25.044  -0.839  -11.657 0.48 15.76  ? 76  VAL A HG21 1 
ATOM   1076 H HG21 B VAL A 1 60  ? 21.571  -2.284  -12.862 0.52 15.34  ? 76  VAL A HG21 1 
ATOM   1077 H HG22 A VAL A 1 60  ? 24.572  -0.737  -13.171 0.48 15.76  ? 76  VAL A HG22 1 
ATOM   1078 H HG22 B VAL A 1 60  ? 21.631  -0.794  -13.410 0.52 15.34  ? 76  VAL A HG22 1 
ATOM   1079 H HG23 A VAL A 1 60  ? 24.752  -2.161  -12.488 0.48 15.76  ? 76  VAL A HG23 1 
ATOM   1080 H HG23 B VAL A 1 60  ? 20.924  -1.102  -12.021 0.52 15.34  ? 76  VAL A HG23 1 
ATOM   1081 N N    . GLN A 1 61  ? 20.923  -2.962  -9.582  1.00 8.88   ? 77  GLN A N    1 
ATOM   1082 C CA   . GLN A 1 61  ? 19.765  -2.949  -8.747  1.00 8.73   ? 77  GLN A CA   1 
ATOM   1083 C C    . GLN A 1 61  ? 20.148  -2.623  -7.300  1.00 8.87   ? 77  GLN A C    1 
ATOM   1084 O O    . GLN A 1 61  ? 21.174  -3.106  -6.797  1.00 10.38  ? 77  GLN A O    1 
ATOM   1085 C CB   . GLN A 1 61  ? 19.118  -4.338  -8.812  1.00 8.99   ? 77  GLN A CB   1 
ATOM   1086 C CG   . GLN A 1 61  ? 17.905  -4.504  -7.879  1.00 8.85   ? 77  GLN A CG   1 
ATOM   1087 C CD   . GLN A 1 61  ? 17.319  -5.903  -8.063  1.00 8.81   ? 77  GLN A CD   1 
ATOM   1088 O OE1  . GLN A 1 61  ? 17.951  -6.912  -7.696  1.00 10.53  ? 77  GLN A OE1  1 
ATOM   1089 N NE2  . GLN A 1 61  ? 16.097  -5.981  -8.582  1.00 9.10   ? 77  GLN A NE2  1 
ATOM   1090 H H    . GLN A 1 61  ? 21.092  -3.734  -9.923  1.00 10.66  ? 77  GLN A H    1 
ATOM   1091 H HA   . GLN A 1 61  ? 19.131  -2.287  -9.065  1.00 10.48  ? 77  GLN A HA   1 
ATOM   1092 H HB2  . GLN A 1 61  ? 18.817  -4.501  -9.720  1.00 10.79  ? 77  GLN A HB2  1 
ATOM   1093 H HB3  . GLN A 1 61  ? 19.778  -5.003  -8.561  1.00 10.79  ? 77  GLN A HB3  1 
ATOM   1094 H HG2  . GLN A 1 61  ? 18.186  -4.403  -6.956  1.00 10.62  ? 77  GLN A HG2  1 
ATOM   1095 H HG3  . GLN A 1 61  ? 17.226  -3.849  -8.105  1.00 10.62  ? 77  GLN A HG3  1 
ATOM   1096 H HE21 . GLN A 1 61  ? 15.729  -6.749  -8.703  0.00 10.92  ? 77  GLN A HE21 1 
ATOM   1097 H HE22 . GLN A 1 61  ? 15.674  -5.263  -8.797  0.00 10.92  ? 77  GLN A HE22 1 
ATOM   1098 N N    . HIS A 1 62  ? 19.346  -1.823  -6.631  1.00 8.64   ? 78  HIS A N    1 
ATOM   1099 C CA   . HIS A 1 62  ? 19.599  -1.513  -5.218  1.00 9.10   ? 78  HIS A CA   1 
ATOM   1100 C C    . HIS A 1 62  ? 19.549  -2.800  -4.401  0.94 9.13   ? 78  HIS A C    1 
ATOM   1101 O O    . HIS A 1 62  ? 18.701  -3.663  -4.625  0.93 9.50   ? 78  HIS A O    1 
ATOM   1102 C CB   . HIS A 1 62  ? 18.555  -0.485  -4.740  1.00 9.56   ? 78  HIS A CB   1 
ATOM   1103 C CG   . HIS A 1 62  ? 18.853  0.074   -3.418  1.00 10.91  ? 78  HIS A CG   1 
ATOM   1104 N ND1  . HIS A 1 62  ? 18.476  -0.541  -2.223  1.00 12.32  ? 78  HIS A ND1  1 
ATOM   1105 C CD2  . HIS A 1 62  ? 19.503  1.216   -3.082  1.00 12.42  ? 78  HIS A CD2  1 
ATOM   1106 C CE1  . HIS A 1 62  ? 18.897  0.237   -1.232  0.95 13.27  ? 78  HIS A CE1  1 
ATOM   1107 N NE2  . HIS A 1 62  ? 19.507  1.300   -1.718  1.00 13.23  ? 78  HIS A NE2  1 
ATOM   1108 H H    . HIS A 1 62  ? 18.648  -1.442  -6.959  1.00 10.37  ? 78  HIS A H    1 
ATOM   1109 H HA   . HIS A 1 62  ? 20.482  -1.122  -5.124  1.00 10.91  ? 78  HIS A HA   1 
ATOM   1110 H HB2  . HIS A 1 62  ? 18.524  0.248   -5.374  1.00 11.48  ? 78  HIS A HB2  1 
ATOM   1111 H HB3  . HIS A 1 62  ? 17.688  -0.917  -4.692  1.00 11.48  ? 78  HIS A HB3  1 
ATOM   1112 H HD2  . HIS A 1 62  ? 19.864  1.837   -3.673  0.87 14.90  ? 78  HIS A HD2  1 
ATOM   1113 H HE1  . HIS A 1 62  ? 18.776  0.059   -0.327  0.77 15.92  ? 78  HIS A HE1  1 
ATOM   1114 H HE2  . HIS A 1 62  ? 19.864  1.930   -1.254  0.00 15.88  ? 78  HIS A HE2  1 
ATOM   1115 N N    . SER A 1 63  ? 20.428  -2.897  -3.410  0.91 10.29  ? 79  SER A N    1 
ATOM   1116 C CA   . SER A 1 63  ? 20.563  -4.134  -2.657  0.96 12.45  ? 79  SER A CA   1 
ATOM   1117 C C    . SER A 1 63  ? 19.292  -4.525  -1.921  1.00 11.73  ? 79  SER A C    1 
ATOM   1118 O O    . SER A 1 63  ? 19.075  -5.718  -1.659  0.91 12.82  ? 79  SER A O    1 
ATOM   1119 C CB   . SER A 1 63  ? 21.714  -3.997  -1.645  0.80 14.31  ? 79  SER A CB   1 
ATOM   1120 O OG   . SER A 1 63  ? 21.460  -2.954  -0.751  0.79 16.67  ? 79  SER A OG   1 
ATOM   1121 H H    . SER A 1 63  ? 20.954  -2.266  -3.156  0.93 12.35  ? 79  SER A H    1 
ATOM   1122 H HA   . SER A 1 63  ? 20.786  -4.852  -3.269  0.92 14.94  ? 79  SER A HA   1 
ATOM   1123 H HB2  . SER A 1 63  ? 21.799  -4.825  -1.148  0.88 17.17  ? 79  SER A HB2  1 
ATOM   1124 H HB3  . SER A 1 63  ? 22.536  -3.810  -2.124  0.79 17.17  ? 79  SER A HB3  1 
ATOM   1125 H HG   . SER A 1 63  ? 22.092  -2.885  -0.203  0.00 20.01  ? 79  SER A HG   1 
ATOM   1126 N N    . SER A 1 64  ? 18.458  -3.554  -1.570  1.00 12.00  ? 80  SER A N    1 
ATOM   1127 C CA   . SER A 1 64  ? 17.216  -3.891  -0.868  0.91 11.83  ? 80  SER A CA   1 
ATOM   1128 C C    . SER A 1 64  ? 16.269  -4.742  -1.697  1.00 12.16  ? 80  SER A C    1 
ATOM   1129 O O    . SER A 1 64  ? 15.349  -5.330  -1.134  0.96 13.86  ? 80  SER A O    1 
ATOM   1130 C CB   . SER A 1 64  ? 16.524  -2.641  -0.427  0.85 12.42  ? 80  SER A CB   1 
ATOM   1131 O OG   . SER A 1 64  ? 16.120  -1.892  -1.512  1.00 14.01  ? 80  SER A OG   1 
ATOM   1132 H H    . SER A 1 64  ? 18.578  -2.715  -1.719  0.98 14.40  ? 80  SER A H    1 
ATOM   1133 H HA   . SER A 1 64  ? 17.441  -4.397  -0.071  0.86 14.20  ? 80  SER A HA   1 
ATOM   1134 H HB2  . SER A 1 64  ? 15.745  -2.880  0.099   0.83 14.91  ? 80  SER A HB2  1 
ATOM   1135 H HB3  . SER A 1 64  ? 17.137  -2.114  0.109   0.85 14.91  ? 80  SER A HB3  1 
ATOM   1136 H HG   . SER A 1 64  ? 15.733  -1.193  -1.250  0.00 16.81  ? 80  SER A HG   1 
ATOM   1137 N N    . TYR A 1 65  ? 16.455  -4.773  -3.010  1.00 10.44  ? 81  TYR A N    1 
ATOM   1138 C CA   . TYR A 1 65  ? 15.610  -5.504  -3.929  0.96 10.40  ? 81  TYR A CA   1 
ATOM   1139 C C    . TYR A 1 65  ? 16.179  -6.856  -4.361  1.00 11.24  ? 81  TYR A C    1 
ATOM   1140 O O    . TYR A 1 65  ? 15.542  -7.535  -5.156  0.95 10.81  ? 81  TYR A O    1 
ATOM   1141 C CB   . TYR A 1 65  ? 15.236  -4.695  -5.160  0.91 9.83   ? 81  TYR A CB   1 
ATOM   1142 C CG   . TYR A 1 65  ? 14.536  -3.408  -4.780  1.00 9.83   ? 81  TYR A CG   1 
ATOM   1143 C CD1  . TYR A 1 65  ? 13.313  -3.420  -4.151  0.91 9.87   ? 81  TYR A CD1  1 
ATOM   1144 C CD2  . TYR A 1 65  ? 15.110  -2.185  -5.042  0.85 8.93   ? 81  TYR A CD2  1 
ATOM   1145 C CE1  . TYR A 1 65  ? 12.675  -2.262  -3.775  0.82 9.30   ? 81  TYR A CE1  1 
ATOM   1146 C CE2  . TYR A 1 65  ? 14.503  -1.015  -4.690  0.73 8.36   ? 81  TYR A CE2  1 
ATOM   1147 C CZ   . TYR A 1 65  ? 13.260  -1.047  -4.035  0.91 8.98   ? 81  TYR A CZ   1 
ATOM   1148 O OH   . TYR A 1 65  ? 12.685  0.147   -3.715  0.89 10.94  ? 81  TYR A OH   1 
ATOM   1149 H H    . TYR A 1 65  ? 17.096  -4.356  -3.404  0.98 12.53  ? 81  TYR A H    1 
ATOM   1150 H HA   . TYR A 1 65  ? 14.779  -5.694  -3.465  0.97 12.48  ? 81  TYR A HA   1 
ATOM   1151 H HB2  . TYR A 1 65  ? 16.041  -4.470  -5.652  0.97 11.79  ? 81  TYR A HB2  1 
ATOM   1152 H HB3  . TYR A 1 65  ? 14.636  -5.216  -5.716  0.98 11.79  ? 81  TYR A HB3  1 
ATOM   1153 H HD1  . TYR A 1 65  ? 12.913  -4.237  -3.958  0.90 11.84  ? 81  TYR A HD1  1 
ATOM   1154 H HD2  . TYR A 1 65  ? 15.938  -2.155  -5.464  0.84 10.71  ? 81  TYR A HD2  1 
ATOM   1155 H HE1  . TYR A 1 65  ? 11.848  -2.300  -3.351  0.78 11.17  ? 81  TYR A HE1  1 
ATOM   1156 H HE2  . TYR A 1 65  ? 14.912  -0.202  -4.877  0.79 10.04  ? 81  TYR A HE2  1 
ATOM   1157 H HH   . TYR A 1 65  ? 13.186  0.779   -3.948  0.00 13.12  ? 81  TYR A HH   1 
ATOM   1158 N N    . ARG A 1 66  ? 17.347  -7.249  -3.859  1.00 12.84  ? 82  ARG A N    1 
ATOM   1159 C CA   . ARG A 1 66  ? 17.968  -8.481  -4.310  1.00 14.98  ? 82  ARG A CA   1 
ATOM   1160 C C    . ARG A 1 66  ? 17.031  -9.628  -4.029  1.00 13.72  ? 82  ARG A C    1 
ATOM   1161 O O    . ARG A 1 66  ? 16.580  -9.835  -2.897  1.00 15.31  ? 82  ARG A O    1 
ATOM   1162 C CB   . ARG A 1 66  ? 19.301  -8.695  -3.597  1.00 19.76  ? 82  ARG A CB   1 
ATOM   1163 C CG   . ARG A 1 66  ? 20.004  -9.944  -4.079  1.00 24.56  ? 82  ARG A CG   1 
ATOM   1164 C CD   . ARG A 1 66  ? 21.309  -10.267 -3.266  1.00 28.27  ? 82  ARG A CD   1 
ATOM   1165 N NE   . ARG A 1 66  ? 21.844  -11.575 -3.666  1.00 31.71  ? 82  ARG A NE   1 
ATOM   1166 H H    . ARG A 1 66  ? 17.794  -6.823  -3.260  1.00 15.41  ? 82  ARG A H    1 
ATOM   1167 H HA   . ARG A 1 66  ? 18.129  -8.436  -5.266  1.00 17.97  ? 82  ARG A HA   1 
ATOM   1168 H HB2  . ARG A 1 66  ? 19.880  -7.936  -3.769  1.00 23.71  ? 82  ARG A HB2  1 
ATOM   1169 H HB3  . ARG A 1 66  ? 19.142  -8.785  -2.644  1.00 23.71  ? 82  ARG A HB3  1 
ATOM   1170 H HG2  . ARG A 1 66  ? 19.402  -10.699 -3.990  1.00 29.47  ? 82  ARG A HG2  1 
ATOM   1171 H HG3  . ARG A 1 66  ? 20.253  -9.826  -5.010  1.00 29.47  ? 82  ARG A HG3  1 
ATOM   1172 H HD2  . ARG A 1 66  ? 21.980  -9.590  -3.448  1.00 33.92  ? 82  ARG A HD2  1 
ATOM   1173 H HD3  . ARG A 1 66  ? 21.102  -10.295 -2.319  1.00 33.92  ? 82  ARG A HD3  1 
ATOM   1174 H HE   . ARG A 1 66  ? 22.375  -11.603 -4.343  1.00 38.05  ? 82  ARG A HE   1 
ATOM   1175 N N    . GLN A 1 67  ? 16.812  -10.433 -5.045  1.00 13.31  ? 83  GLN A N    1 
ATOM   1176 C CA   . GLN A 1 67  ? 15.935  -11.599 -4.951  1.00 14.99  ? 83  GLN A CA   1 
ATOM   1177 C C    . GLN A 1 67  ? 14.492  -11.230 -4.655  1.00 14.04  ? 83  GLN A C    1 
ATOM   1178 O O    . GLN A 1 67  ? 13.694  -12.134 -4.334  0.68 15.05  ? 83  GLN A O    1 
ATOM   1179 C CB   . GLN A 1 67  ? 16.432  -12.640 -3.940  1.00 19.88  ? 83  GLN A CB   1 
ATOM   1180 C CG   . GLN A 1 67  ? 17.826  -13.155 -4.297  0.78 22.52  ? 83  GLN A CG   1 
ATOM   1181 C CD   . GLN A 1 67  ? 17.828  -14.277 -5.354  0.77 25.07  ? 83  GLN A CD   1 
ATOM   1182 O OE1  . GLN A 1 67  ? 17.830  -14.031 -6.542  0.25 26.20  ? 83  GLN A OE1  1 
ATOM   1183 N NE2  . GLN A 1 67  ? 17.783  -15.540 -4.866  0.64 24.81  ? 83  GLN A NE2  1 
ATOM   1184 H H    . GLN A 1 67  ? 17.164  -10.330 -5.822  1.00 15.97  ? 83  GLN A H    1 
ATOM   1185 H HA   . GLN A 1 67  ? 15.937  -12.034 -5.818  1.00 17.99  ? 83  GLN A HA   1 
ATOM   1186 H HB2  . GLN A 1 67  ? 16.474  -12.235 -3.060  1.00 23.85  ? 83  GLN A HB2  1 
ATOM   1187 H HB3  . GLN A 1 67  ? 15.823  -13.394 -3.934  1.00 23.85  ? 83  GLN A HB3  1 
ATOM   1188 H HG2  . GLN A 1 67  ? 18.351  -12.418 -4.647  0.72 27.03  ? 83  GLN A HG2  1 
ATOM   1189 H HG3  . GLN A 1 67  ? 18.245  -13.503 -3.495  0.68 27.03  ? 83  GLN A HG3  1 
ATOM   1190 H HE21 . GLN A 1 67  ? 17.782  -16.209 -5.405  0.00 29.77  ? 83  GLN A HE21 1 
ATOM   1191 H HE22 . GLN A 1 67  ? 17.757  -15.672 -4.016  0.00 29.77  ? 83  GLN A HE22 1 
ATOM   1192 N N    A ARG A 1 68  ? 14.101  -10.003 -4.797  0.38 12.97  ? 84  ARG A N    1 
ATOM   1193 N N    B ARG A 1 68  ? 14.089  -9.949  -4.785  0.62 11.14  ? 84  ARG A N    1 
ATOM   1194 C CA   A ARG A 1 68  ? 12.704  -9.749  -4.515  0.38 13.12  ? 84  ARG A CA   1 
ATOM   1195 C CA   B ARG A 1 68  ? 12.747  -9.469  -4.450  0.62 11.02  ? 84  ARG A CA   1 
ATOM   1196 C C    A ARG A 1 68  ? 12.100  -8.650  -5.387  0.38 11.79  ? 84  ARG A C    1 
ATOM   1197 C C    B ARG A 1 68  ? 12.046  -8.818  -5.617  0.62 10.27  ? 84  ARG A C    1 
ATOM   1198 O O    A ARG A 1 68  ? 10.999  -8.213  -5.028  0.38 11.66  ? 84  ARG A O    1 
ATOM   1199 O O    B ARG A 1 68  ? 10.824  -8.951  -5.755  0.62 11.00  ? 84  ARG A O    1 
ATOM   1200 C CB   A ARG A 1 68  ? 12.455  -9.476  -3.017  0.38 14.37  ? 84  ARG A CB   1 
ATOM   1201 C CB   B ARG A 1 68  ? 12.737  -8.419  -3.304  0.62 12.01  ? 84  ARG A CB   1 
ATOM   1202 C CG   A ARG A 1 68  ? 13.149  -8.289  -2.492  0.38 15.90  ? 84  ARG A CG   1 
ATOM   1203 C CG   B ARG A 1 68  ? 13.018  -9.070  -1.915  0.62 12.88  ? 84  ARG A CG   1 
ATOM   1204 C CD   A ARG A 1 68  ? 12.530  -7.893  -1.120  0.38 16.82  ? 84  ARG A CD   1 
ATOM   1205 C CD   B ARG A 1 68  ? 13.090  -8.045  -0.918  0.62 12.43  ? 84  ARG A CD   1 
ATOM   1206 N NE   A ARG A 1 68  ? 12.642  -6.452  -1.010  0.38 16.08  ? 84  ARG A NE   1 
ATOM   1207 N NE   B ARG A 1 68  ? 11.783  -7.457  -0.703  0.62 11.90  ? 84  ARG A NE   1 
ATOM   1208 C CZ   A ARG A 1 68  ? 11.653  -5.598  -0.795  0.38 15.81  ? 84  ARG A CZ   1 
ATOM   1209 C CZ   B ARG A 1 68  ? 11.542  -6.138  -0.574  0.62 10.84  ? 84  ARG A CZ   1 
ATOM   1210 N NH1  A ARG A 1 68  ? 11.936  -4.297  -0.764  0.38 15.60  ? 84  ARG A NH1  1 
ATOM   1211 N NH1  B ARG A 1 68  ? 10.323  -5.739  -0.302  0.62 9.87   ? 84  ARG A NH1  1 
ATOM   1212 N NH2  A ARG A 1 68  ? 10.416  -6.031  -0.567  0.38 16.32  ? 84  ARG A NH2  1 
ATOM   1213 N NH2  B ARG A 1 68  ? 12.463  -5.204  -0.732  0.62 12.83  ? 84  ARG A NH2  1 
ATOM   1214 H H    A ARG A 1 68  ? 14.579  -9.329  -5.039  0.38 15.56  ? 84  ARG A H    1 
ATOM   1215 H H    B ARG A 1 68  ? 14.602  -9.324  -5.078  0.62 13.37  ? 84  ARG A H    1 
ATOM   1216 H HA   A ARG A 1 68  ? 12.217  -10.561 -4.727  0.38 15.75  ? 84  ARG A HA   1 
ATOM   1217 H HA   B ARG A 1 68  ? 12.209  -10.224 -4.164  0.62 13.23  ? 84  ARG A HA   1 
ATOM   1218 H HB2  A ARG A 1 68  ? 11.504  -9.346  -2.878  0.38 17.24  ? 84  ARG A HB2  1 
ATOM   1219 H HB2  B ARG A 1 68  ? 13.426  -7.757  -3.473  0.62 14.41  ? 84  ARG A HB2  1 
ATOM   1220 H HB3  A ARG A 1 68  ? 12.758  -10.243 -2.507  0.38 17.24  ? 84  ARG A HB3  1 
ATOM   1221 H HB3  B ARG A 1 68  ? 11.866  -7.994  -3.268  0.62 14.41  ? 84  ARG A HB3  1 
ATOM   1222 H HG2  A ARG A 1 68  ? 14.089  -8.490  -2.362  0.38 19.08  ? 84  ARG A HG2  1 
ATOM   1223 H HG2  B ARG A 1 68  ? 12.297  -9.677  -1.686  0.62 15.46  ? 84  ARG A HG2  1 
ATOM   1224 H HG3  A ARG A 1 68  ? 13.040  -7.547  -3.107  0.38 19.08  ? 84  ARG A HG3  1 
ATOM   1225 H HG3  B ARG A 1 68  ? 13.867  -9.540  -1.939  0.62 15.46  ? 84  ARG A HG3  1 
ATOM   1226 H HD2  A ARG A 1 68  ? 11.593  -8.143  -1.091  0.38 20.18  ? 84  ARG A HD2  1 
ATOM   1227 H HD2  B ARG A 1 68  ? 13.397  -8.428  -0.082  0.62 14.91  ? 84  ARG A HD2  1 
ATOM   1228 H HD3  A ARG A 1 68  ? 13.026  -8.307  -0.397  0.38 20.18  ? 84  ARG A HD3  1 
ATOM   1229 H HD3  B ARG A 1 68  ? 13.696  -7.348  -1.215  0.62 14.91  ? 84  ARG A HD3  1 
ATOM   1230 H HE   A ARG A 1 68  ? 13.430  -6.118  -1.092  0.38 19.30  ? 84  ARG A HE   1 
ATOM   1231 H HE   B ARG A 1 68  ? 11.110  -7.990  -0.656  0.62 14.28  ? 84  ARG A HE   1 
ATOM   1232 H HH11 A ARG A 1 68  ? 12.743  -4.029  -0.896  0.38 18.72  ? 84  ARG A HH11 1 
ATOM   1233 H HH11 B ARG A 1 68  ? 9.692   -6.317  -0.216  0.62 11.85  ? 84  ARG A HH11 1 
ATOM   1234 H HH12 A ARG A 1 68  ? 11.315  -3.725  -0.599  0.38 18.72  ? 84  ARG A HH12 1 
ATOM   1235 H HH12 B ARG A 1 68  ? 10.146  -4.899  -0.257  0.62 11.85  ? 84  ARG A HH12 1 
ATOM   1236 H HH21 A ARG A 1 68  ? 10.243  -6.873  -0.595  0.38 19.58  ? 84  ARG A HH21 1 
ATOM   1237 H HH21 B ARG A 1 68  ? 13.278  -5.427  -0.893  0.62 15.39  ? 84  ARG A HH21 1 
ATOM   1238 H HH22 A ARG A 1 68  ? 9.785   -5.467  -0.415  0.38 19.58  ? 84  ARG A HH22 1 
ATOM   1239 H HH22 B ARG A 1 68  ? 12.251  -4.375  -0.654  0.62 15.39  ? 84  ARG A HH22 1 
ATOM   1240 N N    . ALA A 1 69  ? 12.759  -8.115  -6.458  1.00 10.60  ? 85  ALA A N    1 
ATOM   1241 C CA   . ALA A 1 69  ? 12.112  -7.314  -7.506  1.00 9.81   ? 85  ALA A CA   1 
ATOM   1242 C C    . ALA A 1 69  ? 12.555  -7.817  -8.858  1.00 9.51   ? 85  ALA A C    1 
ATOM   1243 O O    . ALA A 1 69  ? 13.754  -8.028  -9.085  0.92 9.89   ? 85  ALA A O    1 
ATOM   1244 C CB   . ALA A 1 69  ? 12.461  -5.849  -7.389  0.92 9.84   ? 85  ALA A CB   1 
ATOM   1245 H H    . ALA A 1 69  ? 13.614  -8.143  -6.529  0.99 12.72  ? 85  ALA A H    1 
ATOM   1246 H HA   . ALA A 1 69  ? 11.149  -7.409  -7.441  1.00 11.77  ? 85  ALA A HA   1 
ATOM   1247 H HB1  . ALA A 1 69  ? 12.165  -5.523  -6.524  0.91 11.81  ? 85  ALA A HB1  1 
ATOM   1248 H HB2  . ALA A 1 69  ? 12.013  -5.361  -8.098  1.00 11.81  ? 85  ALA A HB2  1 
ATOM   1249 H HB3  . ALA A 1 69  ? 13.422  -5.746  -7.471  0.92 11.81  ? 85  ALA A HB3  1 
ATOM   1250 N N    . ARG A 1 70  ? 11.591  -7.988  -9.756  1.00 9.28   ? 86  ARG A N    1 
ATOM   1251 C CA   . ARG A 1 70  ? 11.867  -8.425  -11.133 1.00 10.08  ? 86  ARG A CA   1 
ATOM   1252 C C    . ARG A 1 70  ? 10.758  -7.935  -12.040 1.00 9.26   ? 86  ARG A C    1 
ATOM   1253 O O    . ARG A 1 70  ? 9.664   -7.618  -11.581 1.00 10.67  ? 86  ARG A O    1 
ATOM   1254 C CB   . ARG A 1 70  ? 11.906  -9.980  -11.217 1.00 12.13  ? 86  ARG A CB   1 
ATOM   1255 C CG   . ARG A 1 70  ? 10.554  -10.627 -10.961 1.00 14.07  ? 86  ARG A CG   1 
ATOM   1256 C CD   . ARG A 1 70  ? 10.601  -12.148 -10.969 1.00 21.95  ? 86  ARG A CD   1 
ATOM   1257 N NE   . ARG A 1 70  ? 9.313   -12.740 -10.531 1.00 31.92  ? 86  ARG A NE   1 
ATOM   1258 C CZ   . ARG A 1 70  ? 8.501   -13.511 -11.265 1.00 39.30  ? 86  ARG A CZ   1 
ATOM   1259 N NH1  . ARG A 1 70  ? 8.827   -13.876 -12.499 1.00 42.10  ? 86  ARG A NH1  1 
ATOM   1260 N NH2  . ARG A 1 70  ? 7.358   -13.953 -10.721 1.00 41.06  ? 86  ARG A NH2  1 
ATOM   1261 H H    . ARG A 1 70  ? 10.757  -7.857  -9.596  1.00 11.14  ? 86  ARG A H    1 
ATOM   1262 H HA   . ARG A 1 70  ? 12.714  -8.066  -11.438 1.00 12.10  ? 86  ARG A HA   1 
ATOM   1263 H HB2  . ARG A 1 70  ? 12.199  -10.240 -12.104 1.00 14.56  ? 86  ARG A HB2  1 
ATOM   1264 H HB3  . ARG A 1 70  ? 12.528  -10.315 -10.552 1.00 14.56  ? 86  ARG A HB3  1 
ATOM   1265 H HG2  . ARG A 1 70  ? 10.230  -10.343 -10.092 1.00 16.89  ? 86  ARG A HG2  1 
ATOM   1266 H HG3  . ARG A 1 70  ? 9.935   -10.344 -11.653 1.00 16.89  ? 86  ARG A HG3  1 
ATOM   1267 H HD2  . ARG A 1 70  ? 10.786  -12.457 -11.870 1.00 26.34  ? 86  ARG A HD2  1 
ATOM   1268 H HD3  . ARG A 1 70  ? 11.296  -12.449 -10.362 1.00 26.34  ? 86  ARG A HD3  1 
ATOM   1269 H HE   . ARG A 1 70  ? 9.063   -12.571 -9.725  1.00 38.30  ? 86  ARG A HE   1 
ATOM   1270 H HH11 . ARG A 1 70  ? 9.559   -13.593 -12.851 1.00 50.52  ? 86  ARG A HH11 1 
ATOM   1271 H HH12 . ARG A 1 70  ? 8.298   -14.379 -12.953 1.00 50.52  ? 86  ARG A HH12 1 
ATOM   1272 H HH21 . ARG A 1 70  ? 7.148   -13.728 -9.918  1.00 49.27  ? 86  ARG A HH21 1 
ATOM   1273 H HH22 . ARG A 1 70  ? 6.834   -14.462 -11.176 1.00 49.27  ? 86  ARG A HH22 1 
ATOM   1274 N N    A LEU A 1 71  ? 11.047  -7.889  -13.332 0.68 8.52   ? 87  LEU A N    1 
ATOM   1275 N N    B LEU A 1 71  ? 11.064  -7.947  -13.323 0.32 10.69  ? 87  LEU A N    1 
ATOM   1276 C CA   A LEU A 1 71  ? 9.990   -7.773  -14.341 0.68 7.68   ? 87  LEU A CA   1 
ATOM   1277 C CA   B LEU A 1 71  ? 10.073  -7.811  -14.376 0.32 11.45  ? 87  LEU A CA   1 
ATOM   1278 C C    A LEU A 1 71  ? 9.453   -9.136  -14.696 0.68 8.62   ? 87  LEU A C    1 
ATOM   1279 C C    B LEU A 1 71  ? 9.468   -9.176  -14.668 0.32 10.80  ? 87  LEU A C    1 
ATOM   1280 O O    A LEU A 1 71  ? 10.191  -10.119 -14.782 0.68 10.38  ? 87  LEU A O    1 
ATOM   1281 O O    B LEU A 1 71  ? 10.159  -10.200 -14.588 0.32 11.15  ? 87  LEU A O    1 
ATOM   1282 C CB   A LEU A 1 71  ? 10.482  -7.157  -15.636 0.68 8.48   ? 87  LEU A CB   1 
ATOM   1283 C CB   B LEU A 1 71  ? 10.780  -7.284  -15.625 0.32 13.89  ? 87  LEU A CB   1 
ATOM   1284 C CG   A LEU A 1 71  ? 10.825  -5.686  -15.570 0.68 8.20   ? 87  LEU A CG   1 
ATOM   1285 C CG   B LEU A 1 71  ? 10.258  -6.178  -16.537 0.32 15.70  ? 87  LEU A CG   1 
ATOM   1286 C CD1  A LEU A 1 71  ? 11.556  -5.232  -16.835 0.68 10.38  ? 87  LEU A CD1  1 
ATOM   1287 C CD1  B LEU A 1 71  ? 9.528   -5.115  -15.791 0.32 16.50  ? 87  LEU A CD1  1 
ATOM   1288 C CD2  A LEU A 1 71  ? 9.505   -4.851  -15.504 0.68 10.75  ? 87  LEU A CD2  1 
ATOM   1289 C CD2  B LEU A 1 71  ? 11.425  -5.553  -17.320 0.32 15.64  ? 87  LEU A CD2  1 
ATOM   1290 H H    A LEU A 1 71  ? 11.843  -7.923  -13.656 0.68 10.23  ? 87  LEU A H    1 
ATOM   1291 H H    B LEU A 1 71  ? 11.866  -8.036  -13.620 0.32 12.82  ? 87  LEU A H    1 
ATOM   1292 H HA   A LEU A 1 71  ? 9.264   -7.232  -13.994 0.68 9.21   ? 87  LEU A HA   1 
ATOM   1293 H HA   B LEU A 1 71  ? 9.374   -7.193  -14.111 0.32 13.74  ? 87  LEU A HA   1 
ATOM   1294 H HB2  A LEU A 1 71  ? 11.281  -7.630  -15.915 0.68 10.17  ? 87  LEU A HB2  1 
ATOM   1295 H HB2  B LEU A 1 71  ? 11.654  -6.982  -15.333 0.32 16.67  ? 87  LEU A HB2  1 
ATOM   1296 H HB3  A LEU A 1 71  ? 9.791   -7.264  -16.308 0.68 10.17  ? 87  LEU A HB3  1 
ATOM   1297 H HB3  B LEU A 1 71  ? 10.910  -8.051  -16.205 0.32 16.67  ? 87  LEU A HB3  1 
ATOM   1298 H HG   A LEU A 1 71  ? 11.371  -5.495  -14.791 0.68 9.83   ? 87  LEU A HG   1 
ATOM   1299 H HG   B LEU A 1 71  ? 9.643   -6.566  -17.179 0.32 18.84  ? 87  LEU A HG   1 
ATOM   1300 H HD11 A LEU A 1 71  ? 12.376  -5.742  -16.926 0.68 12.45  ? 87  LEU A HD11 1 
ATOM   1301 H HD11 B LEU A 1 71  ? 8.770   -5.514  -15.336 0.32 19.80  ? 87  LEU A HD11 1 
ATOM   1302 H HD12 A LEU A 1 71  ? 11.761  -4.287  -16.758 0.68 12.45  ? 87  LEU A HD12 1 
ATOM   1303 H HD12 B LEU A 1 71  ? 9.221   -4.443  -16.419 0.32 19.80  ? 87  LEU A HD12 1 
ATOM   1304 H HD13 A LEU A 1 71  ? 10.984  -5.386  -17.602 0.68 12.45  ? 87  LEU A HD13 1 
ATOM   1305 H HD13 B LEU A 1 71  ? 10.129  -4.715  -15.144 0.32 19.80  ? 87  LEU A HD13 1 
ATOM   1306 H HD21 A LEU A 1 71  ? 8.978   -5.031  -16.299 0.68 12.89  ? 87  LEU A HD21 1 
ATOM   1307 H HD21 B LEU A 1 71  ? 12.064  -5.181  -16.692 0.32 18.77  ? 87  LEU A HD21 1 
ATOM   1308 H HD22 A LEU A 1 71  ? 9.730   -3.909  -15.462 0.68 12.89  ? 87  LEU A HD22 1 
ATOM   1309 H HD22 B LEU A 1 71  ? 11.080  -4.852  -17.895 0.32 18.77  ? 87  LEU A HD22 1 
ATOM   1310 H HD23 A LEU A 1 71  ? 9.008   -5.109  -14.712 0.68 12.89  ? 87  LEU A HD23 1 
ATOM   1311 H HD23 B LEU A 1 71  ? 11.850  -6.241  -17.856 0.32 18.77  ? 87  LEU A HD23 1 
ATOM   1312 N N    . LEU A 1 72  ? 8.160   -9.209  -14.964 1.00 9.70   ? 88  LEU A N    1 
ATOM   1313 C CA   . LEU A 1 72  ? 7.527   -10.408 -15.528 1.00 9.53   ? 88  LEU A CA   1 
ATOM   1314 C C    . LEU A 1 72  ? 7.807   -10.337 -17.027 1.00 9.66   ? 88  LEU A C    1 
ATOM   1315 O O    . LEU A 1 72  ? 7.091   -9.673  -17.790 0.99 10.19  ? 88  LEU A O    1 
ATOM   1316 C CB   . LEU A 1 72  ? 6.038   -10.434 -15.191 1.00 10.83  ? 88  LEU A CB   1 
ATOM   1317 C CG   . LEU A 1 72  ? 5.722   -10.340 -13.675 0.75 11.34  ? 88  LEU A CG   1 
ATOM   1318 C CD1  . LEU A 1 72  ? 4.221   -10.473 -13.479 0.64 11.75  ? 88  LEU A CD1  1 
ATOM   1319 C CD2  . LEU A 1 72  ? 6.472   -11.394 -12.841 0.69 12.10  ? 88  LEU A CD2  1 
ATOM   1320 H H    . LEU A 1 72  ? 7.612   -8.557  -14.838 0.96 11.64  ? 88  LEU A H    1 
ATOM   1321 H HA   . LEU A 1 72  ? 7.946   -11.205 -15.167 1.00 11.44  ? 88  LEU A HA   1 
ATOM   1322 H HB2  . LEU A 1 72  ? 5.607   -9.682  -15.628 1.00 12.99  ? 88  LEU A HB2  1 
ATOM   1323 H HB3  . LEU A 1 72  ? 5.659   -11.264 -15.519 1.00 12.99  ? 88  LEU A HB3  1 
ATOM   1324 H HG   . LEU A 1 72  ? 5.986   -9.464  -13.354 0.77 13.61  ? 88  LEU A HG   1 
ATOM   1325 H HD11 . LEU A 1 72  ? 3.775   -9.756  -13.956 0.58 14.10  ? 88  LEU A HD11 1 
ATOM   1326 H HD12 . LEU A 1 72  ? 4.020   -10.415 -12.531 0.66 14.10  ? 88  LEU A HD12 1 
ATOM   1327 H HD13 . LEU A 1 72  ? 3.932   -11.332 -13.826 0.66 14.10  ? 88  LEU A HD13 1 
ATOM   1328 H HD21 . LEU A 1 72  ? 6.216   -12.278 -13.146 0.66 14.52  ? 88  LEU A HD21 1 
ATOM   1329 H HD22 . LEU A 1 72  ? 6.234   -11.284 -11.906 0.70 14.52  ? 88  LEU A HD22 1 
ATOM   1330 H HD23 . LEU A 1 72  ? 7.426   -11.267 -12.956 0.66 14.52  ? 88  LEU A HD23 1 
ATOM   1331 N N    A LYS A 1 73  ? 8.907   -10.940 -17.466 0.43 9.93   ? 89  LYS A N    1 
ATOM   1332 N N    B LYS A 1 73  ? 8.906   -10.961 -17.453 0.57 11.80  ? 89  LYS A N    1 
ATOM   1333 C CA   A LYS A 1 73  ? 9.435   -10.594 -18.795 0.43 9.85   ? 89  LYS A CA   1 
ATOM   1334 C CA   B LYS A 1 73  ? 9.434   -10.691 -18.798 0.57 14.10  ? 89  LYS A CA   1 
ATOM   1335 C C    A LYS A 1 73  ? 8.579   -11.145 -19.935 0.43 11.08  ? 89  LYS A C    1 
ATOM   1336 C C    B LYS A 1 73  ? 8.449   -11.067 -19.864 0.57 13.17  ? 89  LYS A C    1 
ATOM   1337 O O    A LYS A 1 73  ? 8.547   -10.565 -21.034 0.43 10.49  ? 89  LYS A O    1 
ATOM   1338 O O    B LYS A 1 73  ? 8.300   -10.364 -20.878 0.57 13.04  ? 89  LYS A O    1 
ATOM   1339 C CB   A LYS A 1 73  ? 10.923  -10.945 -18.862 0.43 9.33   ? 89  LYS A CB   1 
ATOM   1340 C CB   B LYS A 1 73  ? 10.754  -11.409 -18.999 0.57 17.86  ? 89  LYS A CB   1 
ATOM   1341 C CG   A LYS A 1 73  ? 11.805  -10.055 -17.983 0.43 8.92   ? 89  LYS A CG   1 
ATOM   1342 C CG   B LYS A 1 73  ? 11.882  -10.710 -18.238 0.57 20.43  ? 89  LYS A CG   1 
ATOM   1343 C CD   A LYS A 1 73  ? 13.196  -10.511 -17.700 0.43 10.65  ? 89  LYS A CD   1 
ATOM   1344 C CD   B LYS A 1 73  ? 12.993  -11.688 -17.940 0.57 23.43  ? 89  LYS A CD   1 
ATOM   1345 C CE   A LYS A 1 73  ? 13.152  -11.672 -16.681 0.43 10.63  ? 89  LYS A CE   1 
ATOM   1346 C CE   B LYS A 1 73  ? 13.781  -11.226 -16.765 0.57 25.36  ? 89  LYS A CE   1 
ATOM   1347 N NZ   A LYS A 1 73  ? 12.700  -11.268 -15.304 0.43 10.93  ? 89  LYS A NZ   1 
ATOM   1348 N NZ   B LYS A 1 73  ? 12.899  -10.838 -15.603 0.57 26.27  ? 89  LYS A NZ   1 
ATOM   1349 H H    A LYS A 1 73  ? 9.357   -11.532 -17.035 0.43 11.91  ? 89  LYS A H    1 
ATOM   1350 H H    B LYS A 1 73  ? 9.358   -11.533 -16.997 0.57 14.16  ? 89  LYS A H    1 
ATOM   1351 H HA   A LYS A 1 73  ? 9.387   -9.629  -18.874 0.43 11.82  ? 89  LYS A HA   1 
ATOM   1352 H HA   B LYS A 1 73  ? 9.603   -9.740  -18.878 0.57 16.92  ? 89  LYS A HA   1 
ATOM   1353 H HB2  A LYS A 1 73  ? 11.042  -11.862 -18.571 0.43 11.20  ? 89  LYS A HB2  1 
ATOM   1354 H HB2  B LYS A 1 73  ? 10.680  -12.318 -18.667 0.57 21.43  ? 89  LYS A HB2  1 
ATOM   1355 H HB3  A LYS A 1 73  ? 11.226  -10.849 -19.779 0.43 11.20  ? 89  LYS A HB3  1 
ATOM   1356 H HB3  B LYS A 1 73  ? 10.978  -11.412 -19.943 0.57 21.43  ? 89  LYS A HB3  1 
ATOM   1357 H HG2  A LYS A 1 73  ? 11.874  -9.187  -18.411 0.43 10.71  ? 89  LYS A HG2  1 
ATOM   1358 H HG2  B LYS A 1 73  ? 12.242  -9.991  -18.780 0.57 24.52  ? 89  LYS A HG2  1 
ATOM   1359 H HG3  A LYS A 1 73  ? 11.363  -9.951  -17.126 0.43 10.71  ? 89  LYS A HG3  1 
ATOM   1360 H HG3  B LYS A 1 73  ? 11.542  -10.365 -17.398 0.57 24.52  ? 89  LYS A HG3  1 
ATOM   1361 H HD2  A LYS A 1 73  ? 13.609  -10.831 -18.518 0.43 12.78  ? 89  LYS A HD2  1 
ATOM   1362 H HD2  B LYS A 1 73  ? 12.614  -12.557 -17.735 0.57 28.11  ? 89  LYS A HD2  1 
ATOM   1363 H HD3  A LYS A 1 73  ? 13.709  -9.782  -17.319 0.43 12.78  ? 89  LYS A HD3  1 
ATOM   1364 H HD3  B LYS A 1 73  ? 13.586  -11.748 -18.705 0.57 28.11  ? 89  LYS A HD3  1 
ATOM   1365 H HE2  A LYS A 1 73  ? 12.537  -12.349 -17.006 0.43 12.76  ? 89  LYS A HE2  1 
ATOM   1366 H HE2  B LYS A 1 73  ? 14.367  -11.943 -16.473 0.57 30.43  ? 89  LYS A HE2  1 
ATOM   1367 H HE3  A LYS A 1 73  ? 14.042  -12.050 -16.601 0.43 12.76  ? 89  LYS A HE3  1 
ATOM   1368 H HE3  B LYS A 1 73  ? 14.305  -10.450 -17.019 0.57 30.43  ? 89  LYS A HE3  1 
ATOM   1369 H HZ1  A LYS A 1 73  ? 12.695  -11.976 -14.766 0.43 13.12  ? 89  LYS A HZ1  1 
ATOM   1370 H HZ1  B LYS A 1 73  ? 12.411  -11.536 -15.345 0.57 31.52  ? 89  LYS A HZ1  1 
ATOM   1371 H HZ2  A LYS A 1 73  ? 11.879  -10.927 -15.342 0.43 13.12  ? 89  LYS A HZ2  1 
ATOM   1372 H HZ2  B LYS A 1 73  ? 12.354  -10.176 -15.843 0.57 31.52  ? 89  LYS A HZ2  1 
ATOM   1373 H HZ3  A LYS A 1 73  ? 13.253  -10.655 -14.971 0.43 13.12  ? 89  LYS A HZ3  1 
ATOM   1374 H HZ3  B LYS A 1 73  ? 13.399  -10.566 -14.919 0.57 31.52  ? 89  LYS A HZ3  1 
ATOM   1375 N N    . ASP A 1 74  ? 7.814   -12.201 -19.704 1.00 12.92  ? 90  ASP A N    1 
ATOM   1376 C CA   . ASP A 1 74  ? 6.864   -12.630 -20.749 1.00 15.52  ? 90  ASP A CA   1 
ATOM   1377 C C    . ASP A 1 74  ? 5.695   -11.649 -20.961 1.00 14.17  ? 90  ASP A C    1 
ATOM   1378 O O    . ASP A 1 74  ? 5.075   -11.659 -22.022 0.87 18.08  ? 90  ASP A O    1 
ATOM   1379 C CB   . ASP A 1 74  ? 6.440   -14.085 -20.510 1.00 21.51  ? 90  ASP A CB   1 
ATOM   1380 C CG   . ASP A 1 74  ? 5.701   -14.304 -19.262 1.00 24.60  ? 90  ASP A CG   1 
ATOM   1381 O OD1  . ASP A 1 74  ? 5.502   -13.411 -18.384 0.96 23.89  ? 90  ASP A OD1  1 
ATOM   1382 O OD2  . ASP A 1 74  ? 5.307   -15.515 -19.158 0.67 26.82  ? 90  ASP A OD2  1 
ATOM   1383 H H    . ASP A 1 74  ? 7.860   -12.702 -19.007 1.00 15.50  ? 90  ASP A H    1 
ATOM   1384 H HA   . ASP A 1 74  ? 7.355   -12.635 -21.586 1.00 18.63  ? 90  ASP A HA   1 
ATOM   1385 H HB2  . ASP A 1 74  ? 5.870   -14.366 -21.243 1.00 25.81  ? 90  ASP A HB2  1 
ATOM   1386 H HB3  . ASP A 1 74  ? 7.235   -14.640 -20.482 1.00 25.81  ? 90  ASP A HB3  1 
ATOM   1387 N N    . GLN A 1 75  ? 5.480   -10.729 -20.076 1.00 11.75  ? 91  GLN A N    1 
ATOM   1388 C CA   . GLN A 1 75  ? 4.466   -9.707  -20.277 0.99 12.16  ? 91  GLN A CA   1 
ATOM   1389 C C    . GLN A 1 75  ? 4.937   -8.592  -21.187 1.00 11.19  ? 91  GLN A C    1 
ATOM   1390 O O    . GLN A 1 75  ? 4.106   -7.874  -21.746 1.00 10.99  ? 91  GLN A O    1 
ATOM   1391 C CB   . GLN A 1 75  ? 4.009   -9.113  -18.906 1.00 12.95  ? 91  GLN A CB   1 
ATOM   1392 C CG   . GLN A 1 75  ? 3.158   -10.040 -18.113 0.87 14.05  ? 91  GLN A CG   1 
ATOM   1393 C CD   . GLN A 1 75  ? 1.768   -10.188 -18.756 0.83 15.13  ? 91  GLN A CD   1 
ATOM   1394 O OE1  . GLN A 1 75  ? 1.063   -9.194  -19.086 0.77 15.75  ? 91  GLN A OE1  1 
ATOM   1395 N NE2  . GLN A 1 75  ? 1.406   -11.419 -19.015 0.96 17.64  ? 91  GLN A NE2  1 
ATOM   1396 H H    . GLN A 1 75  ? 5.907   -10.659 -19.332 1.00 14.10  ? 91  GLN A H    1 
ATOM   1397 H HA   . GLN A 1 75  ? 3.691   -10.117 -20.692 0.97 14.59  ? 91  GLN A HA   1 
ATOM   1398 H HB2  . GLN A 1 75  ? 4.795   -8.904  -18.378 1.00 15.54  ? 91  GLN A HB2  1 
ATOM   1399 H HB3  . GLN A 1 75  ? 3.497   -8.305  -19.069 1.00 15.54  ? 91  GLN A HB3  1 
ATOM   1400 H HG2  . GLN A 1 75  ? 3.577   -10.915 -18.081 0.95 16.86  ? 91  GLN A HG2  1 
ATOM   1401 H HG3  . GLN A 1 75  ? 3.045   -9.687  -17.216 0.85 16.86  ? 91  GLN A HG3  1 
ATOM   1402 H HE21 . GLN A 1 75  ? 0.641   -11.575 -19.375 0.00 21.17  ? 91  GLN A HE21 1 
ATOM   1403 H HE22 . GLN A 1 75  ? 1.933   -12.071 -18.826 0.00 21.17  ? 91  GLN A HE22 1 
ATOM   1404 N N    . LEU A 1 76  ? 6.221   -8.416  -21.378 0.96 11.38  ? 92  LEU A N    1 
ATOM   1405 C CA   . LEU A 1 76  ? 6.718   -7.323  -22.199 1.00 11.85  ? 92  LEU A CA   1 
ATOM   1406 C C    . LEU A 1 76  ? 6.234   -7.415  -23.624 1.00 13.86  ? 92  LEU A C    1 
ATOM   1407 O O    . LEU A 1 76  ? 5.958   -6.414  -24.251 1.00 15.19  ? 92  LEU A O    1 
ATOM   1408 C CB   . LEU A 1 76  ? 8.254   -7.279  -22.151 1.00 12.75  ? 92  LEU A CB   1 
ATOM   1409 C CG   . LEU A 1 76  ? 8.856   -6.965  -20.807 0.98 11.64  ? 92  LEU A CG   1 
ATOM   1410 C CD1  . LEU A 1 76  ? 10.338  -7.259  -20.815 0.84 13.05  ? 92  LEU A CD1  1 
ATOM   1411 C CD2  . LEU A 1 76  ? 8.548   -5.513  -20.365 0.93 10.50  ? 92  LEU A CD2  1 
ATOM   1412 H H    . LEU A 1 76  ? 6.837   -8.916  -21.044 0.97 13.65  ? 92  LEU A H    1 
ATOM   1413 H HA   . LEU A 1 76  ? 6.389   -6.487  -21.832 1.00 14.22  ? 92  LEU A HA   1 
ATOM   1414 H HB2  . LEU A 1 76  ? 8.593   -8.146  -22.425 1.00 15.30  ? 92  LEU A HB2  1 
ATOM   1415 H HB3  . LEU A 1 76  ? 8.560   -6.601  -22.772 1.00 15.30  ? 92  LEU A HB3  1 
ATOM   1416 H HG   . LEU A 1 76  ? 8.452   -7.555  -20.151 0.98 13.97  ? 92  LEU A HG   1 
ATOM   1417 H HD11 . LEU A 1 76  ? 10.473  -8.198  -21.015 0.80 15.65  ? 92  LEU A HD11 1 
ATOM   1418 H HD12 . LEU A 1 76  ? 10.706  -7.050  -19.942 0.80 15.65  ? 92  LEU A HD12 1 
ATOM   1419 H HD13 . LEU A 1 76  ? 10.764  -6.711  -21.494 0.84 15.65  ? 92  LEU A HD13 1 
ATOM   1420 H HD21 . LEU A 1 76  ? 8.916   -4.899  -21.020 0.92 12.60  ? 92  LEU A HD21 1 
ATOM   1421 H HD22 . LEU A 1 76  ? 8.954   -5.355  -19.499 0.85 12.60  ? 92  LEU A HD22 1 
ATOM   1422 H HD23 . LEU A 1 76  ? 7.587   -5.398  -20.307 0.92 12.60  ? 92  LEU A HD23 1 
ATOM   1423 N N    A SER A 1 77  ? 6.071   -8.616  -24.193 0.61 16.82  ? 93  SER A N    1 
ATOM   1424 N N    B SER A 1 77  ? 6.072   -8.635  -24.170 0.39 16.92  ? 93  SER A N    1 
ATOM   1425 C CA   A SER A 1 77  ? 5.553   -8.714  -25.587 0.61 18.85  ? 93  SER A CA   1 
ATOM   1426 C CA   B SER A 1 77  ? 5.545   -8.852  -25.532 0.39 18.97  ? 93  SER A CA   1 
ATOM   1427 C C    A SER A 1 77  ? 4.100   -8.373  -25.726 0.61 19.81  ? 93  SER A C    1 
ATOM   1428 C C    B SER A 1 77  ? 4.133   -8.352  -25.708 0.39 19.73  ? 93  SER A C    1 
ATOM   1429 O O    A SER A 1 77  ? 3.608   -8.319  -26.871 0.61 22.24  ? 93  SER A O    1 
ATOM   1430 O O    B SER A 1 77  ? 3.703   -8.064  -26.846 0.39 21.55  ? 93  SER A O    1 
ATOM   1431 C CB   A SER A 1 77  ? 5.770   -10.059 -26.217 0.61 20.22  ? 93  SER A CB   1 
ATOM   1432 C CB   B SER A 1 77  ? 5.592   -10.332 -25.892 0.39 20.75  ? 93  SER A CB   1 
ATOM   1433 O OG   A SER A 1 77  ? 4.919   -10.984 -25.582 0.61 18.98  ? 93  SER A OG   1 
ATOM   1434 O OG   B SER A 1 77  ? 6.726   -10.881 -25.228 0.39 20.95  ? 93  SER A OG   1 
ATOM   1435 H H    A SER A 1 77  ? 6.243   -9.370  -23.816 0.61 20.18  ? 93  SER A H    1 
ATOM   1436 H H    B SER A 1 77  ? 6.264   -9.367  -23.761 0.39 20.30  ? 93  SER A H    1 
ATOM   1437 H HA   A SER A 1 77  ? 6.042   -8.072  -26.125 0.61 22.62  ? 93  SER A HA   1 
ATOM   1438 H HA   B SER A 1 77  ? 6.108   -8.376  -26.163 0.39 22.76  ? 93  SER A HA   1 
ATOM   1439 H HB2  A SER A 1 77  ? 5.552   -10.014 -27.161 0.61 24.27  ? 93  SER A HB2  1 
ATOM   1440 H HB2  B SER A 1 77  ? 4.785   -10.771 -25.582 0.39 24.90  ? 93  SER A HB2  1 
ATOM   1441 H HB3  A SER A 1 77  ? 6.693   -10.330 -26.093 0.61 24.27  ? 93  SER A HB3  1 
ATOM   1442 H HB3  B SER A 1 77  ? 5.693   -10.433 -26.852 0.39 24.90  ? 93  SER A HB3  1 
ATOM   1443 H HG   A SER A 1 77  ? 5.022   -11.747 -25.918 0.61 22.77  ? 93  SER A HG   1 
ATOM   1444 H HG   B SER A 1 77  ? 6.648   -10.782 -24.397 0.39 25.14  ? 93  SER A HG   1 
ATOM   1445 N N    . LEU A 1 78  ? 3.413   -8.271  -24.614 1.00 18.40  ? 94  LEU A N    1 
ATOM   1446 C CA   . LEU A 1 78  ? 2.071   -7.838  -24.599 1.00 18.34  ? 94  LEU A CA   1 
ATOM   1447 C C    . LEU A 1 78  ? 2.014   -6.359  -24.352 1.00 16.32  ? 94  LEU A C    1 
ATOM   1448 O O    . LEU A 1 78  ? 0.937   -5.835  -24.185 0.78 16.50  ? 94  LEU A O    1 
ATOM   1449 C CB   . LEU A 1 78  ? 1.290   -8.601  -23.547 1.00 18.55  ? 94  LEU A CB   1 
ATOM   1450 C CG   . LEU A 1 78  ? 1.323   -10.088 -23.677 0.91 18.99  ? 94  LEU A CG   1 
ATOM   1451 C CD1  . LEU A 1 78  ? 0.511   -10.724 -22.536 0.75 19.54  ? 94  LEU A CD1  1 
ATOM   1452 C CD2  . LEU A 1 78  ? 0.773   -10.505 -25.031 0.78 18.62  ? 94  LEU A CD2  1 
ATOM   1453 H H    . LEU A 1 78  ? 3.717   -8.466  -23.833 1.00 22.08  ? 94  LEU A H    1 
ATOM   1454 H HA   . LEU A 1 78  ? 1.669   -8.016  -25.463 1.00 22.01  ? 94  LEU A HA   1 
ATOM   1455 H HB2  . LEU A 1 78  ? 1.651   -8.378  -22.675 1.00 22.26  ? 94  LEU A HB2  1 
ATOM   1456 H HB3  . LEU A 1 78  ? 0.362   -8.326  -23.594 1.00 22.26  ? 94  LEU A HB3  1 
ATOM   1457 H HG   . LEU A 1 78  ? 2.240   -10.398 -23.610 0.98 22.79  ? 94  LEU A HG   1 
ATOM   1458 H HD11 . LEU A 1 78  ? 0.901   -10.462 -21.687 0.79 23.45  ? 94  LEU A HD11 1 
ATOM   1459 H HD12 . LEU A 1 78  ? 0.538   -11.689 -22.629 0.79 23.45  ? 94  LEU A HD12 1 
ATOM   1460 H HD13 . LEU A 1 78  ? -0.406  -10.412 -22.590 0.79 23.45  ? 94  LEU A HD13 1 
ATOM   1461 H HD21 . LEU A 1 78  ? -0.142  -10.194 -25.109 0.81 22.34  ? 94  LEU A HD21 1 
ATOM   1462 H HD22 . LEU A 1 78  ? 0.801   -11.472 -25.098 0.85 22.34  ? 94  LEU A HD22 1 
ATOM   1463 H HD23 . LEU A 1 78  ? 1.318   -10.108 -25.728 0.80 22.34  ? 94  LEU A HD23 1 
ATOM   1464 N N    . GLY A 1 79  ? 3.153   -5.669  -24.288 1.00 12.80  ? 95  GLY A N    1 
ATOM   1465 C CA   . GLY A 1 79  ? 3.137   -4.262  -23.961 1.00 11.36  ? 95  GLY A CA   1 
ATOM   1466 C C    . GLY A 1 79  ? 2.886   -3.967  -22.520 1.00 9.63   ? 95  GLY A C    1 
ATOM   1467 O O    . GLY A 1 79  ? 2.373   -2.908  -22.195 1.00 11.00  ? 95  GLY A O    1 
ATOM   1468 H H    . GLY A 1 79  ? 3.936   -5.995  -24.430 1.00 15.36  ? 95  GLY A H    1 
ATOM   1469 H HA2  . GLY A 1 79  ? 3.991   -3.871  -24.204 1.00 13.63  ? 95  GLY A HA2  1 
ATOM   1470 H HA3  . GLY A 1 79  ? 2.445   -3.824  -24.482 1.00 13.63  ? 95  GLY A HA3  1 
ATOM   1471 N N    . ASN A 1 80  ? 3.265   -4.847  -21.612 0.98 9.35   ? 96  ASN A N    1 
ATOM   1472 C CA   . ASN A 1 80  ? 3.032   -4.663  -20.179 0.99 8.80   ? 96  ASN A CA   1 
ATOM   1473 C C    . ASN A 1 80  ? 4.380   -4.785  -19.458 1.00 8.38   ? 96  ASN A C    1 
ATOM   1474 O O    . ASN A 1 80  ? 5.008   -5.849  -19.498 1.00 9.29   ? 96  ASN A O    1 
ATOM   1475 C CB   . ASN A 1 80  ? 2.062   -5.706  -19.683 1.00 9.90   ? 96  ASN A CB   1 
ATOM   1476 C CG   . ASN A 1 80  ? 1.686   -5.563  -18.245 1.00 10.84  ? 96  ASN A CG   1 
ATOM   1477 O OD1  . ASN A 1 80  ? 1.909   -4.518  -17.610 0.78 10.51  ? 96  ASN A OD1  1 
ATOM   1478 N ND2  . ASN A 1 80  ? 1.192   -6.650  -17.664 0.87 11.31  ? 96  ASN A ND2  1 
ATOM   1479 H H    . ASN A 1 80  ? 3.671   -5.582  -21.800 0.98 11.22  ? 96  ASN A H    1 
ATOM   1480 H HA   . ASN A 1 80  ? 2.663   -3.782  -20.013 0.97 10.56  ? 96  ASN A HA   1 
ATOM   1481 H HB2  . ASN A 1 80  ? 1.248   -5.648  -20.207 1.00 11.88  ? 96  ASN A HB2  1 
ATOM   1482 H HB3  . ASN A 1 80  ? 2.462   -6.582  -19.797 1.00 11.88  ? 96  ASN A HB3  1 
ATOM   1483 H HD21 . ASN A 1 80  ? 0.958   -6.627  -16.836 0.00 13.57  ? 96  ASN A HD21 1 
ATOM   1484 H HD22 . ASN A 1 80  ? 1.106   -7.378  -18.115 0.00 13.57  ? 96  ASN A HD22 1 
ATOM   1485 N N    . ALA A 1 81  ? 4.806   -3.682  -18.841 0.92 7.36   ? 97  ALA A N    1 
ATOM   1486 C CA   . ALA A 1 81  ? 5.956   -3.657  -17.956 0.87 7.26   ? 97  ALA A CA   1 
ATOM   1487 C C    . ALA A 1 81  ? 5.422   -3.867  -16.537 0.87 6.88   ? 97  ALA A C    1 
ATOM   1488 O O    . ALA A 1 81  ? 4.828   -2.950  -15.940 0.89 7.98   ? 97  ALA A O    1 
ATOM   1489 C CB   . ALA A 1 81  ? 6.701   -2.328  -18.083 0.79 7.47   ? 97  ALA A CB   1 
ATOM   1490 H H    . ALA A 1 81  ? 4.428   -2.914  -18.927 0.92 8.83   ? 97  ALA A H    1 
ATOM   1491 H HA   . ALA A 1 81  ? 6.562   -4.381  -18.177 0.87 8.72   ? 97  ALA A HA   1 
ATOM   1492 H HB1  . ALA A 1 81  ? 7.000   -2.220  -18.999 0.83 8.96   ? 97  ALA A HB1  1 
ATOM   1493 H HB2  . ALA A 1 81  ? 7.463   -2.335  -17.483 0.79 8.96   ? 97  ALA A HB2  1 
ATOM   1494 H HB3  . ALA A 1 81  ? 6.099   -1.605  -17.844 0.73 8.96   ? 97  ALA A HB3  1 
ATOM   1495 N N    . ALA A 1 82  ? 5.538   -5.095  -16.052 0.97 7.37   ? 98  ALA A N    1 
ATOM   1496 C CA   . ALA A 1 82  ? 4.937   -5.532  -14.819 0.99 7.63   ? 98  ALA A CA   1 
ATOM   1497 C C    . ALA A 1 82  ? 6.066   -5.807  -13.828 0.88 7.09   ? 98  ALA A C    1 
ATOM   1498 O O    . ALA A 1 82  ? 6.850   -6.762  -14.002 0.89 8.11   ? 98  ALA A O    1 
ATOM   1499 C CB   . ALA A 1 82  ? 4.110   -6.773  -15.046 1.00 8.91   ? 98  ALA A CB   1 
ATOM   1500 H H    . ALA A 1 82  ? 5.984   -5.716  -16.446 0.99 8.84   ? 98  ALA A H    1 
ATOM   1501 H HA   . ALA A 1 82  ? 4.366   -4.833  -14.462 1.00 9.15   ? 98  ALA A HA   1 
ATOM   1502 H HB1  . ALA A 1 82  ? 3.412   -6.574  -15.689 1.00 10.69  ? 98  ALA A HB1  1 
ATOM   1503 H HB2  . ALA A 1 82  ? 3.717   -7.048  -14.203 1.00 10.69  ? 98  ALA A HB2  1 
ATOM   1504 H HB3  . ALA A 1 82  ? 4.685   -7.476  -15.388 1.00 10.69  ? 98  ALA A HB3  1 
ATOM   1505 N N    . LEU A 1 83  ? 6.148   -4.955  -12.810 0.88 6.93   ? 99  LEU A N    1 
ATOM   1506 C CA   . LEU A 1 83  ? 7.154   -5.063  -11.738 0.88 6.75   ? 99  LEU A CA   1 
ATOM   1507 C C    . LEU A 1 83  ? 6.555   -5.832  -10.589 0.88 6.87   ? 99  LEU A C    1 
ATOM   1508 O O    . LEU A 1 83  ? 5.561   -5.388  -9.998  0.88 7.30   ? 99  LEU A O    1 
ATOM   1509 C CB   . LEU A 1 83  ? 7.548   -3.663  -11.271 0.88 7.53   ? 99  LEU A CB   1 
ATOM   1510 C CG   . LEU A 1 83  ? 8.403   -3.605  -10.017 0.88 8.38   ? 99  LEU A CG   1 
ATOM   1511 C CD1  . LEU A 1 83  ? 9.780   -4.165  -10.307 0.88 11.51  ? 99  LEU A CD1  1 
ATOM   1512 C CD2  . LEU A 1 83  ? 8.523   -2.176  -9.501  0.88 8.92   ? 99  LEU A CD2  1 
ATOM   1513 H H    . LEU A 1 83  ? 5.620   -4.284  -12.710 0.88 8.31   ? 99  LEU A H    1 
ATOM   1514 H HA   . LEU A 1 83  ? 7.942   -5.528  -12.060 0.88 8.10   ? 99  LEU A HA   1 
ATOM   1515 H HB2  . LEU A 1 83  ? 8.046   -3.232  -11.983 0.88 9.03   ? 99  LEU A HB2  1 
ATOM   1516 H HB3  . LEU A 1 83  ? 6.738   -3.160  -11.093 0.88 9.03   ? 99  LEU A HB3  1 
ATOM   1517 H HG   . LEU A 1 83  ? 7.994   -4.147  -9.324  0.88 10.05  ? 99  LEU A HG   1 
ATOM   1518 H HD11 . LEU A 1 83  ? 9.691   -5.087  -10.596 0.88 13.81  ? 99  LEU A HD11 1 
ATOM   1519 H HD12 . LEU A 1 83  ? 10.314  -4.122  -9.498  0.88 13.81  ? 99  LEU A HD12 1 
ATOM   1520 H HD13 . LEU A 1 83  ? 10.195  -3.637  -11.006 0.88 13.81  ? 99  LEU A HD13 1 
ATOM   1521 H HD21 . LEU A 1 83  ? 8.933   -1.626  -10.187 0.88 10.71  ? 99  LEU A HD21 1 
ATOM   1522 H HD22 . LEU A 1 83  ? 9.074   -2.175  -8.702  0.88 10.71  ? 99  LEU A HD22 1 
ATOM   1523 H HD23 . LEU A 1 83  ? 7.637   -1.841  -9.293  0.88 10.71  ? 99  LEU A HD23 1 
ATOM   1524 N N    . GLN A 1 84  ? 7.158   -6.952  -10.249 1.00 8.46   ? 100 GLN A N    1 
ATOM   1525 C CA   . GLN A 1 84  ? 6.760   -7.709  -9.058  1.00 9.08   ? 100 GLN A CA   1 
ATOM   1526 C C    . GLN A 1 84  ? 7.793   -7.510  -7.960  1.00 9.05   ? 100 GLN A C    1 
ATOM   1527 O O    . GLN A 1 84  ? 8.993   -7.689  -8.184  0.94 10.64  ? 100 GLN A O    1 
ATOM   1528 C CB   . GLN A 1 84  ? 6.636   -9.201  -9.403  1.00 10.79  ? 100 GLN A CB   1 
ATOM   1529 C CG   . GLN A 1 84  ? 6.139   -9.984  -8.191  0.98 14.84  ? 100 GLN A CG   1 
ATOM   1530 C CD   . GLN A 1 84  ? 6.284   -11.503 -8.448  0.73 20.94  ? 100 GLN A CD   1 
ATOM   1531 O OE1  . GLN A 1 84  ? 7.373   -12.045 -8.575  0.62 21.66  ? 100 GLN A OE1  1 
ATOM   1532 N NE2  . GLN A 1 84  ? 5.209   -12.157 -8.625  0.58 23.42  ? 100 GLN A NE2  1 
ATOM   1533 H H    . GLN A 1 84  ? 7.807   -7.306  -10.688 0.87 10.15  ? 100 GLN A H    1 
ATOM   1534 H HA   . GLN A 1 84  ? 5.902   -7.390  -8.740  0.88 10.89  ? 100 GLN A HA   1 
ATOM   1535 H HB2  . GLN A 1 84  ? 5.998   -9.315  -10.125 0.93 12.95  ? 100 GLN A HB2  1 
ATOM   1536 H HB3  . GLN A 1 84  ? 7.505   -9.549  -9.658  0.95 12.95  ? 100 GLN A HB3  1 
ATOM   1537 H HG2  . GLN A 1 84  ? 6.669   -9.750  -7.413  0.91 17.81  ? 100 GLN A HG2  1 
ATOM   1538 H HG3  . GLN A 1 84  ? 5.202   -9.785  -8.037  0.95 17.81  ? 100 GLN A HG3  1 
ATOM   1539 H HE21 . GLN A 1 84  ? 5.241   -13.004 -8.771  0.00 28.11  ? 100 GLN A HE21 1 
ATOM   1540 H HE22 . GLN A 1 84  ? 4.451   -11.753 -8.599  0.00 28.11  ? 100 GLN A HE22 1 
ATOM   1541 N N    . ILE A 1 85  ? 7.302   -7.166  -6.770  1.00 9.22   ? 101 ILE A N    1 
ATOM   1542 C CA   . ILE A 1 85  ? 8.120   -7.080  -5.571  1.00 9.42   ? 101 ILE A CA   1 
ATOM   1543 C C    . ILE A 1 85  ? 7.538   -8.063  -4.560  0.92 9.70   ? 101 ILE A C    1 
ATOM   1544 O O    . ILE A 1 85  ? 6.354   -7.980  -4.225  0.98 11.30  ? 101 ILE A O    1 
ATOM   1545 C CB   . ILE A 1 85  ? 8.188   -5.649  -4.998  0.97 10.94  ? 101 ILE A CB   1 
ATOM   1546 C CG1  . ILE A 1 85  ? 8.889   -4.718  -6.035  0.89 11.15  ? 101 ILE A CG1  1 
ATOM   1547 C CG2  . ILE A 1 85  ? 8.915   -5.679  -3.673  0.92 14.03  ? 101 ILE A CG2  1 
ATOM   1548 C CD1  . ILE A 1 85  ? 9.037   -3.287  -5.611  0.68 10.58  ? 101 ILE A CD1  1 
ATOM   1549 H H    . ILE A 1 85  ? 6.475   -6.974  -6.633  1.00 11.06  ? 101 ILE A H    1 
ATOM   1550 H HA   . ILE A 1 85  ? 9.024   -7.363  -5.782  1.00 11.31  ? 101 ILE A HA   1 
ATOM   1551 H HB   . ILE A 1 85  ? 7.285   -5.328  -4.851  0.97 13.12  ? 101 ILE A HB   1 
ATOM   1552 H HG12 . ILE A 1 85  ? 9.779   -5.065  -6.207  0.93 13.38  ? 101 ILE A HG12 1 
ATOM   1553 H HG13 . ILE A 1 85  ? 8.372   -4.728  -6.856  0.97 13.38  ? 101 ILE A HG13 1 
ATOM   1554 H HG21 . ILE A 1 85  ? 8.432   -6.257  -3.061  0.94 16.83  ? 101 ILE A HG21 1 
ATOM   1555 H HG22 . ILE A 1 85  ? 8.956   -4.778  -3.315  0.94 16.83  ? 101 ILE A HG22 1 
ATOM   1556 H HG23 . ILE A 1 85  ? 9.812   -6.021  -3.813  0.95 16.83  ? 101 ILE A HG23 1 
ATOM   1557 H HD11 . ILE A 1 85  ? 8.157   -2.914  -5.449  0.70 12.69  ? 101 ILE A HD11 1 
ATOM   1558 H HD12 . ILE A 1 85  ? 9.481   -2.793  -6.318  0.61 12.69  ? 101 ILE A HD12 1 
ATOM   1559 H HD13 . ILE A 1 85  ? 9.567   -3.252  -4.799  0.71 12.69  ? 101 ILE A HD13 1 
ATOM   1560 N N    . THR A 1 86  ? 8.370   -8.966  -4.073  1.00 10.28  ? 102 THR A N    1 
ATOM   1561 C CA   . THR A 1 86  ? 7.960   -9.952  -3.103  1.00 11.24  ? 102 THR A CA   1 
ATOM   1562 C C    . THR A 1 86  ? 8.242   -9.467  -1.677  1.00 11.26  ? 102 THR A C    1 
ATOM   1563 O O    . THR A 1 86  ? 9.194   -8.737  -1.421  0.84 12.24  ? 102 THR A O    1 
ATOM   1564 C CB   . THR A 1 86  ? 8.560   -11.316 -3.383  0.93 13.66  ? 102 THR A CB   1 
ATOM   1565 O OG1  . THR A 1 86  ? 9.906   -11.264 -3.289  0.60 12.24  ? 102 THR A OG1  1 
ATOM   1566 C CG2  . THR A 1 86  ? 8.252   -11.790 -4.746  0.92 16.66  ? 102 THR A CG2  1 
ATOM   1567 H H    . THR A 1 86  ? 9.198   -9.027  -4.297  0.98 12.34  ? 102 THR A H    1 
ATOM   1568 H HA   . THR A 1 86  ? 6.998   -10.053 -3.176  1.00 13.49  ? 102 THR A HA   1 
ATOM   1569 H HB   . THR A 1 86  ? 8.214   -11.961 -2.747  0.89 16.39  ? 102 THR A HB   1 
ATOM   1570 H HG1  . THR A 1 86  ? 10.131  -11.024 -2.517  0.00 14.68  ? 102 THR A HG1  1 
ATOM   1571 H HG21 . THR A 1 86  ? 7.292   -11.858 -4.864  0.86 19.99  ? 102 THR A HG21 1 
ATOM   1572 H HG22 . THR A 1 86  ? 8.650   -12.662 -4.891  0.87 19.99  ? 102 THR A HG22 1 
ATOM   1573 H HG23 . THR A 1 86  ? 8.607   -11.169 -5.401  0.88 19.99  ? 102 THR A HG23 1 
ATOM   1574 N N    . ASP A 1 87  ? 7.379   -9.916  -0.777  0.99 11.87  ? 103 ASP A N    1 
ATOM   1575 C CA   . ASP A 1 87  ? 7.494   -9.682  0.656   0.98 13.09  ? 103 ASP A CA   1 
ATOM   1576 C C    . ASP A 1 87  ? 7.583   -8.178  0.957   1.00 11.84  ? 103 ASP A C    1 
ATOM   1577 O O    . ASP A 1 87  ? 8.581   -7.614  1.417   1.00 13.09  ? 103 ASP A O    1 
ATOM   1578 C CB   . ASP A 1 87  ? 8.669   -10.435 1.249   0.88 14.28  ? 103 ASP A CB   1 
ATOM   1579 C CG   . ASP A 1 87  ? 8.628   -10.459 2.748   0.75 17.48  ? 103 ASP A CG   1 
ATOM   1580 O OD1  . ASP A 1 87  ? 7.615   -10.062 3.368   0.71 18.87  ? 103 ASP A OD1  1 
ATOM   1581 O OD2  . ASP A 1 87  ? 9.630   -10.878 3.335   0.56 18.89  ? 103 ASP A OD2  1 
ATOM   1582 H H    . ASP A 1 87  ? 6.686   -10.381 -0.983  0.98 14.25  ? 103 ASP A H    1 
ATOM   1583 H HA   . ASP A 1 87  ? 6.691   -10.016 1.085   0.96 15.71  ? 103 ASP A HA   1 
ATOM   1584 H HB2  . ASP A 1 87  ? 8.652   -11.352 0.931   0.86 17.13  ? 103 ASP A HB2  1 
ATOM   1585 H HB3  . ASP A 1 87  ? 9.494   -10.003 0.976   0.86 17.13  ? 103 ASP A HB3  1 
ATOM   1586 N N    . VAL A 1 88  ? 6.454   -7.528  0.666   1.00 11.98  ? 104 VAL A N    1 
ATOM   1587 C CA   . VAL A 1 88  ? 6.337   -6.080  0.785   1.00 11.63  ? 104 VAL A CA   1 
ATOM   1588 C C    . VAL A 1 88  ? 6.511   -5.613  2.228   0.98 11.65  ? 104 VAL A C    1 
ATOM   1589 O O    . VAL A 1 88  ? 5.954   -6.204  3.173   0.87 13.57  ? 104 VAL A O    1 
ATOM   1590 C CB   . VAL A 1 88  ? 4.986   -5.635  0.219   0.99 14.29  ? 104 VAL A CB   1 
ATOM   1591 C CG1  . VAL A 1 88  ? 4.660   -4.182  0.481   0.64 14.40  ? 104 VAL A CG1  1 
ATOM   1592 C CG2  . VAL A 1 88  ? 5.006   -5.863  -1.301  1.00 15.71  ? 104 VAL A CG2  1 
ATOM   1593 H H    . VAL A 1 88  ? 5.734   -7.912  0.395   1.00 14.38  ? 104 VAL A H    1 
ATOM   1594 H HA   . VAL A 1 88  ? 7.034   -5.665  0.252   1.00 13.95  ? 104 VAL A HA   1 
ATOM   1595 H HB   . VAL A 1 88  ? 4.280   -6.181  0.601   0.99 17.15  ? 104 VAL A HB   1 
ATOM   1596 H HG11 . VAL A 1 88  ? 4.639   -4.031  1.439   0.67 17.28  ? 104 VAL A HG11 1 
ATOM   1597 H HG12 . VAL A 1 88  ? 3.794   -3.979  0.094   0.67 17.28  ? 104 VAL A HG12 1 
ATOM   1598 H HG13 . VAL A 1 88  ? 5.344   -3.628  0.073   0.67 17.28  ? 104 VAL A HG13 1 
ATOM   1599 H HG21 . VAL A 1 88  ? 5.724   -5.339  -1.689  1.00 18.85  ? 104 VAL A HG21 1 
ATOM   1600 H HG22 . VAL A 1 88  ? 4.155   -5.584  -1.673  1.00 18.85  ? 104 VAL A HG22 1 
ATOM   1601 H HG23 . VAL A 1 88  ? 5.152   -6.806  -1.477  1.00 18.85  ? 104 VAL A HG23 1 
ATOM   1602 N N    . LYS A 1 89  ? 7.272   -4.534  2.407   0.85 9.74   ? 105 LYS A N    1 
ATOM   1603 C CA   . LYS A 1 89  ? 7.576   -3.919  3.679   0.85 9.85   ? 105 LYS A CA   1 
ATOM   1604 C C    . LYS A 1 89  ? 6.947   -2.538  3.778   0.90 9.40   ? 105 LYS A C    1 
ATOM   1605 O O    . LYS A 1 89  ? 6.568   -1.943  2.784   0.98 10.17  ? 105 LYS A O    1 
ATOM   1606 C CB   . LYS A 1 89  ? 9.091   -3.795  3.848   0.76 10.97  ? 105 LYS A CB   1 
ATOM   1607 C CG   . LYS A 1 89  ? 9.770   -5.183  3.906   0.69 12.17  ? 105 LYS A CG   1 
ATOM   1608 C CD   . LYS A 1 89  ? 9.402   -5.956  5.155   0.51 13.68  ? 105 LYS A CD   1 
ATOM   1609 C CE   . LYS A 1 89  ? 10.123  -7.269  5.327   0.43 15.49  ? 105 LYS A CE   1 
ATOM   1610 N NZ   . LYS A 1 89  ? 9.694   -7.970  6.552   0.46 16.60  ? 105 LYS A NZ   1 
ATOM   1611 H H    . LYS A 1 89  ? 7.643   -4.120  1.752   0.82 11.68  ? 105 LYS A H    1 
ATOM   1612 H HA   . LYS A 1 89  ? 7.229   -4.470  4.398   0.89 11.82  ? 105 LYS A HA   1 
ATOM   1613 H HB2  . LYS A 1 89  ? 9.459   -3.308  3.093   0.76 13.16  ? 105 LYS A HB2  1 
ATOM   1614 H HB3  . LYS A 1 89  ? 9.284   -3.327  4.675   0.81 13.16  ? 105 LYS A HB3  1 
ATOM   1615 H HG2  . LYS A 1 89  ? 9.491   -5.704  3.137   0.67 14.60  ? 105 LYS A HG2  1 
ATOM   1616 H HG3  . LYS A 1 89  ? 10.733  -5.065  3.897   0.71 14.60  ? 105 LYS A HG3  1 
ATOM   1617 H HD2  . LYS A 1 89  ? 9.606   -5.406  5.928   0.46 16.42  ? 105 LYS A HD2  1 
ATOM   1618 H HD3  . LYS A 1 89  ? 8.451   -6.145  5.132   0.50 16.42  ? 105 LYS A HD3  1 
ATOM   1619 H HE2  . LYS A 1 89  ? 9.932   -7.840  4.568   0.47 18.59  ? 105 LYS A HE2  1 
ATOM   1620 H HE3  . LYS A 1 89  ? 11.077  -7.104  5.391   0.46 18.59  ? 105 LYS A HE3  1 
ATOM   1621 H HZ1  . LYS A 1 89  ? 9.863   -7.466  7.266   0.43 19.92  ? 105 LYS A HZ1  1 
ATOM   1622 H HZ2  . LYS A 1 89  ? 10.133  -8.740  6.631   0.44 19.92  ? 105 LYS A HZ2  1 
ATOM   1623 H HZ3  . LYS A 1 89  ? 8.821   -8.138  6.516   0.45 19.92  ? 105 LYS A HZ3  1 
ATOM   1624 N N    . LEU A 1 90  ? 6.876   -2.003  5.008   1.00 10.14  ? 106 LEU A N    1 
ATOM   1625 C CA   . LEU A 1 90  ? 6.319   -0.646  5.158   0.98 10.00  ? 106 LEU A CA   1 
ATOM   1626 C C    . LEU A 1 90  ? 7.086   0.372   4.312   0.97 10.85  ? 106 LEU A C    1 
ATOM   1627 O O    . LEU A 1 90  ? 6.495   1.280   3.750   0.88 11.49  ? 106 LEU A O    1 
ATOM   1628 C CB   . LEU A 1 90  ? 6.341   -0.220  6.618   0.94 9.54   ? 106 LEU A CB   1 
ATOM   1629 C CG   . LEU A 1 90  ? 5.520   -1.072  7.597   0.96 10.25  ? 106 LEU A CG   1 
ATOM   1630 C CD1  . LEU A 1 90  ? 5.691   -0.538  8.971   1.00 11.39  ? 106 LEU A CD1  1 
ATOM   1631 C CD2  . LEU A 1 90  ? 4.054   -1.146  7.190   0.82 11.13  ? 106 LEU A CD2  1 
ATOM   1632 H H    . LEU A 1 90  ? 7.129   -2.383  5.738   1.00 12.17  ? 106 LEU A H    1 
ATOM   1633 H HA   . LEU A 1 90  ? 5.396   -0.649  4.860   0.96 12.00  ? 106 LEU A HA   1 
ATOM   1634 H HB2  . LEU A 1 90  ? 7.261   -0.238  6.925   0.91 11.44  ? 106 LEU A HB2  1 
ATOM   1635 H HB3  . LEU A 1 90  ? 6.002   0.687   6.674   0.86 11.44  ? 106 LEU A HB3  1 
ATOM   1636 H HG   . LEU A 1 90  ? 5.871   -1.976  7.589   0.85 12.30  ? 106 LEU A HG   1 
ATOM   1637 H HD11 . LEU A 1 90  ? 6.631   -0.576  9.210   1.00 13.67  ? 106 LEU A HD11 1 
ATOM   1638 H HD12 . LEU A 1 90  ? 5.171   -1.079  9.587   1.00 13.67  ? 106 LEU A HD12 1 
ATOM   1639 H HD13 . LEU A 1 90  ? 5.381   0.380   8.994   1.00 13.67  ? 106 LEU A HD13 1 
ATOM   1640 H HD21 . LEU A 1 90  ? 3.685   -0.250  7.176   0.77 13.35  ? 106 LEU A HD21 1 
ATOM   1641 H HD22 . LEU A 1 90  ? 3.575   -1.692  7.834   0.78 13.35  ? 106 LEU A HD22 1 
ATOM   1642 H HD23 . LEU A 1 90  ? 3.992   -1.544  6.308   0.87 13.35  ? 106 LEU A HD23 1 
ATOM   1643 N N    . GLN A 1 91  ? 8.391   0.223   4.227   0.89 11.37  ? 107 GLN A N    1 
ATOM   1644 C CA   . GLN A 1 91  ? 9.235   1.161   3.468   0.80 12.02  ? 107 GLN A CA   1 
ATOM   1645 C C    . GLN A 1 91  ? 9.110   1.006   1.965   0.84 12.12  ? 107 GLN A C    1 
ATOM   1646 O O    . GLN A 1 91  ? 9.701   1.801   1.218   0.92 14.65  ? 107 GLN A O    1 
ATOM   1647 C CB   . GLN A 1 91  ? 10.710  1.070   3.910   0.74 13.58  ? 107 GLN A CB   1 
ATOM   1648 C CG   . GLN A 1 91  ? 11.293  -0.258  3.687   0.73 13.28  ? 107 GLN A CG   1 
ATOM   1649 C CD   . GLN A 1 91  ? 11.204  -1.239  4.866   0.73 13.49  ? 107 GLN A CD   1 
ATOM   1650 O OE1  . GLN A 1 91  ? 10.376  -1.083  5.757   0.90 13.42  ? 107 GLN A OE1  1 
ATOM   1651 N NE2  . GLN A 1 91  ? 12.042  -2.299  4.848   0.68 14.29  ? 107 GLN A NE2  1 
ATOM   1652 H H    . GLN A 1 91  ? 8.829   -0.417  4.599   0.93 13.65  ? 107 GLN A H    1 
ATOM   1653 H HA   . GLN A 1 91  ? 8.936   2.060   3.679   0.78 14.42  ? 107 GLN A HA   1 
ATOM   1654 H HB2  . GLN A 1 91  ? 11.231  1.714   3.405   0.74 16.30  ? 107 GLN A HB2  1 
ATOM   1655 H HB3  . GLN A 1 91  ? 10.768  1.267   4.858   0.81 16.30  ? 107 GLN A HB3  1 
ATOM   1656 H HG2  . GLN A 1 91  ? 10.839  -0.668  2.934   0.71 15.93  ? 107 GLN A HG2  1 
ATOM   1657 H HG3  . GLN A 1 91  ? 12.233  -0.147  3.474   0.70 15.93  ? 107 GLN A HG3  1 
ATOM   1658 H HE21 . GLN A 1 91  ? 12.024  -2.872  5.489   0.00 17.14  ? 107 GLN A HE21 1 
ATOM   1659 H HE22 . GLN A 1 91  ? 12.592  -2.400  4.195   0.00 17.14  ? 107 GLN A HE22 1 
ATOM   1660 N N    . ASP A 1 92  ? 8.323   0.048   1.469   0.94 11.73  ? 108 ASP A N    1 
ATOM   1661 C CA   . ASP A 1 92  ? 7.958   -0.025  0.069   0.96 11.21  ? 108 ASP A CA   1 
ATOM   1662 C C    . ASP A 1 92  ? 6.826   0.909   -0.274  0.92 9.81   ? 108 ASP A C    1 
ATOM   1663 O O    . ASP A 1 92  ? 6.506   1.051   -1.463  0.91 10.16  ? 108 ASP A O    1 
ATOM   1664 C CB   . ASP A 1 92  ? 7.670   -1.470  -0.338  1.00 12.01  ? 108 ASP A CB   1 
ATOM   1665 C CG   . ASP A 1 92  ? 8.892   -2.404  -0.291  0.91 12.52  ? 108 ASP A CG   1 
ATOM   1666 O OD1  . ASP A 1 92  ? 9.977   -1.977  -0.721  0.76 13.73  ? 108 ASP A OD1  1 
ATOM   1667 O OD2  . ASP A 1 92  ? 8.753   -3.536  0.190   0.95 13.52  ? 108 ASP A OD2  1 
ATOM   1668 H H    . ASP A 1 92  ? 7.983   -0.584  1.943   0.95 14.08  ? 108 ASP A H    1 
ATOM   1669 H HA   . ASP A 1 92  ? 8.724   0.264   -0.451  0.93 13.45  ? 108 ASP A HA   1 
ATOM   1670 H HB2  . ASP A 1 92  ? 6.999   -1.833  0.261   1.00 14.41  ? 108 ASP A HB2  1 
ATOM   1671 H HB3  . ASP A 1 92  ? 7.332   -1.474  -1.247  1.00 14.41  ? 108 ASP A HB3  1 
ATOM   1672 N N    . ALA A 1 93  ? 6.192   1.560   0.683   0.92 9.50   ? 109 ALA A N    1 
ATOM   1673 C CA   . ALA A 1 93  ? 5.206   2.585   0.392   0.92 9.51   ? 109 ALA A CA   1 
ATOM   1674 C C    . ALA A 1 93  ? 5.909   3.802   -0.206  0.92 9.64   ? 109 ALA A C    1 
ATOM   1675 O O    . ALA A 1 93  ? 7.005   4.177   0.236   0.92 10.91  ? 109 ALA A O    1 
ATOM   1676 C CB   . ALA A 1 93  ? 4.443   2.955   1.633   0.92 9.91   ? 109 ALA A CB   1 
ATOM   1677 H H    . ALA A 1 93  ? 6.317   1.425   1.523   0.92 11.40  ? 109 ALA A H    1 
ATOM   1678 H HA   . ALA A 1 93  ? 4.575   2.246   -0.262  0.92 11.42  ? 109 ALA A HA   1 
ATOM   1679 H HB1  . ALA A 1 93  ? 3.991   2.167   1.973   0.92 11.90  ? 109 ALA A HB1  1 
ATOM   1680 H HB2  . ALA A 1 93  ? 3.792   3.640   1.411   0.92 11.90  ? 109 ALA A HB2  1 
ATOM   1681 H HB3  . ALA A 1 93  ? 5.065   3.292   2.297   0.92 11.90  ? 109 ALA A HB3  1 
ATOM   1682 N N    . GLY A 1 94  ? 5.279   4.397   -1.188  1.00 9.64   ? 110 GLY A N    1 
ATOM   1683 C CA   . GLY A 1 94  ? 5.812   5.617   -1.785  0.90 9.74   ? 110 GLY A CA   1 
ATOM   1684 C C    . GLY A 1 94  ? 5.452   5.703   -3.243  0.99 8.70   ? 110 GLY A C    1 
ATOM   1685 O O    . GLY A 1 94  ? 4.571   5.003   -3.736  0.98 9.07   ? 110 GLY A O    1 
ATOM   1686 H H    . GLY A 1 94  ? 4.541   4.124   -1.535  1.00 11.57  ? 110 GLY A H    1 
ATOM   1687 H HA2  . GLY A 1 94  ? 5.449   6.391   -1.328  0.91 11.68  ? 110 GLY A HA2  1 
ATOM   1688 H HA3  . GLY A 1 94  ? 6.778   5.628   -1.701  0.96 11.68  ? 110 GLY A HA3  1 
ATOM   1689 N N    . VAL A 1 95  ? 6.150   6.583   -3.932  0.99 8.98   ? 111 VAL A N    1 
ATOM   1690 C CA   . VAL A 1 95  ? 5.879   6.888   -5.340  1.00 9.55   ? 111 VAL A CA   1 
ATOM   1691 C C    . VAL A 1 95  ? 6.919   6.175   -6.201  0.91 8.73   ? 111 VAL A C    1 
ATOM   1692 O O    . VAL A 1 95  ? 8.137   6.350   -6.034  0.94 10.70  ? 111 VAL A O    1 
ATOM   1693 C CB   . VAL A 1 95  ? 5.901   8.404   -5.607  1.00 11.78  ? 111 VAL A CB   1 
ATOM   1694 C CG1  . VAL A 1 95  ? 5.655   8.664   -7.058  0.82 13.48  ? 111 VAL A CG1  1 
ATOM   1695 C CG2  . VAL A 1 95  ? 4.854   9.100   -4.752  0.87 12.28  ? 111 VAL A CG2  1 
ATOM   1696 H H    . VAL A 1 95  ? 6.807   7.032   -3.606  0.92 10.77  ? 111 VAL A H    1 
ATOM   1697 H HA   . VAL A 1 95  ? 5.002   6.550   -5.579  1.00 11.46  ? 111 VAL A HA   1 
ATOM   1698 H HB   . VAL A 1 95  ? 6.773   8.760   -5.375  1.00 14.13  ? 111 VAL A HB   1 
ATOM   1699 H HG11 . VAL A 1 95  ? 6.350   8.232   -7.579  0.90 16.17  ? 111 VAL A HG11 1 
ATOM   1700 H HG12 . VAL A 1 95  ? 5.671   9.622   -7.214  0.85 16.17  ? 111 VAL A HG12 1 
ATOM   1701 H HG13 . VAL A 1 95  ? 4.787   8.304   -7.300  0.89 16.17  ? 111 VAL A HG13 1 
ATOM   1702 H HG21 . VAL A 1 95  ? 3.979   8.746   -4.976  0.96 14.73  ? 111 VAL A HG21 1 
ATOM   1703 H HG22 . VAL A 1 95  ? 4.882   10.052  -4.932  0.93 14.73  ? 111 VAL A HG22 1 
ATOM   1704 H HG23 . VAL A 1 95  ? 5.049   8.934   -3.817  0.98 14.73  ? 111 VAL A HG23 1 
ATOM   1705 N N    . TYR A 1 96  ? 6.433   5.400   -7.127  1.00 8.58   ? 112 TYR A N    1 
ATOM   1706 C CA   . TYR A 1 96  ? 7.224   4.651   -8.099  1.00 8.50   ? 112 TYR A CA   1 
ATOM   1707 C C    . TYR A 1 96  ? 7.076   5.323   -9.448  1.00 8.79   ? 112 TYR A C    1 
ATOM   1708 O O    . TYR A 1 96  ? 6.008   5.811   -9.811  0.98 11.41  ? 112 TYR A O    1 
ATOM   1709 C CB   . TYR A 1 96  ? 6.656   3.213   -8.204  0.91 8.03   ? 112 TYR A CB   1 
ATOM   1710 C CG   . TYR A 1 96  ? 6.891   2.365   -6.968  0.96 7.79   ? 112 TYR A CG   1 
ATOM   1711 C CD1  . TYR A 1 96  ? 6.249   2.631   -5.780  0.93 8.14   ? 112 TYR A CD1  1 
ATOM   1712 C CD2  . TYR A 1 96  ? 7.773   1.317   -6.991  0.89 7.86   ? 112 TYR A CD2  1 
ATOM   1713 C CE1  . TYR A 1 96  ? 6.528   1.886   -4.656  0.88 7.98   ? 112 TYR A CE1  1 
ATOM   1714 C CE2  . TYR A 1 96  ? 8.024   0.547   -5.883  0.83 7.91   ? 112 TYR A CE2  1 
ATOM   1715 C CZ   . TYR A 1 96  ? 7.400   0.834   -4.696  0.88 8.03   ? 112 TYR A CZ   1 
ATOM   1716 O OH   . TYR A 1 96  ? 7.692   0.065   -3.595  1.00 10.52  ? 112 TYR A OH   1 
ATOM   1717 H H    . TYR A 1 96  ? 5.588   5.274   -7.229  1.00 10.29  ? 112 TYR A H    1 
ATOM   1718 H HA   . TYR A 1 96  ? 8.159   4.623   -7.842  1.00 10.20  ? 112 TYR A HA   1 
ATOM   1719 H HB2  . TYR A 1 96  ? 5.699   3.265   -8.349  0.96 9.64   ? 112 TYR A HB2  1 
ATOM   1720 H HB3  . TYR A 1 96  ? 7.078   2.765   -8.954  1.00 9.64   ? 112 TYR A HB3  1 
ATOM   1721 H HD1  . TYR A 1 96  ? 5.662   3.350   -5.723  0.90 9.76   ? 112 TYR A HD1  1 
ATOM   1722 H HD2  . TYR A 1 96  ? 8.214   1.118   -7.785  0.98 9.44   ? 112 TYR A HD2  1 
ATOM   1723 H HE1  . TYR A 1 96  ? 6.086   2.080   -3.861  0.93 9.58   ? 112 TYR A HE1  1 
ATOM   1724 H HE2  . TYR A 1 96  ? 8.636   -0.152  -5.930  0.86 9.49   ? 112 TYR A HE2  1 
ATOM   1725 H HH   . TYR A 1 96  ? 7.262   0.342   -2.929  0.00 12.63  ? 112 TYR A HH   1 
ATOM   1726 N N    A ARG A 1 97  ? 8.144   5.338   -10.202 0.57 7.14   ? 113 ARG A N    1 
ATOM   1727 N N    B ARG A 1 97  ? 8.151   5.275   -10.230 0.43 9.40   ? 113 ARG A N    1 
ATOM   1728 C CA   A ARG A 1 97  ? 8.095   5.773   -11.586 0.57 6.98   ? 113 ARG A CA   1 
ATOM   1729 C CA   B ARG A 1 97  ? 8.134   5.741   -11.609 0.43 11.04  ? 113 ARG A CA   1 
ATOM   1730 C C    A ARG A 1 97  ? 8.500   4.618   -12.490 0.57 6.36   ? 113 ARG A C    1 
ATOM   1731 C C    B ARG A 1 97  ? 8.508   4.601   -12.537 0.43 11.34  ? 113 ARG A C    1 
ATOM   1732 O O    A ARG A 1 97  ? 9.512   3.957   -12.267 0.57 7.72   ? 113 ARG A O    1 
ATOM   1733 O O    B ARG A 1 97  ? 9.495   3.890   -12.299 0.43 10.88  ? 113 ARG A O    1 
ATOM   1734 C CB   A ARG A 1 97  ? 9.086   6.922   -11.813 0.57 9.75   ? 113 ARG A CB   1 
ATOM   1735 C CB   B ARG A 1 97  ? 9.122   6.895   -11.821 0.43 12.83  ? 113 ARG A CB   1 
ATOM   1736 C CG   A ARG A 1 97  ? 8.620   8.206   -11.317 0.57 13.55  ? 113 ARG A CG   1 
ATOM   1737 C CG   B ARG A 1 97  ? 8.678   8.225   -11.305 0.43 15.62  ? 113 ARG A CG   1 
ATOM   1738 C CD   A ARG A 1 97  ? 9.754   9.266   -11.210 0.57 18.79  ? 113 ARG A CD   1 
ATOM   1739 C CD   B ARG A 1 97  ? 9.847   9.250   -11.323 0.43 19.23  ? 113 ARG A CD   1 
ATOM   1740 N NE   A ARG A 1 97  ? 10.876  8.953   -10.239 0.57 22.65  ? 113 ARG A NE   1 
ATOM   1741 N NE   B ARG A 1 97  ? 10.959  8.839   -10.402 0.43 23.04  ? 113 ARG A NE   1 
ATOM   1742 C CZ   A ARG A 1 97  ? 10.806  8.503   -8.960  0.57 24.63  ? 113 ARG A CZ   1 
ATOM   1743 C CZ   B ARG A 1 97  ? 10.930  8.862   -9.059  0.43 24.78  ? 113 ARG A CZ   1 
ATOM   1744 N NH1  A ARG A 1 97  ? 9.632   8.136   -8.346  0.57 25.16  ? 113 ARG A NH1  1 
ATOM   1745 N NH1  B ARG A 1 97  ? 9.861   9.326   -8.417  0.43 25.18  ? 113 ARG A NH1  1 
ATOM   1746 N NH2  A ARG A 1 97  ? 11.973  8.361   -8.282  0.57 20.88  ? 113 ARG A NH2  1 
ATOM   1747 N NH2  B ARG A 1 97  ? 11.993  8.442   -8.345  0.43 22.24  ? 113 ARG A NH2  1 
ATOM   1748 H H    A ARG A 1 97  ? 8.927   5.099   -9.938  0.57 8.57   ? 113 ARG A H    1 
ATOM   1749 H H    B ARG A 1 97  ? 8.914   4.970   -9.978  0.43 11.28  ? 113 ARG A H    1 
ATOM   1750 H HA   A ARG A 1 97  ? 7.201   6.067   -11.817 0.57 8.37   ? 113 ARG A HA   1 
ATOM   1751 H HA   B ARG A 1 97  ? 7.243   6.049   -11.839 0.43 13.25  ? 113 ARG A HA   1 
ATOM   1752 H HB2  A ARG A 1 97  ? 9.917   6.713   -11.359 0.57 11.70  ? 113 ARG A HB2  1 
ATOM   1753 H HB2  B ARG A 1 97  ? 9.954   6.673   -11.375 0.43 15.40  ? 113 ARG A HB2  1 
ATOM   1754 H HB3  A ARG A 1 97  ? 9.245   7.013   -12.766 0.57 11.70  ? 113 ARG A HB3  1 
ATOM   1755 H HB3  B ARG A 1 97  ? 9.281   6.992   -12.773 0.43 15.40  ? 113 ARG A HB3  1 
ATOM   1756 H HG2  A ARG A 1 97  ? 7.945   8.551   -11.922 0.57 16.26  ? 113 ARG A HG2  1 
ATOM   1757 H HG2  B ARG A 1 97  ? 7.964   8.566   -11.866 0.43 18.74  ? 113 ARG A HG2  1 
ATOM   1758 H HG3  A ARG A 1 97  ? 8.242   8.084   -10.433 0.57 16.26  ? 113 ARG A HG3  1 
ATOM   1759 H HG3  B ARG A 1 97  ? 8.371   8.128   -10.390 0.43 18.74  ? 113 ARG A HG3  1 
ATOM   1760 H HD2  A ARG A 1 97  ? 10.153  9.373   -12.088 0.57 22.55  ? 113 ARG A HD2  1 
ATOM   1761 H HD2  B ARG A 1 97  ? 10.205  9.310   -12.223 0.43 23.07  ? 113 ARG A HD2  1 
ATOM   1762 H HD3  A ARG A 1 97  ? 9.358   10.107  -10.933 0.57 22.55  ? 113 ARG A HD3  1 
ATOM   1763 H HD3  B ARG A 1 97  ? 9.518   10.115  -11.035 0.43 23.07  ? 113 ARG A HD3  1 
ATOM   1764 H HE   A ARG A 1 97  ? 11.670  9.080   -10.543 0.57 27.18  ? 113 ARG A HE   1 
ATOM   1765 H HE   B ARG A 1 97  ? 11.686  8.563   -10.770 0.43 27.65  ? 113 ARG A HE   1 
ATOM   1766 H HH11 A ARG A 1 97  ? 8.884   8.229   -8.760  0.57 30.19  ? 113 ARG A HH11 1 
ATOM   1767 H HH11 B ARG A 1 97  ? 9.175   9.593   -8.861  0.43 30.22  ? 113 ARG A HH11 1 
ATOM   1768 H HH12 A ARG A 1 97  ? 9.643   7.839   -7.539  0.57 30.19  ? 113 ARG A HH12 1 
ATOM   1769 H HH12 B ARG A 1 97  ? 9.851   9.346   -7.557  0.43 30.22  ? 113 ARG A HH12 1 
ATOM   1770 H HH21 A ARG A 1 97  ? 12.718  8.567   -8.660  0.57 25.05  ? 113 ARG A HH21 1 
ATOM   1771 H HH21 B ARG A 1 97  ? 12.694  8.149   -8.748  0.43 26.68  ? 113 ARG A HH21 1 
ATOM   1772 H HH22 A ARG A 1 97  ? 11.970  8.046   -7.482  0.57 25.05  ? 113 ARG A HH22 1 
ATOM   1773 H HH22 B ARG A 1 97  ? 11.973  8.475   -7.486  0.43 26.68  ? 113 ARG A HH22 1 
ATOM   1774 N N    . CYS A 1 98  ? 7.703   4.405   -13.533 1.00 5.66   ? 114 CYS A N    1 
ATOM   1775 C CA   . CYS A 1 98  ? 8.062   3.522   -14.614 1.00 5.56   ? 114 CYS A CA   1 
ATOM   1776 C C    . CYS A 1 98  ? 8.446   4.404   -15.813 1.00 5.90   ? 114 CYS A C    1 
ATOM   1777 O O    . CYS A 1 98  ? 7.679   5.275   -16.199 1.00 7.94   ? 114 CYS A O    1 
ATOM   1778 C CB   . CYS A 1 98  ? 6.914   2.589   -15.020 1.00 5.49   ? 114 CYS A CB   1 
ATOM   1779 S SG   . CYS A 1 98  ? 5.462   3.474   -15.670 1.00 6.26   ? 114 CYS A SG   1 
ATOM   1780 H H    . CYS A 1 98  ? 6.932   4.774   -13.631 1.00 6.79   ? 114 CYS A H    1 
ATOM   1781 H HA   . CYS A 1 98  ? 8.829   2.985   -14.360 1.00 6.67   ? 114 CYS A HA   1 
ATOM   1782 H HB2  . CYS A 1 98  ? 7.230   1.986   -15.712 1.00 6.59   ? 114 CYS A HB2  1 
ATOM   1783 H HB3  . CYS A 1 98  ? 6.631   2.082   -14.243 1.00 6.59   ? 114 CYS A HB3  1 
ATOM   1784 N N    A MET A 1 99  ? 9.636   4.174   -16.362 0.57 5.51   ? 115 MET A N    1 
ATOM   1785 N N    B MET A 1 99  ? 9.556   4.140   -16.366 0.43 10.89  ? 115 MET A N    1 
ATOM   1786 C CA   A MET A 1 99  ? 10.158  4.934   -17.518 0.57 6.36   ? 115 MET A CA   1 
ATOM   1787 C CA   B MET A 1 99  ? 10.108  4.866   -17.505 0.43 9.37   ? 115 MET A CA   1 
ATOM   1788 C C    A MET A 1 99  ? 10.354  3.933   -18.636 0.57 6.62   ? 115 MET A C    1 
ATOM   1789 C C    B MET A 1 99  ? 10.347  3.879   -18.624 0.43 7.51   ? 115 MET A C    1 
ATOM   1790 O O    A MET A 1 99  ? 10.996  2.907   -18.433 0.57 7.38   ? 115 MET A O    1 
ATOM   1791 O O    B MET A 1 99  ? 11.000  2.838   -18.411 0.43 7.71   ? 115 MET A O    1 
ATOM   1792 C CB   A MET A 1 99  ? 11.464  5.629   -17.102 0.57 6.79   ? 115 MET A CB   1 
ATOM   1793 C CB   B MET A 1 99  ? 11.433  5.525   -17.115 0.43 10.14  ? 115 MET A CB   1 
ATOM   1794 C CG   A MET A 1 99  ? 11.193  6.834   -16.129 0.57 7.60   ? 115 MET A CG   1 
ATOM   1795 C CG   B MET A 1 99  ? 11.319  6.415   -15.917 0.43 10.25  ? 115 MET A CG   1 
ATOM   1796 S SD   A MET A 1 99  ? 12.611  7.237   -15.118 0.57 7.10   ? 115 MET A SD   1 
ATOM   1797 S SD   B MET A 1 99  ? 12.938  7.018   -15.333 0.43 10.44  ? 115 MET A SD   1 
ATOM   1798 C CE   A MET A 1 99  ? 12.442  6.014   -13.761 0.57 7.91   ? 115 MET A CE   1 
ATOM   1799 C CE   B MET A 1 99  ? 12.594  6.987   -13.621 0.43 12.78  ? 115 MET A CE   1 
ATOM   1800 H H    A MET A 1 99  ? 10.179  3.570   -16.081 0.57 6.61   ? 115 MET A H    1 
ATOM   1801 H H    B MET A 1 99  ? 10.109  3.570   -16.036 0.43 13.07  ? 115 MET A H    1 
ATOM   1802 H HA   A MET A 1 99  ? 9.516   5.609   -17.788 0.57 7.63   ? 115 MET A HA   1 
ATOM   1803 H HA   B MET A 1 99  ? 9.486   5.552   -17.795 0.43 11.24  ? 115 MET A HA   1 
ATOM   1804 H HB2  A MET A 1 99  ? 12.034  4.992   -16.644 0.57 8.15   ? 115 MET A HB2  1 
ATOM   1805 H HB2  B MET A 1 99  ? 12.081  4.832   -16.911 0.43 12.17  ? 115 MET A HB2  1 
ATOM   1806 H HB3  A MET A 1 99  ? 11.911  5.972   -17.892 0.57 8.15   ? 115 MET A HB3  1 
ATOM   1807 H HB3  B MET A 1 99  ? 11.748  6.063   -17.858 0.43 12.17  ? 115 MET A HB3  1 
ATOM   1808 H HG2  A MET A 1 99  ? 10.965  7.618   -16.653 0.57 9.12   ? 115 MET A HG2  1 
ATOM   1809 H HG2  B MET A 1 99  ? 10.777  7.186   -16.146 0.43 12.30  ? 115 MET A HG2  1 
ATOM   1810 H HG3  A MET A 1 99  ? 10.459  6.604   -15.538 0.57 9.12   ? 115 MET A HG3  1 
ATOM   1811 H HG3  B MET A 1 99  ? 10.904  5.920   -15.193 0.43 12.30  ? 115 MET A HG3  1 
ATOM   1812 H HE1  A MET A 1 99  ? 11.593  6.156   -13.313 0.57 9.49   ? 115 MET A HE1  1 
ATOM   1813 H HE1  B MET A 1 99  ? 11.844  7.576   -13.440 0.43 15.34  ? 115 MET A HE1  1 
ATOM   1814 H HE2  A MET A 1 99  ? 13.172  6.136   -13.134 0.57 9.49   ? 115 MET A HE2  1 
ATOM   1815 H HE2  B MET A 1 99  ? 13.377  7.290   -13.136 0.43 15.34  ? 115 MET A HE2  1 
ATOM   1816 H HE3  A MET A 1 99  ? 12.473  5.120   -14.136 0.57 9.49   ? 115 MET A HE3  1 
ATOM   1817 H HE3  B MET A 1 99  ? 12.373  6.080   -13.360 0.43 15.34  ? 115 MET A HE3  1 
ATOM   1818 N N    . ILE A 1 100 ? 9.804   4.190   -19.807 0.94 6.47   ? 116 ILE A N    1 
ATOM   1819 C CA   . ILE A 1 100 ? 9.875   3.269   -20.933 0.90 6.43   ? 116 ILE A CA   1 
ATOM   1820 C C    . ILE A 1 100 ? 10.297  4.024   -22.173 0.89 6.81   ? 116 ILE A C    1 
ATOM   1821 O O    . ILE A 1 100 ? 9.716   5.063   -22.516 0.96 7.91   ? 116 ILE A O    1 
ATOM   1822 C CB   . ILE A 1 100 ? 8.523   2.542   -21.165 1.00 7.94   ? 116 ILE A CB   1 
ATOM   1823 C CG1  . ILE A 1 100 ? 8.095   1.811   -19.851 0.85 7.62   ? 116 ILE A CG1  1 
ATOM   1824 C CG2  . ILE A 1 100 ? 8.626   1.590   -22.343 1.00 9.05   ? 116 ILE A CG2  1 
ATOM   1825 C CD1  . ILE A 1 100 ? 6.768   1.119   -19.900 0.74 7.59   ? 116 ILE A CD1  1 
ATOM   1826 H H    . ILE A 1 100 ? 9.381   4.919   -19.981 0.98 7.76   ? 116 ILE A H    1 
ATOM   1827 H HA   . ILE A 1 100 ? 10.549  2.596   -20.748 0.99 7.72   ? 116 ILE A HA   1 
ATOM   1828 H HB   . ILE A 1 100 ? 7.851   3.209   -21.373 1.00 9.53   ? 116 ILE A HB   1 
ATOM   1829 H HG12 . ILE A 1 100 ? 8.765   1.142   -19.641 0.75 9.14   ? 116 ILE A HG12 1 
ATOM   1830 H HG13 . ILE A 1 100 ? 8.056   2.465   -19.136 0.79 9.14   ? 116 ILE A HG13 1 
ATOM   1831 H HG21 . ILE A 1 100 ? 8.856   2.096   -23.138 1.00 10.86  ? 116 ILE A HG21 1 
ATOM   1832 H HG22 . ILE A 1 100 ? 7.771   1.149   -22.467 1.00 10.86  ? 116 ILE A HG22 1 
ATOM   1833 H HG23 . ILE A 1 100 ? 9.315   0.933   -22.158 1.00 10.86  ? 116 ILE A HG23 1 
ATOM   1834 H HD11 . ILE A 1 100 ? 6.078   1.773   -20.091 0.72 9.10   ? 116 ILE A HD11 1 
ATOM   1835 H HD12 . ILE A 1 100 ? 6.599   0.701   -19.041 0.72 9.10   ? 116 ILE A HD12 1 
ATOM   1836 H HD13 . ILE A 1 100 ? 6.789   0.446   -20.598 0.69 9.10   ? 116 ILE A HD13 1 
ATOM   1837 N N    . SER A 1 101 ? 11.302  3.491   -22.860 0.87 6.16   ? 117 SER A N    1 
ATOM   1838 C CA   . SER A 1 101 ? 11.680  3.926   -24.194 1.00 7.58   ? 117 SER A CA   1 
ATOM   1839 C C    . SER A 1 101 ? 11.426  2.755   -25.142 1.00 7.53   ? 117 SER A C    1 
ATOM   1840 O O    . SER A 1 101 ? 11.922  1.633   -24.922 0.99 7.84   ? 117 SER A O    1 
ATOM   1841 C CB   . SER A 1 101 ? 13.152  4.328   -24.244 1.00 8.39   ? 117 SER A CB   1 
ATOM   1842 O OG   . SER A 1 101 ? 13.590  4.577   -25.564 1.00 8.77   ? 117 SER A OG   1 
ATOM   1843 H H    . SER A 1 101 ? 11.795  2.853   -22.560 0.85 7.39   ? 117 SER A H    1 
ATOM   1844 H HA   . SER A 1 101 ? 11.134  4.680   -24.467 1.00 9.10   ? 117 SER A HA   1 
ATOM   1845 H HB2  . SER A 1 101 ? 13.273  5.134   -23.718 0.98 10.06  ? 117 SER A HB2  1 
ATOM   1846 H HB3  . SER A 1 101 ? 13.685  3.609   -23.869 1.00 10.06  ? 117 SER A HB3  1 
ATOM   1847 H HG   . SER A 1 101 ? 13.495  3.886   -26.033 0.00 10.52  ? 117 SER A HG   1 
ATOM   1848 N N    . TYR A 1 102 ? 10.660  3.008   -26.187 1.00 7.91   ? 118 TYR A N    1 
ATOM   1849 C CA   . TYR A 1 102 ? 10.364  2.005   -27.198 1.00 8.50   ? 118 TYR A CA   1 
ATOM   1850 C C    . TYR A 1 102 ? 10.048  2.790   -28.459 1.00 8.97   ? 118 TYR A C    1 
ATOM   1851 O O    . TYR A 1 102 ? 8.894   2.969   -28.852 1.00 10.54  ? 118 TYR A O    1 
ATOM   1852 C CB   . TYR A 1 102 ? 9.192   1.114   -26.770 1.00 8.65   ? 118 TYR A CB   1 
ATOM   1853 C CG   . TYR A 1 102 ? 8.921   -0.038  -27.681 1.00 8.59   ? 118 TYR A CG   1 
ATOM   1854 C CD1  . TYR A 1 102 ? 9.875   -1.022  -27.881 0.90 8.68   ? 118 TYR A CD1  1 
ATOM   1855 C CD2  . TYR A 1 102 ? 7.718   -0.160  -28.379 0.83 8.71   ? 118 TYR A CD2  1 
ATOM   1856 C CE1  . TYR A 1 102 ? 9.678   -2.081  -28.720 0.95 9.63   ? 118 TYR A CE1  1 
ATOM   1857 C CE2  . TYR A 1 102 ? 7.488   -1.216  -29.220 0.88 10.02  ? 118 TYR A CE2  1 
ATOM   1858 C CZ   . TYR A 1 102 ? 8.458   -2.185  -29.382 1.00 10.80  ? 118 TYR A CZ   1 
ATOM   1859 O OH   . TYR A 1 102 ? 8.282   -3.267  -30.242 0.90 12.34  ? 118 TYR A OH   1 
ATOM   1860 H H    . TYR A 1 102 ? 10.290  3.769   -26.339 1.00 9.49   ? 118 TYR A H    1 
ATOM   1861 H HA   . TYR A 1 102 ? 11.144  1.450   -27.356 1.00 10.20  ? 118 TYR A HA   1 
ATOM   1862 H HB2  . TYR A 1 102 ? 9.382   0.754   -25.890 1.00 10.38  ? 118 TYR A HB2  1 
ATOM   1863 H HB3  . TYR A 1 102 ? 8.388   1.656   -26.735 1.00 10.38  ? 118 TYR A HB3  1 
ATOM   1864 H HD1  . TYR A 1 102 ? 10.686  -0.954  -27.430 0.93 10.41  ? 118 TYR A HD1  1 
ATOM   1865 H HD2  . TYR A 1 102 ? 7.058   0.485   -28.266 0.77 10.46  ? 118 TYR A HD2  1 
ATOM   1866 H HE1  . TYR A 1 102 ? 10.335  -2.730  -28.829 0.97 11.56  ? 118 TYR A HE1  1 
ATOM   1867 H HE2  . TYR A 1 102 ? 6.679   -1.284  -29.674 0.94 12.03  ? 118 TYR A HE2  1 
ATOM   1868 H HH   . TYR A 1 102 ? 7.518   -3.236  -30.589 0.00 14.81  ? 118 TYR A HH   1 
ATOM   1869 N N    . GLY A 1 103 ? 11.107  3.329   -29.076 0.98 9.63   ? 119 GLY A N    1 
ATOM   1870 C CA   . GLY A 1 103 ? 10.944  4.357   -30.114 0.98 10.94  ? 119 GLY A CA   1 
ATOM   1871 C C    . GLY A 1 103 ? 10.737  5.690   -29.487 1.00 10.96  ? 119 GLY A C    1 
ATOM   1872 O O    . GLY A 1 103 ? 11.683  6.456   -29.282 0.91 11.64  ? 119 GLY A O    1 
ATOM   1873 H H    . GLY A 1 103 ? 11.925  3.119   -28.913 1.00 11.56  ? 119 GLY A H    1 
ATOM   1874 H HA2  . GLY A 1 103 ? 11.737  4.392   -30.673 1.00 13.13  ? 119 GLY A HA2  1 
ATOM   1875 H HA3  . GLY A 1 103 ? 10.177  4.148   -30.670 1.00 13.13  ? 119 GLY A HA3  1 
ATOM   1876 N N    . GLY A 1 104 ? 9.499   5.982   -29.095 1.00 11.29  ? 120 GLY A N    1 
ATOM   1877 C CA   . GLY A 1 104 ? 9.231   7.109   -28.239 0.87 10.73  ? 120 GLY A CA   1 
ATOM   1878 C C    . GLY A 1 104 ? 9.527   6.793   -26.787 1.00 10.20  ? 120 GLY A C    1 
ATOM   1879 O O    . GLY A 1 104 ? 9.944   5.682   -26.459 1.00 10.23  ? 120 GLY A O    1 
ATOM   1880 H H    . GLY A 1 104 ? 8.799   5.533   -29.317 1.00 13.55  ? 120 GLY A H    1 
ATOM   1881 H HA2  . GLY A 1 104 ? 9.779   7.861   -28.511 0.85 12.87  ? 120 GLY A HA2  1 
ATOM   1882 H HA3  . GLY A 1 104 ? 8.297   7.362   -28.317 0.86 12.87  ? 120 GLY A HA3  1 
ATOM   1883 N N    . ALA A 1 105 ? 9.344   7.754   -25.907 0.97 10.38  ? 121 ALA A N    1 
ATOM   1884 C CA   . ALA A 1 105 ? 9.616   7.559   -24.499 1.00 10.38  ? 121 ALA A CA   1 
ATOM   1885 C C    . ALA A 1 105 ? 8.569   8.273   -23.659 1.00 10.11  ? 121 ALA A C    1 
ATOM   1886 O O    . ALA A 1 105 ? 8.131   9.373   -24.031 1.00 11.47  ? 121 ALA A O    1 
ATOM   1887 C CB   . ALA A 1 105 ? 10.995  7.996   -24.091 0.87 11.11  ? 121 ALA A CB   1 
ATOM   1888 H H    . ALA A 1 105 ? 9.059   8.542   -26.103 0.95 12.46  ? 121 ALA A H    1 
ATOM   1889 H HA   . ALA A 1 105 ? 9.545   6.612   -24.304 0.99 12.45  ? 121 ALA A HA   1 
ATOM   1890 H HB1  . ALA A 1 105 ? 11.649  7.485   -24.592 0.96 13.33  ? 121 ALA A HB1  1 
ATOM   1891 H HB2  . ALA A 1 105 ? 11.108  7.838   -23.140 0.97 13.33  ? 121 ALA A HB2  1 
ATOM   1892 H HB3  . ALA A 1 105 ? 11.096  8.942   -24.283 0.96 13.33  ? 121 ALA A HB3  1 
ATOM   1893 N N    . ASP A 1 106 ? 8.221   7.708   -22.523 0.95 9.30   ? 122 ASP A N    1 
ATOM   1894 C CA   . ASP A 1 106 ? 7.289   8.338   -21.599 0.97 9.83   ? 122 ASP A CA   1 
ATOM   1895 C C    . ASP A 1 106 ? 7.464   7.681   -20.245 1.00 9.45   ? 122 ASP A C    1 
ATOM   1896 O O    . ASP A 1 106 ? 8.187   6.676   -20.102 0.97 9.17   ? 122 ASP A O    1 
ATOM   1897 C CB   . ASP A 1 106 ? 5.838   8.205   -22.095 1.00 11.51  ? 122 ASP A CB   1 
ATOM   1898 C CG   . ASP A 1 106 ? 4.835   9.040   -21.415 0.92 12.78  ? 122 ASP A CG   1 
ATOM   1899 O OD1  . ASP A 1 106 ? 5.183   10.081  -20.796 0.97 14.51  ? 122 ASP A OD1  1 
ATOM   1900 O OD2  . ASP A 1 106 ? 3.627   8.676   -21.495 0.88 14.25  ? 122 ASP A OD2  1 
ATOM   1901 H H    . ASP A 1 106 ? 8.513   6.946   -22.254 1.00 11.16  ? 122 ASP A H    1 
ATOM   1902 H HA   . ASP A 1 106 ? 7.501   9.281   -21.516 0.96 11.79  ? 122 ASP A HA   1 
ATOM   1903 H HB2  . ASP A 1 106 ? 5.817   8.438   -23.037 1.00 13.81  ? 122 ASP A HB2  1 
ATOM   1904 H HB3  . ASP A 1 106 ? 5.564   7.280   -21.987 1.00 13.81  ? 122 ASP A HB3  1 
ATOM   1905 N N    . TYR A 1 107 ? 6.819   8.239   -19.216 1.00 9.74   ? 123 TYR A N    1 
ATOM   1906 C CA   . TYR A 1 107 ? 6.865   7.685   -17.879 1.00 9.42   ? 123 TYR A CA   1 
ATOM   1907 C C    . TYR A 1 107 ? 5.552   7.968   -17.174 1.00 10.04  ? 123 TYR A C    1 
ATOM   1908 O O    . TYR A 1 107 ? 4.821   8.894   -17.547 0.99 11.33  ? 123 TYR A O    1 
ATOM   1909 C CB   . TYR A 1 107 ? 8.029   8.232   -17.099 1.00 10.96  ? 123 TYR A CB   1 
ATOM   1910 C CG   . TYR A 1 107 ? 7.896   9.655   -16.612 1.00 13.12  ? 123 TYR A CG   1 
ATOM   1911 C CD1  . TYR A 1 107 ? 8.237   10.711  -17.416 0.97 13.29  ? 123 TYR A CD1  1 
ATOM   1912 C CD2  . TYR A 1 107 ? 7.403   9.927   -15.340 0.95 17.99  ? 123 TYR A CD2  1 
ATOM   1913 C CE1  . TYR A 1 107 ? 8.124   12.023  -16.998 0.93 15.34  ? 123 TYR A CE1  1 
ATOM   1914 C CE2  . TYR A 1 107 ? 7.325   11.244  -14.917 0.87 19.95  ? 123 TYR A CE2  1 
ATOM   1915 C CZ   . TYR A 1 107 ? 7.710   12.270  -15.747 0.90 19.14  ? 123 TYR A CZ   1 
ATOM   1916 O OH   . TYR A 1 107 ? 7.643   13.599  -15.312 0.63 21.01  ? 123 TYR A OH   1 
ATOM   1917 H H    . TYR A 1 107 ? 6.342   8.952   -19.278 1.00 11.69  ? 123 TYR A H    1 
ATOM   1918 H HA   . TYR A 1 107 ? 6.971   6.722   -17.939 1.00 11.30  ? 123 TYR A HA   1 
ATOM   1919 H HB2  . TYR A 1 107 ? 8.163   7.672   -16.319 0.97 13.15  ? 123 TYR A HB2  1 
ATOM   1920 H HB3  . TYR A 1 107 ? 8.818   8.193   -17.663 0.89 13.15  ? 123 TYR A HB3  1 
ATOM   1921 H HD1  . TYR A 1 107 ? 8.557   10.538  -18.272 0.88 15.95  ? 123 TYR A HD1  1 
ATOM   1922 H HD2  . TYR A 1 107 ? 7.175   9.233   -14.765 0.92 21.59  ? 123 TYR A HD2  1 
ATOM   1923 H HE1  . TYR A 1 107 ? 8.396   12.719  -17.551 0.88 18.40  ? 123 TYR A HE1  1 
ATOM   1924 H HE2  . TYR A 1 107 ? 7.023   11.435  -14.059 0.88 23.94  ? 123 TYR A HE2  1 
ATOM   1925 H HH   . TYR A 1 107 ? 7.372   13.629  -14.518 0.00 25.21  ? 123 TYR A HH   1 
ATOM   1926 N N    . LYS A 1 108 ? 5.281   7.200   -16.131 1.00 9.64   ? 124 LYS A N    1 
ATOM   1927 C CA   . LYS A 1 108 ? 4.150   7.425   -15.242 1.00 10.15  ? 124 LYS A CA   1 
ATOM   1928 C C    . LYS A 1 108 ? 4.561   7.203   -13.812 1.00 9.22   ? 124 LYS A C    1 
ATOM   1929 O O    . LYS A 1 108 ? 5.533   6.528   -13.526 0.97 9.82   ? 124 LYS A O    1 
ATOM   1930 C CB   . LYS A 1 108 ? 2.945   6.525   -15.627 0.88 10.20  ? 124 LYS A CB   1 
ATOM   1931 C CG   . LYS A 1 108 ? 2.231   6.873   -16.924 0.90 12.60  ? 124 LYS A CG   1 
ATOM   1932 C CD   . LYS A 1 108 ? 1.541   8.282   -16.862 0.69 14.52  ? 124 LYS A CD   1 
ATOM   1933 C CE   . LYS A 1 108 ? 0.538   8.592   -18.005 0.44 15.54  ? 124 LYS A CE   1 
ATOM   1934 N NZ   . LYS A 1 108 ? 1.168   8.788   -19.268 0.41 17.19  ? 124 LYS A NZ   1 
ATOM   1935 H H    . LYS A 1 108 ? 5.755   6.517   -15.910 1.00 11.57  ? 124 LYS A H    1 
ATOM   1936 H HA   . LYS A 1 108 ? 3.867   8.348   -15.327 1.00 12.18  ? 124 LYS A HA   1 
ATOM   1937 H HB2  . LYS A 1 108 ? 3.261   5.612   -15.709 0.85 12.24  ? 124 LYS A HB2  1 
ATOM   1938 H HB3  . LYS A 1 108 ? 2.289   6.575   -14.914 0.88 12.24  ? 124 LYS A HB3  1 
ATOM   1939 H HG2  . LYS A 1 108 ? 2.876   6.885   -17.649 0.88 15.12  ? 124 LYS A HG2  1 
ATOM   1940 H HG3  . LYS A 1 108 ? 1.546   6.209   -17.098 0.83 15.12  ? 124 LYS A HG3  1 
ATOM   1941 H HD2  . LYS A 1 108 ? 1.055   8.348   -16.025 0.69 17.42  ? 124 LYS A HD2  1 
ATOM   1942 H HD3  . LYS A 1 108 ? 2.231   8.962   -16.889 0.73 17.42  ? 124 LYS A HD3  1 
ATOM   1943 H HE2  . LYS A 1 108 ? -0.080  7.849   -18.092 0.42 18.64  ? 124 LYS A HE2  1 
ATOM   1944 H HE3  . LYS A 1 108 ? 0.051   9.402   -17.786 0.49 18.64  ? 124 LYS A HE3  1 
ATOM   1945 H HZ1  . LYS A 1 108 ? 0.556   8.963   -19.890 0.45 20.63  ? 124 LYS A HZ1  1 
ATOM   1946 H HZ2  . LYS A 1 108 ? 1.616   8.055   -19.501 0.38 20.63  ? 124 LYS A HZ2  1 
ATOM   1947 H HZ3  . LYS A 1 108 ? 1.737   9.471   -19.221 0.46 20.63  ? 124 LYS A HZ3  1 
ATOM   1948 N N    . ARG A 1 109 ? 3.777   7.770   -12.916 0.91 9.49   ? 125 ARG A N    1 
ATOM   1949 C CA   . ARG A 1 109 ? 3.916   7.602   -11.477 1.00 10.15  ? 125 ARG A CA   1 
ATOM   1950 C C    . ARG A 1 109 ? 2.787   6.756   -10.913 1.00 9.68   ? 125 ARG A C    1 
ATOM   1951 O O    . ARG A 1 109 ? 1.621   6.879   -11.284 0.93 11.52  ? 125 ARG A O    1 
ATOM   1952 C CB   . ARG A 1 109 ? 3.887   8.969   -10.758 1.00 12.20  ? 125 ARG A CB   1 
ATOM   1953 C CG   . ARG A 1 109 ? 5.012   9.856   -11.174 1.00 16.33  ? 125 ARG A CG   1 
ATOM   1954 C CD   . ARG A 1 109 ? 4.934   11.229  -10.500 1.00 19.99  ? 125 ARG A CD   1 
ATOM   1955 N NE   . ARG A 1 109 ? 3.674   11.905  -10.786 0.30 20.42  ? 125 ARG A NE   1 
ATOM   1956 H H    . ARG A 1 109 ? 3.121   8.285   -13.127 0.87 11.38  ? 125 ARG A H    1 
ATOM   1957 H HA   . ARG A 1 109 ? 4.760   7.165   -11.279 1.00 12.18  ? 125 ARG A HA   1 
ATOM   1958 H HB2  . ARG A 1 109 ? 3.054   9.421   -10.968 1.00 14.64  ? 125 ARG A HB2  1 
ATOM   1959 H HB3  . ARG A 1 109 ? 3.955   8.826   -9.801  1.00 14.64  ? 125 ARG A HB3  1 
ATOM   1960 H HG2  . ARG A 1 109 ? 5.853   9.443   -10.924 1.00 19.59  ? 125 ARG A HG2  1 
ATOM   1961 H HG3  . ARG A 1 109 ? 4.976   9.987   -12.134 1.00 19.59  ? 125 ARG A HG3  1 
ATOM   1962 H HD2  . ARG A 1 109 ? 5.006   11.117  -9.539  1.00 23.98  ? 125 ARG A HD2  1 
ATOM   1963 H HD3  . ARG A 1 109 ? 5.657   11.787  -10.827 1.00 23.98  ? 125 ARG A HD3  1 
ATOM   1964 H HE   . ARG A 1 109 ? 3.573   12.708  -10.495 0.46 24.50  ? 125 ARG A HE   1 
ATOM   1965 N N    . ILE A 1 110 ? 3.159   5.900   -9.968  1.00 8.71   ? 126 ILE A N    1 
ATOM   1966 C CA   . ILE A 1 110 ? 2.223   5.035   -9.246  1.00 8.57   ? 126 ILE A CA   1 
ATOM   1967 C C    . ILE A 1 110 ? 2.532   5.151   -7.775  1.00 8.65   ? 126 ILE A C    1 
ATOM   1968 O O    . ILE A 1 110 ? 3.685   5.035   -7.353  1.00 9.78   ? 126 ILE A O    1 
ATOM   1969 C CB   . ILE A 1 110 ? 2.380   3.545   -9.693  1.00 8.84   ? 126 ILE A CB   1 
ATOM   1970 C CG1  . ILE A 1 110 ? 2.000   3.403   -11.157 0.90 9.39   ? 126 ILE A CG1  1 
ATOM   1971 C CG2  . ILE A 1 110 ? 1.564   2.621   -8.801  0.96 10.05  ? 126 ILE A CG2  1 
ATOM   1972 C CD1  . ILE A 1 110 ? 2.373   2.029   -11.729 0.75 9.67   ? 126 ILE A CD1  1 
ATOM   1973 H H    . ILE A 1 110 ? 3.975   5.798   -9.717  1.00 10.46  ? 126 ILE A H    1 
ATOM   1974 H HA   . ILE A 1 110 ? 1.310   5.321   -9.405  1.00 10.28  ? 126 ILE A HA   1 
ATOM   1975 H HB   . ILE A 1 110 ? 3.314   3.301   -9.601  1.00 10.61  ? 126 ILE A HB   1 
ATOM   1976 H HG12 . ILE A 1 110 ? 1.041   3.517   -11.248 0.80 11.26  ? 126 ILE A HG12 1 
ATOM   1977 H HG13 . ILE A 1 110 ? 2.467   4.080   -11.672 0.76 11.26  ? 126 ILE A HG13 1 
ATOM   1978 H HG21 . ILE A 1 110 ? 1.874   2.711   -7.886  1.00 12.06  ? 126 ILE A HG21 1 
ATOM   1979 H HG22 . ILE A 1 110 ? 1.681   1.707   -9.102  1.00 12.06  ? 126 ILE A HG22 1 
ATOM   1980 H HG23 . ILE A 1 110 ? 0.629   2.871   -8.859  0.97 12.06  ? 126 ILE A HG23 1 
ATOM   1981 H HD11 . ILE A 1 110 ? 3.332   1.904   -11.651 0.70 11.61  ? 126 ILE A HD11 1 
ATOM   1982 H HD12 . ILE A 1 110 ? 2.110   1.993   -12.662 0.68 11.61  ? 126 ILE A HD12 1 
ATOM   1983 H HD13 . ILE A 1 110 ? 1.908   1.341   -11.227 0.75 11.61  ? 126 ILE A HD13 1 
ATOM   1984 N N    . THR A 1 111 ? 1.503   5.333   -6.942  1.00 8.20   ? 127 THR A N    1 
ATOM   1985 C CA   . THR A 1 111 ? 1.659   5.344   -5.501  0.93 8.26   ? 127 THR A CA   1 
ATOM   1986 C C    . THR A 1 111 ? 1.310   3.981   -4.915  1.00 7.89   ? 127 THR A C    1 
ATOM   1987 O O    . THR A 1 111 ? 0.312   3.385   -5.333  1.00 8.79   ? 127 THR A O    1 
ATOM   1988 C CB   . THR A 1 111 ? 0.769   6.439   -4.883  0.99 9.76   ? 127 THR A CB   1 
ATOM   1989 O OG1  . THR A 1 111 ? 1.149   7.697   -5.392  0.93 12.06  ? 127 THR A OG1  1 
ATOM   1990 C CG2  . THR A 1 111 ? 0.834   6.427   -3.362  0.79 10.65  ? 127 THR A CG2  1 
ATOM   1991 H H    . THR A 1 111 ? 0.692   5.454   -7.201  1.00 9.84   ? 127 THR A H    1 
ATOM   1992 H HA   . THR A 1 111 ? 2.582   5.543   -5.281  1.00 9.92   ? 127 THR A HA   1 
ATOM   1993 H HB   . THR A 1 111 ? -0.152  6.269   -5.138  0.98 11.71  ? 127 THR A HB   1 
ATOM   1994 H HG1  . THR A 1 111 ? 0.667   8.299   -5.059  0.00 14.47  ? 127 THR A HG1  1 
ATOM   1995 H HG21 . THR A 1 111 ? 0.534   5.569   -3.025  0.79 12.78  ? 127 THR A HG21 1 
ATOM   1996 H HG22 . THR A 1 111 ? 0.266   7.125   -3.001  0.82 12.78  ? 127 THR A HG22 1 
ATOM   1997 H HG23 . THR A 1 111 ? 1.746   6.580   -3.069  0.86 12.78  ? 127 THR A HG23 1 
ATOM   1998 N N    . VAL A 1 112 ? 2.111   3.538   -3.965  0.99 8.28   ? 128 VAL A N    1 
ATOM   1999 C CA   . VAL A 1 112 ? 1.846   2.329   -3.192  1.00 8.29   ? 128 VAL A CA   1 
ATOM   2000 C C    . VAL A 1 112 ? 1.642   2.705   -1.757  1.00 8.11   ? 128 VAL A C    1 
ATOM   2001 O O    . VAL A 1 112 ? 2.442   3.451   -1.194  0.99 9.22   ? 128 VAL A O    1 
ATOM   2002 C CB   . VAL A 1 112 ? 2.986   1.301   -3.329  1.00 9.01   ? 128 VAL A CB   1 
ATOM   2003 C CG1  . VAL A 1 112 ? 2.810   0.102   -2.401  1.00 10.04  ? 128 VAL A CG1  1 
ATOM   2004 C CG2  . VAL A 1 112 ? 3.136   0.862   -4.781  0.91 8.90   ? 128 VAL A CG2  1 
ATOM   2005 H H    . VAL A 1 112 ? 2.841   3.931   -3.739  0.97 9.94   ? 128 VAL A H    1 
ATOM   2006 H HA   . VAL A 1 112 ? 1.029   1.918   -3.516  1.00 9.94   ? 128 VAL A HA   1 
ATOM   2007 H HB   . VAL A 1 112 ? 3.815   1.737   -3.077  1.00 10.81  ? 128 VAL A HB   1 
ATOM   2008 H HG11 . VAL A 1 112 ? 2.793   0.413   -1.483  1.00 12.05  ? 128 VAL A HG11 1 
ATOM   2009 H HG12 . VAL A 1 112 ? 3.554   -0.508  -2.531  1.00 12.05  ? 128 VAL A HG12 1 
ATOM   2010 H HG13 . VAL A 1 112 ? 1.976   -0.343  -2.616  1.00 12.05  ? 128 VAL A HG13 1 
ATOM   2011 H HG21 . VAL A 1 112 ? 2.304   0.459   -5.076  0.84 10.68  ? 128 VAL A HG21 1 
ATOM   2012 H HG22 . VAL A 1 112 ? 3.857   0.217   -4.842  0.88 10.68  ? 128 VAL A HG22 1 
ATOM   2013 H HG23 . VAL A 1 112 ? 3.339   1.639   -5.326  0.90 10.68  ? 128 VAL A HG23 1 
ATOM   2014 N N    . LYS A 1 113 ? 0.570   2.205   -1.149  1.00 8.45   ? 129 LYS A N    1 
ATOM   2015 C CA   . LYS A 1 113 ? 0.294   2.306   0.280   1.00 8.90   ? 129 LYS A CA   1 
ATOM   2016 C C    . LYS A 1 113 ? 0.316   0.886   0.845   1.00 8.92   ? 129 LYS A C    1 
ATOM   2017 O O    . LYS A 1 113 ? -0.232  -0.025  0.209   1.00 9.99   ? 129 LYS A O    1 
ATOM   2018 C CB   . LYS A 1 113 ? -1.094  2.941   0.475   1.00 11.54  ? 129 LYS A CB   1 
ATOM   2019 C CG   . LYS A 1 113 ? -1.523  3.104   1.866   1.00 18.08  ? 129 LYS A CG   1 
ATOM   2020 H H    . LYS A 1 113 ? -0.047  1.779   -1.571  1.00 10.13  ? 129 LYS A H    1 
ATOM   2021 H HA   . LYS A 1 113 ? 0.968   2.846   0.723   1.00 10.68  ? 129 LYS A HA   1 
ATOM   2022 H HB2  . LYS A 1 113 ? -1.089  3.821   0.067   1.00 13.85  ? 129 LYS A HB2  1 
ATOM   2023 H HB3  . LYS A 1 113 ? -1.751  2.383   0.031   1.00 13.85  ? 129 LYS A HB3  1 
ATOM   2024 H HG2  . LYS A 1 113 ? -1.966  2.291   2.157   1.00 21.70  ? 129 LYS A HG2  1 
ATOM   2025 H HG3  . LYS A 1 113 ? -0.745  3.274   2.419   1.00 21.70  ? 129 LYS A HG3  1 
ATOM   2026 N N    . VAL A 1 114 ? 0.934   0.713   2.010   1.00 9.03   ? 130 VAL A N    1 
ATOM   2027 C CA   . VAL A 1 114 ? 1.092   -0.592  2.622   0.95 9.43   ? 130 VAL A CA   1 
ATOM   2028 C C    . VAL A 1 114 ? 0.302   -0.612  3.936   1.00 10.70  ? 130 VAL A C    1 
ATOM   2029 O O    . VAL A 1 114 ? 0.559   0.192   4.834   0.97 13.14  ? 130 VAL A O    1 
ATOM   2030 C CB   . VAL A 1 114 ? 2.573   -0.937  2.873   0.92 9.75   ? 130 VAL A CB   1 
ATOM   2031 C CG1  . VAL A 1 114 ? 2.686   -2.291  3.533   0.84 10.44  ? 130 VAL A CG1  1 
ATOM   2032 C CG2  . VAL A 1 114 ? 3.351   -0.877  1.592   0.80 8.99   ? 130 VAL A CG2  1 
ATOM   2033 H H    . VAL A 1 114 ? 1.277   1.354   2.472   0.97 10.83  ? 130 VAL A H    1 
ATOM   2034 H HA   . VAL A 1 114 ? 0.719   -1.267  2.034   1.00 11.31  ? 130 VAL A HA   1 
ATOM   2035 H HB   . VAL A 1 114 ? 2.948   -0.280  3.479   0.92 11.70  ? 130 VAL A HB   1 
ATOM   2036 H HG11 . VAL A 1 114 ? 2.213   -2.270  4.380   0.88 12.53  ? 130 VAL A HG11 1 
ATOM   2037 H HG12 . VAL A 1 114 ? 3.623   -2.492  3.683   0.85 12.53  ? 130 VAL A HG12 1 
ATOM   2038 H HG13 . VAL A 1 114 ? 2.293   -2.960  2.951   0.94 12.53  ? 130 VAL A HG13 1 
ATOM   2039 H HG21 . VAL A 1 114 ? 2.976   -1.515  0.964   0.71 10.78  ? 130 VAL A HG21 1 
ATOM   2040 H HG22 . VAL A 1 114 ? 4.277   -1.097  1.775   0.73 10.78  ? 130 VAL A HG22 1 
ATOM   2041 H HG23 . VAL A 1 114 ? 3.290   0.020   1.228   0.74 10.78  ? 130 VAL A HG23 1 
ATOM   2042 N N    A ASN A 1 115 ? -0.649  -1.549  4.026   0.61 9.51   ? 131 ASN A N    1 
ATOM   2043 N N    B ASN A 1 115 ? -0.629  -1.547  4.066   0.39 11.54  ? 131 ASN A N    1 
ATOM   2044 C CA   A ASN A 1 115 ? -1.384  -1.810  5.266   0.61 10.19  ? 131 ASN A CA   1 
ATOM   2045 C CA   B ASN A 1 115 ? -1.350  -1.709  5.326   0.39 12.71  ? 131 ASN A CA   1 
ATOM   2046 C C    A ASN A 1 115 ? -0.584  -2.727  6.171   0.61 9.80   ? 131 ASN A C    1 
ATOM   2047 C C    B ASN A 1 115 ? -0.656  -2.727  6.204   0.39 10.85  ? 131 ASN A C    1 
ATOM   2048 O O    A ASN A 1 115 ? -0.146  -3.809  5.760   0.61 11.46  ? 131 ASN A O    1 
ATOM   2049 O O    B ASN A 1 115 ? -0.406  -3.866  5.798   0.39 10.88  ? 131 ASN A O    1 
ATOM   2050 C CB   A ASN A 1 115 ? -2.703  -2.529  4.941   0.61 10.70  ? 131 ASN A CB   1 
ATOM   2051 C CB   B ASN A 1 115 ? -2.804  -2.099  5.056   0.39 15.27  ? 131 ASN A CB   1 
ATOM   2052 C CG   A ASN A 1 115 ? -3.759  -1.689  4.265   0.61 11.61  ? 131 ASN A CG   1 
ATOM   2053 C CG   B ASN A 1 115 ? -3.575  -0.983  4.458   0.39 18.54  ? 131 ASN A CG   1 
ATOM   2054 O OD1  A ASN A 1 115 ? -3.834  -0.490  4.475   0.61 14.03  ? 131 ASN A OD1  1 
ATOM   2055 O OD1  B ASN A 1 115 ? -3.281  0.189   4.721   0.39 19.85  ? 131 ASN A OD1  1 
ATOM   2056 N ND2  A ASN A 1 115 ? -4.632  -2.317  3.479   0.61 12.52  ? 131 ASN A ND2  1 
ATOM   2057 N ND2  B ASN A 1 115 ? -4.616  -1.317  3.689   0.39 19.52  ? 131 ASN A ND2  1 
ATOM   2058 H H    A ASN A 1 115 ? -0.888  -2.053  3.371   0.61 11.42  ? 131 ASN A H    1 
ATOM   2059 H H    B ASN A 1 115 ? -0.863  -2.097  3.448   0.39 13.85  ? 131 ASN A H    1 
ATOM   2060 H HA   A ASN A 1 115 ? -1.573  -0.980  5.730   0.61 12.23  ? 131 ASN A HA   1 
ATOM   2061 H HA   B ASN A 1 115 ? -1.352  -0.862  5.798   0.39 15.25  ? 131 ASN A HA   1 
ATOM   2062 H HB2  A ASN A 1 115 ? -2.508  -3.276  4.354   0.61 12.84  ? 131 ASN A HB2  1 
ATOM   2063 H HB2  B ASN A 1 115 ? -2.824  -2.846  4.437   0.39 18.32  ? 131 ASN A HB2  1 
ATOM   2064 H HB3  A ASN A 1 115 ? -3.083  -2.860  5.770   0.61 12.84  ? 131 ASN A HB3  1 
ATOM   2065 H HB3  B ASN A 1 115 ? -3.228  -2.346  5.892   0.39 18.32  ? 131 ASN A HB3  1 
ATOM   2066 H HD21 A ASN A 1 115 ? -5.247  -1.870  3.078   0.61 15.02  ? 131 ASN A HD21 1 
ATOM   2067 H HD21 B ASN A 1 115 ? -5.094  -0.704  3.321   0.39 23.42  ? 131 ASN A HD21 1 
ATOM   2068 H HD22 A ASN A 1 115 ? -4.579  -3.168  3.373   0.61 15.02  ? 131 ASN A HD22 1 
ATOM   2069 H HD22 B ASN A 1 115 ? -4.809  -2.146  3.563   0.39 23.42  ? 131 ASN A HD22 1 
ATOM   2070 N N    . ALA A 1 116 ? -0.407  -2.341  7.433   0.91 10.70  ? 132 ALA A N    1 
ATOM   2071 C CA   . ALA A 1 116 ? 0.211   -3.205  8.403   0.88 10.54  ? 132 ALA A CA   1 
ATOM   2072 C C    . ALA A 1 116 ? -0.773  -4.285  8.868   1.00 11.33  ? 132 ALA A C    1 
ATOM   2073 O O    . ALA A 1 116 ? -1.993  -4.199  8.600   1.00 11.95  ? 132 ALA A O    1 
ATOM   2074 C CB   . ALA A 1 116 ? 0.759   -2.352  9.555   0.71 11.09  ? 132 ALA A CB   1 
ATOM   2075 H H    . ALA A 1 116 ? -0.617  -1.566  7.741   0.94 12.84  ? 132 ALA A H    1 
ATOM   2076 H HA   . ALA A 1 116 ? 0.963   -3.654  7.986   0.86 12.65  ? 132 ALA A HA   1 
ATOM   2077 H HB1  . ALA A 1 116 ? 1.414   -1.730  9.203   0.65 13.31  ? 132 ALA A HB1  1 
ATOM   2078 H HB2  . ALA A 1 116 ? 1.175   -2.936  10.209  0.61 13.31  ? 132 ALA A HB2  1 
ATOM   2079 H HB3  . ALA A 1 116 ? 0.026   -1.866  9.965   0.65 13.31  ? 132 ALA A HB3  1 
ATOM   2080 N N    . PRO A 1 117 ? -0.294  -5.325  9.548   1.00 12.04  ? 133 PRO A N    1 
ATOM   2081 C CA   . PRO A 1 117 ? -1.110  -6.520  9.767   1.00 13.24  ? 133 PRO A CA   1 
ATOM   2082 C C    . PRO A 1 117 ? -2.390  -6.321  10.530  1.00 12.84  ? 133 PRO A C    1 
ATOM   2083 O O    . PRO A 1 117 ? -3.337  -7.109  10.336  1.00 15.12  ? 133 PRO A O    1 
ATOM   2084 C CB   . PRO A 1 117 ? -0.144  -7.459  10.501  1.00 15.16  ? 133 PRO A CB   1 
ATOM   2085 C CG   . PRO A 1 117 ? 1.213   -7.140  9.970   1.00 15.90  ? 133 PRO A CG   1 
ATOM   2086 C CD   . PRO A 1 117 ? 1.122   -5.622  9.867   1.00 14.47  ? 133 PRO A CD   1 
ATOM   2087 H HA   . PRO A 1 117 ? -1.328  -6.918  8.910   1.00 15.89  ? 133 PRO A HA   1 
ATOM   2088 H HB2  . PRO A 1 117 ? -0.187  -7.289  11.454  1.00 18.19  ? 133 PRO A HB2  1 
ATOM   2089 H HB3  . PRO A 1 117 ? -0.378  -8.380  10.308  1.00 18.19  ? 133 PRO A HB3  1 
ATOM   2090 H HG2  . PRO A 1 117 ? 1.897   -7.414  10.601  1.00 19.08  ? 133 PRO A HG2  1 
ATOM   2091 H HG3  . PRO A 1 117 ? 1.343   -7.549  9.100   1.00 19.08  ? 133 PRO A HG3  1 
ATOM   2092 H HD2  . PRO A 1 117 ? 1.362   -5.218  10.715  1.00 17.36  ? 133 PRO A HD2  1 
ATOM   2093 H HD3  . PRO A 1 117 ? 1.696   -5.303  9.154   1.00 17.36  ? 133 PRO A HD3  1 
ATOM   2094 N N    . TYR A 1 118 ? -2.469  -5.328  11.434  1.00 12.44  ? 134 TYR A N    1 
ATOM   2095 C CA   . TYR A 1 118 ? -3.654  -5.133  12.269  0.88 12.17  ? 134 TYR A CA   1 
ATOM   2096 C C    . TYR A 1 118 ? -4.481  -3.969  11.802  0.93 13.22  ? 134 TYR A C    1 
ATOM   2097 O O    . TYR A 1 118 ? -5.435  -3.556  12.472  0.83 13.70  ? 134 TYR A O    1 
ATOM   2098 C CB   . TYR A 1 118 ? -3.250  -5.005  13.736  0.83 11.92  ? 134 TYR A CB   1 
ATOM   2099 C CG   . TYR A 1 118 ? -2.555  -6.217  14.214  0.94 12.54  ? 134 TYR A CG   1 
ATOM   2100 C CD1  . TYR A 1 118 ? -3.278  -7.381  14.453  0.84 13.15  ? 134 TYR A CD1  1 
ATOM   2101 C CD2  . TYR A 1 118 ? -1.207  -6.263  14.417  0.94 12.97  ? 134 TYR A CD2  1 
ATOM   2102 C CE1  . TYR A 1 118 ? -2.661  -8.560  14.865  0.75 13.23  ? 134 TYR A CE1  1 
ATOM   2103 C CE2  . TYR A 1 118 ? -0.585  -7.396  14.837  0.84 13.44  ? 134 TYR A CE2  1 
ATOM   2104 C CZ   . TYR A 1 118 ? -1.300  -8.567  15.047  0.94 14.06  ? 134 TYR A CZ   1 
ATOM   2105 O OH   . TYR A 1 118 ? -0.694  -9.756  15.463  0.85 17.03  ? 134 TYR A OH   1 
ATOM   2106 H H    . TYR A 1 118 ? -1.844  -4.755  11.577  1.00 14.93  ? 134 TYR A H    1 
ATOM   2107 H HA   . TYR A 1 118 ? -4.209  -5.925  12.194  0.84 14.60  ? 134 TYR A HA   1 
ATOM   2108 H HB2  . TYR A 1 118 ? -2.650  -4.250  13.838  0.76 14.30  ? 134 TYR A HB2  1 
ATOM   2109 H HB3  . TYR A 1 118 ? -4.045  -4.878  14.277  0.77 14.30  ? 134 TYR A HB3  1 
ATOM   2110 H HD1  . TYR A 1 118 ? -4.197  -7.380  14.308  0.80 15.77  ? 134 TYR A HD1  1 
ATOM   2111 H HD2  . TYR A 1 118 ? -0.699  -5.499  14.264  0.98 15.57  ? 134 TYR A HD2  1 
ATOM   2112 H HE1  . TYR A 1 118 ? -3.162  -9.330  15.011  0.79 15.88  ? 134 TYR A HE1  1 
ATOM   2113 H HE2  . TYR A 1 118 ? 0.337   -7.396  14.954  0.82 16.13  ? 134 TYR A HE2  1 
ATOM   2114 H HH   . TYR A 1 118 ? 0.135   -9.644  15.541  0.00 20.43  ? 134 TYR A HH   1 
ATOM   2115 N N    . ALA A 1 119 ? -4.197  -3.436  10.605  0.87 13.56  ? 135 ALA A N    1 
ATOM   2116 C CA   . ALA A 1 119 ? -4.925  -2.262  10.136  0.87 14.09  ? 135 ALA A CA   1 
ATOM   2117 C C    . ALA A 1 119 ? -6.428  -2.517  10.068  0.98 14.41  ? 135 ALA A C    1 
ATOM   2118 O O    . ALA A 1 119 ? -7.220  -1.683  10.482  0.73 13.87  ? 135 ALA A O    1 
ATOM   2119 C CB   . ALA A 1 119 ? -4.381  -1.798  8.785   0.87 15.68  ? 135 ALA A CB   1 
ATOM   2120 H H    . ALA A 1 119 ? -3.600  -3.731  10.061  0.88 16.28  ? 135 ALA A H    1 
ATOM   2121 H HA   . ALA A 1 119 ? -4.782  -1.541  10.769  0.83 16.90  ? 135 ALA A HA   1 
ATOM   2122 H HB1  . ALA A 1 119 ? -3.442  -1.574  8.883   0.79 18.81  ? 135 ALA A HB1  1 
ATOM   2123 H HB2  . ALA A 1 119 ? -4.879  -1.018  8.495   0.82 18.81  ? 135 ALA A HB2  1 
ATOM   2124 H HB3  . ALA A 1 119 ? -4.484  -2.516  8.140   0.85 18.81  ? 135 ALA A HB3  1 
ATOM   2125 N N    . ALA A 1 120 ? -6.837  -3.672  9.543   0.86 15.17  ? 136 ALA A N    1 
ATOM   2126 C CA   . ALA A 1 120 ? -8.264  -3.910  9.393   0.77 16.04  ? 136 ALA A CA   1 
ATOM   2127 C C    . ALA A 1 120 ? -8.959  -4.074  10.734  0.72 14.81  ? 136 ALA A C    1 
ATOM   2128 O O    . ALA A 1 120 ? -10.034 -3.486  10.970  0.61 14.79  ? 136 ALA A O    1 
ATOM   2129 C CB   . ALA A 1 120 ? -8.493  -5.111  8.474   0.61 16.49  ? 136 ALA A CB   1 
ATOM   2130 H H    . ALA A 1 120 ? -6.327  -4.310  9.276   0.83 18.21  ? 136 ALA A H    1 
ATOM   2131 H HA   . ALA A 1 120 ? -8.657  -3.137  8.958   0.79 19.24  ? 136 ALA A HA   1 
ATOM   2132 H HB1  . ALA A 1 120 ? -8.102  -4.923  7.606   0.60 19.78  ? 136 ALA A HB1  1 
ATOM   2133 H HB2  . ALA A 1 120 ? -9.448  -5.259  8.382   0.54 19.78  ? 136 ALA A HB2  1 
ATOM   2134 H HB3  . ALA A 1 120 ? -8.073  -5.892  8.865   0.56 19.78  ? 136 ALA A HB3  1 
ATOM   2135 N N    . ALA A 1 121 ? -8.354  -4.853  11.630  0.77 13.83  ? 137 ALA A N    1 
ATOM   2136 C CA   . ALA A 1 121 ? -8.964  -5.081  12.932  0.75 13.69  ? 137 ALA A CA   1 
ATOM   2137 C C    . ALA A 1 121 ? -9.096  -3.802  13.731  0.70 13.30  ? 137 ALA A C    1 
ATOM   2138 O O    . ALA A 1 121 ? -9.981  -3.672  14.601  0.55 13.69  ? 137 ALA A O    1 
ATOM   2139 C CB   . ALA A 1 121 ? -8.165  -6.112  13.722  0.62 13.61  ? 137 ALA A CB   1 
ATOM   2140 H H    . ALA A 1 121 ? -7.602  -5.253  11.509  0.72 16.60  ? 137 ALA A H    1 
ATOM   2141 H HA   . ALA A 1 121 ? -9.856  -5.439  12.799  0.72 16.42  ? 137 ALA A HA   1 
ATOM   2142 H HB1  . ALA A 1 121 ? -8.149  -6.945  13.226  0.47 16.34  ? 137 ALA A HB1  1 
ATOM   2143 H HB2  . ALA A 1 121 ? -8.590  -6.247  14.583  0.53 16.34  ? 137 ALA A HB2  1 
ATOM   2144 H HB3  . ALA A 1 121 ? -7.261  -5.782  13.846  0.59 16.34  ? 137 ALA A HB3  1 
ATOM   2145 N N    . LEU A 1 122 ? -8.160  -2.862  13.517  0.77 12.84  ? 138 LEU A N    1 
ATOM   2146 C CA   . LEU A 1 122 ? -8.138  -1.630  14.286  1.00 14.13  ? 138 LEU A CA   1 
ATOM   2147 C C    . LEU A 1 122 ? -8.785  -0.465  13.552  0.70 11.83  ? 138 LEU A C    1 
ATOM   2148 O O    . LEU A 1 122 ? -8.773  0.639   14.089  0.64 12.05  ? 138 LEU A O    1 
ATOM   2149 C CB   . LEU A 1 122 ? -6.702  -1.315  14.656  0.68 13.04  ? 138 LEU A CB   1 
ATOM   2150 C CG   . LEU A 1 122 ? -6.054  -2.279  15.615  0.68 14.72  ? 138 LEU A CG   1 
ATOM   2151 C CD1  . LEU A 1 122 ? -4.561  -2.022  15.750  0.62 14.70  ? 138 LEU A CD1  1 
ATOM   2152 C CD2  . LEU A 1 122 ? -6.705  -2.191  16.977  0.56 15.36  ? 138 LEU A CD2  1 
ATOM   2153 H H    . LEU A 1 122 ? -7.532  -2.924  12.933  0.78 15.40  ? 138 LEU A H    1 
ATOM   2154 H HA   . LEU A 1 122 ? -8.631  -1.768  15.109  1.00 16.95  ? 138 LEU A HA   1 
ATOM   2155 H HB2  . LEU A 1 122 ? -6.170  -1.310  13.845  0.73 15.65  ? 138 LEU A HB2  1 
ATOM   2156 H HB3  . LEU A 1 122 ? -6.676  -0.436  15.065  0.74 15.65  ? 138 LEU A HB3  1 
ATOM   2157 H HG   . LEU A 1 122 ? -6.173  -3.183  15.283  0.72 17.66  ? 138 LEU A HG   1 
ATOM   2158 H HD11 . LEU A 1 122 ? -4.144  -2.123  14.880  0.59 17.64  ? 138 LEU A HD11 1 
ATOM   2159 H HD12 . LEU A 1 122 ? -4.185  -2.662  16.374  0.59 17.64  ? 138 LEU A HD12 1 
ATOM   2160 H HD13 . LEU A 1 122 ? -4.425  -1.119  16.079  0.54 17.64  ? 138 LEU A HD13 1 
ATOM   2161 H HD21 . LEU A 1 122 ? -6.604  -1.288  17.317  0.38 18.43  ? 138 LEU A HD21 1 
ATOM   2162 H HD22 . LEU A 1 122 ? -6.271  -2.820  17.575  0.40 18.43  ? 138 LEU A HD22 1 
ATOM   2163 H HD23 . LEU A 1 122 ? -7.646  -2.411  16.892  0.42 18.43  ? 138 LEU A HD23 1 
ATOM   2164 N N    . GLU A 1 123 ? -9.396  -0.699  12.374  0.83 13.15  ? 139 GLU A N    1 
ATOM   2165 C CA   . GLU A 1 123 ? -9.973  0.425   11.646  0.74 14.12  ? 139 GLU A CA   1 
ATOM   2166 C C    . GLU A 1 123 ? -10.943 1.229   12.519  0.79 13.48  ? 139 GLU A C    1 
ATOM   2167 O O    . GLU A 1 123 ? -10.997 2.474   12.439  0.54 12.67  ? 139 GLU A O    1 
ATOM   2168 C CB   . GLU A 1 123 ? -10.684 -0.107  10.391  0.82 16.61  ? 139 GLU A CB   1 
ATOM   2169 C CG   . GLU A 1 123 ? -11.424 0.991   9.657   0.76 19.02  ? 139 GLU A CG   1 
ATOM   2170 C CD   . GLU A 1 123 ? -12.198 0.493   8.414   0.43 20.60  ? 139 GLU A CD   1 
ATOM   2171 O OE1  . GLU A 1 123 ? -12.064 -0.668  7.983   0.56 21.22  ? 139 GLU A OE1  1 
ATOM   2172 O OE2  . GLU A 1 123 ? -12.973 1.288   7.801   0.49 21.66  ? 139 GLU A OE2  1 
ATOM   2173 H H    . GLU A 1 123 ? -9.482  -1.467  11.996  0.92 15.78  ? 139 GLU A H    1 
ATOM   2174 H HA   . GLU A 1 123 ? -9.261  1.018   11.361  0.84 16.95  ? 139 GLU A HA   1 
ATOM   2175 H HB2  . GLU A 1 123 ? -10.026 -0.485  9.787   0.83 19.93  ? 139 GLU A HB2  1 
ATOM   2176 H HB3  . GLU A 1 123 ? -11.328 -0.785  10.651  0.86 19.93  ? 139 GLU A HB3  1 
ATOM   2177 H HG2  . GLU A 1 123 ? -12.064 1.396   10.262  0.78 22.82  ? 139 GLU A HG2  1 
ATOM   2178 H HG3  . GLU A 1 123 ? -10.783 1.656   9.361   0.77 22.82  ? 139 GLU A HG3  1 
ATOM   2179 N N    . HIS A 1 124 ? -11.716 0.549   13.360  0.80 13.70  ? 140 HIS A N    1 
ATOM   2180 C CA   . HIS A 1 124 ? -12.768 1.198   14.128  0.74 15.17  ? 140 HIS A CA   1 
ATOM   2181 C C    . HIS A 1 124 ? -12.400 1.350   15.610  0.61 15.05  ? 140 HIS A C    1 
ATOM   2182 O O    . HIS A 1 124 ? -13.290 1.405   16.472  0.56 15.28  ? 140 HIS A O    1 
ATOM   2183 C CB   . HIS A 1 124 ? -14.084 0.460   13.949  0.73 16.72  ? 140 HIS A CB   1 
ATOM   2184 C CG   . HIS A 1 124 ? -14.507 0.428   12.520  0.86 16.83  ? 140 HIS A CG   1 
ATOM   2185 N ND1  . HIS A 1 124 ? -14.995 1.538   11.882  0.78 17.24  ? 140 HIS A ND1  1 
ATOM   2186 C CD2  . HIS A 1 124 ? -14.499 -0.569  11.617  0.81 17.73  ? 140 HIS A CD2  1 
ATOM   2187 C CE1  . HIS A 1 124 ? -15.275 1.232   10.633  0.74 17.64  ? 140 HIS A CE1  1 
ATOM   2188 N NE2  . HIS A 1 124 ? -14.988 -0.041  10.452  1.00 18.75  ? 140 HIS A NE2  1 
ATOM   2189 H H    . HIS A 1 124 ? -11.649 -0.296  13.503  0.81 16.44  ? 140 HIS A H    1 
ATOM   2190 H HA   . HIS A 1 124 ? -12.892 2.092   13.773  0.73 18.21  ? 140 HIS A HA   1 
ATOM   2191 H HB2  . HIS A 1 124 ? -13.982 -0.455  14.256  0.67 20.06  ? 140 HIS A HB2  1 
ATOM   2192 H HB3  . HIS A 1 124 ? -14.775 0.909   14.460  0.71 20.06  ? 140 HIS A HB3  1 
ATOM   2193 H HD1  . HIS A 1 124 ? -15.097 2.314   12.240  0.00 20.68  ? 140 HIS A HD1  1 
ATOM   2194 H HD2  . HIS A 1 124 ? -14.220 -1.446  11.757  0.82 21.27  ? 140 HIS A HD2  1 
ATOM   2195 H HE1  . HIS A 1 124 ? -15.624 1.810   9.994   0.83 21.17  ? 140 HIS A HE1  1 
ATOM   2196 N N    . HIS A 1 125 ? -11.078 1.366   15.875  0.90 16.57  ? 141 HIS A N    1 
ATOM   2197 C CA   . HIS A 1 125 ? -10.594 1.468   17.246  0.90 17.00  ? 141 HIS A CA   1 
ATOM   2198 C C    . HIS A 1 125 ? -11.038 2.761   17.907  0.90 19.08  ? 141 HIS A C    1 
ATOM   2199 O O    . HIS A 1 125 ? -11.440 2.756   19.080  0.90 20.72  ? 141 HIS A O    1 
ATOM   2200 C CB   . HIS A 1 125 ? -9.069  1.366   17.239  0.90 16.41  ? 141 HIS A CB   1 
ATOM   2201 C CG   . HIS A 1 125 ? -8.442  1.396   18.592  0.90 15.62  ? 141 HIS A CG   1 
ATOM   2202 N ND1  . HIS A 1 125 ? -8.448  0.308   19.447  0.90 16.89  ? 141 HIS A ND1  1 
ATOM   2203 C CD2  . HIS A 1 125 ? -7.733  2.367   19.203  0.90 15.86  ? 141 HIS A CD2  1 
ATOM   2204 C CE1  . HIS A 1 125 ? -7.796  0.644   20.564  0.90 14.20  ? 141 HIS A CE1  1 
ATOM   2205 N NE2  . HIS A 1 125 ? -7.367  1.898   20.453  0.90 15.02  ? 141 HIS A NE2  1 
ATOM   2206 H H    . HIS A 1 125 ? -10.458 1.320   15.280  0.90 19.88  ? 141 HIS A H    1 
ATOM   2207 H HA   . HIS A 1 125 ? -10.945 0.727   17.764  0.90 20.40  ? 141 HIS A HA   1 
ATOM   2208 H HB2  . HIS A 1 125 ? -8.816  0.530   16.817  0.90 19.70  ? 141 HIS A HB2  1 
ATOM   2209 H HB3  . HIS A 1 125 ? -8.710  2.110   16.732  0.90 19.70  ? 141 HIS A HB3  1 
ATOM   2210 H HD2  . HIS A 1 125 ? -7.569  3.219   18.867  0.90 19.03  ? 141 HIS A HD2  1 
ATOM   2211 H HE1  . HIS A 1 125 ? -7.671  0.093   21.303  0.90 17.04  ? 141 HIS A HE1  1 
ATOM   2212 H HE2  . HIS A 1 125 ? -6.907  2.328   21.039  0.90 18.02  ? 141 HIS A HE2  1 
ATOM   2213 N N    . HIS A 1 126 ? -10.915 3.903   17.190  1.00 20.03  ? 142 HIS A N    1 
ATOM   2214 C CA   . HIS A 1 126 ? -11.220 5.179   17.799  0.81 20.54  ? 142 HIS A CA   1 
ATOM   2215 C C    . HIS A 1 126 ? -11.390 6.230   16.728  0.68 18.95  ? 142 HIS A C    1 
ATOM   2216 O O    . HIS A 1 126 ? -10.408 6.791   16.268  0.62 17.11  ? 142 HIS A O    1 
ATOM   2217 C CB   . HIS A 1 126 ? -10.121 5.566   18.785  1.00 24.84  ? 142 HIS A CB   1 
ATOM   2218 C CG   . HIS A 1 126 ? -10.238 6.967   19.291  0.53 26.78  ? 142 HIS A CG   1 
ATOM   2219 N ND1  . HIS A 1 126 ? -11.386 7.511   19.840  0.56 27.71  ? 142 HIS A ND1  1 
ATOM   2220 C CD2  . HIS A 1 126 ? -9.341  7.969   19.254  0.73 27.26  ? 142 HIS A CD2  1 
ATOM   2221 C CE1  . HIS A 1 126 ? -11.154 8.765   20.191  0.51 28.26  ? 142 HIS A CE1  1 
ATOM   2222 N NE2  . HIS A 1 126 ? -9.910  9.065   19.862  0.77 28.74  ? 142 HIS A NE2  1 
ATOM   2223 H H    . HIS A 1 126 ? -10.661 3.946   16.370  1.00 24.03  ? 142 HIS A H    1 
ATOM   2224 H HA   . HIS A 1 126 ? -12.054 5.107   18.289  0.82 24.65  ? 142 HIS A HA   1 
ATOM   2225 H HB2  . HIS A 1 126 ? -10.161 4.970   19.549  1.00 29.81  ? 142 HIS A HB2  1 
ATOM   2226 H HB3  . HIS A 1 126 ? -9.261  5.480   18.345  1.00 29.81  ? 142 HIS A HB3  1 
ATOM   2227 H HD2  . HIS A 1 126 ? -8.465  7.907   18.948  0.76 32.71  ? 142 HIS A HD2  1 
ATOM   2228 H HE1  . HIS A 1 126 ? -11.766 9.340   20.590  0.52 33.91  ? 142 HIS A HE1  1 
ATOM   2229 H HE2  . HIS A 1 126 ? -9.537  9.834   19.959  0.00 34.49  ? 142 HIS A HE2  1 
ATOM   2230 N N    . HIS A 1 127 ? -12.592 6.512   16.339  0.85 18.92  ? 143 HIS A N    1 
ATOM   2231 C CA   . HIS A 1 127 ? -12.866 7.600   15.417  1.00 18.20  ? 143 HIS A CA   1 
ATOM   2232 C C    . HIS A 1 127 ? -12.940 8.920   16.181  1.00 22.41  ? 143 HIS A C    1 
ATOM   2233 O O    . HIS A 1 127 ? -13.190 8.946   17.382  1.00 25.85  ? 143 HIS A O    1 
ATOM   2234 C CB   . HIS A 1 127 ? -14.181 7.321   14.643  1.00 17.26  ? 143 HIS A CB   1 
ATOM   2235 C CG   . HIS A 1 127 ? -14.133 6.122   13.752  0.90 17.51  ? 143 HIS A CG   1 
ATOM   2236 N ND1  . HIS A 1 127 ? -13.269 6.029   12.675  0.70 18.69  ? 143 HIS A ND1  1 
ATOM   2237 C CD2  . HIS A 1 127 ? -14.831 4.966   13.766  0.82 16.88  ? 143 HIS A CD2  1 
ATOM   2238 C CE1  . HIS A 1 127 ? -13.429 4.858   12.084  1.00 19.21  ? 143 HIS A CE1  1 
ATOM   2239 N NE2  . HIS A 1 127 ? -14.376 4.199   12.726  0.81 17.24  ? 143 HIS A NE2  1 
ATOM   2240 H H    . HIS A 1 127 ? -13.294 6.085   16.593  0.85 22.70  ? 143 HIS A H    1 
ATOM   2241 H HA   . HIS A 1 127 ? -12.143 7.663   14.773  1.00 21.83  ? 143 HIS A HA   1 
ATOM   2242 H HB2  . HIS A 1 127 ? -14.896 7.183   15.285  1.00 20.71  ? 143 HIS A HB2  1 
ATOM   2243 H HB3  . HIS A 1 127 ? -14.385 8.091   14.089  1.00 20.71  ? 143 HIS A HB3  1 
ATOM   2244 H HD2  . HIS A 1 127 ? -15.491 4.728   14.377  0.82 20.25  ? 143 HIS A HD2  1 
ATOM   2245 H HE1  . HIS A 1 127 ? -12.968 4.558   11.334  1.00 23.05  ? 143 HIS A HE1  1 
ATOM   2246 H HE2  . HIS A 1 127 ? -14.666 3.415   12.521  0.00 20.69  ? 143 HIS A HE2  1 
ATOM   2247 N N    . HIS A 1 128 ? -12.784 10.044  15.451  1.00 24.47  ? 144 HIS A N    1 
ATOM   2248 C CA   . HIS A 1 128 ? -12.824 11.394  16.026  1.00 24.32  ? 144 HIS A CA   1 
ATOM   2249 C C    . HIS A 1 128 ? -13.555 12.344  15.076  1.00 26.21  ? 144 HIS A C    1 
ATOM   2250 O O    . HIS A 1 128 ? -13.621 12.115  13.873  0.86 27.90  ? 144 HIS A O    1 
ATOM   2251 C CB   . HIS A 1 128 ? -11.389 11.878  16.333  0.69 26.31  ? 144 HIS A CB   1 
ATOM   2252 C CG   . HIS A 1 128 ? -11.315 13.057  17.261  0.73 28.28  ? 144 HIS A CG   1 
ATOM   2253 N ND1  . HIS A 1 128 ? -11.387 14.365  16.820  0.81 29.65  ? 144 HIS A ND1  1 
ATOM   2254 C CD2  . HIS A 1 128 ? -11.147 13.116  18.606  0.69 29.79  ? 144 HIS A CD2  1 
ATOM   2255 C CE1  . HIS A 1 128 ? -11.270 15.169  17.862  1.00 29.60  ? 144 HIS A CE1  1 
ATOM   2256 N NE2  . HIS A 1 128 ? -11.124 14.449  18.954  0.60 30.42  ? 144 HIS A NE2  1 
ATOM   2257 H H    . HIS A 1 128 ? -12.651 10.042  14.601  1.00 29.37  ? 144 HIS A H    1 
ATOM   2258 H HA   . HIS A 1 128 ? -13.317 11.367  16.862  1.00 29.18  ? 144 HIS A HA   1 
ATOM   2259 H HB2  . HIS A 1 128 ? -10.897 11.149  16.744  0.67 31.57  ? 144 HIS A HB2  1 
ATOM   2260 H HB3  . HIS A 1 128 ? -10.962 12.132  15.500  0.72 31.57  ? 144 HIS A HB3  1 
ATOM   2261 H HD1  . HIS A 1 128 ? -11.488 14.614  16.003  0.00 35.58  ? 144 HIS A HD1  1 
ATOM   2262 H HD2  . HIS A 1 128 ? -11.062 12.393  19.184  0.56 35.75  ? 144 HIS A HD2  1 
ATOM   2263 H HE1  . HIS A 1 128 ? -11.294 16.098  17.830  0.98 35.52  ? 144 HIS A HE1  1 
ATOM   2264 N N    . HIS A 1 129 ? -14.098 13.428  15.633  0.88 26.99  ? 145 HIS A N    1 
ATOM   2265 C CA   . HIS A 1 129 ? -14.665 14.563  14.866  0.64 30.03  ? 145 HIS A CA   1 
ATOM   2266 C C    . HIS A 1 129 ? -13.632 15.631  14.393  0.35 30.97  ? 145 HIS A C    1 
ATOM   2267 O O    . HIS A 1 129 ? -13.913 16.731  13.784  1.00 26.16  ? 145 HIS A O    1 
ATOM   2268 C CB   . HIS A 1 129 ? -15.722 15.280  15.710  1.00 31.31  ? 145 HIS A CB   1 
ATOM   2269 C CG   . HIS A 1 129 ? -16.940 14.441  15.990  0.31 32.67  ? 145 HIS A CG   1 
ATOM   2270 N ND1  . HIS A 1 129 ? -17.675 13.844  14.990  0.45 33.27  ? 145 HIS A ND1  1 
ATOM   2271 C CD2  . HIS A 1 129 ? -17.542 14.094  17.153  0.74 33.55  ? 145 HIS A CD2  1 
ATOM   2272 C CE1  . HIS A 1 129 ? -18.680 13.167  15.521  0.32 33.70  ? 145 HIS A CE1  1 
ATOM   2273 N NE2  . HIS A 1 129 ? -18.630 13.310  16.836  0.64 33.71  ? 145 HIS A NE2  1 
ATOM   2274 O OXT  . HIS A 1 129 ? -12.444 15.438  14.659  1.00 33.79  ? 145 HIS A OXT  1 
ATOM   2275 H H    . HIS A 1 129 ? -14.154 13.540  16.484  0.95 32.39  ? 145 HIS A H    1 
ATOM   2276 H HA   . HIS A 1 129 ? -15.107 14.213  14.077  0.81 36.04  ? 145 HIS A HA   1 
ATOM   2277 H HB2  . HIS A 1 129 ? -15.329 15.526  16.562  1.00 37.57  ? 145 HIS A HB2  1 
ATOM   2278 H HB3  . HIS A 1 129 ? -16.012 16.077  15.238  1.00 37.57  ? 145 HIS A HB3  1 
ATOM   2279 H HD2  . HIS A 1 129 ? -17.278 14.350  18.007  0.88 40.26  ? 145 HIS A HD2  1 
ATOM   2280 H HE1  . HIS A 1 129 ? -19.319 12.682  15.050  0.49 40.45  ? 145 HIS A HE1  1 
ATOM   2281 H HE2  . HIS A 1 129 ? -19.177 12.960  17.400  0.00 40.45  ? 145 HIS A HE2  1 
ATOM   2282 N N    . PHE B 2 1   ? 21.077  5.340   -11.923 0.99 9.91   ? 1   PHE B N    1 
ATOM   2283 C CA   . PHE B 2 1   ? 20.734  4.893   -13.264 1.00 9.34   ? 1   PHE B CA   1 
ATOM   2284 C C    . PHE B 2 1   ? 21.759  5.511   -14.208 1.00 9.17   ? 1   PHE B C    1 
ATOM   2285 O O    . PHE B 2 1   ? 21.956  6.744   -14.131 1.00 10.32  ? 1   PHE B O    1 
ATOM   2286 C CB   . PHE B 2 1   ? 19.320  5.360   -13.626 0.95 9.19   ? 1   PHE B CB   1 
ATOM   2287 C CG   . PHE B 2 1   ? 18.852  4.958   -14.999 1.00 8.52   ? 1   PHE B CG   1 
ATOM   2288 C CD1  . PHE B 2 1   ? 18.532  3.627   -15.297 0.97 9.05   ? 1   PHE B CD1  1 
ATOM   2289 C CD2  . PHE B 2 1   ? 18.737  5.914   -15.997 0.99 8.88   ? 1   PHE B CD2  1 
ATOM   2290 C CE1  . PHE B 2 1   ? 18.100  3.286   -16.558 0.94 8.54   ? 1   PHE B CE1  1 
ATOM   2291 C CE2  . PHE B 2 1   ? 18.291  5.550   -17.256 0.96 9.23   ? 1   PHE B CE2  1 
ATOM   2292 C CZ   . PHE B 2 1   ? 17.981  4.231   -17.560 1.00 9.14   ? 1   PHE B CZ   1 
ATOM   2293 H H2   . PHE B 2 1   ? 21.152  6.336   -11.774 1.00 11.89  ? 1   PHE B H2   1 
ATOM   2294 H HA   . PHE B 2 1   ? 20.786  3.797   -13.316 0.96 11.21  ? 1   PHE B HA   1 
ATOM   2295 H HB2  . PHE B 2 1   ? 18.621  4.961   -12.888 1.00 11.03  ? 1   PHE B HB2  1 
ATOM   2296 H HB3  . PHE B 2 1   ? 19.282  6.449   -13.549 1.00 11.03  ? 1   PHE B HB3  1 
ATOM   2297 H HD1  . PHE B 2 1   ? 18.619  2.866   -14.531 0.98 10.86  ? 1   PHE B HD1  1 
ATOM   2298 H HD2  . PHE B 2 1   ? 18.974  6.949   -15.785 0.98 10.65  ? 1   PHE B HD2  1 
ATOM   2299 H HE1  . PHE B 2 1   ? 17.857  2.252   -16.773 0.93 10.25  ? 1   PHE B HE1  1 
ATOM   2300 H HE2  . PHE B 2 1   ? 18.207  6.306   -18.027 1.00 11.08  ? 1   PHE B HE2  1 
ATOM   2301 H HZ   . PHE B 2 1   ? 17.640  3.954   -18.550 0.99 10.96  ? 1   PHE B HZ   1 
HETATM 2302 C C1   . MEA B 2 2   ? 22.162  3.291   -15.229 0.99 11.74  ? 2   MEA B C1   1 
HETATM 2303 N N    . MEA B 2 2   ? 22.402  4.729   -15.049 1.00 9.87   ? 2   MEA B N    1 
HETATM 2304 C CA   . MEA B 2 2   ? 23.586  5.265   -15.730 1.00 12.60  ? 2   MEA B CA   1 
HETATM 2305 C C    . MEA B 2 2   ? 23.553  4.917   -17.206 1.00 13.83  ? 2   MEA B C    1 
HETATM 2306 O O    . MEA B 2 2   ? 24.251  3.973   -17.657 0.93 17.22  ? 2   MEA B O    1 
HETATM 2307 C CB   . MEA B 2 2   ? 24.882  4.665   -15.087 0.95 14.04  ? 2   MEA B CB   1 
HETATM 2308 C CG   . MEA B 2 2   ? 24.962  5.082   -13.603 1.00 14.57  ? 2   MEA B CG   1 
HETATM 2309 C CD1  . MEA B 2 2   ? 24.452  4.302   -12.605 1.00 14.86  ? 2   MEA B CD1  1 
HETATM 2310 C CE1  . MEA B 2 2   ? 24.521  4.662   -11.247 0.83 15.13  ? 2   MEA B CE1  1 
HETATM 2311 C CZ   . MEA B 2 2   ? 25.057  5.836   -10.866 0.92 17.65  ? 2   MEA B CZ   1 
HETATM 2312 C CE2  . MEA B 2 2   ? 25.577  6.630   -11.838 0.98 18.86  ? 2   MEA B CE2  1 
HETATM 2313 C CD2  . MEA B 2 2   ? 25.551  6.274   -13.189 0.78 17.93  ? 2   MEA B CD2  1 
HETATM 2314 H HC1  . MEA B 2 2   ? 22.032  3.082   -16.259 0.99 14.09  ? 2   MEA B HC1  1 
HETATM 2315 H HC2  . MEA B 2 2   ? 22.991  2.746   -14.859 0.97 14.09  ? 2   MEA B HC2  1 
HETATM 2316 H HC3  . MEA B 2 2   ? 21.289  3.010   -14.699 0.96 14.09  ? 2   MEA B HC3  1 
HETATM 2317 H HA   . MEA B 2 2   ? 23.614  6.358   -15.620 1.00 15.12  ? 2   MEA B HA   1 
HETATM 2318 H HB1  . MEA B 2 2   ? 25.762  5.030   -15.620 1.00 16.85  ? 2   MEA B HB1  1 
HETATM 2319 H HB2  . MEA B 2 2   ? 24.863  3.576   -15.164 1.00 16.85  ? 2   MEA B HB2  1 
HETATM 2320 H HD1  . MEA B 2 2   ? 23.993  3.357   -12.869 0.92 17.83  ? 2   MEA B HD1  1 
HETATM 2321 H HE1  . MEA B 2 2   ? 24.091  4.006   -10.500 0.90 18.16  ? 2   MEA B HE1  1 
HETATM 2322 H HZ   . MEA B 2 2   ? 25.114  6.116   -9.821  0.98 21.17  ? 2   MEA B HZ   1 
HETATM 2323 H HE2  . MEA B 2 2   ? 26.039  7.568   -11.554 0.96 22.64  ? 2   MEA B HE2  1 
HETATM 2324 H HD2  . MEA B 2 2   ? 25.959  6.952   -13.927 0.96 21.52  ? 2   MEA B HD2  1 
HETATM 2325 N N    . 9KK B 2 3   ? 22.767  5.599   -18.053 1.00 12.72  ? 3   9KK B N    1 
HETATM 2326 C CE   . 9KK B 2 3   ? 19.799  0.931   -19.022 0.59 18.43  ? 3   9KK B CE   1 
HETATM 2327 C CD   . 9KK B 2 3   ? 20.099  2.158   -19.812 0.85 17.53  ? 3   9KK B CD   1 
HETATM 2328 C CG   . 9KK B 2 3   ? 21.331  2.963   -19.191 0.87 16.76  ? 3   9KK B CG   1 
HETATM 2329 C CB   . 9KK B 2 3   ? 21.475  4.386   -19.790 1.00 14.57  ? 3   9KK B CB   1 
HETATM 2330 C CA   . 9KK B 2 3   ? 22.714  5.247   -19.480 0.91 12.91  ? 3   9KK B CA   1 
HETATM 2331 C CM   . 9KK B 2 3   ? 21.906  6.694   -17.623 1.00 12.31  ? 3   9KK B CM   1 
HETATM 2332 C C    . 9KK B 2 3   ? 22.711  6.490   -20.341 0.93 13.13  ? 3   9KK B C    1 
HETATM 2333 O O    . 9KK B 2 3   ? 21.731  6.766   -21.036 1.00 13.10  ? 3   9KK B O    1 
HETATM 2334 H HE3  . 9KK B 2 3   ? 18.979  0.422   -19.458 0.93 22.12  ? 3   9KK B HE3  1 
HETATM 2335 H HE2  . 9KK B 2 3   ? 19.558  1.202   -18.028 0.92 22.12  ? 3   9KK B HE2  1 
HETATM 2336 H HE1  . 9KK B 2 3   ? 20.648  0.298   -19.020 0.93 22.12  ? 3   9KK B HE1  1 
HETATM 2337 H HD2  . 9KK B 2 3   ? 20.330  1.879   -20.842 0.97 21.04  ? 3   9KK B HD2  1 
HETATM 2338 H HD3  . 9KK B 2 3   ? 19.217  2.802   -19.830 0.95 21.04  ? 3   9KK B HD3  1 
HETATM 2339 H HG2  . 9KK B 2 3   ? 21.199  3.040   -18.110 0.99 20.11  ? 3   9KK B HG2  1 
HETATM 2340 H HG3  . 9KK B 2 3   ? 22.251  2.403   -19.372 0.98 20.11  ? 3   9KK B HG3  1 
HETATM 2341 H HB2  . 9KK B 2 3   ? 21.409  4.291   -20.876 0.98 17.49  ? 3   9KK B HB2  1 
HETATM 2342 H HB3  . 9KK B 2 3   ? 20.597  4.958   -19.482 0.98 17.49  ? 3   9KK B HB3  1 
HETATM 2343 H HA   . 9KK B 2 3   ? 23.605  4.656   -19.733 0.94 15.49  ? 3   9KK B HA   1 
HETATM 2344 H HM1  . 9KK B 2 3   ? 22.165  7.575   -18.150 0.97 14.77  ? 3   9KK B HM1  1 
HETATM 2345 H HM3  . 9KK B 2 3   ? 22.031  6.854   -16.584 1.00 14.77  ? 3   9KK B HM3  1 
HETATM 2346 H HM2  . 9KK B 2 3   ? 20.896  6.447   -17.823 1.00 14.77  ? 3   9KK B HM2  1 
HETATM 2347 N N    . SAR B 2 4   ? 23.836  7.225   -20.382 0.92 14.43  ? 4   SAR B N    1 
HETATM 2348 C CA   . SAR B 2 4   ? 23.837  8.385   -21.275 0.83 13.82  ? 4   SAR B CA   1 
HETATM 2349 C C    . SAR B 2 4   ? 22.651  9.282   -21.026 1.00 13.23  ? 4   SAR B C    1 
HETATM 2350 O O    . SAR B 2 4   ? 22.409  9.658   -19.887 0.95 13.66  ? 4   SAR B O    1 
HETATM 2351 C CN   . SAR B 2 4   ? 25.072  6.917   -19.649 0.87 15.79  ? 4   SAR B CN   1 
HETATM 2352 H HA2  . SAR B 2 4   ? 24.758  8.953   -21.127 0.96 16.58  ? 4   SAR B HA2  1 
HETATM 2353 H HA3  . SAR B 2 4   ? 23.820  8.043   -22.312 0.96 16.58  ? 4   SAR B HA3  1 
HETATM 2354 H HN1  . SAR B 2 4   ? 24.872  6.904   -18.609 1.00 18.95  ? 4   SAR B HN1  1 
HETATM 2355 H HN2  . SAR B 2 4   ? 25.434  5.969   -19.951 0.98 18.95  ? 4   SAR B HN2  1 
HETATM 2356 H HN3  . SAR B 2 4   ? 25.801  7.656   -19.860 1.00 18.95  ? 4   SAR B HN3  1 
ATOM   2357 N N    . ASP B 2 5   ? 21.962  9.695   -22.079 1.00 11.99  ? 5   ASP B N    1 
ATOM   2358 C CA   . ASP B 2 5   ? 20.845  10.636  -22.013 1.00 11.14  ? 5   ASP B CA   1 
ATOM   2359 C C    . ASP B 2 5   ? 19.502  9.947   -21.860 1.00 9.84   ? 5   ASP B C    1 
ATOM   2360 O O    . ASP B 2 5   ? 18.460  10.619  -21.842 1.00 10.17  ? 5   ASP B O    1 
ATOM   2361 C CB   . ASP B 2 5   ? 20.815  11.538  -23.212 1.00 12.68  ? 5   ASP B CB   1 
ATOM   2362 C CG   . ASP B 2 5   ? 21.897  12.598  -23.250 1.00 14.15  ? 5   ASP B CG   1 
ATOM   2363 O OD1  . ASP B 2 5   ? 21.851  13.436  -24.172 1.00 18.77  ? 5   ASP B OD1  1 
ATOM   2364 O OD2  . ASP B 2 5   ? 22.780  12.611  -22.345 0.81 13.70  ? 5   ASP B OD2  1 
ATOM   2365 H H    . ASP B 2 5   ? 22.225  9.356   -22.993 0.96 14.39  ? 5   ASP B H    1 
ATOM   2366 H HA   . ASP B 2 5   ? 20.999  11.271  -21.129 1.00 13.37  ? 5   ASP B HA   1 
ATOM   2367 H HB2  . ASP B 2 5   ? 20.899  10.924  -24.111 1.00 15.22  ? 5   ASP B HB2  1 
ATOM   2368 H HB3  . ASP B 2 5   ? 19.842  12.032  -23.251 1.00 15.22  ? 5   ASP B HB3  1 
ATOM   2369 H HD2  . ASP B 2 5   ? 23.263  11.774  -22.354 0.00 16.44  ? 5   ASP B HD2  1 
ATOM   2370 N N    . VAL B 2 6   ? 19.445  8.603   -21.734 1.00 9.51   ? 6   VAL B N    1 
ATOM   2371 C CA   . VAL B 2 6   ? 18.155  7.906   -21.679 1.00 8.84   ? 6   VAL B CA   1 
ATOM   2372 C C    . VAL B 2 6   ? 17.380  8.396   -20.479 1.00 8.05   ? 6   VAL B C    1 
ATOM   2373 O O    . VAL B 2 6   ? 17.900  8.360   -19.345 0.99 8.27   ? 6   VAL B O    1 
ATOM   2374 C CB   . VAL B 2 6   ? 18.386  6.365   -21.570 1.00 9.42   ? 6   VAL B CB   1 
ATOM   2375 C CG1  . VAL B 2 6   ? 17.053  5.674   -21.407 0.90 9.97   ? 6   VAL B CG1  1 
ATOM   2376 C CG2  . VAL B 2 6   ? 19.106  5.840   -22.793 0.94 9.51   ? 6   VAL B CG2  1 
ATOM   2377 H H    . VAL B 2 6   ? 20.293  8.056   -21.729 1.00 11.41  ? 6   VAL B H    1 
ATOM   2378 H HA   . VAL B 2 6   ? 17.587  8.119   -22.595 1.00 10.61  ? 6   VAL B HA   1 
ATOM   2379 H HB   . VAL B 2 6   ? 19.001  6.162   -20.682 1.00 11.31  ? 6   VAL B HB   1 
ATOM   2380 H HG11 . VAL B 2 6   ? 16.579  6.026   -20.528 0.97 11.96  ? 6   VAL B HG11 1 
ATOM   2381 H HG12 . VAL B 2 6   ? 16.442  5.884   -22.246 1.00 11.96  ? 6   VAL B HG12 1 
ATOM   2382 H HG13 . VAL B 2 6   ? 17.205  4.629   -21.332 0.97 11.96  ? 6   VAL B HG13 1 
ATOM   2383 H HG21 . VAL B 2 6   ? 18.526  6.038   -23.656 0.89 11.42  ? 6   VAL B HG21 1 
ATOM   2384 H HG22 . VAL B 2 6   ? 20.046  6.320   -22.882 0.94 11.42  ? 6   VAL B HG22 1 
ATOM   2385 H HG23 . VAL B 2 6   ? 19.251  4.796   -22.696 0.98 11.42  ? 6   VAL B HG23 1 
HETATM 2386 C C1   . MEA B 2 7   ? 15.468  9.057   -21.929 0.98 9.75   ? 7   MEA B C1   1 
HETATM 2387 N N    . MEA B 2 7   ? 16.117  8.870   -20.627 1.00 8.54   ? 7   MEA B N    1 
HETATM 2388 C CA   . MEA B 2 7   ? 15.309  9.265   -19.432 1.00 8.28   ? 7   MEA B CA   1 
HETATM 2389 C C    . MEA B 2 7   ? 15.929  10.445  -18.676 1.00 8.14   ? 7   MEA B C    1 
HETATM 2390 O O    . MEA B 2 7   ? 15.546  10.696  -17.527 1.00 8.62   ? 7   MEA B O    1 
HETATM 2391 C CB   . MEA B 2 7   ? 15.047  8.111   -18.452 0.99 8.17   ? 7   MEA B CB   1 
HETATM 2392 C CG   . MEA B 2 7   ? 14.462  6.868   -19.081 0.94 7.03   ? 7   MEA B CG   1 
HETATM 2393 C CD1  . MEA B 2 7   ? 13.559  6.920   -20.144 0.98 7.63   ? 7   MEA B CD1  1 
HETATM 2394 C CE1  . MEA B 2 7   ? 13.022  5.745   -20.685 1.00 7.83   ? 7   MEA B CE1  1 
HETATM 2395 C CZ   . MEA B 2 7   ? 13.420  4.507   -20.184 1.00 7.67   ? 7   MEA B CZ   1 
HETATM 2396 C CE2  . MEA B 2 7   ? 14.300  4.445   -19.150 0.99 7.51   ? 7   MEA B CE2  1 
HETATM 2397 C CD2  . MEA B 2 7   ? 14.814  5.619   -18.568 1.00 7.42   ? 7   MEA B CD2  1 
HETATM 2398 H HC1  . MEA B 2 7   ? 16.030  9.744   -22.507 1.00 11.70  ? 7   MEA B HC1  1 
HETATM 2399 H HC2  . MEA B 2 7   ? 15.417  8.128   -22.435 1.00 11.70  ? 7   MEA B HC2  1 
HETATM 2400 H HC3  . MEA B 2 7   ? 14.489  9.435   -21.785 0.97 11.70  ? 7   MEA B HC3  1 
HETATM 2401 H HA   . MEA B 2 7   ? 14.326  9.597   -19.793 1.00 9.94   ? 7   MEA B HA   1 
HETATM 2402 H HB1  . MEA B 2 7   ? 14.367  8.462   -17.673 0.99 9.80   ? 7   MEA B HB1  1 
HETATM 2403 H HB2  . MEA B 2 7   ? 15.987  7.846   -17.964 1.00 9.80   ? 7   MEA B HB2  1 
HETATM 2404 H HD1  . MEA B 2 7   ? 13.256  7.881   -20.542 1.00 9.15   ? 7   MEA B HD1  1 
HETATM 2405 H HE1  . MEA B 2 7   ? 12.333  5.797   -21.518 0.98 9.40   ? 7   MEA B HE1  1 
HETATM 2406 H HZ   . MEA B 2 7   ? 13.013  3.596   -20.605 1.00 9.20   ? 7   MEA B HZ   1 
HETATM 2407 H HE2  . MEA B 2 7   ? 14.587  3.480   -18.749 0.97 9.01   ? 7   MEA B HE2  1 
HETATM 2408 H HD2  . MEA B 2 7   ? 15.525  5.551   -17.754 1.00 8.90   ? 7   MEA B HD2  1 
ATOM   2409 N N    . TYR B 2 8   ? 16.844  11.198  -19.284 1.00 8.82   ? 8   TYR B N    1 
ATOM   2410 C CA   . TYR B 2 8   ? 17.500  12.281  -18.518 1.00 8.77   ? 8   TYR B CA   1 
ATOM   2411 C C    . TYR B 2 8   ? 16.432  13.210  -17.985 1.00 8.59   ? 8   TYR B C    1 
ATOM   2412 O O    . TYR B 2 8   ? 15.525  13.590  -18.698 0.99 9.64   ? 8   TYR B O    1 
ATOM   2413 C CB   . TYR B 2 8   ? 18.445  13.065  -19.450 0.90 8.92   ? 8   TYR B CB   1 
ATOM   2414 C CG   . TYR B 2 8   ? 19.323  14.004  -18.658 1.00 9.05   ? 8   TYR B CG   1 
ATOM   2415 C CD1  . TYR B 2 8   ? 18.910  15.333  -18.401 0.95 8.75   ? 8   TYR B CD1  1 
ATOM   2416 C CD2  . TYR B 2 8   ? 20.517  13.610  -18.151 0.96 10.11  ? 8   TYR B CD2  1 
ATOM   2417 C CE1  . TYR B 2 8   ? 19.710  16.162  -17.646 1.00 9.54   ? 8   TYR B CE1  1 
ATOM   2418 C CE2  . TYR B 2 8   ? 21.334  14.442  -17.380 0.98 10.46  ? 8   TYR B CE2  1 
ATOM   2419 C CZ   . TYR B 2 8   ? 20.912  15.738  -17.147 1.00 10.33  ? 8   TYR B CZ   1 
ATOM   2420 O OH   . TYR B 2 8   ? 21.641  16.610  -16.366 0.99 11.80  ? 8   TYR B OH   1 
ATOM   2421 H HA   . TYR B 2 8   ? 18.076  11.852  -17.686 1.00 10.52  ? 8   TYR B HA   1 
ATOM   2422 H HB2  . TYR B 2 8   ? 19.070  12.365  -20.008 1.00 10.70  ? 8   TYR B HB2  1 
ATOM   2423 H HB3  . TYR B 2 8   ? 17.856  13.637  -20.170 0.98 10.70  ? 8   TYR B HB3  1 
ATOM   2424 H HD1  . TYR B 2 8   ? 17.961  15.691  -18.780 1.00 10.50  ? 8   TYR B HD1  1 
ATOM   2425 H HD2  . TYR B 2 8   ? 20.843  12.593  -18.331 1.00 12.13  ? 8   TYR B HD2  1 
ATOM   2426 H HE1  . TYR B 2 8   ? 19.381  17.174  -17.445 1.00 11.44  ? 8   TYR B HE1  1 
ATOM   2427 H HE2  . TYR B 2 8   ? 22.277  14.085  -16.985 1.00 12.55  ? 8   TYR B HE2  1 
ATOM   2428 H HH   . TYR B 2 8   ? 22.460  16.181  -16.084 0.00 14.16  ? 8   TYR B HH   1 
HETATM 2429 N N    . SAR B 2 9   ? 16.524  13.620  -16.718 0.96 9.00   ? 9   SAR B N    1 
HETATM 2430 C CA   . SAR B 2 9   ? 15.499  14.536  -16.196 0.85 8.86   ? 9   SAR B CA   1 
HETATM 2431 C C    . SAR B 2 9   ? 14.350  13.868  -15.516 0.94 9.46   ? 9   SAR B C    1 
HETATM 2432 O O    . SAR B 2 9   ? 13.549  14.539  -14.875 0.90 11.14  ? 9   SAR B O    1 
HETATM 2433 C CN   . SAR B 2 9   ? 17.570  13.170  -15.762 0.91 9.55   ? 9   SAR B CN   1 
HETATM 2434 H HA2  . SAR B 2 9   ? 15.971  15.224  -15.491 0.91 10.63  ? 9   SAR B HA2  1 
HETATM 2435 H HA3  . SAR B 2 9   ? 15.114  15.137  -17.023 0.94 10.63  ? 9   SAR B HA3  1 
HETATM 2436 H HN1  . SAR B 2 9   ? 17.507  12.120  -15.639 1.00 11.46  ? 9   SAR B HN1  1 
HETATM 2437 H HN2  . SAR B 2 9   ? 18.526  13.425  -16.138 0.97 11.46  ? 9   SAR B HN2  1 
HETATM 2438 H HN3  . SAR B 2 9   ? 17.420  13.644  -14.827 0.99 11.46  ? 9   SAR B HN3  1 
ATOM   2439 N N    . TRP B 2 10  ? 14.213  12.515  -15.638 1.00 9.44   ? 10  TRP B N    1 
ATOM   2440 C CA   . TRP B 2 10  ? 13.060  11.816  -15.100 1.00 9.59   ? 10  TRP B CA   1 
ATOM   2441 C C    . TRP B 2 10  ? 13.365  11.013  -13.861 1.00 9.45   ? 10  TRP B C    1 
ATOM   2442 O O    . TRP B 2 10  ? 12.437  10.550  -13.190 0.99 11.46  ? 10  TRP B O    1 
ATOM   2443 C CB   . TRP B 2 10  ? 12.473  10.869  -16.137 1.00 9.76   ? 10  TRP B CB   1 
ATOM   2444 C CG   . TRP B 2 10  ? 11.886  11.545  -17.342 1.00 9.66   ? 10  TRP B CG   1 
ATOM   2445 C CD1  . TRP B 2 10  ? 11.641  12.884  -17.552 0.91 10.35  ? 10  TRP B CD1  1 
ATOM   2446 C CD2  . TRP B 2 10  ? 11.424  10.903  -18.532 1.00 9.62   ? 10  TRP B CD2  1 
ATOM   2447 N NE1  . TRP B 2 10  ? 11.051  13.103  -18.762 0.98 11.55  ? 10  TRP B NE1  1 
ATOM   2448 C CE2  . TRP B 2 10  ? 10.890  11.901  -19.386 1.00 10.44  ? 10  TRP B CE2  1 
ATOM   2449 C CE3  . TRP B 2 10  ? 11.356  9.566   -18.959 0.94 9.55   ? 10  TRP B CE3  1 
ATOM   2450 C CZ2  . TRP B 2 10  ? 10.361  11.606  -20.597 0.88 11.25  ? 10  TRP B CZ2  1 
ATOM   2451 C CZ3  . TRP B 2 10  ? 10.797  9.270   -20.169 0.96 10.62  ? 10  TRP B CZ3  1 
ATOM   2452 C CH2  . TRP B 2 10  ? 10.302  10.291  -21.010 0.92 11.40  ? 10  TRP B CH2  1 
ATOM   2453 H H    . TRP B 2 10  ? 14.896  11.984  -16.159 1.00 11.32  ? 10  TRP B H    1 
ATOM   2454 H HA   . TRP B 2 10  ? 12.293  12.563  -14.850 0.99 11.51  ? 10  TRP B HA   1 
ATOM   2455 H HB2  . TRP B 2 10  ? 13.257  10.183  -16.467 1.00 11.72  ? 10  TRP B HB2  1 
ATOM   2456 H HB3  . TRP B 2 10  ? 11.697  10.266  -15.660 0.95 11.72  ? 10  TRP B HB3  1 
ATOM   2457 H HD1  . TRP B 2 10  ? 11.882  13.666  -16.843 0.98 12.43  ? 10  TRP B HD1  1 
ATOM   2458 H HE1  . TRP B 2 10  ? 10.779  14.030  -19.148 0.93 13.86  ? 10  TRP B HE1  1 
ATOM   2459 H HE3  . TRP B 2 10  ? 11.717  8.771   -18.318 0.95 11.46  ? 10  TRP B HE3  1 
ATOM   2460 H HZ2  . TRP B 2 10  ? 9.987   12.397  -21.236 0.94 13.50  ? 10  TRP B HZ2  1 
ATOM   2461 H HZ3  . TRP B 2 10  ? 10.763  8.240   -20.504 1.00 12.74  ? 10  TRP B HZ3  1 
ATOM   2462 H HH2  . TRP B 2 10  ? 9.891   10.044  -21.981 0.97 13.67  ? 10  TRP B HH2  1 
ATOM   2463 N N    . TYR B 2 11  ? 14.652  10.746  -13.543 0.99 9.59   ? 11  TYR B N    1 
ATOM   2464 C CA   . TYR B 2 11  ? 15.047  9.881   -12.489 1.00 9.70   ? 11  TYR B CA   1 
ATOM   2465 C C    . TYR B 2 11  ? 15.935  10.593  -11.483 1.00 10.43  ? 11  TYR B C    1 
ATOM   2466 O O    . TYR B 2 11  ? 16.590  11.602  -11.784 0.90 11.28  ? 11  TYR B O    1 
ATOM   2467 C CB   . TYR B 2 11  ? 15.763  8.616   -13.031 0.96 9.63   ? 11  TYR B CB   1 
ATOM   2468 C CG   . TYR B 2 11  ? 17.029  8.917   -13.797 1.00 9.25   ? 11  TYR B CG   1 
ATOM   2469 C CD1  . TYR B 2 11  ? 16.956  9.100   -15.167 0.99 9.18   ? 11  TYR B CD1  1 
ATOM   2470 C CD2  . TYR B 2 11  ? 18.240  9.046   -13.171 0.97 10.25  ? 11  TYR B CD2  1 
ATOM   2471 C CE1  . TYR B 2 11  ? 18.072  9.406   -15.912 1.00 9.03   ? 11  TYR B CE1  1 
ATOM   2472 C CE2  . TYR B 2 11  ? 19.386  9.347   -13.912 1.00 11.13  ? 11  TYR B CE2  1 
ATOM   2473 C CZ   . TYR B 2 11  ? 19.299  9.572   -15.266 1.00 9.79   ? 11  TYR B CZ   1 
ATOM   2474 O OH   . TYR B 2 11  ? 20.451  9.862   -15.976 1.00 11.53  ? 11  TYR B OH   1 
ATOM   2475 H H    . TYR B 2 11  ? 15.386  11.142  -14.112 0.98 11.50  ? 11  TYR B H    1 
ATOM   2476 H HA   . TYR B 2 11  ? 14.137  9.551   -11.967 1.00 11.64  ? 11  TYR B HA   1 
ATOM   2477 H HB2  . TYR B 2 11  ? 16.005  7.960   -12.192 1.00 11.56  ? 11  TYR B HB2  1 
ATOM   2478 H HB3  . TYR B 2 11  ? 15.076  8.072   -13.682 1.00 11.56  ? 11  TYR B HB3  1 
ATOM   2479 H HD1  . TYR B 2 11  ? 15.996  9.013   -15.662 1.00 11.02  ? 11  TYR B HD1  1 
ATOM   2480 H HD2  . TYR B 2 11  ? 18.311  8.911   -12.099 0.91 12.29  ? 11  TYR B HD2  1 
ATOM   2481 H HE1  . TYR B 2 11  ? 17.991  9.559   -16.981 0.94 10.84  ? 11  TYR B HE1  1 
ATOM   2482 H HE2  . TYR B 2 11  ? 20.338  9.461   -13.408 0.98 13.36  ? 11  TYR B HE2  1 
ATOM   2483 H HH   . TYR B 2 11  ? 20.627  9.152   -16.609 0.00 13.84  ? 11  TYR B HH   1 
ATOM   2484 N N    . LEU B 2 12  ? 16.028  10.020  -10.290 1.00 11.46  ? 12  LEU B N    1 
ATOM   2485 C CA   . LEU B 2 12  ? 16.782  10.523  -9.147  0.99 13.43  ? 12  LEU B CA   1 
ATOM   2486 C C    . LEU B 2 12  ? 18.028  9.765   -8.828  0.97 13.79  ? 12  LEU B C    1 
ATOM   2487 O O    . LEU B 2 12  ? 18.973  10.290  -8.190  0.89 15.67  ? 12  LEU B O    1 
ATOM   2488 C CB   . LEU B 2 12  ? 15.896  10.601  -7.897  1.00 14.87  ? 12  LEU B CB   1 
ATOM   2489 C CG   . LEU B 2 12  ? 14.717  11.558  -8.011  1.00 16.77  ? 12  LEU B CG   1 
ATOM   2490 C CD1  . LEU B 2 12  ? 13.911  11.516  -6.704  0.92 19.19  ? 12  LEU B CD1  1 
ATOM   2491 C CD2  . LEU B 2 12  ? 15.091  12.990  -8.381  0.81 18.19  ? 12  LEU B CD2  1 
ATOM   2492 H H    . LEU B 2 12  ? 15.490  9.180   -10.132 1.00 13.75  ? 12  LEU B H    1 
ATOM   2493 H HA   . LEU B 2 12  ? 17.081  11.553  -9.390  0.95 16.12  ? 12  LEU B HA   1 
ATOM   2494 H HB2  . LEU B 2 12  ? 15.515  9.602   -7.675  0.99 17.84  ? 12  LEU B HB2  1 
ATOM   2495 H HB3  . LEU B 2 12  ? 16.513  10.906  -7.049  1.00 17.84  ? 12  LEU B HB3  1 
ATOM   2496 H HG   . LEU B 2 12  ? 14.064  11.176  -8.809  1.00 20.13  ? 12  LEU B HG   1 
ATOM   2497 H HD11 . LEU B 2 12  ? 13.557  10.532  -6.539  1.00 23.02  ? 12  LEU B HD11 1 
ATOM   2498 H HD12 . LEU B 2 12  ? 14.531  11.808  -5.897  1.00 23.02  ? 12  LEU B HD12 1 
ATOM   2499 H HD13 . LEU B 2 12  ? 13.088  12.180  -6.775  0.98 23.02  ? 12  LEU B HD13 1 
ATOM   2500 H HD21 . LEU B 2 12  ? 15.737  13.388  -7.642  0.95 21.83  ? 12  LEU B HD21 1 
ATOM   2501 H HD22 . LEU B 2 12  ? 15.581  12.995  -9.319  1.00 21.83  ? 12  LEU B HD22 1 
ATOM   2502 H HD23 . LEU B 2 12  ? 14.214  13.580  -8.438  0.97 21.83  ? 12  LEU B HD23 1 
HETATM 2503 N N    . CCS B 2 13  ? 18.102  8.477   -9.195  1.00 11.08  ? 13  CCS B N    1 
HETATM 2504 C CA   . CCS B 2 13  ? 19.267  7.683   -8.811  1.00 11.74  ? 13  CCS B CA   1 
HETATM 2505 C CB   . CCS B 2 13  ? 19.046  6.226   -9.135  1.00 10.78  ? 13  CCS B CB   1 
HETATM 2506 S SG   . CCS B 2 13  ? 20.280  5.125   -8.410  0.92 10.62  ? 13  CCS B SG   1 
HETATM 2507 C CD   . CCS B 2 13  ? 21.634  5.156   -9.572  0.94 10.72  ? 13  CCS B CD   1 
HETATM 2508 C CE   . CCS B 2 13  ? 21.287  4.526   -10.899 0.97 9.73   ? 13  CCS B CE   1 
HETATM 2509 O OZ1  . CCS B 2 13  ? 21.219  3.295   -10.998 0.98 9.82   ? 13  CCS B OZ1  1 
HETATM 2510 C C    . CCS B 2 13  ? 20.525  8.205   -9.521  1.00 13.94  ? 13  CCS B C    1 
HETATM 2511 O O    . CCS B 2 13  ? 20.628  8.159   -10.739 0.96 13.43  ? 13  CCS B O    1 
HETATM 2512 H H    . CCS B 2 13  ? 17.351  8.038   -9.708  0.97 13.30  ? 13  CCS B H    1 
HETATM 2513 H HA   . CCS B 2 13  ? 19.410  7.777   -7.725  1.00 14.09  ? 13  CCS B HA   1 
HETATM 2514 H HB2  . CCS B 2 13  ? 18.056  5.931   -8.780  0.96 12.94  ? 13  CCS B HB2  1 
HETATM 2515 H HB3  . CCS B 2 13  ? 19.053  6.100   -10.220 0.99 12.94  ? 13  CCS B HB3  1 
HETATM 2516 H HD2  . CCS B 2 13  ? 22.487  4.629   -9.140  0.93 12.86  ? 13  CCS B HD2  1 
HETATM 2517 H HD3  . CCS B 2 13  ? 21.938  6.192   -9.738  1.00 12.86  ? 13  CCS B HD3  1 
ATOM   2518 N N    . GLY B 2 14  ? 21.576  8.575   -8.753  0.88 18.02  ? 14  GLY B N    1 
ATOM   2519 C CA   . GLY B 2 14  ? 22.883  9.053   -9.233  1.00 22.40  ? 14  GLY B CA   1 
ATOM   2520 C C    . GLY B 2 14  ? 22.901  10.538  -9.124  0.76 28.05  ? 14  GLY B C    1 
ATOM   2521 O O    . GLY B 2 14  ? 21.937  11.168  -8.695  0.84 29.29  ? 14  GLY B O    1 
ATOM   2522 H H    . GLY B 2 14  ? 21.452  8.553   -7.751  0.97 21.62  ? 14  GLY B H    1 
ATOM   2523 H HA2  . GLY B 2 14  ? 23.684  8.623   -8.629  1.00 26.88  ? 14  GLY B HA2  1 
ATOM   2524 H HA3  . GLY B 2 14  ? 23.033  8.752   -10.272 1.00 26.88  ? 14  GLY B HA3  1 
HETATM 2525 N N    . NH2 B 2 15  ? 24.040  11.057  -9.560  0.63 29.20  ? 15  NH2 B N    1 
HETATM 2526 H HN1  . NH2 B 2 15  ? 24.772  10.452  -9.903  0.99 35.04  ? 15  NH2 B HN1  1 
HETATM 2527 H HN2  . NH2 B 2 15  ? 24.178  12.058  -9.544  0.94 35.04  ? 15  NH2 B HN2  1 
HETATM 2528 O O    . HOH C 3 .   ? 23.941  -5.992  -14.352 0.88 15.20  ? 301 HOH A O    1 
HETATM 2529 O O    . HOH C 3 .   ? 4.228   -13.597 -17.007 1.00 75.55  ? 302 HOH A O    1 
HETATM 2530 O O    . HOH C 3 .   ? 24.835  -1.999  -16.891 0.81 14.57  ? 303 HOH A O    1 
HETATM 2531 O O    . HOH C 3 .   ? 0.017   2.109   -31.674 0.50 39.32  ? 304 HOH A O    1 
HETATM 2532 O O    . HOH C 3 .   ? -2.382  2.020   4.519   0.88 75.47  ? 305 HOH A O    1 
HETATM 2533 O O    . HOH C 3 .   ? 12.324  -2.541  0.252   0.84 16.84  ? 306 HOH A O    1 
HETATM 2534 O O    A HOH C 3 .   ? 16.103  -16.298 -3.861  0.61 16.83  ? 307 HOH A O    1 
HETATM 2535 O O    B HOH C 3 .   ? 16.878  -15.182 -2.635  0.39 27.25  ? 307 HOH A O    1 
HETATM 2536 O O    . HOH C 3 .   ? 8.116   10.607  -8.613  0.95 51.98  ? 308 HOH A O    1 
HETATM 2537 O O    . HOH C 3 .   ? -3.232  9.168   -12.298 0.55 49.21  ? 309 HOH A O    1 
HETATM 2538 O O    . HOH C 3 .   ? 2.580   10.498  -19.059 1.00 61.73  ? 310 HOH A O    1 
HETATM 2539 O O    . HOH C 3 .   ? 4.545   -3.919  -33.333 0.78 48.42  ? 311 HOH A O    1 
HETATM 2540 O O    . HOH C 3 .   ? 15.177  -2.446  -31.889 0.42 54.35  ? 312 HOH A O    1 
HETATM 2541 O O    . HOH C 3 .   ? 10.893  11.407  -8.184  0.74 48.57  ? 313 HOH A O    1 
HETATM 2542 O O    A HOH C 3 .   ? -0.789  -4.944  -22.822 0.48 30.21  ? 314 HOH A O    1 
HETATM 2543 O O    B HOH C 3 .   ? -1.308  -4.956  -22.920 0.52 32.76  ? 314 HOH A O    1 
HETATM 2544 O O    . HOH C 3 .   ? 12.835  1.554   -1.794  0.91 56.21  ? 315 HOH A O    1 
HETATM 2545 O O    . HOH C 3 .   ? 5.947   -4.814  -33.638 0.64 36.36  ? 316 HOH A O    1 
HETATM 2546 O O    . HOH C 3 .   ? 7.187   -8.371  5.119   0.77 28.94  ? 317 HOH A O    1 
HETATM 2547 O O    . HOH C 3 .   ? -1.968  -6.258  6.363   0.86 25.01  ? 318 HOH A O    1 
HETATM 2548 O O    . HOH C 3 .   ? 4.379   -8.654  -29.416 0.56 25.05  ? 319 HOH A O    1 
HETATM 2549 O O    . HOH C 3 .   ? 20.574  9.933   -4.165  0.76 51.93  ? 320 HOH A O    1 
HETATM 2550 O O    . HOH C 3 .   ? -17.901 14.683  12.639  0.99 45.33  ? 321 HOH A O    1 
HETATM 2551 O O    . HOH C 3 .   ? 3.071   -13.282 -19.292 0.75 31.31  ? 322 HOH A O    1 
HETATM 2552 O O    . HOH C 3 .   ? 14.042  2.780   2.531   0.98 52.09  ? 323 HOH A O    1 
HETATM 2553 O O    . HOH C 3 .   ? 4.866   -17.088 -17.241 0.69 30.56  ? 324 HOH A O    1 
HETATM 2554 O O    . HOH C 3 .   ? -4.930  10.293  -9.392  0.92 42.45  ? 325 HOH A O    1 
HETATM 2555 O O    . HOH C 3 .   ? -0.796  0.346   -12.672 0.83 10.41  ? 326 HOH A O    1 
HETATM 2556 O O    . HOH C 3 .   ? -11.846 -3.047  8.914   0.82 28.09  ? 327 HOH A O    1 
HETATM 2557 O O    . HOH C 3 .   ? -5.492  -5.545  0.480   1.00 41.25  ? 328 HOH A O    1 
HETATM 2558 O O    . HOH C 3 .   ? 21.262  -9.074  -24.743 0.96 58.61  ? 329 HOH A O    1 
HETATM 2559 O O    . HOH C 3 .   ? 4.564   -17.000 -21.132 1.00 38.52  ? 330 HOH A O    1 
HETATM 2560 O O    . HOH C 3 .   ? 9.166   -5.577  9.806   0.51 15.29  ? 331 HOH A O    1 
HETATM 2561 O O    . HOH C 3 .   ? 1.963   8.796   -7.591  1.00 70.04  ? 332 HOH A O    1 
HETATM 2562 O O    . HOH C 3 .   ? 25.794  -3.977  -15.034 0.84 23.03  ? 333 HOH A O    1 
HETATM 2563 O O    . HOH C 3 .   ? 15.154  -4.818  -24.320 1.00 9.92   ? 334 HOH A O    1 
HETATM 2564 O O    . HOH C 3 .   ? 7.789   -9.192  9.497   0.85 26.02  ? 335 HOH A O    1 
HETATM 2565 O O    . HOH C 3 .   ? 19.931  -2.960  1.392   1.00 42.73  ? 336 HOH A O    1 
HETATM 2566 O O    . HOH C 3 .   ? -5.827  7.438   -7.340  0.87 25.52  ? 337 HOH A O    1 
HETATM 2567 O O    . HOH C 3 .   ? 10.291  -0.152  -2.636  0.98 13.44  ? 338 HOH A O    1 
HETATM 2568 O O    . HOH C 3 .   ? 20.391  -10.398 -15.812 1.00 59.97  ? 339 HOH A O    1 
HETATM 2569 O O    A HOH C 3 .   ? 9.572   8.135   -4.690  0.41 11.69  ? 340 HOH A O    1 
HETATM 2570 O O    B HOH C 3 .   ? 9.901   8.315   -5.542  0.59 25.70  ? 340 HOH A O    1 
HETATM 2571 O O    . HOH C 3 .   ? 15.320  -11.367 -11.821 0.95 16.41  ? 341 HOH A O    1 
HETATM 2572 O O    . HOH C 3 .   ? 11.315  3.967   1.958   0.68 20.46  ? 342 HOH A O    1 
HETATM 2573 O O    . HOH C 3 .   ? 2.158   -11.128 -10.676 0.71 24.56  ? 343 HOH A O    1 
HETATM 2574 O O    . HOH C 3 .   ? -3.682  -5.065  -16.258 0.79 14.25  ? 344 HOH A O    1 
HETATM 2575 O O    . HOH C 3 .   ? 15.199  -1.411  -33.231 0.99 19.01  ? 345 HOH A O    1 
HETATM 2576 O O    A HOH C 3 .   ? 8.716   6.449   -0.098  0.29 12.29  ? 346 HOH A O    1 
HETATM 2577 O O    B HOH C 3 .   ? 9.064   6.747   -0.228  0.71 31.01  ? 346 HOH A O    1 
HETATM 2578 O O    . HOH C 3 .   ? 9.896   -10.634 -7.611  0.90 26.88  ? 347 HOH A O    1 
HETATM 2579 O O    . HOH C 3 .   ? 17.176  -11.450 -15.058 0.79 17.36  ? 348 HOH A O    1 
HETATM 2580 O O    . HOH C 3 .   ? 11.216  -13.019 -4.832  0.66 34.60  ? 349 HOH A O    1 
HETATM 2581 O O    A HOH C 3 .   ? 12.795  -13.588 -2.268  0.69 27.98  ? 350 HOH A O    1 
HETATM 2582 O O    B HOH C 3 .   ? 13.511  -13.077 -1.955  0.31 72.91  ? 350 HOH A O    1 
HETATM 2583 O O    . HOH C 3 .   ? 13.055  6.882   -26.831 1.00 13.21  ? 351 HOH A O    1 
HETATM 2584 O O    . HOH C 3 .   ? -7.825  6.065   16.189  0.95 40.94  ? 352 HOH A O    1 
HETATM 2585 O O    . HOH C 3 .   ? 10.081  -10.954 5.983   0.96 47.13  ? 353 HOH A O    1 
HETATM 2586 O O    . HOH C 3 .   ? 22.539  -7.247  -22.226 0.76 31.46  ? 354 HOH A O    1 
HETATM 2587 O O    A HOH C 3 .   ? 1.402   9.868   -3.824  0.17 47.05  ? 355 HOH A O    1 
HETATM 2588 O O    B HOH C 3 .   ? 1.556   9.844   -3.743  0.83 31.02  ? 355 HOH A O    1 
HETATM 2589 O O    . HOH C 3 .   ? 14.029  -0.550  -0.480  0.76 20.95  ? 356 HOH A O    1 
HETATM 2590 O O    . HOH C 3 .   ? -2.372  -7.647  -16.397 0.69 41.45  ? 357 HOH A O    1 
HETATM 2591 O O    . HOH C 3 .   ? 6.858   2.996   -30.630 0.91 12.48  ? 358 HOH A O    1 
HETATM 2592 O O    . HOH C 3 .   ? 15.851  -11.208 -19.785 0.98 11.71  ? 359 HOH A O    1 
HETATM 2593 O O    . HOH C 3 .   ? 15.224  -10.294 -9.242  0.84 14.68  ? 360 HOH A O    1 
HETATM 2594 O O    . HOH C 3 .   ? -9.408  9.288   15.966  0.92 47.33  ? 361 HOH A O    1 
HETATM 2595 O O    . HOH C 3 .   ? 11.844  -2.599  -35.462 0.75 14.02  ? 362 HOH A O    1 
HETATM 2596 O O    A HOH C 3 .   ? 7.095   -2.584  -32.580 0.36 14.83  ? 363 HOH A O    1 
HETATM 2597 O O    B HOH C 3 .   ? 6.013   -3.022  -31.760 0.64 27.34  ? 363 HOH A O    1 
HETATM 2598 O O    . HOH C 3 .   ? 21.930  1.820   -8.793  0.99 10.23  ? 364 HOH A O    1 
HETATM 2599 O O    . HOH C 3 .   ? 0.942   -8.623  -14.307 0.41 14.68  ? 365 HOH A O    1 
HETATM 2600 O O    . HOH C 3 .   ? -3.964  -8.854  8.358   1.00 67.33  ? 366 HOH A O    1 
HETATM 2601 O O    A HOH C 3 .   ? 0.030   8.269   -12.984 0.10 31.79  ? 367 HOH A O    1 
HETATM 2602 O O    B HOH C 3 .   ? 0.328   8.354   -13.160 0.90 26.89  ? 367 HOH A O    1 
HETATM 2603 O O    A HOH C 3 .   ? 20.471  -7.500  -0.166  0.56 33.84  ? 368 HOH A O    1 
HETATM 2604 O O    B HOH C 3 .   ? 18.918  -7.167  0.720   0.44 66.06  ? 368 HOH A O    1 
HETATM 2605 O O    . HOH C 3 .   ? 21.546  -5.402  -20.540 1.00 17.06  ? 369 HOH A O    1 
HETATM 2606 O O    . HOH C 3 .   ? -6.337  1.407   -5.509  0.93 19.87  ? 370 HOH A O    1 
HETATM 2607 O O    A HOH C 3 .   ? 21.629  -5.573  -5.755  0.43 59.54  ? 371 HOH A O    1 
HETATM 2608 O O    B HOH C 3 .   ? 21.559  -5.778  -5.369  0.57 29.41  ? 371 HOH A O    1 
HETATM 2609 O O    . HOH C 3 .   ? -2.383  -3.854  -12.175 0.93 12.42  ? 372 HOH A O    1 
HETATM 2610 O O    . HOH C 3 .   ? -1.389  -5.950  -10.751 0.92 14.44  ? 373 HOH A O    1 
HETATM 2611 O O    . HOH C 3 .   ? -9.739  4.222   10.773  1.00 43.24  ? 374 HOH A O    1 
HETATM 2612 O O    . HOH C 3 .   ? 5.775   10.831  -25.412 1.00 51.18  ? 375 HOH A O    1 
HETATM 2613 O O    . HOH C 3 .   ? -21.327 13.457  16.477  1.00 81.57  ? 376 HOH A O    1 
HETATM 2614 O O    . HOH C 3 .   ? -0.766  8.102   -7.404  1.00 52.00  ? 377 HOH A O    1 
HETATM 2615 O O    . HOH C 3 .   ? -11.075 7.541   12.085  0.69 38.01  ? 378 HOH A O    1 
HETATM 2616 O O    A HOH C 3 .   ? 7.686   -10.756 -23.667 0.60 12.28  ? 379 HOH A O    1 
HETATM 2617 O O    B HOH C 3 .   ? 7.629   -11.806 -24.130 0.40 35.29  ? 379 HOH A O    1 
HETATM 2618 O O    A HOH C 3 .   ? 22.525  -7.628  -17.776 0.50 28.85  ? 380 HOH A O    1 
HETATM 2619 O O    B HOH C 3 .   ? 22.532  -7.578  -17.875 0.50 34.17  ? 380 HOH A O    1 
HETATM 2620 O O    A HOH C 3 .   ? 2.555   -10.100 -7.087  0.58 17.24  ? 381 HOH A O    1 
HETATM 2621 O O    B HOH C 3 .   ? 0.926   -9.767  -6.789  0.42 30.71  ? 381 HOH A O    1 
HETATM 2622 O O    A HOH C 3 .   ? -6.096  -3.545  -1.258  0.46 18.04  ? 382 HOH A O    1 
HETATM 2623 O O    B HOH C 3 .   ? -6.659  -3.251  -1.005  0.54 34.52  ? 382 HOH A O    1 
HETATM 2624 O O    . HOH C 3 .   ? 15.511  -6.486  1.356   0.92 28.12  ? 383 HOH A O    1 
HETATM 2625 O O    . HOH C 3 .   ? 2.129   10.979  -21.619 1.00 79.57  ? 384 HOH A O    1 
HETATM 2626 O O    . HOH C 3 .   ? 20.405  4.315   -4.938  0.95 12.61  ? 385 HOH A O    1 
HETATM 2627 O O    . HOH C 3 .   ? -5.689  -4.484  5.758   1.00 33.99  ? 386 HOH A O    1 
HETATM 2628 O O    . HOH C 3 .   ? 17.307  -2.053  -25.452 0.97 11.80  ? 387 HOH A O    1 
HETATM 2629 O O    . HOH C 3 .   ? 4.819   1.204   -30.531 0.86 13.05  ? 388 HOH A O    1 
HETATM 2630 O O    . HOH C 3 .   ? 11.047  -12.283 -0.992  0.72 21.44  ? 389 HOH A O    1 
HETATM 2631 O O    . HOH C 3 .   ? 23.229  -4.487  -5.577  0.55 38.83  ? 390 HOH A O    1 
HETATM 2632 O O    . HOH C 3 .   ? 6.906   -13.627 -16.017 0.84 21.45  ? 391 HOH A O    1 
HETATM 2633 O O    . HOH C 3 .   ? 6.899   -6.906  -17.786 1.00 9.24   ? 392 HOH A O    1 
HETATM 2634 O O    . HOH C 3 .   ? -11.172 1.748   21.638  0.81 15.51  ? 393 HOH A O    1 
HETATM 2635 O O    . HOH C 3 .   ? -15.798 2.563   16.345  0.63 16.14  ? 394 HOH A O    1 
HETATM 2636 O O    . HOH C 3 .   ? 17.458  -9.636  -7.726  1.00 13.37  ? 395 HOH A O    1 
HETATM 2637 O O    . HOH C 3 .   ? 20.677  -7.381  -7.536  0.56 11.71  ? 396 HOH A O    1 
HETATM 2638 O O    . HOH C 3 .   ? 1.972   5.920   -0.020  0.91 19.69  ? 397 HOH A O    1 
HETATM 2639 O O    . HOH C 3 .   ? 10.550  0.521   8.015   0.94 25.88  ? 398 HOH A O    1 
HETATM 2640 O O    . HOH C 3 .   ? -6.367  0.806   11.368  0.60 18.08  ? 399 HOH A O    1 
HETATM 2641 O O    . HOH C 3 .   ? 24.130  -12.043 -20.363 0.60 24.34  ? 400 HOH A O    1 
HETATM 2642 O O    . HOH C 3 .   ? 16.650  -8.999  -0.243  0.73 37.45  ? 401 HOH A O    1 
HETATM 2643 O O    . HOH C 3 .   ? -8.176  -1.350  -6.981  0.86 16.01  ? 402 HOH A O    1 
HETATM 2644 O O    . HOH C 3 .   ? 24.130  -11.249 -23.108 0.70 24.58  ? 403 HOH A O    1 
HETATM 2645 O O    . HOH C 3 .   ? -0.043  -8.141  6.804   0.98 17.88  ? 404 HOH A O    1 
HETATM 2646 O O    . HOH C 3 .   ? 10.113  -10.447 -29.584 0.76 33.95  ? 405 HOH A O    1 
HETATM 2647 O O    . HOH C 3 .   ? 6.715   3.325   5.642   0.40 20.82  ? 406 HOH A O    1 
HETATM 2648 O O    . HOH C 3 .   ? -11.239 9.809   13.134  0.68 46.05  ? 407 HOH A O    1 
HETATM 2649 O O    . HOH C 3 .   ? -4.260  -4.279  -6.680  0.88 22.74  ? 408 HOH A O    1 
HETATM 2650 O O    . HOH C 3 .   ? -13.483 3.876   8.726   0.82 37.36  ? 409 HOH A O    1 
HETATM 2651 O O    . HOH C 3 .   ? -12.053 -5.426  15.307  0.59 19.65  ? 410 HOH A O    1 
HETATM 2652 O O    . HOH C 3 .   ? 19.746  -6.313  -5.600  0.57 27.43  ? 411 HOH A O    1 
HETATM 2653 O O    . HOH C 3 .   ? 7.646   4.434   2.980   0.74 21.71  ? 412 HOH A O    1 
HETATM 2654 O O    . HOH C 3 .   ? 19.534  -12.450 -18.583 0.66 12.53  ? 413 HOH A O    1 
HETATM 2655 O O    . HOH C 3 .   ? -0.735  -3.266  12.306  0.97 13.65  ? 414 HOH A O    1 
HETATM 2656 O O    . HOH C 3 .   ? -1.698  -5.755  -20.470 0.56 16.16  ? 415 HOH A O    1 
HETATM 2657 O O    . HOH C 3 .   ? 11.251  -7.953  2.322   0.59 17.71  ? 416 HOH A O    1 
HETATM 2658 O O    . HOH C 3 .   ? 22.520  -0.985  -3.203  1.00 15.30  ? 417 HOH A O    1 
HETATM 2659 O O    . HOH C 3 .   ? -13.772 -1.260  17.337  0.55 14.72  ? 418 HOH A O    1 
HETATM 2660 O O    . HOH C 3 .   ? 6.689   12.388  -21.508 0.95 27.44  ? 419 HOH A O    1 
HETATM 2661 O O    . HOH C 3 .   ? 12.000  9.265   -29.608 0.77 20.03  ? 420 HOH A O    1 
HETATM 2662 O O    . HOH C 3 .   ? 8.604   -2.825  7.150   0.89 11.91  ? 421 HOH A O    1 
HETATM 2663 O O    . HOH C 3 .   ? -9.867  4.065   14.538  0.74 22.02  ? 422 HOH A O    1 
HETATM 2664 O O    . HOH C 3 .   ? 18.382  -3.074  -12.144 0.99 10.49  ? 423 HOH A O    1 
HETATM 2665 O O    . HOH C 3 .   ? 21.083  6.650   -1.506  0.56 26.76  ? 424 HOH A O    1 
HETATM 2666 O O    . HOH C 3 .   ? 13.453  -3.160  2.496   0.93 26.81  ? 425 HOH A O    1 
HETATM 2667 O O    . HOH C 3 .   ? -12.105 -2.291  13.049  0.78 21.92  ? 426 HOH A O    1 
HETATM 2668 O O    . HOH C 3 .   ? 1.022   -6.513  -30.055 0.79 43.16  ? 427 HOH A O    1 
HETATM 2669 O O    . HOH C 3 .   ? -5.746  4.398   -8.602  0.57 17.21  ? 428 HOH A O    1 
HETATM 2670 O O    . HOH C 3 .   ? 25.113  -5.417  -6.896  0.87 39.95  ? 429 HOH A O    1 
HETATM 2671 O O    A HOH C 3 .   ? -0.532  -7.459  -2.765  0.24 36.22  ? 430 HOH A O    1 
HETATM 2672 O O    B HOH C 3 .   ? -0.261  -7.402  -2.897  0.76 32.15  ? 430 HOH A O    1 
HETATM 2673 O O    . HOH C 3 .   ? 22.158  -9.032  -14.287 1.00 27.46  ? 431 HOH A O    1 
HETATM 2674 O O    A HOH C 3 .   ? -2.808  -3.639  -4.572  0.37 21.40  ? 432 HOH A O    1 
HETATM 2675 O O    B HOH C 3 .   ? -3.604  -4.596  -4.010  0.63 26.84  ? 432 HOH A O    1 
HETATM 2676 O O    . HOH C 3 .   ? 17.549  -10.722 -17.663 1.00 12.71  ? 433 HOH A O    1 
HETATM 2677 O O    . HOH C 3 .   ? 12.110  -4.208  7.031   0.67 16.71  ? 434 HOH A O    1 
HETATM 2678 O O    . HOH C 3 .   ? -1.322  0.218   8.448   0.98 17.08  ? 435 HOH A O    1 
HETATM 2679 O O    . HOH C 3 .   ? -2.146  -7.189  -0.754  0.83 14.53  ? 436 HOH A O    1 
HETATM 2680 O O    . HOH C 3 .   ? -5.315  -0.987  -4.687  0.99 14.38  ? 437 HOH A O    1 
HETATM 2681 O O    . HOH C 3 .   ? -2.709  -8.130  6.172   0.98 48.15  ? 438 HOH A O    1 
HETATM 2682 O O    . HOH C 3 .   ? 2.696   2.591   -31.534 0.83 19.58  ? 439 HOH A O    1 
HETATM 2683 O O    . HOH C 3 .   ? 8.060   8.140   -2.348  1.00 15.48  ? 440 HOH A O    1 
HETATM 2684 O O    . HOH C 3 .   ? 1.746   3.067   3.561   0.96 11.79  ? 441 HOH A O    1 
HETATM 2685 O O    . HOH C 3 .   ? -6.254  -6.742  10.828  0.75 18.96  ? 442 HOH A O    1 
HETATM 2686 O O    . HOH C 3 .   ? -11.153 -1.923  16.648  0.50 16.23  ? 443 HOH A O    1 
HETATM 2687 O O    . HOH C 3 .   ? 5.447   13.457  -12.553 1.00 46.84  ? 444 HOH A O    1 
HETATM 2688 O O    . HOH C 3 .   ? -0.504  -6.930  -6.952  0.99 21.91  ? 445 HOH A O    1 
HETATM 2689 O O    . HOH C 3 .   ? 13.046  -8.772  -30.719 0.80 26.58  ? 446 HOH A O    1 
HETATM 2690 O O    . HOH C 3 .   ? -7.370  -1.451  2.589   1.00 35.48  ? 447 HOH A O    1 
HETATM 2691 O O    . HOH C 3 .   ? 27.164  -8.213  -16.687 0.94 58.49  ? 448 HOH A O    1 
HETATM 2692 O O    . HOH C 3 .   ? 5.934   -7.812  -35.919 0.68 30.87  ? 449 HOH A O    1 
HETATM 2693 O O    . HOH C 3 .   ? 0.601   -11.923 -2.120  0.88 18.95  ? 450 HOH A O    1 
HETATM 2694 O O    A HOH C 3 .   ? 12.129  1.183   -0.533  0.32 11.56  ? 451 HOH A O    1 
HETATM 2695 O O    B HOH C 3 .   ? 11.885  1.235   0.311   0.68 48.64  ? 451 HOH A O    1 
HETATM 2696 O O    A HOH C 3 .   ? -4.909  -5.568  8.239   0.54 22.83  ? 452 HOH A O    1 
HETATM 2697 O O    B HOH C 3 .   ? -4.380  -4.881  7.455   0.46 32.10  ? 452 HOH A O    1 
HETATM 2698 O O    . HOH C 3 .   ? -9.670  -2.430  19.120  0.91 30.76  ? 453 HOH A O    1 
HETATM 2699 O O    . HOH C 3 .   ? 18.084  -9.654  -26.278 1.00 48.07  ? 454 HOH A O    1 
HETATM 2700 O O    . HOH C 3 .   ? 0.871   5.496   -27.608 0.93 29.15  ? 455 HOH A O    1 
HETATM 2701 O O    A HOH C 3 .   ? -3.380  5.640   -18.054 0.50 19.15  ? 456 HOH A O    1 
HETATM 2702 O O    B HOH C 3 .   ? -5.018  3.639   -18.614 0.50 23.14  ? 456 HOH A O    1 
HETATM 2703 O O    . HOH C 3 .   ? 24.177  0.603   -16.084 0.93 12.37  ? 457 HOH A O    1 
HETATM 2704 O O    . HOH C 3 .   ? -1.348  -12.182 -20.109 0.86 27.76  ? 458 HOH A O    1 
HETATM 2705 O O    . HOH C 3 .   ? -6.331  1.225   3.358   0.85 42.12  ? 459 HOH A O    1 
HETATM 2706 O O    . HOH C 3 .   ? 20.238  2.044   -6.532  1.00 10.81  ? 460 HOH A O    1 
HETATM 2707 O O    . HOH C 3 .   ? 14.894  -7.371  -31.279 1.00 45.78  ? 461 HOH A O    1 
HETATM 2708 O O    . HOH C 3 .   ? 12.176  -10.778 1.487   0.88 39.80  ? 462 HOH A O    1 
HETATM 2709 O O    . HOH C 3 .   ? 15.607  0.470   1.668   1.00 58.06  ? 463 HOH A O    1 
HETATM 2710 O O    . HOH C 3 .   ? 11.123  -6.167  8.755   0.79 40.43  ? 464 HOH A O    1 
HETATM 2711 O O    . HOH C 3 .   ? -14.748 8.211   20.066  1.00 53.34  ? 465 HOH A O    1 
HETATM 2712 O O    . HOH C 3 .   ? 2.487   11.381  -24.614 1.00 63.51  ? 466 HOH A O    1 
HETATM 2713 O O    . HOH C 3 .   ? -0.542  3.212   5.171   0.76 23.05  ? 467 HOH A O    1 
HETATM 2714 O O    A HOH C 3 .   ? 19.451  -11.585 -7.956  0.45 16.80  ? 468 HOH A O    1 
HETATM 2715 O O    B HOH C 3 .   ? 19.696  -11.236 -7.936  0.55 34.31  ? 468 HOH A O    1 
HETATM 2716 O O    A HOH C 3 .   ? 0.229   9.414   -9.749  0.62 38.19  ? 469 HOH A O    1 
HETATM 2717 O O    B HOH C 3 .   ? 1.731   11.205  -8.940  0.38 68.76  ? 469 HOH A O    1 
HETATM 2718 O O    . HOH C 3 .   ? 20.406  4.430   -2.234  1.00 56.85  ? 470 HOH A O    1 
HETATM 2719 O O    . HOH C 3 .   ? 11.358  -11.974 -7.057  0.97 41.20  ? 471 HOH A O    1 
HETATM 2720 O O    . HOH C 3 .   ? 3.609   11.689  -7.440  0.94 60.63  ? 472 HOH A O    1 
HETATM 2721 O O    . HOH C 3 .   ? 2.448   -16.410 -17.617 0.69 34.17  ? 473 HOH A O    1 
HETATM 2722 O O    . HOH C 3 .   ? 10.527  10.627  -5.373  0.50 25.24  ? 474 HOH A O    1 
HETATM 2723 O O    . HOH C 3 .   ? 3.218   -13.679 -10.905 0.70 39.02  ? 475 HOH A O    1 
HETATM 2724 O O    . HOH C 3 .   ? -7.544  -2.646  5.201   1.00 51.91  ? 476 HOH A O    1 
HETATM 2725 O O    . HOH C 3 .   ? 14.539  10.306  -3.092  1.00 30.06  ? 477 HOH A O    1 
HETATM 2726 O O    . HOH C 3 .   ? 14.846  -11.227 -0.213  0.80 64.25  ? 478 HOH A O    1 
HETATM 2727 O O    . HOH C 3 .   ? 2.184   -13.469 -6.013  0.75 53.42  ? 479 HOH A O    1 
HETATM 2728 O O    . HOH C 3 .   ? -14.608 -3.476  9.888   0.95 45.14  ? 480 HOH A O    1 
HETATM 2729 O O    . HOH C 3 .   ? 0.543   -7.929  -28.640 0.81 52.58  ? 481 HOH A O    1 
HETATM 2730 O O    . HOH C 3 .   ? -1.891  -0.799  11.277  0.44 14.22  ? 482 HOH A O    1 
HETATM 2731 O O    . HOH C 3 .   ? 19.181  -13.460 -9.794  0.82 26.32  ? 483 HOH A O    1 
HETATM 2732 O O    . HOH C 3 .   ? 13.752  -12.132 -7.901  0.74 25.13  ? 484 HOH A O    1 
HETATM 2733 O O    . HOH C 3 .   ? 19.597  -6.085  -28.151 1.00 41.23  ? 485 HOH A O    1 
HETATM 2734 O O    . HOH C 3 .   ? 17.510  -7.952  -28.133 1.00 49.72  ? 486 HOH A O    1 
HETATM 2735 O O    . HOH C 3 .   ? -4.534  -6.384  -1.620  0.95 42.57  ? 487 HOH A O    1 
HETATM 2736 O O    . HOH C 3 .   ? 13.208  -6.136  2.700   0.80 23.01  ? 488 HOH A O    1 
HETATM 2737 O O    . HOH C 3 .   ? 1.016   -13.557 -4.274  0.49 27.39  ? 489 HOH A O    1 
HETATM 2738 O O    . HOH C 3 .   ? 0.932   -11.013 -15.424 0.71 33.28  ? 490 HOH A O    1 
HETATM 2739 O O    . HOH C 3 .   ? -9.065  -4.952  17.905  0.79 30.11  ? 491 HOH A O    1 
HETATM 2740 O O    . HOH C 3 .   ? 2.848   -12.979 -15.882 0.68 45.55  ? 492 HOH A O    1 
HETATM 2741 O O    . HOH C 3 .   ? 1.429   4.703   -30.243 1.00 65.37  ? 493 HOH A O    1 
HETATM 2742 O O    A HOH C 3 .   ? -3.783  1.473   7.600   0.53 29.64  ? 494 HOH A O    1 
HETATM 2743 O O    B HOH C 3 .   ? -3.106  1.332   6.701   0.47 33.21  ? 494 HOH A O    1 
HETATM 2744 O O    A HOH C 3 .   ? -2.469  8.089   -13.851 0.45 42.65  ? 495 HOH A O    1 
HETATM 2745 O O    B HOH C 3 .   ? -1.586  8.271   -14.816 0.55 35.35  ? 495 HOH A O    1 
HETATM 2746 O O    A HOH C 3 .   ? 1.568   -0.953  -36.302 0.55 34.86  ? 496 HOH A O    1 
HETATM 2747 O O    B HOH C 3 .   ? 1.029   0.398   -35.771 0.45 40.04  ? 496 HOH A O    1 
HETATM 2748 O O    . HOH C 3 .   ? -0.938  -8.384  -11.945 0.52 19.16  ? 497 HOH A O    1 
HETATM 2749 O O    . HOH C 3 .   ? 23.889  -9.415  -9.502  0.69 31.16  ? 498 HOH A O    1 
HETATM 2750 O O    A HOH C 3 .   ? -8.437  5.935   13.082  0.46 35.29  ? 499 HOH A O    1 
HETATM 2751 O O    B HOH C 3 .   ? -9.803  6.346   12.826  0.54 37.94  ? 499 HOH A O    1 
HETATM 2752 O O    . HOH C 3 .   ? -2.653  8.416   -5.650  1.00 47.30  ? 500 HOH A O    1 
HETATM 2753 O O    . HOH C 3 .   ? 20.652  -4.584  -29.951 0.39 21.22  ? 501 HOH A O    1 
HETATM 2754 O O    . HOH C 3 .   ? 19.431  -9.305  -0.018  0.95 83.88  ? 502 HOH A O    1 
HETATM 2755 O O    . HOH C 3 .   ? 13.792  -5.823  5.500   0.56 28.95  ? 503 HOH A O    1 
HETATM 2756 O O    A HOH C 3 .   ? 5.540   5.040   4.685   0.39 20.92  ? 504 HOH A O    1 
HETATM 2757 O O    B HOH C 3 .   ? 5.541   6.113   3.369   0.61 40.70  ? 504 HOH A O    1 
HETATM 2758 O O    . HOH C 3 .   ? -7.627  2.865   -7.614  0.92 17.00  ? 505 HOH A O    1 
HETATM 2759 O O    . HOH C 3 .   ? -2.770  -6.266  -8.348  0.89 25.18  ? 506 HOH A O    1 
HETATM 2760 O O    . HOH C 3 .   ? 7.195   -15.282 -34.211 1.00 55.53  ? 507 HOH A O    1 
HETATM 2761 O O    . HOH C 3 .   ? -11.263 4.851   8.635   0.79 38.38  ? 508 HOH A O    1 
HETATM 2762 O O    . HOH C 3 .   ? 15.369  -14.378 -14.922 1.00 60.45  ? 509 HOH A O    1 
HETATM 2763 O O    . HOH C 3 .   ? -3.930  12.523  -10.241 1.00 57.68  ? 510 HOH A O    1 
HETATM 2764 O O    . HOH C 3 .   ? 3.334   8.027   -1.053  0.78 24.33  ? 511 HOH A O    1 
HETATM 2765 O O    . HOH C 3 .   ? 24.280  -8.173  -15.756 1.00 49.19  ? 512 HOH A O    1 
HETATM 2766 O O    . HOH C 3 .   ? -7.212  -2.703  -3.667  0.73 16.27  ? 513 HOH A O    1 
HETATM 2767 O O    . HOH C 3 .   ? 25.775  -11.265 -15.772 1.00 46.61  ? 514 HOH A O    1 
HETATM 2768 O O    . HOH C 3 .   ? -4.856  -2.705  -12.328 0.50 17.67  ? 515 HOH A O    1 
HETATM 2769 O O    A HOH C 3 .   ? 13.731  9.445   -27.202 0.17 61.68  ? 516 HOH A O    1 
HETATM 2770 O O    B HOH C 3 .   ? 13.935  9.639   -26.009 0.83 59.17  ? 516 HOH A O    1 
HETATM 2771 O O    . HOH C 3 .   ? -1.485  -6.225  -4.444  0.80 36.60  ? 517 HOH A O    1 
HETATM 2772 O O    . HOH C 3 .   ? 22.559  -6.962  -3.666  0.93 63.32  ? 518 HOH A O    1 
HETATM 2773 O O    . HOH C 3 .   ? 10.046  4.827   4.123   0.59 20.39  ? 519 HOH A O    1 
HETATM 2774 O O    . HOH C 3 .   ? 15.837  -2.246  3.027   0.66 37.41  ? 520 HOH A O    1 
HETATM 2775 O O    . HOH C 3 .   ? 22.479  0.701   -5.313  0.84 14.68  ? 521 HOH A O    1 
HETATM 2776 O O    . HOH C 3 .   ? 5.885   9.429   -0.782  0.55 33.63  ? 522 HOH A O    1 
HETATM 2777 O O    . HOH C 3 .   ? -7.617  5.393   -7.203  0.47 17.95  ? 523 HOH A O    1 
HETATM 2778 O O    . HOH C 3 .   ? -14.230 -3.755  14.314  0.85 32.75  ? 524 HOH A O    1 
HETATM 2779 O O    . HOH C 3 .   ? 25.326  -8.030  -7.798  1.00 50.71  ? 525 HOH A O    1 
HETATM 2780 O O    . HOH C 3 .   ? 21.684  -9.917  -7.767  0.79 26.95  ? 526 HOH A O    1 
HETATM 2781 O O    . HOH C 3 .   ? 21.262  -14.058 -0.226  0.52 106.11 ? 527 HOH A O    1 
HETATM 2782 O O    . HOH C 3 .   ? 6.537   -17.645 -15.648 0.99 43.41  ? 528 HOH A O    1 
HETATM 2783 O O    . HOH C 3 .   ? 0.444   -10.415 8.194   0.87 26.77  ? 529 HOH A O    1 
HETATM 2784 O O    . HOH C 3 .   ? -1.825  -0.967  13.212  0.57 39.79  ? 530 HOH A O    1 
HETATM 2785 O O    . HOH C 3 .   ? 23.963  -10.325 -12.018 0.77 24.84  ? 531 HOH A O    1 
HETATM 2786 O O    . HOH C 3 .   ? -2.719  -9.710  0.107   0.74 17.31  ? 532 HOH A O    1 
HETATM 2787 O O    . HOH C 3 .   ? 4.317   -14.546 -13.757 0.84 45.88  ? 533 HOH A O    1 
HETATM 2788 O O    . HOH C 3 .   ? 9.439   9.932   -3.772  0.61 29.83  ? 534 HOH A O    1 
HETATM 2789 O O    . HOH C 3 .   ? -3.969  7.335   -16.277 0.83 41.56  ? 535 HOH A O    1 
HETATM 2790 O O    . HOH C 3 .   ? 13.540  -16.567 -4.932  0.97 38.77  ? 536 HOH A O    1 
HETATM 2791 O O    . HOH C 3 .   ? 22.972  -7.531  -0.809  0.80 43.69  ? 537 HOH A O    1 
HETATM 2792 O O    . HOH C 3 .   ? -11.383 -4.758  6.564   0.96 49.98  ? 538 HOH A O    1 
HETATM 2793 O O    . HOH C 3 .   ? -1.967  -11.020 -2.288  0.39 20.27  ? 539 HOH A O    1 
HETATM 2794 O O    . HOH C 3 .   ? 17.879  -5.038  2.544   1.00 51.52  ? 540 HOH A O    1 
HETATM 2795 O O    . HOH C 3 .   ? 3.226   -19.297 -20.176 0.75 24.89  ? 541 HOH A O    1 
HETATM 2796 O O    . HOH C 3 .   ? 2.025   5.638   2.646   0.88 23.87  ? 542 HOH A O    1 
HETATM 2797 O O    . HOH C 3 .   ? 15.201  -9.212  1.600   0.94 66.03  ? 543 HOH A O    1 
HETATM 2798 O O    . HOH C 3 .   ? 0.621   -13.301 0.318   0.78 30.99  ? 544 HOH A O    1 
HETATM 2799 O O    . HOH C 3 .   ? -3.455  12.099  -7.617  1.00 71.49  ? 545 HOH A O    1 
HETATM 2800 O O    . HOH C 3 .   ? -2.525  8.477   -2.917  1.00 50.00  ? 546 HOH A O    1 
HETATM 2801 O O    . HOH C 3 .   ? 2.423   10.109  -1.771  0.42 21.57  ? 547 HOH A O    1 
HETATM 2802 O O    . HOH C 3 .   ? 7.102   10.697  -2.238  0.74 39.59  ? 548 HOH A O    1 
HETATM 2803 O O    . HOH C 3 .   ? 2.147   -2.980  12.677  1.00 9.72   ? 549 HOH A O    1 
HETATM 2804 O O    A HOH C 3 .   ? 9.733   -10.046 10.839  0.56 31.82  ? 550 HOH A O    1 
HETATM 2805 O O    B HOH C 3 .   ? 10.819  -9.518  9.649   0.44 38.32  ? 550 HOH A O    1 
HETATM 2806 O O    . HOH C 3 .   ? 6.569   12.171  -6.840  0.84 36.08  ? 551 HOH A O    1 
HETATM 2807 O O    . HOH C 3 .   ? -2.525  0.881   10.622  0.84 52.36  ? 552 HOH A O    1 
HETATM 2808 O O    . HOH C 3 .   ? 10.968  -15.852 -3.910  0.98 51.21  ? 553 HOH A O    1 
HETATM 2809 O O    . HOH C 3 .   ? 0.904   -16.765 -19.859 0.89 39.38  ? 554 HOH A O    1 
HETATM 2810 O O    . HOH C 3 .   ? 20.690  -13.896 -16.556 1.00 43.48  ? 555 HOH A O    1 
HETATM 2811 O O    . HOH C 3 .   ? 2.733   11.981  -4.499  0.66 44.31  ? 556 HOH A O    1 
HETATM 2812 O O    . HOH C 3 .   ? 6.187   -10.510 10.862  0.59 26.49  ? 557 HOH A O    1 
HETATM 2813 O O    . HOH C 3 .   ? -1.465  -11.078 2.118   1.00 33.94  ? 558 HOH A O    1 
HETATM 2814 O O    A HOH C 3 .   ? 18.986  -12.844 -14.247 0.61 42.51  ? 559 HOH A O    1 
HETATM 2815 O O    B HOH C 3 .   ? 20.466  -11.808 -14.510 0.39 25.41  ? 559 HOH A O    1 
HETATM 2816 O O    . HOH C 3 .   ? -15.875 -2.508  16.144  0.94 36.04  ? 560 HOH A O    1 
HETATM 2817 O O    . HOH C 3 .   ? -11.391 -6.891  17.730  0.77 33.10  ? 561 HOH A O    1 
HETATM 2818 O O    . HOH C 3 .   ? 16.717  12.120  -4.035  1.00 39.65  ? 562 HOH A O    1 
HETATM 2819 O O    . HOH C 3 .   ? 17.320  -13.421 -11.496 0.53 16.79  ? 563 HOH A O    1 
HETATM 2820 O O    . HOH C 3 .   ? -7.953  -1.757  0.102   0.99 30.16  ? 564 HOH A O    1 
HETATM 2821 O O    . HOH C 3 .   ? -4.346  2.128   10.315  0.87 40.05  ? 565 HOH A O    1 
HETATM 2822 O O    . HOH C 3 .   ? 12.231  11.232  -3.422  0.93 27.92  ? 566 HOH A O    1 
HETATM 2823 O O    A HOH C 3 .   ? -7.810  2.783   -4.097  0.37 19.84  ? 567 HOH A O    1 
HETATM 2824 O O    B HOH C 3 .   ? -7.637  2.857   -3.217  0.63 29.85  ? 567 HOH A O    1 
HETATM 2825 O O    . HOH C 3 .   ? -1.548  -13.863 -21.950 0.59 27.37  ? 568 HOH A O    1 
HETATM 2826 O O    A HOH C 3 .   ? 4.822   8.421   1.503   0.43 24.81  ? 569 HOH A O    1 
HETATM 2827 O O    B HOH C 3 .   ? 6.729   8.044   1.947   0.57 38.95  ? 569 HOH A O    1 
HETATM 2828 O O    . HOH C 3 .   ? -23.411 14.388  16.759  1.00 42.35  ? 570 HOH A O    1 
HETATM 2829 O O    A HOH C 3 .   ? -1.238  6.664   -0.147  0.56 29.43  ? 571 HOH A O    1 
HETATM 2830 O O    B HOH C 3 .   ? -0.368  7.448   -0.009  0.44 28.76  ? 571 HOH A O    1 
HETATM 2831 O O    . HOH C 3 .   ? 3.818   6.822   2.934   0.52 38.20  ? 572 HOH A O    1 
HETATM 2832 O O    . HOH C 3 .   ? 12.694  10.709  -31.625 0.75 22.64  ? 573 HOH A O    1 
HETATM 2833 O O    . HOH C 3 .   ? 11.989  9.510   3.694   0.93 92.44  ? 574 HOH A O    1 
HETATM 2834 O O    . HOH C 3 .   ? 17.547  -14.377 -19.471 0.86 14.89  ? 575 HOH A O    1 
HETATM 2835 O O    . HOH C 3 .   ? 11.164  10.895  -0.849  0.74 66.44  ? 576 HOH A O    1 
HETATM 2836 O O    . HOH C 3 .   ? -6.445  7.404   13.200  0.74 47.26  ? 577 HOH A O    1 
HETATM 2837 O O    . HOH C 3 .   ? 7.689   12.017  -4.625  0.83 36.09  ? 578 HOH A O    1 
HETATM 2838 O O    . HOH C 3 .   ? 27.543  -8.521  -8.388  0.98 54.75  ? 579 HOH A O    1 
HETATM 2839 O O    . HOH C 3 .   ? -6.762  3.112   1.662   0.99 57.87  ? 580 HOH A O    1 
HETATM 2840 O O    . HOH C 3 .   ? -7.850  7.229   -5.403  0.93 38.02  ? 581 HOH A O    1 
HETATM 2841 O O    . HOH C 3 .   ? 0.236   5.103   6.977   0.93 40.07  ? 582 HOH A O    1 
HETATM 2842 O O    . HOH C 3 .   ? -5.349  -10.083 0.899   0.41 22.14  ? 583 HOH A O    1 
HETATM 2843 O O    . HOH C 3 .   ? 16.574  -16.050 -11.455 0.95 49.29  ? 584 HOH A O    1 
HETATM 2844 O O    . HOH C 3 .   ? 21.676  -13.680 -10.422 0.58 33.79  ? 585 HOH A O    1 
HETATM 2845 O O    . HOH C 3 .   ? 22.675  -12.217 -12.853 1.00 49.61  ? 586 HOH A O    1 
HETATM 2846 O O    . HOH C 3 .   ? -12.042 -0.001  2.176   0.96 58.58  ? 587 HOH A O    1 
HETATM 2847 O O    A HOH C 3 .   ? -8.695  4.847   -5.306  0.26 51.62  ? 588 HOH A O    1 
HETATM 2848 O O    B HOH C 3 .   ? -8.786  4.986   -5.408  0.74 27.92  ? 588 HOH A O    1 
HETATM 2849 O O    . HOH C 3 .   ? 6.510   6.501   6.481   0.69 45.51  ? 589 HOH A O    1 
HETATM 2850 O O    . HOH C 3 .   ? 6.898   -16.350 -28.108 1.00 57.85  ? 590 HOH A O    1 
HETATM 2851 O O    . HOH C 3 .   ? 18.960  -15.715 -17.205 0.89 50.69  ? 591 HOH A O    1 
HETATM 2852 O O    . HOH C 3 .   ? 7.529   -10.240 13.246  1.00 48.94  ? 592 HOH A O    1 
HETATM 2853 O O    A HOH C 3 .   ? 22.193  -15.181 -15.788 0.45 28.11  ? 593 HOH A O    1 
HETATM 2854 O O    B HOH C 3 .   ? 23.605  -14.804 -16.817 0.55 30.98  ? 593 HOH A O    1 
HETATM 2855 O O    . HOH C 3 .   ? 7.410   8.532   4.390   0.67 36.38  ? 594 HOH A O    1 
HETATM 2856 O O    . HOH C 3 .   ? 20.002  -13.452 -12.172 0.90 48.80  ? 595 HOH A O    1 
HETATM 2857 O O    . HOH C 3 .   ? -8.768  0.547   -0.939  0.95 33.21  ? 596 HOH A O    1 
HETATM 2858 O O    . HOH C 3 .   ? 4.716   12.352  -2.233  0.96 57.35  ? 597 HOH A O    1 
HETATM 2859 O O    . HOH C 3 .   ? -8.203  3.116   -1.390  0.61 35.79  ? 598 HOH A O    1 
HETATM 2860 O O    . HOH C 3 .   ? 10.762  11.089  -33.710 1.00 45.99  ? 599 HOH A O    1 
HETATM 2861 O O    . HOH C 3 .   ? 5.724   -10.764 13.138  1.00 42.03  ? 600 HOH A O    1 
HETATM 2862 O O    . HOH C 3 .   ? 15.531  13.511  -2.130  1.00 70.38  ? 601 HOH A O    1 
HETATM 2863 O O    . HOH C 3 .   ? -6.638  4.562   -0.325  0.95 44.51  ? 602 HOH A O    1 
HETATM 2864 O O    . HOH C 3 .   ? -3.767  -12.824 -2.722  0.90 58.85  ? 603 HOH A O    1 
HETATM 2865 O O    A HOH C 3 .   ? 12.931  14.059  -3.987  0.45 30.37  ? 604 HOH A O    1 
HETATM 2866 O O    B HOH C 3 .   ? 15.226  14.405  -4.278  0.55 34.39  ? 604 HOH A O    1 
HETATM 2867 O O    . HOH C 3 .   ? -6.702  8.386   -3.007  0.83 55.59  ? 605 HOH A O    1 
HETATM 2868 O O    . HOH C 3 .   ? -4.976  12.327  13.450  0.88 37.90  ? 606 HOH A O    1 
HETATM 2869 O O    . HOH C 3 .   ? -8.169  6.219   -2.392  0.93 52.53  ? 607 HOH A O    1 
HETATM 2870 O O    . HOH C 3 .   ? -10.639 2.847   0.266   0.90 44.83  ? 608 HOH A O    1 
HETATM 2871 O O    . HOH C 3 .   ? 4.552   8.627   7.213   0.79 77.58  ? 609 HOH A O    1 
HETATM 2872 O O    . HOH D 3 .   ? 25.556  2.042   -18.272 1.00 61.38  ? 101 HOH B O    1 
HETATM 2873 O O    . HOH D 3 .   ? 20.880  12.744  -26.476 0.99 31.12  ? 102 HOH B O    1 
HETATM 2874 O O    . HOH D 3 .   ? 20.048  9.918   -18.564 1.00 10.42  ? 103 HOH B O    1 
HETATM 2875 O O    . HOH D 3 .   ? 22.542  11.194  -15.000 0.68 24.79  ? 104 HOH B O    1 
HETATM 2876 O O    . HOH D 3 .   ? 18.890  12.198  -6.310  1.00 39.81  ? 105 HOH B O    1 
HETATM 2877 O O    . HOH D 3 .   ? 16.045  14.138  -12.627 0.96 24.39  ? 106 HOH B O    1 
HETATM 2878 O O    A HOH D 3 .   ? 23.556  8.937   -13.651 0.43 23.53  ? 107 HOH B O    1 
HETATM 2879 O O    B HOH D 3 .   ? 23.121  9.034   -14.735 0.57 26.04  ? 107 HOH B O    1 
HETATM 2880 O O    A HOH D 3 .   ? 10.059  11.995  -12.883 0.37 22.81  ? 108 HOH B O    1 
HETATM 2881 O O    B HOH D 3 .   ? 9.683   11.906  -12.690 0.21 40.87  ? 108 HOH B O    1 
HETATM 2882 O O    C HOH D 3 .   ? 8.748   12.441  -11.424 0.42 24.25  ? 108 HOH B O    1 
HETATM 2883 O O    . HOH D 3 .   ? 24.627  9.821   -18.125 0.63 20.80  ? 109 HOH B O    1 
HETATM 2884 O O    . HOH D 3 .   ? 12.309  11.917  -10.694 0.90 43.84  ? 110 HOH B O    1 
HETATM 2885 O O    . HOH D 3 .   ? 22.677  8.587   -24.678 0.83 14.21  ? 111 HOH B O    1 
HETATM 2886 O O    . HOH D 3 .   ? 16.592  12.690  -22.705 0.79 14.72  ? 112 HOH B O    1 
HETATM 2887 O O    . HOH D 3 .   ? 21.287  15.845  -13.514 0.95 31.63  ? 113 HOH B O    1 
HETATM 2888 O O    . HOH D 3 .   ? 22.592  5.877   -23.793 0.62 14.30  ? 114 HOH B O    1 
HETATM 2889 O O    . HOH D 3 .   ? 19.576  12.015  -11.506 0.88 27.34  ? 115 HOH B O    1 
HETATM 2890 O O    . HOH D 3 .   ? 21.599  8.585   -5.701  1.00 30.62  ? 116 HOH B O    1 
HETATM 2891 O O    . HOH D 3 .   ? 13.109  14.443  -11.429 1.00 58.47  ? 117 HOH B O    1 
HETATM 2892 O O    . HOH D 3 .   ? 14.913  15.943  -11.489 0.82 55.76  ? 118 HOH B O    1 
HETATM 2893 O O    . HOH D 3 .   ? 25.325  8.037   -16.301 0.73 20.56  ? 119 HOH B O    1 
HETATM 2894 O O    A HOH D 3 .   ? 20.878  13.319  -13.364 0.41 48.70  ? 120 HOH B O    1 
HETATM 2895 O O    B HOH D 3 .   ? 19.749  12.732  -13.213 0.59 24.79  ? 120 HOH B O    1 
HETATM 2896 O O    . HOH D 3 .   ? 21.698  9.851   -26.977 0.75 19.20  ? 121 HOH B O    1 
HETATM 2897 O O    . HOH D 3 .   ? 18.261  13.660  -27.048 1.00 35.36  ? 122 HOH B O    1 
HETATM 2898 O O    . HOH D 3 .   ? 23.741  15.247  -12.335 0.96 54.49  ? 123 HOH B O    1 
HETATM 2899 O O    . HOH D 3 .   ? 28.180  0.888   -18.698 0.79 17.94  ? 124 HOH B O    1 
HETATM 2900 O O    A HOH D 3 .   ? 24.759  16.201  -10.753 0.43 23.89  ? 125 HOH B O    1 
HETATM 2901 O O    B HOH D 3 .   ? 25.925  17.021  -11.606 0.57 25.25  ? 125 HOH B O    1 
HETATM 2902 O O    . HOH D 3 .   ? 19.613  9.606   -28.709 0.60 21.32  ? 126 HOH B O    1 
HETATM 2903 O O    . HOH D 3 .   ? 17.092  10.733  -28.159 1.00 60.95  ? 127 HOH B O    1 
HETATM 2904 O O    . HOH D 3 .   ? 23.071  9.259   -29.084 0.55 28.63  ? 128 HOH B O    1 
HETATM 2905 O O    . HOH D 3 .   ? 15.494  16.026  -6.565  1.00 56.53  ? 129 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   . ASN A 1   ? 0.5122 0.4787 0.3529 0.0375  -0.0648 0.1042  17  ASN A N   
2    C CA  . ASN A 1   ? 0.5265 0.4705 0.3473 0.0554  -0.0649 0.1127  17  ASN A CA  
3    C C   . ASN A 1   ? 0.5668 0.4473 0.3380 0.0871  -0.0626 0.1246  17  ASN A C   
4    O O   . ASN A 1   ? 0.6172 0.4641 0.3511 0.0948  -0.0585 0.1164  17  ASN A O   
5    C CB  . ASN A 1   ? 0.5091 0.4747 0.3502 0.0446  -0.0628 0.1094  17  ASN A CB  
7    N N   . ALA A 2   ? 0.5336 0.3987 0.3137 0.1076  -0.0550 0.1466  18  ALA A N   
8    C CA  . ALA A 2   ? 0.4874 0.3594 0.2897 0.0957  -0.0220 0.1546  18  ALA A CA  
9    C C   . ALA A 2   ? 0.3979 0.3244 0.2436 0.1045  0.0050  0.1380  18  ALA A C   
10   O O   . ALA A 2   ? 0.3699 0.3282 0.2530 0.1030  0.0146  0.1472  18  ALA A O   
11   C CB  . ALA A 2   ? 0.5148 0.3607 0.3055 0.0659  -0.0197 0.1627  18  ALA A CB  
17   N N   . PHE A 3   ? 0.3626 0.2830 0.1845 0.1053  0.0626  0.1030  19  PHE A N   
18   C CA  . PHE A 3   ? 0.2947 0.2209 0.1468 0.0667  0.0454  0.0598  19  PHE A CA  
19   C C   . PHE A 3   ? 0.3079 0.2185 0.1407 0.0672  0.0476  0.0448  19  PHE A C   
20   O O   . PHE A 3   ? 0.3536 0.2442 0.1788 0.0660  0.0646  0.0192  19  PHE A O   
21   C CB  . PHE A 3   ? 0.2650 0.2079 0.1393 0.0172  0.0477  0.0293  19  PHE A CB  
22   C CG  . PHE A 3   ? 0.1995 0.1732 0.1129 -0.0066 0.0314  0.0129  19  PHE A CG  
23   C CD1 . PHE A 3   ? 0.1644 0.1903 0.0986 0.0026  0.0194  -0.0082 19  PHE A CD1 
24   C CD2 . PHE A 3   ? 0.2237 0.1747 0.1100 -0.0096 0.0351  -0.0038 19  PHE A CD2 
25   C CE1 . PHE A 3   ? 0.1683 0.1784 0.1141 0.0084  0.0035  -0.0083 19  PHE A CE1 
26   C CE2 . PHE A 3   ? 0.1665 0.2001 0.1072 -0.0098 0.0212  0.0016  19  PHE A CE2 
27   C CZ  . PHE A 3   ? 0.1528 0.1697 0.1083 0.0035  0.0177  -0.0011 19  PHE A CZ  
37   N N   A THR A 4   ? 0.2600 0.2120 0.1114 0.0697  0.0254  0.0622  20  THR A N   
38   N N   B THR A 4   ? 0.2971 0.2399 0.1544 0.0659  0.0510  0.0497  20  THR A N   
39   C CA  A THR A 4   ? 0.2827 0.1974 0.1169 0.1015  0.0322  0.0503  20  THR A CA  
40   C CA  B THR A 4   ? 0.3075 0.2490 0.1706 0.0722  0.0431  0.0500  20  THR A CA  
41   C C   A THR A 4   ? 0.2924 0.1780 0.1008 0.0890  0.0412  0.0331  20  THR A C   
42   C C   B THR A 4   ? 0.2971 0.2097 0.1426 0.0721  0.0455  0.0418  20  THR A C   
43   O O   A THR A 4   ? 0.3260 0.2160 0.0986 0.0803  0.0031  0.0256  20  THR A O   
44   O O   B THR A 4   ? 0.3320 0.2338 0.1489 0.0695  0.0356  0.0408  20  THR A O   
45   C CB  A THR A 4   ? 0.3195 0.2341 0.1533 0.1102  0.0254  0.0714  20  THR A CB  
46   C CB  B THR A 4   ? 0.3328 0.2888 0.2137 0.0720  0.0342  0.0562  20  THR A CB  
47   O OG1 A THR A 4   ? 0.3712 0.2678 0.1896 0.1273  0.0300  0.0901  20  THR A OG1 
48   O OG1 B THR A 4   ? 0.3481 0.3131 0.2354 0.0556  0.0337  0.0539  20  THR A OG1 
49   C CG2 A THR A 4   ? 0.2750 0.2499 0.1451 0.1193  0.0498  0.0558  20  THR A CG2 
50   C CG2 B THR A 4   ? 0.3434 0.3067 0.2240 0.0805  0.0353  0.0599  20  THR A CG2 
65   N N   . VAL A 5   ? 0.2419 0.1649 0.1097 0.0665  0.0428  0.0364  21  VAL A N   
66   C CA  . VAL A 5   ? 0.1924 0.1529 0.0951 0.0451  0.0299  0.0343  21  VAL A CA  
67   C C   . VAL A 5   ? 0.1937 0.1555 0.0977 0.0696  0.0222  0.0246  21  VAL A C   
68   O O   . VAL A 5   ? 0.2152 0.1504 0.1043 0.0675  0.0261  0.0119  21  VAL A O   
69   C CB  . VAL A 5   ? 0.2028 0.1344 0.1075 0.0467  0.0306  0.0259  21  VAL A CB  
70   C CG1 . VAL A 5   ? 0.1783 0.1336 0.1049 0.0385  0.0099  0.0359  21  VAL A CG1 
71   C CG2 . VAL A 5   ? 0.1946 0.1334 0.1102 0.0464  0.0330  0.0266  21  VAL A CG2 
81   N N   . THR A 6   ? 0.2223 0.1590 0.1027 0.0646  0.0475  0.0326  22  THR A N   
82   C CA  . THR A 6   ? 0.2108 0.1763 0.1144 0.0660  0.0353  0.0211  22  THR A CA  
83   C C   . THR A 6   ? 0.1733 0.1596 0.1139 0.0591  0.0325  0.0251  22  THR A C   
84   O O   . THR A 6   ? 0.1787 0.1680 0.0907 0.0553  0.0282  0.0265  22  THR A O   
85   C CB  . THR A 6   ? 0.2307 0.1998 0.1338 0.0568  -0.0290 -0.0007 22  THR A CB  
86   O OG1 . THR A 6   ? 0.2352 0.2359 0.1738 0.0712  -0.0335 -0.0185 22  THR A OG1 
87   C CG2 . THR A 6   ? 0.3108 0.2484 0.1267 0.0770  -0.0553 0.0332  22  THR A CG2 
91   N N   . VAL A 7   ? 0.1752 0.1807 0.1129 0.0638  0.0415  0.0288  23  VAL A N   
92   C CA  . VAL A 7   ? 0.1575 0.1788 0.1115 0.0525  0.0282  0.0185  23  VAL A CA  
93   C C   . VAL A 7   ? 0.1445 0.1976 0.1084 0.0505  0.0255  0.0075  23  VAL A C   
94   O O   . VAL A 7   ? 0.1640 0.1990 0.1374 0.0739  0.0184  0.0122  23  VAL A O   
95   C CB  . VAL A 7   ? 0.1618 0.1651 0.1200 0.0198  0.0251  0.0178  23  VAL A CB  
96   C CG1 . VAL A 7   ? 0.1487 0.1621 0.1180 0.0050  0.0080  0.0075  23  VAL A CG1 
97   C CG2 . VAL A 7   ? 0.1866 0.1604 0.1265 0.0225  0.0466  0.0047  23  VAL A CG2 
107  N N   A PRO A 8   ? 0.1262 0.1879 0.1077 0.0289  -0.0095 -0.0080 24  PRO A N   
108  N N   B PRO A 8   ? 0.1322 0.1841 0.1316 0.0399  0.0267  -0.0044 24  PRO A N   
109  C CA  A PRO A 8   ? 0.1126 0.1923 0.1129 0.0129  -0.0090 -0.0085 24  PRO A CA  
110  C CA  B PRO A 8   ? 0.1237 0.1837 0.1320 0.0163  0.0079  -0.0409 24  PRO A CA  
111  C C   A PRO A 8   ? 0.1110 0.1690 0.1049 0.0116  0.0061  0.0037  24  PRO A C   
112  C C   B PRO A 8   ? 0.1191 0.1580 0.1002 0.0050  0.0133  -0.0202 24  PRO A C   
113  O O   A PRO A 8   ? 0.0992 0.1808 0.1182 0.0148  0.0172  0.0098  24  PRO A O   
114  O O   B PRO A 8   ? 0.1261 0.1657 0.0864 -0.0113 0.0018  -0.0285 24  PRO A O   
115  C CB  A PRO A 8   ? 0.1635 0.1850 0.1222 0.0182  -0.0157 -0.0071 24  PRO A CB  
116  C CB  B PRO A 8   ? 0.1682 0.1821 0.1644 0.0102  0.0122  -0.0515 24  PRO A CB  
117  C CG  A PRO A 8   ? 0.1313 0.1660 0.1168 0.0254  -0.0156 -0.0261 24  PRO A CG  
118  C CG  B PRO A 8   ? 0.1419 0.1818 0.1591 0.0073  0.0307  -0.0235 24  PRO A CG  
119  C CD  A PRO A 8   ? 0.1356 0.1785 0.1035 0.0376  -0.0416 -0.0321 24  PRO A CD  
120  C CD  B PRO A 8   ? 0.1328 0.1821 0.1567 0.0441  0.0442  -0.0033 24  PRO A CD  
135  N N   . LYS A 9   ? 0.1209 0.1607 0.0893 0.0058  -0.0055 -0.0061 25  LYS A N   
136  C CA  . LYS A 9   ? 0.1156 0.1808 0.0947 -0.0180 -0.0073 -0.0058 25  LYS A CA  
137  C C   . LYS A 9   ? 0.1189 0.1608 0.0822 -0.0145 0.0007  0.0070  25  LYS A C   
138  O O   . LYS A 9   ? 0.1035 0.1432 0.0969 -0.0012 0.0064  0.0027  25  LYS A O   
139  C CB  . LYS A 9   ? 0.1082 0.1683 0.1006 -0.0134 0.0050  -0.0009 25  LYS A CB  
140  C CG  . LYS A 9   ? 0.1411 0.1684 0.1108 -0.0152 -0.0113 0.0045  25  LYS A CG  
141  C CD  . LYS A 9   ? 0.1385 0.1747 0.1174 -0.0224 -0.0158 0.0167  25  LYS A CD  
142  C CE  . LYS A 9   ? 0.1344 0.1719 0.1299 -0.0004 -0.0095 0.0166  25  LYS A CE  
143  N NZ  . LYS A 9   ? 0.1855 0.1784 0.1292 0.0035  0.0182  0.0391  25  LYS A NZ  
157  N N   . ASP A 10  ? 0.1135 0.1796 0.0801 -0.0044 -0.0045 0.0062  26  ASP A N   
158  C CA  . ASP A 10  ? 0.1317 0.1689 0.0891 -0.0082 -0.0123 -0.0055 26  ASP A CA  
159  C C   . ASP A 10  ? 0.1109 0.1395 0.0776 0.0213  -0.0081 0.0030  26  ASP A C   
160  O O   . ASP A 10  ? 0.1134 0.1477 0.0890 0.0072  -0.0152 -0.0031 26  ASP A O   
161  C CB  . ASP A 10  ? 0.1712 0.1689 0.1158 -0.0121 -0.0228 0.0228  26  ASP A CB  
162  C CG  . ASP A 10  ? 0.1624 0.1575 0.1691 0.0000  -0.0155 0.0099  26  ASP A CG  
163  O OD1 . ASP A 10  ? 0.1512 0.1823 0.1645 0.0195  -0.0246 -0.0067 26  ASP A OD1 
164  O OD2 . ASP A 10  ? 0.2165 0.1430 0.2131 0.0182  -0.0040 0.0197  26  ASP A OD2 
169  N N   . LEU A 11  ? 0.1296 0.1479 0.0870 0.0072  -0.0265 0.0100  27  LEU A N   
170  C CA  . LEU A 11  ? 0.1265 0.1492 0.0975 0.0099  -0.0150 0.0069  27  LEU A CA  
171  C C   . LEU A 11  ? 0.1317 0.1434 0.0833 0.0029  -0.0178 0.0017  27  LEU A C   
172  O O   . LEU A 11  ? 0.1196 0.1562 0.1173 -0.0093 -0.0402 0.0152  27  LEU A O   
173  C CB  . LEU A 11  ? 0.1321 0.1723 0.1138 0.0121  0.0006  -0.0029 27  LEU A CB  
174  C CG  . LEU A 11  ? 0.1436 0.2011 0.1185 0.0030  0.0215  -0.0149 27  LEU A CG  
175  C CD1 . LEU A 11  ? 0.1824 0.2030 0.1026 0.0142  0.0206  -0.0241 27  LEU A CD1 
176  C CD2 . LEU A 11  ? 0.1617 0.2327 0.1430 0.0190  0.0339  -0.0162 27  LEU A CD2 
188  N N   . TYR A 12  ? 0.1184 0.1435 0.0679 -0.0034 -0.0108 -0.0064 28  TYR A N   
189  C CA  . TYR A 12  ? 0.1142 0.1463 0.0700 -0.0129 -0.0115 0.0024  28  TYR A CA  
190  C C   . TYR A 12  ? 0.1138 0.1469 0.0667 -0.0080 -0.0079 -0.0023 28  TYR A C   
191  O O   . TYR A 12  ? 0.1378 0.1939 0.0681 -0.0355 -0.0072 0.0020  28  TYR A O   
192  C CB  . TYR A 12  ? 0.1224 0.1486 0.0760 0.0061  -0.0043 -0.0066 28  TYR A CB  
193  C CG  . TYR A 12  ? 0.1200 0.1388 0.0760 0.0023  0.0021  -0.0045 28  TYR A CG  
194  C CD1 . TYR A 12  ? 0.1157 0.1369 0.0782 -0.0019 0.0057  -0.0104 28  TYR A CD1 
195  C CD2 . TYR A 12  ? 0.1283 0.1181 0.0804 0.0012  0.0047  -0.0024 28  TYR A CD2 
196  C CE1 . TYR A 12  ? 0.1365 0.1316 0.0820 0.0106  -0.0012 0.0009  28  TYR A CE1 
197  C CE2 . TYR A 12  ? 0.1473 0.1179 0.0844 0.0070  -0.0012 -0.0012 28  TYR A CE2 
198  C CZ  . TYR A 12  ? 0.1270 0.1374 0.0781 0.0116  -0.0043 -0.0115 28  TYR A CZ  
199  O OH  . TYR A 12  ? 0.1475 0.1547 0.0730 0.0120  -0.0030 -0.0151 28  TYR A OH  
209  N N   . VAL A 13  ? 0.1149 0.1559 0.0764 -0.0052 -0.0012 0.0088  29  VAL A N   
210  C CA  . VAL A 13  ? 0.1247 0.1652 0.0844 -0.0003 0.0106  0.0031  29  VAL A CA  
211  C C   . VAL A 13  ? 0.1553 0.1470 0.0819 -0.0141 -0.0037 0.0093  29  VAL A C   
212  O O   . VAL A 13  ? 0.1696 0.1610 0.1121 -0.0337 -0.0224 0.0055  29  VAL A O   
213  C CB  . VAL A 13  ? 0.1362 0.2127 0.1035 0.0038  0.0213  0.0013  29  VAL A CB  
214  C CG1 . VAL A 13  ? 0.1924 0.2353 0.1005 0.0074  0.0344  -0.0034 29  VAL A CG1 
215  C CG2 . VAL A 13  ? 0.1525 0.2213 0.1201 0.0390  0.0175  -0.0037 29  VAL A CG2 
225  N N   . VAL A 14  ? 0.1481 0.1380 0.0687 -0.0081 -0.0046 0.0052  30  VAL A N   
226  C CA  . VAL A 14  ? 0.1942 0.1493 0.0744 0.0042  -0.0085 -0.0018 30  VAL A CA  
227  C C   . VAL A 14  ? 0.1833 0.1318 0.0751 -0.0091 -0.0168 -0.0028 30  VAL A C   
228  O O   . VAL A 14  ? 0.2403 0.1381 0.0649 -0.0156 0.0109  0.0014  30  VAL A O   
229  C CB  . VAL A 14  ? 0.2489 0.2360 0.0898 0.0971  0.0066  0.0235  30  VAL A CB  
230  C CG1 . VAL A 14  ? 0.2785 0.2933 0.1092 0.1088  0.0377  0.0307  30  VAL A CG1 
231  C CG2 . VAL A 14  ? 0.2875 0.2317 0.1103 0.0915  0.0009  0.0070  30  VAL A CG2 
241  N N   . GLU A 15  ? 0.2042 0.1353 0.0884 -0.0116 -0.0189 0.0036  31  GLU A N   
242  C CA  . GLU A 15  ? 0.2158 0.1404 0.0864 -0.0201 -0.0009 0.0035  31  GLU A CA  
243  C C   . GLU A 15  ? 0.2038 0.1292 0.0734 -0.0048 -0.0160 0.0057  31  GLU A C   
244  O O   . GLU A 15  ? 0.2165 0.1500 0.0796 -0.0018 -0.0050 0.0102  31  GLU A O   
245  C CB  . GLU A 15  ? 0.2139 0.1544 0.1399 -0.0344 -0.0179 0.0118  31  GLU A CB  
246  C CG  . GLU A 15  ? 0.2253 0.2145 0.1758 -0.0420 -0.0088 0.0120  31  GLU A CG  
247  C CD  . GLU A 15  ? 0.2676 0.2660 0.2092 -0.0416 0.0036  -0.0033 31  GLU A CD  
248  O OE1 . GLU A 15  ? 0.2741 0.2993 0.2175 -0.0439 0.0319  -0.0268 31  GLU A OE1 
249  O OE2 . GLU A 15  ? 0.2789 0.2885 0.2325 0.0055  -0.0203 -0.0107 31  GLU A OE2 
256  N N   . TYR A 16  ? 0.1902 0.1368 0.0703 0.0051  -0.0101 0.0091  32  TYR A N   
257  C CA  . TYR A 16  ? 0.1882 0.1439 0.0698 0.0055  0.0061  0.0023  32  TYR A CA  
258  C C   . TYR A 16  ? 0.2163 0.1488 0.0617 0.0023  0.0062  0.0152  32  TYR A C   
259  O O   . TYR A 16  ? 0.2247 0.1526 0.0814 -0.0082 0.0125  0.0129  32  TYR A O   
260  C CB  . TYR A 16  ? 0.2020 0.1485 0.0711 0.0031  -0.0122 0.0090  32  TYR A CB  
261  C CG  . TYR A 16  ? 0.2021 0.1549 0.0608 0.0030  0.0129  -0.0003 32  TYR A CG  
262  C CD1 . TYR A 16  ? 0.1941 0.1597 0.0721 0.0082  0.0032  -0.0165 32  TYR A CD1 
263  C CD2 . TYR A 16  ? 0.1973 0.1677 0.0779 -0.0031 0.0056  0.0240  32  TYR A CD2 
264  C CE1 . TYR A 16  ? 0.1955 0.1874 0.0739 0.0011  0.0003  -0.0187 32  TYR A CE1 
265  C CE2 . TYR A 16  ? 0.1976 0.1849 0.0901 0.0081  -0.0053 0.0207  32  TYR A CE2 
266  C CZ  . TYR A 16  ? 0.1821 0.2123 0.0739 0.0041  -0.0028 -0.0078 32  TYR A CZ  
267  O OH  . TYR A 16  ? 0.2066 0.2524 0.1090 0.0282  -0.0163 -0.0074 32  TYR A OH  
277  N N   . GLY A 17  ? 0.2227 0.1655 0.0661 0.0177  0.0152  0.0084  33  GLY A N   
278  C CA  . GLY A 17  ? 0.2636 0.1638 0.0891 0.0572  0.0064  0.0067  33  GLY A CA  
279  C C   . GLY A 17  ? 0.2933 0.1604 0.0903 0.0419  0.0403  0.0170  33  GLY A C   
280  O O   . GLY A 17  ? 0.3786 0.1544 0.1090 0.0850  0.0329  0.0158  33  GLY A O   
284  N N   . SER A 18  ? 0.2548 0.1464 0.0849 0.0142  0.0285  0.0103  34  SER A N   
285  C CA  . SER A 18  ? 0.2189 0.1371 0.0874 -0.0095 0.0218  0.0018  34  SER A CA  
286  C C   . SER A 18  ? 0.1965 0.1305 0.0876 -0.0009 0.0093  0.0112  34  SER A C   
287  O O   . SER A 18  ? 0.2106 0.2038 0.0889 -0.0172 0.0148  -0.0095 34  SER A O   
288  C CB  . SER A 18  ? 0.1911 0.1703 0.0943 -0.0270 0.0166  -0.0089 34  SER A CB  
289  O OG  . SER A 18  ? 0.2005 0.1697 0.1047 0.0010  -0.0068 -0.0104 34  SER A OG  
295  N N   . ASN A 19  ? 0.1961 0.1431 0.0866 -0.0174 0.0176  0.0124  35  ASN A N   
296  C CA  . ASN A 19  ? 0.2015 0.1555 0.0881 -0.0093 0.0134  0.0199  35  ASN A CA  
297  C C   . ASN A 19  ? 0.1735 0.1796 0.0911 -0.0084 0.0168  0.0284  35  ASN A C   
298  O O   . ASN A 19  ? 0.1882 0.2024 0.1298 -0.0351 -0.0154 0.0697  35  ASN A O   
299  C CB  . ASN A 19  ? 0.2295 0.1680 0.0915 -0.0139 0.0298  -0.0017 35  ASN A CB  
300  C CG  . ASN A 19  ? 0.2739 0.1467 0.1354 0.0132  0.0006  0.0101  35  ASN A CG  
301  O OD1 . ASN A 19  ? 0.2100 0.1564 0.1313 0.0205  0.0264  0.0291  35  ASN A OD1 
302  N ND2 . ASN A 19  ? 0.3200 0.1399 0.1900 -0.0047 -0.0315 -0.0212 35  ASN A ND2 
309  N N   . MET A 20  ? 0.1758 0.1411 0.0877 0.0140  0.0325  0.0248  36  MET A N   
310  C CA  . MET A 20  ? 0.1915 0.1463 0.0893 0.0096  0.0418  0.0142  36  MET A CA  
311  C C   . MET A 20  ? 0.1600 0.1240 0.0944 0.0100  0.0314  0.0202  36  MET A C   
312  O O   . MET A 20  ? 0.1468 0.1551 0.0864 0.0125  0.0189  0.0091  36  MET A O   
313  C CB  . MET A 20  ? 0.2171 0.1587 0.1039 0.0165  0.0329  -0.0014 36  MET A CB  
314  C CG  . MET A 20  ? 0.1916 0.2013 0.1179 0.0027  0.0144  -0.0281 36  MET A CG  
315  S SD  . MET A 20  ? 0.2051 0.1785 0.1451 0.0033  0.0214  -0.0336 36  MET A SD  
316  C CE  . MET A 20  ? 0.1942 0.2196 0.1756 0.0290  0.0091  -0.0819 36  MET A CE  
326  N N   . THR A 21  ? 0.1376 0.1304 0.0913 0.0039  0.0249  0.0201  37  THR A N   
327  C CA  . THR A 21  ? 0.1287 0.1206 0.1010 0.0040  0.0160  0.0223  37  THR A CA  
328  C C   . THR A 21  ? 0.1174 0.1178 0.1028 0.0085  0.0036  0.0115  37  THR A C   
329  O O   . THR A 21  ? 0.1315 0.1319 0.1693 0.0038  0.0058  0.0244  37  THR A O   
330  C CB  . THR A 21  ? 0.1588 0.1171 0.1144 0.0008  -0.0008 0.0109  37  THR A CB  
331  O OG1 . THR A 21  ? 0.2233 0.1210 0.1401 0.0100  -0.0011 0.0143  37  THR A OG1 
332  C CG2 . THR A 21  ? 0.1885 0.1383 0.0979 0.0081  0.0037  -0.0075 37  THR A CG2 
340  N N   . ILE A 22  ? 0.1173 0.1079 0.0756 0.0060  0.0083  0.0171  38  ILE A N   
341  C CA  . ILE A 22  ? 0.1214 0.1152 0.0649 0.0129  0.0005  0.0113  38  ILE A CA  
342  C C   . ILE A 22  ? 0.1070 0.1013 0.0560 0.0158  0.0037  0.0042  38  ILE A C   
343  O O   . ILE A 22  ? 0.1281 0.1240 0.0707 0.0234  0.0067  -0.0018 38  ILE A O   
344  C CB  . ILE A 22  ? 0.1454 0.1211 0.0627 -0.0023 -0.0087 0.0039  38  ILE A CB  
345  C CG1 . ILE A 22  ? 0.1350 0.1121 0.0683 -0.0030 0.0102  -0.0058 38  ILE A CG1 
346  C CG2 . ILE A 22  ? 0.1329 0.1440 0.0729 0.0006  0.0023  -0.0055 38  ILE A CG2 
347  C CD1 . ILE A 22  ? 0.1275 0.1173 0.0781 -0.0221 0.0081  -0.0129 38  ILE A CD1 
359  N N   . GLU A 23  ? 0.1142 0.1149 0.0598 0.0201  0.0119  0.0045  39  GLU A N   
360  C CA  . GLU A 23  ? 0.1211 0.1103 0.0585 0.0153  0.0100  0.0053  39  GLU A CA  
361  C C   . GLU A 23  ? 0.1087 0.1169 0.0524 0.0114  0.0037  -0.0040 39  GLU A C   
362  O O   . GLU A 23  ? 0.1241 0.1152 0.0643 0.0161  0.0122  0.0014  39  GLU A O   
363  C CB  . GLU A 23  ? 0.1352 0.1240 0.0730 0.0017  0.0080  0.0016  39  GLU A CB  
364  C CG  . GLU A 23  ? 0.1415 0.1227 0.0892 0.0122  0.0125  0.0017  39  GLU A CG  
365  C CD  . GLU A 23  ? 0.1443 0.1385 0.1057 -0.0076 0.0209  -0.0107 39  GLU A CD  
366  O OE1 . GLU A 23  ? 0.1623 0.1392 0.1287 -0.0118 0.0159  -0.0220 39  GLU A OE1 
367  O OE2 . GLU A 23  ? 0.1368 0.1501 0.1168 -0.0027 0.0136  -0.0081 39  GLU A OE2 
374  N N   . CYS A 24  ? 0.1103 0.0908 0.0526 0.0275  0.0214  0.0095  40  CYS A N   
375  C CA  . CYS A 24  ? 0.0943 0.0810 0.0508 0.0203  0.0115  0.0016  40  CYS A CA  
376  C C   . CYS A 24  ? 0.1218 0.0787 0.0545 0.0168  0.0205  0.0090  40  CYS A C   
377  O O   . CYS A 24  ? 0.1545 0.0942 0.0709 0.0382  -0.0073 -0.0139 40  CYS A O   
378  C CB  . CYS A 24  ? 0.1147 0.0766 0.0315 0.0055  0.0133  -0.0012 40  CYS A CB  
379  S SG  . CYS A 24  ? 0.0933 0.0830 0.0369 0.0083  0.0087  -0.0003 40  CYS A SG  
384  N N   . LYS A 25  ? 0.1697 0.1453 0.0685 0.0393  0.0123  0.0123  41  LYS A N   
385  C CA  . LYS A 25  ? 0.1621 0.1572 0.0703 0.0247  0.0024  0.0125  41  LYS A CA  
386  C C   . LYS A 25  ? 0.1561 0.1447 0.0758 0.0243  0.0058  0.0197  41  LYS A C   
387  O O   . LYS A 25  ? 0.2013 0.1417 0.0957 0.0324  0.0298  0.0148  41  LYS A O   
388  C CB  . LYS A 25  ? 0.1876 0.1833 0.1021 -0.0019 0.0147  0.0066  41  LYS A CB  
389  C CG  . LYS A 25  ? 0.2686 0.2158 0.1297 -0.0080 0.0120  0.0115  41  LYS A CG  
390  C CD  . LYS A 25  ? 0.2555 0.2363 0.1467 0.0602  -0.0003 0.0045  41  LYS A CD  
391  C CE  . LYS A 25  ? 0.2539 0.2469 0.1657 0.0498  0.0179  0.0428  41  LYS A CE  
392  N NZ  . LYS A 25  ? 0.2698 0.2718 0.1800 0.0991  0.0146  0.0499  41  LYS A NZ  
406  N N   . PHE A 26  ? 0.1764 0.1451 0.0626 0.0095  0.0116  0.0095  42  PHE A N   
407  C CA  . PHE A 26  ? 0.1874 0.1460 0.0648 -0.0004 0.0097  0.0148  42  PHE A CA  
408  C C   . PHE A 26  ? 0.1478 0.1621 0.0733 0.0074  0.0049  0.0137  42  PHE A C   
409  O O   . PHE A 26  ? 0.1925 0.1532 0.0715 0.0001  0.0055  0.0113  42  PHE A O   
410  C CB  . PHE A 26  ? 0.1854 0.1581 0.0710 -0.0291 0.0044  0.0089  42  PHE A CB  
411  C CG  . PHE A 26  ? 0.1531 0.1496 0.0864 -0.0071 -0.0036 0.0019  42  PHE A CG  
412  C CD1 . PHE A 26  ? 0.1430 0.1591 0.0897 -0.0248 -0.0076 -0.0004 42  PHE A CD1 
413  C CD2 . PHE A 26  ? 0.1453 0.1714 0.0915 -0.0041 0.0018  -0.0033 42  PHE A CD2 
414  C CE1 . PHE A 26  ? 0.1337 0.1586 0.1136 -0.0061 -0.0123 0.0141  42  PHE A CE1 
415  C CE2 . PHE A 26  ? 0.1217 0.1745 0.1024 -0.0063 0.0066  -0.0117 42  PHE A CE2 
416  C CZ  . PHE A 26  ? 0.1212 0.1686 0.1210 0.0028  -0.0022 -0.0079 42  PHE A CZ  
426  N N   . PRO A 27  ? 0.1435 0.1700 0.0699 0.0002  0.0037  0.0253  43  PRO A N   
427  C CA  . PRO A 27  ? 0.1430 0.1989 0.0753 -0.0103 -0.0048 0.0227  43  PRO A CA  
428  C C   . PRO A 27  ? 0.1388 0.2148 0.0682 -0.0092 0.0045  0.0157  43  PRO A C   
429  O O   . PRO A 27  ? 0.1307 0.2225 0.0879 -0.0207 0.0066  0.0108  43  PRO A O   
430  C CB  . PRO A 27  ? 0.1664 0.1984 0.0845 -0.0045 -0.0090 0.0365  43  PRO A CB  
431  C CG  . PRO A 27  ? 0.2165 0.1862 0.0805 0.0034  0.0039  0.0277  43  PRO A CG  
432  C CD  . PRO A 27  ? 0.1934 0.1671 0.0833 -0.0129 0.0126  0.0292  43  PRO A CD  
440  N N   . VAL A 28  ? 0.1486 0.2281 0.0910 -0.0273 0.0088  -0.0154 44  VAL A N   
441  C CA  . VAL A 28  ? 0.1660 0.2466 0.1067 -0.0100 -0.0015 -0.0331 44  VAL A CA  
442  C C   . VAL A 28  ? 0.1864 0.2942 0.1296 -0.0174 -0.0038 -0.0482 44  VAL A C   
443  O O   . VAL A 28  ? 0.1620 0.2809 0.1444 -0.0387 -0.0057 -0.0603 44  VAL A O   
444  C CB  . VAL A 28  ? 0.2077 0.2672 0.1203 0.0002  -0.0094 -0.0398 44  VAL A CB  
445  C CG1 . VAL A 28  ? 0.2679 0.2747 0.1274 0.0201  -0.0123 -0.0507 44  VAL A CG1 
446  C CG2 . VAL A 28  ? 0.2080 0.2681 0.1251 0.0162  0.0152  -0.0105 44  VAL A CG2 
456  N N   . GLU A 29  ? 0.2328 0.3732 0.1648 -0.0866 0.0094  -0.0768 45  GLU A N   
457  C CA  . GLU A 29  ? 0.3463 0.4209 0.2248 -0.0928 -0.0016 -0.0727 45  GLU A CA  
458  C C   . GLU A 29  ? 0.4203 0.4340 0.2361 -0.0445 -0.0098 -0.0539 45  GLU A C   
459  O O   . GLU A 29  ? 0.4485 0.4268 0.2381 -0.0432 -0.0129 -0.0638 45  GLU A O   
460  C CB  . GLU A 29  ? 0.3974 0.4684 0.2827 -0.1106 0.0188  -0.0774 45  GLU A CB  
461  C CG  . GLU A 29  ? 0.4292 0.5209 0.3502 -0.0956 0.0317  -0.0732 45  GLU A CG  
462  C CD  . GLU A 29  ? 0.4410 0.5561 0.4002 -0.0771 0.0348  -0.0702 45  GLU A CD  
463  O OE1 . GLU A 29  ? 0.4485 0.5761 0.4118 -0.0656 0.0347  -0.0748 45  GLU A OE1 
470  N N   . LYS A 30  ? 0.4466 0.4492 0.2330 -0.0012 -0.0306 -0.0348 46  LYS A N   
471  C CA  . LYS A 30  ? 0.4696 0.4542 0.2097 -0.0222 -0.0692 -0.0426 46  LYS A CA  
472  C C   . LYS A 30  ? 0.5005 0.4059 0.1836 -0.0558 -0.0806 -0.0343 46  LYS A C   
473  O O   . LYS A 30  ? 0.5199 0.4207 0.1704 -0.0569 -0.0901 -0.0257 46  LYS A O   
474  C CB  . LYS A 30  ? 0.5173 0.5024 0.2331 0.0108  -0.0654 -0.0309 46  LYS A CB  
475  C CG  . LYS A 30  ? 0.5338 0.5280 0.2473 0.0198  -0.0621 -0.0160 46  LYS A CG  
476  C CE  . LYS A 30  ? 0.5525 0.4431 0.5096 -0.0007 0.0490  -0.1417 46  LYS A CE  
483  N N   . GLN A 31  ? 0.4767 0.3313 0.1735 -0.0808 -0.0830 -0.0452 47  GLN A N   
484  C CA  . GLN A 31  ? 0.4732 0.2742 0.1768 -0.1229 -0.0556 -0.0368 47  GLN A CA  
485  C C   . GLN A 31  ? 0.4357 0.2265 0.1362 -0.1079 -0.0419 -0.0082 47  GLN A C   
486  O O   . GLN A 31  ? 0.4076 0.2308 0.1375 -0.0849 -0.0603 0.0256  47  GLN A O   
487  C CB  . GLN A 31  ? 0.5484 0.3042 0.2145 -0.1119 -0.0505 -0.0657 47  GLN A CB  
488  C CG  . GLN A 31  ? 0.5791 0.3288 0.2480 -0.1223 -0.0593 -0.0638 47  GLN A CG  
489  C CD  . GLN A 31  ? 0.6057 0.3578 0.2748 -0.1128 -0.0618 -0.0464 47  GLN A CD  
490  O OE1 . GLN A 31  ? 0.6264 0.3655 0.2820 -0.1052 -0.0633 -0.0389 47  GLN A OE1 
491  N NE2 . GLN A 31  ? 0.5942 0.3625 0.2885 -0.1319 -0.0637 -0.0354 47  GLN A NE2 
500  N N   . LEU A 32  ? 0.3920 0.1883 0.1238 -0.0905 -0.0259 -0.0196 48  LEU A N   
501  C CA  . LEU A 32  ? 0.2893 0.1608 0.1179 -0.0597 0.0151  -0.0277 48  LEU A CA  
502  C C   . LEU A 32  ? 0.3613 0.1395 0.1275 -0.0280 0.0775  -0.0185 48  LEU A C   
503  O O   . LEU A 32  ? 0.4171 0.1433 0.1618 -0.0115 0.1113  -0.0170 48  LEU A O   
504  C CB  . LEU A 32  ? 0.2243 0.1743 0.1226 -0.0405 0.0264  0.0027  48  LEU A CB  
505  C CG  . LEU A 32  ? 0.1930 0.1633 0.1153 -0.0138 0.0167  -0.0111 48  LEU A CG  
506  C CD1 . LEU A 32  ? 0.2051 0.1494 0.0982 0.0011  0.0129  0.0005  48  LEU A CD1 
507  C CD2 . LEU A 32  ? 0.1731 0.1755 0.1153 0.0230  0.0141  -0.0174 48  LEU A CD2 
519  N N   . ASP A 33  ? 0.3363 0.1357 0.1329 -0.0189 0.0924  -0.0035 49  ASP A N   
520  C CA  . ASP A 33  ? 0.3174 0.1486 0.1293 0.0117  0.0936  0.0143  49  ASP A CA  
521  C C   . ASP A 33  ? 0.3299 0.1256 0.1281 0.0290  0.0873  0.0220  49  ASP A C   
522  O O   . ASP A 33  ? 0.2578 0.1180 0.1391 0.0219  0.0649  0.0249  49  ASP A O   
523  C CB  . ASP A 33  ? 0.2700 0.1798 0.1231 -0.0237 0.0659  0.0309  49  ASP A CB  
524  C CG  . ASP A 33  ? 0.2737 0.2029 0.1130 -0.0059 0.0478  0.0370  49  ASP A CG  
525  O OD1 . ASP A 33  ? 0.2488 0.2490 0.1340 0.0243  0.0715  0.0704  49  ASP A OD1 
526  O OD2 . ASP A 33  ? 0.2796 0.2035 0.1008 -0.0653 0.0261  0.0347  49  ASP A OD2 
531  N N   . LEU A 34  ? 0.4208 0.1473 0.1363 0.0781  0.0794  0.0194  50  LEU A N   
532  C CA  . LEU A 34  ? 0.4570 0.1624 0.1395 0.1096  0.0605  0.0202  50  LEU A CA  
533  C C   . LEU A 34  ? 0.4816 0.1722 0.1319 0.1202  0.0179  0.0061  50  LEU A C   
534  O O   . LEU A 34  ? 0.6235 0.1647 0.1615 0.0560  -0.0147 -0.0007 50  LEU A O   
535  C CB  . LEU A 34  ? 0.4538 0.1572 0.1573 0.0986  0.0762  0.0281  50  LEU A CB  
536  C CG  . LEU A 34  ? 0.3081 0.1271 0.1848 0.0558  0.0548  0.0218  50  LEU A CG  
537  C CD1 . LEU A 34  ? 0.3125 0.1041 0.1903 0.0397  0.0376  0.0212  50  LEU A CD1 
538  C CD2 . LEU A 34  ? 0.1726 0.1119 0.1558 0.0074  0.0213  0.0185  50  LEU A CD2 
550  N N   . ALA A 35  ? 0.3891 0.2259 0.1344 0.1498  0.0109  -0.0122 51  ALA A N   
551  C CA  . ALA A 35  ? 0.3596 0.2774 0.1640 0.1502  0.0033  -0.0516 51  ALA A CA  
552  C C   . ALA A 35  ? 0.2583 0.2631 0.1241 0.0974  -0.0027 -0.0464 51  ALA A C   
553  O O   . ALA A 35  ? 0.2240 0.3044 0.1400 0.0915  -0.0008 -0.0169 51  ALA A O   
554  C CB  . ALA A 35  ? 0.3688 0.3057 0.1940 0.1319  0.0476  -0.0637 51  ALA A CB  
560  N N   . ALA A 36  ? 0.1913 0.1842 0.0861 0.0505  0.0107  -0.0166 52  ALA A N   
561  C CA  . ALA A 36  ? 0.1731 0.1424 0.0784 0.0052  0.0278  -0.0024 52  ALA A CA  
562  C C   . ALA A 36  ? 0.1477 0.1124 0.0669 0.0099  0.0153  -0.0037 52  ALA A C   
563  O O   . ALA A 36  ? 0.2515 0.1075 0.1049 -0.0020 0.0765  0.0031  52  ALA A O   
564  C CB  . ALA A 36  ? 0.1791 0.1517 0.0667 0.0135  0.0091  0.0159  52  ALA A CB  
570  N N   . LEU A 37  ? 0.1477 0.0971 0.0534 -0.0002 0.0029  -0.0039 53  LEU A N   
571  C CA  . LEU A 37  ? 0.1323 0.0984 0.0522 -0.0015 0.0006  -0.0026 53  LEU A CA  
572  C C   . LEU A 37  ? 0.1272 0.0972 0.0517 -0.0019 0.0107  0.0035  53  LEU A C   
573  O O   . LEU A 37  ? 0.1308 0.1057 0.0677 0.0142  0.0009  -0.0052 53  LEU A O   
574  C CB  . LEU A 37  ? 0.1382 0.0996 0.0596 -0.0008 -0.0028 -0.0013 53  LEU A CB  
575  C CG  . LEU A 37  ? 0.1277 0.1104 0.0690 -0.0054 -0.0029 0.0022  53  LEU A CG  
576  C CD1 . LEU A 37  ? 0.1209 0.1088 0.0844 -0.0066 0.0072  0.0032  53  LEU A CD1 
577  C CD2 . LEU A 37  ? 0.1660 0.1105 0.0930 -0.0086 0.0081  0.0119  53  LEU A CD2 
589  N N   . ILE A 38  ? 0.1113 0.0843 0.0457 0.0060  0.0045  -0.0021 54  ILE A N   
590  C CA  . ILE A 38  ? 0.1179 0.0928 0.0586 -0.0066 0.0007  -0.0042 54  ILE A CA  
591  C C   . ILE A 38  ? 0.1130 0.0837 0.0546 -0.0025 -0.0077 -0.0034 54  ILE A C   
592  O O   . ILE A 38  ? 0.1231 0.1012 0.0562 0.0133  0.0026  0.0006  54  ILE A O   
593  C CB  . ILE A 38  ? 0.1228 0.0916 0.0780 -0.0032 0.0113  -0.0087 54  ILE A CB  
594  C CG1 . ILE A 38  ? 0.1626 0.1202 0.0999 -0.0263 0.0325  -0.0143 54  ILE A CG1 
595  C CG2 . ILE A 38  ? 0.1309 0.0883 0.0920 -0.0152 -0.0073 -0.0063 54  ILE A CG2 
596  C CD1 . ILE A 38  ? 0.1564 0.1254 0.1123 -0.0283 0.0421  -0.0039 54  ILE A CD1 
608  N N   . VAL A 39  ? 0.1105 0.0933 0.0566 0.0101  0.0018  -0.0038 55  VAL A N   
609  C CA  . VAL A 39  ? 0.1108 0.0838 0.0456 0.0126  -0.0005 0.0064  55  VAL A CA  
610  C C   . VAL A 39  ? 0.1195 0.1043 0.0455 0.0140  0.0023  -0.0043 55  VAL A C   
611  O O   . VAL A 39  ? 0.1274 0.1266 0.0582 0.0372  -0.0092 -0.0113 55  VAL A O   
612  C CB  . VAL A 39  ? 0.1135 0.0980 0.0590 0.0032  0.0091  0.0010  55  VAL A CB  
613  C CG1 . VAL A 39  ? 0.1043 0.1014 0.0559 -0.0005 0.0032  0.0063  55  VAL A CG1 
614  C CG2 . VAL A 39  ? 0.1315 0.1109 0.0576 -0.0074 0.0054  -0.0029 55  VAL A CG2 
624  N N   . TYR A 40  ? 0.1072 0.1002 0.0521 0.0090  -0.0011 0.0026  56  TYR A N   
625  C CA  . TYR A 40  ? 0.1067 0.0936 0.0540 0.0021  0.0007  0.0012  56  TYR A CA  
626  C C   . TYR A 40  ? 0.1071 0.0945 0.0529 -0.0011 -0.0036 -0.0032 56  TYR A C   
627  O O   . TYR A 40  ? 0.1208 0.1076 0.0562 0.0163  0.0015  0.0038  56  TYR A O   
628  C CB  . TYR A 40  ? 0.1234 0.1015 0.0595 0.0061  -0.0010 -0.0046 56  TYR A CB  
629  C CG  . TYR A 40  ? 0.1096 0.1014 0.0692 -0.0025 0.0005  -0.0031 56  TYR A CG  
630  C CD1 . TYR A 40  ? 0.1167 0.1085 0.0739 -0.0033 0.0043  0.0047  56  TYR A CD1 
631  C CD2 . TYR A 40  ? 0.1280 0.0973 0.0733 0.0105  -0.0021 0.0018  56  TYR A CD2 
632  C CE1 . TYR A 40  ? 0.1013 0.1066 0.0601 -0.0041 -0.0086 0.0043  56  TYR A CE1 
633  C CE2 . TYR A 40  ? 0.1300 0.0968 0.0687 0.0049  -0.0140 -0.0067 56  TYR A CE2 
634  C CZ  . TYR A 40  ? 0.1034 0.1057 0.0560 -0.0099 -0.0093 -0.0094 56  TYR A CZ  
635  O OH  . TYR A 40  ? 0.1368 0.1254 0.0774 -0.0097 -0.0126 -0.0017 56  TYR A OH  
645  N N   . TRP A 41  ? 0.1039 0.0966 0.0556 0.0086  0.0002  0.0006  57  TRP A N   
646  C CA  . TRP A 41  ? 0.1044 0.1141 0.0650 0.0076  0.0028  0.0109  57  TRP A CA  
647  C C   . TRP A 41  ? 0.1080 0.1175 0.0712 0.0031  0.0019  0.0096  57  TRP A C   
648  O O   . TRP A 41  ? 0.1135 0.1277 0.0735 -0.0004 -0.0087 0.0116  57  TRP A O   
649  C CB  . TRP A 41  ? 0.1132 0.1283 0.0683 -0.0118 -0.0057 0.0163  57  TRP A CB  
650  C CG  . TRP A 41  ? 0.1204 0.1256 0.0590 -0.0093 -0.0066 0.0141  57  TRP A CG  
651  C CD1 . TRP A 41  ? 0.1316 0.1350 0.0641 0.0049  -0.0023 0.0051  57  TRP A CD1 
652  C CD2 . TRP A 41  ? 0.1192 0.1182 0.0593 -0.0049 -0.0066 0.0134  57  TRP A CD2 
653  N NE1 . TRP A 41  ? 0.1259 0.1185 0.0582 -0.0056 -0.0122 -0.0027 57  TRP A NE1 
654  C CE2 . TRP A 41  ? 0.1275 0.1042 0.0583 -0.0027 -0.0088 0.0139  57  TRP A CE2 
655  C CE3 . TRP A 41  ? 0.1118 0.1190 0.0619 -0.0098 0.0003  0.0090  57  TRP A CE3 
656  C CZ2 . TRP A 41  ? 0.1125 0.1026 0.0788 -0.0088 -0.0193 0.0145  57  TRP A CZ2 
657  C CZ3 . TRP A 41  ? 0.1248 0.1133 0.0758 -0.0021 0.0036  0.0003  57  TRP A CZ3 
658  C CH2 . TRP A 41  ? 0.1022 0.1155 0.0789 -0.0089 0.0062  0.0165  57  TRP A CH2 
669  N N   . GLU A 42  ? 0.1072 0.1305 0.0591 0.0044  -0.0031 0.0057  58  GLU A N   
670  C CA  . GLU A 42  ? 0.1252 0.1269 0.0636 0.0036  -0.0024 0.0017  58  GLU A CA  
671  C C   . GLU A 42  ? 0.1315 0.1319 0.0677 -0.0097 0.0016  0.0041  58  GLU A C   
672  O O   . GLU A 42  ? 0.1040 0.1519 0.0619 0.0068  0.0011  -0.0076 58  GLU A O   
673  C CB  . GLU A 42  ? 0.1278 0.1272 0.0704 0.0006  -0.0015 0.0057  58  GLU A CB  
674  C CG  . GLU A 42  ? 0.1359 0.1265 0.0773 -0.0203 -0.0104 0.0123  58  GLU A CG  
675  C CD  . GLU A 42  ? 0.1335 0.1181 0.0807 -0.0085 -0.0007 0.0061  58  GLU A CD  
676  O OE1 . GLU A 42  ? 0.1656 0.1192 0.0820 -0.0193 -0.0043 -0.0046 58  GLU A OE1 
677  O OE2 . GLU A 42  ? 0.1664 0.1312 0.1034 0.0000  0.0059  0.0140  58  GLU A OE2 
684  N N   A MET A 43  ? 0.1382 0.1360 0.0597 -0.0044 0.0031  -0.0063 59  MET A N   
685  N N   B MET A 43  ? 0.1746 0.1766 0.1021 0.0066  0.0155  -0.0023 59  MET A N   
686  C CA  A MET A 43  ? 0.1494 0.1485 0.0591 -0.0117 0.0157  -0.0087 59  MET A CA  
687  C CA  B MET A 43  ? 0.2117 0.2185 0.1397 0.0188  0.0244  -0.0076 59  MET A CA  
688  C C   A MET A 43  ? 0.1482 0.1412 0.0749 -0.0082 0.0086  -0.0128 59  MET A C   
689  C C   B MET A 43  ? 0.1867 0.1895 0.1370 0.0096  0.0140  -0.0232 59  MET A C   
690  O O   A MET A 43  ? 0.1394 0.1526 0.0800 -0.0027 0.0016  -0.0193 59  MET A O   
691  O O   B MET A 43  ? 0.1913 0.1923 0.1396 0.0110  0.0139  -0.0209 59  MET A O   
692  C CB  A MET A 43  ? 0.1759 0.1757 0.0846 -0.0132 0.0204  -0.0020 59  MET A CB  
693  C CB  B MET A 43  ? 0.2642 0.2843 0.1781 0.0384  0.0399  0.0009  59  MET A CB  
694  C CG  A MET A 43  ? 0.1608 0.1795 0.1185 -0.0072 0.0003  -0.0055 59  MET A CG  
695  C CG  B MET A 43  ? 0.3053 0.3368 0.2104 0.0554  0.0570  0.0045  59  MET A CG  
696  S SD  A MET A 43  ? 0.2064 0.2069 0.1001 -0.0369 -0.0055 -0.0051 59  MET A SD  
697  S SD  B MET A 43  ? 0.3336 0.3747 0.2300 0.0765  0.0624  0.0061  59  MET A SD  
698  C CE  A MET A 43  ? 0.2647 0.2336 0.1326 -0.0678 0.0074  0.0256  59  MET A CE  
699  C CE  B MET A 43  ? 0.3533 0.3944 0.2371 0.0832  0.0690  0.0123  59  MET A CE  
718  N N   . GLU A 44  ? 0.1563 0.1506 0.1235 0.0012  0.0012  -0.0385 60  GLU A N   
719  C CA  . GLU A 44  ? 0.1549 0.1558 0.1273 0.0067  0.0000  -0.0498 60  GLU A CA  
720  C C   . GLU A 44  ? 0.1802 0.1340 0.1286 -0.0056 -0.0210 -0.0342 60  GLU A C   
721  O O   . GLU A 44  ? 0.1688 0.1551 0.1451 -0.0031 -0.0086 -0.0047 60  GLU A O   
722  C CB  . GLU A 44  ? 0.1656 0.1810 0.1011 -0.0087 -0.0024 -0.0589 60  GLU A CB  
723  C CG  . GLU A 44  ? 0.1704 0.1988 0.0960 -0.0126 0.0098  -0.0431 60  GLU A CG  
724  C CD  . GLU A 44  ? 0.1982 0.2487 0.0896 -0.0127 0.0070  -0.0313 60  GLU A CD  
725  O OE1 . GLU A 44  ? 0.2319 0.2644 0.1016 0.0212  0.0158  -0.0033 60  GLU A OE1 
726  O OE2 . GLU A 44  ? 0.1856 0.2677 0.0908 -0.0311 0.0238  -0.0031 60  GLU A OE2 
733  N N   . ASP A 45  ? 0.1598 0.1379 0.1285 -0.0050 -0.0023 -0.0406 61  ASP A N   
734  C CA  . ASP A 45  ? 0.1675 0.1453 0.1437 -0.0272 0.0045  -0.0270 61  ASP A CA  
735  C C   . ASP A 45  ? 0.1506 0.1467 0.1141 -0.0187 0.0015  -0.0356 61  ASP A C   
736  O O   . ASP A 45  ? 0.1597 0.1721 0.1340 -0.0203 0.0044  -0.0178 61  ASP A O   
737  C CB  . ASP A 45  ? 0.1733 0.1835 0.1756 -0.0343 -0.0016 -0.0504 61  ASP A CB  
738  C CG  . ASP A 45  ? 0.1974 0.2457 0.1942 -0.0624 -0.0435 -0.0605 61  ASP A CG  
739  O OD1 . ASP A 45  ? 0.2107 0.2624 0.1667 -0.0133 -0.0383 -0.0730 61  ASP A OD1 
740  O OD2 . ASP A 45  ? 0.2667 0.3328 0.2418 -0.0923 -0.0730 -0.0454 61  ASP A OD2 
745  N N   . LYS A 46  ? 0.1428 0.1407 0.0927 -0.0011 -0.0074 -0.0254 62  LYS A N   
746  C CA  . LYS A 46  ? 0.1382 0.1462 0.0798 0.0005  -0.0063 -0.0159 62  LYS A CA  
747  C C   . LYS A 46  ? 0.1253 0.1239 0.0691 -0.0074 -0.0044 -0.0005 62  LYS A C   
748  O O   . LYS A 46  ? 0.1288 0.1284 0.0702 -0.0012 -0.0040 -0.0065 62  LYS A O   
749  C CB  . LYS A 46  ? 0.1758 0.1610 0.0641 0.0236  -0.0038 -0.0148 62  LYS A CB  
750  C CG  . LYS A 46  ? 0.2236 0.1916 0.0687 0.0215  -0.0118 -0.0136 62  LYS A CG  
751  C CD  . LYS A 46  ? 0.3298 0.2332 0.0825 -0.0042 -0.0015 0.0019  62  LYS A CD  
752  C CE  . LYS A 46  ? 0.3417 0.2694 0.1127 -0.0224 0.0052  0.0014  62  LYS A CE  
753  N NZ  . LYS A 46  ? 0.3178 0.2856 0.1312 -0.0160 0.0058  0.0016  62  LYS A NZ  
767  N N   . ASN A 47  ? 0.1088 0.1273 0.0535 -0.0039 -0.0035 -0.0096 63  ASN A N   
768  C CA  . ASN A 47  ? 0.1066 0.1079 0.0552 -0.0049 -0.0053 0.0028  63  ASN A CA  
769  C C   . ASN A 47  ? 0.1128 0.1095 0.0572 -0.0043 -0.0143 0.0024  63  ASN A C   
770  O O   . ASN A 47  ? 0.1195 0.1301 0.0754 -0.0027 -0.0156 0.0121  63  ASN A O   
771  C CB  . ASN A 47  ? 0.1084 0.1121 0.0577 -0.0065 -0.0085 0.0010  63  ASN A CB  
772  C CG  . ASN A 47  ? 0.1179 0.1111 0.0720 -0.0040 -0.0131 -0.0028 63  ASN A CG  
773  O OD1 . ASN A 47  ? 0.1233 0.1211 0.0853 -0.0028 -0.0035 -0.0051 63  ASN A OD1 
774  N ND2 . ASN A 47  ? 0.1245 0.1247 0.0693 -0.0018 -0.0112 -0.0002 63  ASN A ND2 
781  N N   . ILE A 48  ? 0.1213 0.1155 0.0718 -0.0027 -0.0120 0.0141  64  ILE A N   
782  C CA  . ILE A 48  ? 0.1186 0.1265 0.0847 -0.0013 -0.0159 0.0147  64  ILE A CA  
783  C C   . ILE A 48  ? 0.1152 0.1127 0.0978 0.0029  -0.0156 0.0170  64  ILE A C   
784  O O   . ILE A 48  ? 0.1539 0.1156 0.1113 0.0081  -0.0340 0.0193  64  ILE A O   
785  C CB  . ILE A 48  ? 0.1177 0.1299 0.0704 -0.0109 -0.0095 0.0126  64  ILE A CB  
786  C CG1 . ILE A 48  ? 0.1188 0.1246 0.0602 -0.0061 -0.0030 0.0076  64  ILE A CG1 
787  C CG2 . ILE A 48  ? 0.1320 0.1385 0.0735 -0.0145 -0.0080 0.0098  64  ILE A CG2 
788  C CD1 . ILE A 48  ? 0.1103 0.1340 0.0772 -0.0126 0.0143  -0.0007 64  ILE A CD1 
800  N N   A ILE A 49  ? 0.1148 0.1077 0.0738 0.0033  0.0202  0.0164  65  ILE A N   
801  N N   B ILE A 49  ? 0.1151 0.1125 0.0952 0.0126  -0.0306 -0.0007 65  ILE A N   
802  C CA  A ILE A 49  ? 0.1021 0.0991 0.0877 0.0211  0.0067  0.0066  65  ILE A CA  
803  C CA  B ILE A 49  ? 0.1412 0.1205 0.1117 0.0071  -0.0105 -0.0065 65  ILE A CA  
804  C C   A ILE A 49  ? 0.0990 0.0973 0.0706 0.0012  -0.0074 -0.0049 65  ILE A C   
805  C C   B ILE A 49  ? 0.1294 0.1157 0.0902 0.0180  -0.0102 -0.0123 65  ILE A C   
806  O O   A ILE A 49  ? 0.1024 0.0734 0.0745 -0.0090 -0.0172 -0.0152 65  ILE A O   
807  O O   B ILE A 49  ? 0.1050 0.0900 0.0882 0.0005  -0.0209 -0.0235 65  ILE A O   
808  C CB  A ILE A 49  ? 0.1470 0.0965 0.0897 0.0246  -0.0047 -0.0040 65  ILE A CB  
809  C CB  B ILE A 49  ? 0.1861 0.1138 0.1234 -0.0280 0.0054  -0.0113 65  ILE A CB  
810  C CG1 A ILE A 49  ? 0.1815 0.0942 0.0733 0.0274  -0.0069 -0.0069 65  ILE A CG1 
811  C CG1 B ILE A 49  ? 0.2074 0.1358 0.1187 0.0038  -0.0029 -0.0023 65  ILE A CG1 
812  C CG2 A ILE A 49  ? 0.1199 0.1199 0.1034 0.0148  -0.0352 -0.0257 65  ILE A CG2 
813  C CG2 B ILE A 49  ? 0.2176 0.1470 0.1316 -0.0480 0.0237  -0.0270 65  ILE A CG2 
814  C CD1 A ILE A 49  ? 0.2120 0.1361 0.0848 0.0493  -0.0277 -0.0102 65  ILE A CD1 
815  C CD1 B ILE A 49  ? 0.2332 0.1479 0.1271 -0.0074 -0.0331 -0.0067 65  ILE A CD1 
838  N N   A GLN A 50  ? 0.1033 0.0987 0.0542 0.0112  -0.0168 -0.0119 66  GLN A N   
839  N N   B GLN A 50  ? 0.1338 0.1075 0.0816 0.0154  -0.0114 -0.0168 66  GLN A N   
840  C CA  A GLN A 50  ? 0.1146 0.0913 0.0672 0.0194  0.0125  -0.0076 66  GLN A CA  
841  C CA  B GLN A 50  ? 0.1251 0.1216 0.0898 0.0082  -0.0318 -0.0142 66  GLN A CA  
842  C C   A GLN A 50  ? 0.1021 0.0971 0.0620 0.0139  0.0035  0.0037  66  GLN A C   
843  C C   B GLN A 50  ? 0.1336 0.1144 0.0867 0.0073  -0.0282 -0.0160 66  GLN A C   
844  O O   A GLN A 50  ? 0.1257 0.1098 0.0608 0.0212  -0.0017 -0.0015 66  GLN A O   
845  O O   B GLN A 50  ? 0.1558 0.1214 0.1059 0.0262  -0.0422 -0.0223 66  GLN A O   
846  C CB  A GLN A 50  ? 0.1038 0.0906 0.0745 0.0124  -0.0071 -0.0125 66  GLN A CB  
847  C CB  B GLN A 50  ? 0.1432 0.1178 0.0923 0.0268  -0.0378 -0.0070 66  GLN A CB  
848  C CG  A GLN A 50  ? 0.1026 0.0928 0.0805 0.0134  0.0095  -0.0147 66  GLN A CG  
849  C CG  B GLN A 50  ? 0.1454 0.1149 0.0813 0.0084  -0.0196 -0.0091 66  GLN A CG  
850  C CD  A GLN A 50  ? 0.0979 0.1023 0.0948 0.0027  0.0004  -0.0190 66  GLN A CD  
851  C CD  B GLN A 50  ? 0.1922 0.1483 0.0939 -0.0049 0.0040  -0.0220 66  GLN A CD  
852  O OE1 A GLN A 50  ? 0.1063 0.0979 0.0811 0.0024  -0.0066 -0.0135 66  GLN A OE1 
853  O OE1 B GLN A 50  ? 0.1909 0.1440 0.0929 -0.0056 -0.0020 -0.0262 66  GLN A OE1 
854  N NE2 A GLN A 50  ? 0.0942 0.1229 0.1195 -0.0066 0.0118  -0.0268 66  GLN A NE2 
855  N NE2 B GLN A 50  ? 0.2221 0.1718 0.1075 -0.0103 0.0200  -0.0444 66  GLN A NE2 
872  N N   . PHE A 51  ? 0.1156 0.0973 0.0714 0.0183  -0.0054 -0.0116 67  PHE A N   
873  C CA  . PHE A 51  ? 0.1135 0.0985 0.0659 0.0121  -0.0057 -0.0118 67  PHE A CA  
874  C C   . PHE A 51  ? 0.0993 0.0897 0.0577 0.0030  -0.0110 -0.0119 67  PHE A C   
875  O O   . PHE A 51  ? 0.1115 0.0990 0.0634 0.0100  -0.0063 -0.0023 67  PHE A O   
876  C CB  . PHE A 51  ? 0.1202 0.1090 0.0670 0.0073  -0.0023 -0.0005 67  PHE A CB  
877  C CG  . PHE A 51  ? 0.1097 0.1077 0.0843 0.0017  -0.0016 -0.0058 67  PHE A CG  
878  C CD1 . PHE A 51  ? 0.1359 0.1265 0.0884 -0.0004 -0.0109 -0.0044 67  PHE A CD1 
879  C CD2 . PHE A 51  ? 0.1371 0.1087 0.0891 0.0039  -0.0043 0.0042  67  PHE A CD2 
880  C CE1 . PHE A 51  ? 0.1718 0.1446 0.0856 -0.0094 -0.0145 -0.0137 67  PHE A CE1 
881  C CE2 . PHE A 51  ? 0.1409 0.0952 0.1104 -0.0058 0.0074  -0.0092 67  PHE A CE2 
882  C CZ  . PHE A 51  ? 0.1408 0.1161 0.1090 -0.0127 0.0014  -0.0206 67  PHE A CZ  
892  N N   . VAL A 52  ? 0.1144 0.0942 0.0765 -0.0001 0.0018  -0.0085 68  VAL A N   
893  C CA  . VAL A 52  ? 0.1236 0.1142 0.0952 -0.0071 0.0151  -0.0091 68  VAL A CA  
894  C C   . VAL A 52  ? 0.1194 0.1203 0.0933 -0.0019 0.0174  -0.0101 68  VAL A C   
895  O O   . VAL A 52  ? 0.1298 0.1243 0.1021 0.0194  0.0154  0.0039  68  VAL A O   
896  C CB  . VAL A 52  ? 0.1432 0.1400 0.1260 -0.0374 0.0259  -0.0234 68  VAL A CB  
897  C CG1 . VAL A 52  ? 0.1392 0.1239 0.1410 -0.0051 0.0143  -0.0013 68  VAL A CG1 
898  C CG2 . VAL A 52  ? 0.1811 0.1446 0.1367 -0.0573 0.0558  -0.0323 68  VAL A CG2 
908  N N   . HIS A 53  ? 0.1443 0.1166 0.0880 0.0118  0.0251  -0.0071 69  HIS A N   
909  C CA  . HIS A 53  ? 0.1921 0.1201 0.0885 0.0215  0.0379  0.0035  69  HIS A CA  
910  C C   . HIS A 53  ? 0.1752 0.1282 0.0960 0.0272  0.0330  -0.0164 69  HIS A C   
911  O O   . HIS A 53  ? 0.1982 0.1279 0.1214 0.0455  0.0547  -0.0095 69  HIS A O   
912  C CB  . HIS A 53  ? 0.1727 0.1413 0.1233 0.0295  0.0689  0.0068  69  HIS A CB  
913  C CG  . HIS A 53  ? 0.1900 0.1422 0.1362 0.0113  0.0585  0.0187  69  HIS A CG  
914  N ND1 . HIS A 53  ? 0.2131 0.1509 0.1366 0.0041  0.0689  0.0263  69  HIS A ND1 
915  C CD2 . HIS A 53  ? 0.1564 0.1473 0.1338 -0.0200 0.0414  0.0169  69  HIS A CD2 
916  C CE1 . HIS A 53  ? 0.2356 0.1479 0.1460 -0.0016 0.0683  0.0107  69  HIS A CE1 
917  N NE2 . HIS A 53  ? 0.2196 0.1615 0.1505 -0.0473 0.0398  0.0131  69  HIS A NE2 
925  N N   . GLY A 54  ? 0.1799 0.1120 0.0907 0.0103  -0.0067 -0.0155 70  GLY A N   
926  C CA  . GLY A 54  ? 0.1829 0.1146 0.0951 0.0015  -0.0051 -0.0216 70  GLY A CA  
927  C C   . GLY A 54  ? 0.1546 0.1056 0.1000 0.0122  -0.0016 -0.0231 70  GLY A C   
928  O O   . GLY A 54  ? 0.1694 0.1081 0.1075 -0.0045 -0.0077 -0.0126 70  GLY A O   
932  N N   . GLU A 55  ? 0.1442 0.0986 0.0953 0.0104  -0.0013 -0.0138 71  GLU A N   
933  C CA  . GLU A 55  ? 0.1445 0.0991 0.0983 0.0118  -0.0018 -0.0111 71  GLU A CA  
934  C C   . GLU A 55  ? 0.1141 0.1062 0.0983 0.0071  -0.0119 -0.0021 71  GLU A C   
935  O O   . GLU A 55  ? 0.1368 0.0983 0.1014 0.0091  -0.0043 -0.0062 71  GLU A O   
936  C CB  . GLU A 55  ? 0.1525 0.1111 0.1375 0.0234  0.0036  -0.0191 71  GLU A CB  
937  C CG  . GLU A 55  ? 0.1801 0.1392 0.1750 0.0236  0.0389  -0.0247 71  GLU A CG  
938  C CD  . GLU A 55  ? 0.1827 0.1607 0.2201 0.0475  0.0382  -0.0135 71  GLU A CD  
939  O OE1 . GLU A 55  ? 0.1668 0.2116 0.2517 0.0688  0.0574  0.0317  71  GLU A OE1 
940  O OE2 . GLU A 55  ? 0.1733 0.1381 0.2306 0.0152  -0.0344 -0.0365 71  GLU A OE2 
947  N N   . GLU A 56  ? 0.1266 0.0923 0.0933 0.0054  -0.0041 -0.0058 72  GLU A N   
948  C CA  . GLU A 56  ? 0.1368 0.0974 0.0993 0.0063  -0.0100 -0.0138 72  GLU A CA  
949  C C   . GLU A 56  ? 0.1294 0.1082 0.1105 0.0049  -0.0215 -0.0174 72  GLU A C   
950  O O   . GLU A 56  ? 0.1299 0.1178 0.2075 0.0182  -0.0425 -0.0378 72  GLU A O   
951  C CB  . GLU A 56  ? 0.1356 0.1040 0.0898 0.0150  -0.0165 -0.0118 72  GLU A CB  
952  C CG  . GLU A 56  ? 0.1465 0.1169 0.1020 0.0193  0.0000  -0.0132 72  GLU A CG  
953  C CD  . GLU A 56  ? 0.1502 0.1360 0.1248 0.0080  0.0158  -0.0087 72  GLU A CD  
954  O OE1 . GLU A 56  ? 0.1810 0.1341 0.1554 0.0187  0.0213  0.0351  72  GLU A OE1 
955  O OE2 . GLU A 56  ? 0.1614 0.1847 0.1561 0.0189  0.0348  0.0194  72  GLU A OE2 
962  N N   A ASP A 57  ? 0.1168 0.1092 0.0892 0.0181  -0.0142 -0.0113 73  ASP A N   
963  N N   B ASP A 57  ? 0.1551 0.1261 0.1152 -0.0034 -0.0284 -0.0099 73  ASP A N   
964  C CA  A ASP A 57  ? 0.1148 0.1073 0.0968 0.0102  -0.0123 -0.0124 73  ASP A CA  
965  C CA  B ASP A 57  ? 0.1729 0.1490 0.1248 -0.0017 -0.0272 -0.0044 73  ASP A CA  
966  C C   A ASP A 57  ? 0.1176 0.1027 0.1014 0.0026  -0.0219 -0.0076 73  ASP A C   
967  C C   B ASP A 57  ? 0.1596 0.1286 0.1178 0.0021  -0.0251 -0.0031 73  ASP A C   
968  O O   A ASP A 57  ? 0.1548 0.1154 0.1048 0.0081  -0.0283 -0.0172 73  ASP A O   
969  O O   B ASP A 57  ? 0.1980 0.1295 0.1244 0.0320  -0.0285 0.0027  73  ASP A O   
970  C CB  A ASP A 57  ? 0.1569 0.1031 0.0947 -0.0045 0.0087  -0.0085 73  ASP A CB  
971  C CB  B ASP A 57  ? 0.1968 0.1764 0.1358 -0.0144 -0.0281 0.0082  73  ASP A CB  
972  C CG  A ASP A 57  ? 0.1738 0.1138 0.0891 -0.0154 0.0068  -0.0034 73  ASP A CG  
973  C CG  B ASP A 57  ? 0.1919 0.1975 0.1424 -0.0242 -0.0348 0.0154  73  ASP A CG  
974  O OD1 A ASP A 57  ? 0.1812 0.1314 0.0822 0.0117  0.0004  -0.0134 73  ASP A OD1 
975  O OD1 B ASP A 57  ? 0.2202 0.1985 0.1571 -0.0189 -0.0327 0.0211  73  ASP A OD1 
976  O OD2 A ASP A 57  ? 0.2025 0.1444 0.0941 -0.0011 0.0133  -0.0226 73  ASP A OD2 
977  O OD2 B ASP A 57  ? 0.2353 0.2226 0.1504 -0.0439 -0.0157 0.0166  73  ASP A OD2 
986  N N   . LEU A 58  ? 0.1336 0.1186 0.1011 0.0056  -0.0137 -0.0109 74  LEU A N   
987  C CA  . LEU A 58  ? 0.1421 0.1349 0.1083 0.0013  -0.0068 -0.0037 74  LEU A CA  
988  C C   . LEU A 58  ? 0.1462 0.1336 0.0976 0.0169  -0.0035 0.0003  74  LEU A C   
989  O O   . LEU A 58  ? 0.1577 0.1560 0.0964 -0.0058 0.0003  -0.0144 74  LEU A O   
990  C CB  . LEU A 58  ? 0.1810 0.1288 0.1188 -0.0045 0.0019  -0.0023 74  LEU A CB  
991  C CG  . LEU A 58  ? 0.1963 0.1238 0.1169 -0.0271 0.0084  -0.0044 74  LEU A CG  
992  C CD1 . LEU A 58  ? 0.2439 0.1239 0.1304 -0.0410 0.0264  -0.0079 74  LEU A CD1 
993  C CD2 . LEU A 58  ? 0.1714 0.1690 0.1322 -0.0207 0.0103  -0.0099 74  LEU A CD2 
1005 N N   A LYS A 59  ? 0.1285 0.1150 0.1047 0.0253  -0.0205 0.0137  75  LYS A N   
1006 N N   B LYS A 59  ? 0.1384 0.1520 0.1055 0.0091  -0.0005 -0.0207 75  LYS A N   
1007 C CA  A LYS A 59  ? 0.1254 0.1330 0.1191 0.0064  -0.0311 0.0150  75  LYS A CA  
1008 C CA  B LYS A 59  ? 0.1406 0.1759 0.1170 0.0115  -0.0152 -0.0353 75  LYS A CA  
1009 C C   A LYS A 59  ? 0.1302 0.1513 0.1119 -0.0226 -0.0402 0.0144  75  LYS A C   
1010 C C   B LYS A 59  ? 0.1272 0.1613 0.1160 0.0079  0.0022  -0.0325 75  LYS A C   
1011 O O   A LYS A 59  ? 0.1787 0.1702 0.0984 -0.0332 -0.0283 0.0112  75  LYS A O   
1012 O O   B LYS A 59  ? 0.1126 0.1686 0.1503 0.0147  -0.0054 -0.0436 75  LYS A O   
1013 C CB  A LYS A 59  ? 0.1261 0.1554 0.1555 0.0309  -0.0113 0.0030  75  LYS A CB  
1014 C CB  B LYS A 59  ? 0.1417 0.2163 0.1504 0.0207  -0.0373 -0.0443 75  LYS A CB  
1015 C CG  A LYS A 59  ? 0.1416 0.1825 0.1898 0.0494  0.0104  -0.0026 75  LYS A CG  
1016 C CG  B LYS A 59  ? 0.1759 0.2497 0.1754 0.0525  -0.0113 -0.0627 75  LYS A CG  
1017 C CD  A LYS A 59  ? 0.1241 0.2002 0.2163 0.0546  0.0263  -0.0147 75  LYS A CD  
1018 C CD  B LYS A 59  ? 0.1847 0.2901 0.1927 0.0406  -0.0175 -0.0687 75  LYS A CD  
1019 C CE  A LYS A 59  ? 0.1666 0.2271 0.2274 0.0539  0.0460  -0.0128 75  LYS A CE  
1020 C CE  B LYS A 59  ? 0.2549 0.3187 0.2134 0.0450  -0.0077 -0.0654 75  LYS A CE  
1021 N NZ  A LYS A 59  ? 0.2254 0.2615 0.2337 0.0417  0.0461  -0.0151 75  LYS A NZ  
1022 N NZ  B LYS A 59  ? 0.2882 0.3136 0.2254 0.0528  0.0006  -0.0618 75  LYS A NZ  
1049 N N   A VAL A 60  ? 0.1219 0.1287 0.1079 -0.0163 -0.0439 0.0145  76  VAL A N   
1050 N N   B VAL A 60  ? 0.1146 0.1346 0.1041 0.0077  0.0335  -0.0100 76  VAL A N   
1051 C CA  A VAL A 60  ? 0.1357 0.1377 0.1180 -0.0282 -0.0135 0.0052  76  VAL A CA  
1052 C CA  B VAL A 60  ? 0.1359 0.1222 0.1099 0.0137  0.0383  -0.0104 76  VAL A CA  
1053 C C   A VAL A 60  ? 0.1275 0.1389 0.1012 -0.0142 -0.0209 -0.0010 76  VAL A C   
1054 C C   B VAL A 60  ? 0.1340 0.1242 0.0823 0.0164  0.0013  0.0021  76  VAL A C   
1055 O O   A VAL A 60  ? 0.1284 0.1390 0.1176 -0.0132 -0.0076 -0.0091 76  VAL A O   
1056 O O   B VAL A 60  ? 0.1608 0.1203 0.0752 0.0088  0.0204  -0.0034 76  VAL A O   
1057 C CB  A VAL A 60  ? 0.2012 0.1695 0.1242 -0.0204 0.0219  0.0206  76  VAL A CB  
1058 C CB  B VAL A 60  ? 0.1907 0.1377 0.1427 0.0258  0.0897  0.0296  76  VAL A CB  
1059 C CG1 A VAL A 60  ? 0.1080 0.1429 0.0997 0.0008  -0.0029 0.0016  76  VAL A CG1 
1060 C CG1 B VAL A 60  ? 0.2100 0.1566 0.1594 0.0298  0.0697  0.0275  76  VAL A CG1 
1061 C CG2 A VAL A 60  ? 0.2013 0.1825 0.1153 -0.0508 0.0085  -0.0068 76  VAL A CG2 
1062 C CG2 B VAL A 60  ? 0.2566 0.1201 0.1091 0.0513  0.0062  -0.0035 76  VAL A CG2 
1081 N N   . GLN A 61  ? 0.1227 0.1279 0.0869 -0.0046 0.0084  -0.0006 77  GLN A N   
1082 C CA  . GLN A 61  ? 0.1205 0.1275 0.0838 -0.0024 -0.0015 0.0075  77  GLN A CA  
1083 C C   . GLN A 61  ? 0.1203 0.1415 0.0754 0.0031  -0.0123 0.0092  77  GLN A C   
1084 O O   . GLN A 61  ? 0.1314 0.1693 0.0937 0.0155  -0.0160 0.0034  77  GLN A O   
1085 C CB  . GLN A 61  ? 0.1235 0.1372 0.0809 -0.0020 0.0013  0.0116  77  GLN A CB  
1086 C CG  . GLN A 61  ? 0.1304 0.1332 0.0726 0.0089  -0.0090 0.0037  77  GLN A CG  
1087 C CD  . GLN A 61  ? 0.1336 0.1179 0.0833 0.0097  -0.0004 0.0206  77  GLN A CD  
1088 O OE1 . GLN A 61  ? 0.1547 0.1249 0.1207 0.0087  -0.0097 0.0210  77  GLN A OE1 
1089 N NE2 . GLN A 61  ? 0.1336 0.1170 0.0952 0.0073  -0.0047 0.0102  77  GLN A NE2 
1098 N N   . HIS A 62  ? 0.1207 0.1382 0.0693 0.0020  -0.0122 0.0000  78  HIS A N   
1099 C CA  . HIS A 62  ? 0.1250 0.1474 0.0733 0.0033  -0.0078 0.0041  78  HIS A CA  
1100 C C   . HIS A 62  ? 0.1238 0.1529 0.0702 0.0122  -0.0131 0.0056  78  HIS A C   
1101 O O   . HIS A 62  ? 0.1363 0.1519 0.0728 0.0010  -0.0122 0.0090  78  HIS A O   
1102 C CB  . HIS A 62  ? 0.1276 0.1532 0.0826 0.0044  -0.0093 -0.0068 78  HIS A CB  
1103 C CG  . HIS A 62  ? 0.1496 0.1738 0.0911 0.0044  -0.0059 -0.0084 78  HIS A CG  
1104 N ND1 . HIS A 62  ? 0.1909 0.1908 0.0863 -0.0093 -0.0089 -0.0032 78  HIS A ND1 
1105 C CD2 . HIS A 62  ? 0.1932 0.1798 0.0989 -0.0036 -0.0073 -0.0194 78  HIS A CD2 
1106 C CE1 . HIS A 62  ? 0.2129 0.2088 0.0826 -0.0076 -0.0057 -0.0137 78  HIS A CE1 
1107 N NE2 . HIS A 62  ? 0.2034 0.2014 0.0979 -0.0116 -0.0168 -0.0243 78  HIS A NE2 
1115 N N   . SER A 63  ? 0.1295 0.1831 0.0786 0.0028  -0.0210 0.0218  79  SER A N   
1116 C CA  . SER A 63  ? 0.1560 0.2131 0.1038 -0.0016 -0.0276 0.0469  79  SER A CA  
1117 C C   . SER A 63  ? 0.1569 0.1982 0.0905 0.0017  -0.0204 0.0324  79  SER A C   
1118 O O   . SER A 63  ? 0.1796 0.2121 0.0956 0.0051  -0.0293 0.0423  79  SER A O   
1119 C CB  . SER A 63  ? 0.1667 0.2550 0.1221 -0.0137 -0.0408 0.0729  79  SER A CB  
1120 O OG  . SER A 63  ? 0.1916 0.3209 0.1209 -0.0445 -0.0531 0.0548  79  SER A OG  
1126 N N   . SER A 64  ? 0.1701 0.2113 0.0746 -0.0120 -0.0196 0.0145  80  SER A N   
1127 C CA  . SER A 64  ? 0.1567 0.2050 0.0877 -0.0063 0.0036  0.0066  80  SER A CA  
1128 C C   . SER A 64  ? 0.1694 0.2035 0.0892 -0.0135 0.0086  0.0123  80  SER A C   
1129 O O   . SER A 64  ? 0.1858 0.2468 0.0938 -0.0410 0.0186  0.0061  80  SER A O   
1130 C CB  . SER A 64  ? 0.1659 0.2118 0.0942 -0.0058 0.0004  -0.0004 80  SER A CB  
1131 O OG  . SER A 64  ? 0.1954 0.2052 0.1317 0.0180  -0.0180 0.0016  80  SER A OG  
1137 N N   . TYR A 65  ? 0.1359 0.1794 0.0815 -0.0008 0.0016  0.0064  81  TYR A N   
1138 C CA  . TYR A 65  ? 0.1349 0.1731 0.0871 0.0021  -0.0060 0.0026  81  TYR A CA  
1139 C C   . TYR A 65  ? 0.1507 0.1724 0.1039 0.0048  0.0004  -0.0006 81  TYR A C   
1140 O O   . TYR A 65  ? 0.1582 0.1562 0.0963 0.0017  0.0035  0.0054  81  TYR A O   
1141 C CB  . TYR A 65  ? 0.1365 0.1654 0.0715 -0.0040 0.0020  0.0109  81  TYR A CB  
1142 C CG  . TYR A 65  ? 0.1370 0.1595 0.0769 -0.0013 -0.0006 0.0168  81  TYR A CG  
1143 C CD1 . TYR A 65  ? 0.1435 0.1472 0.0842 -0.0055 0.0077  0.0090  81  TYR A CD1 
1144 C CD2 . TYR A 65  ? 0.1086 0.1547 0.0760 -0.0034 -0.0004 0.0131  81  TYR A CD2 
1145 C CE1 . TYR A 65  ? 0.1271 0.1564 0.0700 0.0101  0.0158  0.0213  81  TYR A CE1 
1146 C CE2 . TYR A 65  ? 0.1094 0.1397 0.0687 -0.0017 -0.0154 0.0194  81  TYR A CE2 
1147 C CZ  . TYR A 65  ? 0.1279 0.1379 0.0753 0.0105  0.0085  0.0157  81  TYR A CZ  
1148 O OH  . TYR A 65  ? 0.1505 0.1524 0.1126 0.0091  0.0024  0.0146  81  TYR A OH  
1158 N N   . ARG A 66  ? 0.1486 0.2046 0.1347 0.0230  -0.0107 0.0014  82  ARG A N   
1159 C CA  . ARG A 66  ? 0.1725 0.2275 0.1691 0.0573  -0.0100 -0.0076 82  ARG A CA  
1160 C C   . ARG A 66  ? 0.1809 0.2040 0.1366 0.0563  0.0072  0.0275  82  ARG A C   
1161 O O   . ARG A 66  ? 0.2108 0.2276 0.1434 0.0656  -0.0025 0.0433  82  ARG A O   
1162 C CB  . ARG A 66  ? 0.2114 0.3036 0.2357 0.1008  -0.0409 -0.0378 82  ARG A CB  
1163 C CG  . ARG A 66  ? 0.2641 0.3720 0.2971 0.1411  -0.0438 -0.0530 82  ARG A CG  
1164 C CD  . ARG A 66  ? 0.3030 0.4188 0.3523 0.1790  -0.0518 -0.0544 82  ARG A CD  
1165 N NE  . ARG A 66  ? 0.3721 0.4509 0.3818 0.1754  -0.0586 -0.0619 82  ARG A NE  
1175 N N   . GLN A 67  ? 0.2012 0.1692 0.1353 0.0577  0.0146  0.0337  83  GLN A N   
1176 C CA  . GLN A 67  ? 0.2608 0.1587 0.1503 0.0443  0.0158  0.0513  83  GLN A CA  
1177 C C   . GLN A 67  ? 0.2376 0.1618 0.1339 0.0423  0.0164  0.0518  83  GLN A C   
1178 O O   . GLN A 67  ? 0.2621 0.1406 0.1691 0.0155  0.0468  0.0729  83  GLN A O   
1179 C CB  . GLN A 67  ? 0.3487 0.2062 0.2004 0.1059  0.0003  0.0575  83  GLN A CB  
1180 C CG  . GLN A 67  ? 0.3920 0.2361 0.2277 0.1173  -0.0236 0.0800  83  GLN A CG  
1181 C CD  . GLN A 67  ? 0.4007 0.3190 0.2327 0.1235  -0.0288 0.0686  83  GLN A CD  
1182 O OE1 . GLN A 67  ? 0.4240 0.3322 0.2391 0.1424  -0.0410 0.0600  83  GLN A OE1 
1183 N NE2 . GLN A 67  ? 0.3829 0.3278 0.2319 0.1221  -0.0716 0.0636  83  GLN A NE2 
1192 N N   A ARG A 68  ? 0.2220 0.1605 0.1102 0.0371  0.0023  0.0286  84  ARG A N   
1193 N N   B ARG A 68  ? 0.1721 0.1445 0.1068 0.0276  0.0056  0.0361  84  ARG A N   
1194 C CA  A ARG A 68  ? 0.2308 0.1749 0.0929 0.0183  0.0031  0.0144  84  ARG A CA  
1195 C CA  B ARG A 68  ? 0.1708 0.1493 0.0987 -0.0010 0.0221  0.0290  84  ARG A CA  
1196 C C   A ARG A 68  ? 0.1907 0.1725 0.0845 0.0124  0.0174  0.0090  84  ARG A C   
1197 C C   B ARG A 68  ? 0.1571 0.1307 0.1024 0.0242  0.0103  0.0210  84  ARG A C   
1198 O O   A ARG A 68  ? 0.1752 0.1918 0.0760 0.0156  0.0190  0.0132  84  ARG A O   
1199 O O   B ARG A 68  ? 0.1616 0.1412 0.1153 0.0155  0.0097  0.0222  84  ARG A O   
1200 C CB  A ARG A 68  ? 0.2639 0.1852 0.0967 0.0207  -0.0180 0.0138  84  ARG A CB  
1201 C CB  B ARG A 68  ? 0.1886 0.1661 0.1016 0.0046  0.0228  0.0285  84  ARG A CB  
1202 C CG  A ARG A 68  ? 0.3046 0.1961 0.1036 0.0245  -0.0174 0.0070  84  ARG A CG  
1203 C CG  B ARG A 68  ? 0.1875 0.1897 0.1124 0.0288  -0.0013 0.0162  84  ARG A CG  
1204 C CD  A ARG A 68  ? 0.3180 0.2067 0.1143 0.0317  -0.0222 0.0023  84  ARG A CD  
1205 C CD  B ARG A 68  ? 0.1828 0.1822 0.1071 0.0353  -0.0085 0.0181  84  ARG A CD  
1206 N NE  A ARG A 68  ? 0.2847 0.2076 0.1187 0.0510  -0.0226 -0.0088 84  ARG A NE  
1207 N NE  B ARG A 68  ? 0.1708 0.1864 0.0949 0.0175  0.0122  -0.0026 84  ARG A NE  
1208 C CZ  A ARG A 68  ? 0.2749 0.2002 0.1255 0.0645  -0.0147 -0.0170 84  ARG A CZ  
1209 C CZ  B ARG A 68  ? 0.1407 0.1889 0.0822 0.0325  0.0169  -0.0127 84  ARG A CZ  
1210 N NH1 A ARG A 68  ? 0.2594 0.2014 0.1319 0.0733  0.0079  -0.0074 84  ARG A NH1 
1211 N NH1 B ARG A 68  ? 0.1293 0.1607 0.0852 0.0059  0.0125  0.0061  84  ARG A NH1 
1212 N NH2 A ARG A 68  ? 0.2880 0.1985 0.1335 0.0518  -0.0215 -0.0090 84  ARG A NH2 
1213 N NH2 B ARG A 68  ? 0.1929 0.2082 0.0863 0.0190  0.0179  -0.0010 84  ARG A NH2 
1240 N N   . ALA A 69  ? 0.1475 0.1757 0.0794 0.0174  0.0082  0.0308  85  ALA A N   
1241 C CA  . ALA A 69  ? 0.1443 0.1438 0.0845 0.0188  0.0093  0.0135  85  ALA A CA  
1242 C C   . ALA A 69  ? 0.1492 0.1278 0.0841 0.0149  0.0144  0.0201  85  ALA A C   
1243 O O   . ALA A 69  ? 0.1487 0.1442 0.0828 0.0195  0.0111  0.0117  85  ALA A O   
1244 C CB  . ALA A 69  ? 0.1411 0.1412 0.0915 0.0135  -0.0057 0.0066  85  ALA A CB  
1250 N N   . ARG A 70  ? 0.1422 0.1317 0.0787 0.0264  0.0022  -0.0004 86  ARG A N   
1251 C CA  . ARG A 70  ? 0.1593 0.1350 0.0888 0.0357  0.0071  -0.0029 86  ARG A CA  
1252 C C   . ARG A 70  ? 0.1490 0.1235 0.0793 0.0292  0.0103  -0.0036 86  ARG A C   
1253 O O   . ARG A 70  ? 0.1637 0.1618 0.0799 0.0307  0.0216  0.0034  86  ARG A O   
1254 C CB  . ARG A 70  ? 0.1989 0.1434 0.1187 0.0484  -0.0075 -0.0099 86  ARG A CB  
1255 C CG  . ARG A 70  ? 0.2548 0.1226 0.1573 0.0138  -0.0231 0.0086  86  ARG A CG  
1256 C CD  . ARG A 70  ? 0.3732 0.2230 0.2379 0.0166  0.0101  0.0070  86  ARG A CD  
1257 N NE  . ARG A 70  ? 0.5213 0.3637 0.3276 0.0239  -0.0121 0.0227  86  ARG A NE  
1258 C CZ  . ARG A 70  ? 0.6218 0.4839 0.3877 0.0607  -0.0048 0.0086  86  ARG A CZ  
1259 N NH1 . ARG A 70  ? 0.6667 0.5245 0.4083 0.0935  -0.0026 0.0007  86  ARG A NH1 
1260 N NH2 . ARG A 70  ? 0.6322 0.5205 0.4073 0.0617  -0.0030 0.0019  86  ARG A NH2 
1274 N N   A LEU A 71  ? 0.1353 0.1171 0.0715 0.0203  0.0184  -0.0005 87  LEU A N   
1275 N N   B LEU A 71  ? 0.1646 0.1473 0.0942 0.0308  0.0122  0.0082  87  LEU A N   
1276 C CA  A LEU A 71  ? 0.1256 0.0949 0.0711 0.0245  0.0058  -0.0003 87  LEU A CA  
1277 C CA  B LEU A 71  ? 0.1717 0.1536 0.1097 0.0426  0.0257  0.0182  87  LEU A CA  
1278 C C   A LEU A 71  ? 0.1357 0.1121 0.0799 0.0305  0.0039  -0.0132 87  LEU A C   
1279 C C   B LEU A 71  ? 0.1643 0.1392 0.1068 0.0284  0.0189  0.0048  87  LEU A C   
1280 O O   A LEU A 71  ? 0.1547 0.1154 0.1243 0.0341  0.0003  -0.0199 87  LEU A O   
1281 O O   B LEU A 71  ? 0.1613 0.1371 0.1252 0.0209  0.0095  0.0123  87  LEU A O   
1282 C CB  A LEU A 71  ? 0.1421 0.0927 0.0873 0.0225  0.0201  0.0031  87  LEU A CB  
1283 C CB  B LEU A 71  ? 0.2103 0.1836 0.1340 0.0436  0.0600  0.0230  87  LEU A CB  
1284 C CG  A LEU A 71  ? 0.1202 0.1054 0.0858 0.0039  0.0179  -0.0153 87  LEU A CG  
1285 C CG  B LEU A 71  ? 0.2422 0.1928 0.1616 0.0340  0.0698  0.0336  87  LEU A CG  
1286 C CD1 A LEU A 71  ? 0.1482 0.1346 0.1115 0.0062  0.0399  0.0029  87  LEU A CD1 
1287 C CD1 B LEU A 71  ? 0.2577 0.1966 0.1727 0.0359  0.0820  0.0269  87  LEU A CD1 
1288 C CD2 A LEU A 71  ? 0.1501 0.1013 0.1568 0.0203  0.0442  0.0138  87  LEU A CD2 
1289 C CD2 B LEU A 71  ? 0.2398 0.1884 0.1661 0.0047  0.0871  0.0557  87  LEU A CD2 
1312 N N   . LEU A 72  ? 0.1587 0.1137 0.0963 0.0270  0.0081  -0.0102 88  LEU A N   
1313 C CA  . LEU A 72  ? 0.1484 0.1063 0.1074 0.0135  0.0077  -0.0039 88  LEU A CA  
1314 C C   . LEU A 72  ? 0.1613 0.1107 0.0952 0.0136  0.0006  -0.0151 88  LEU A C   
1315 O O   . LEU A 72  ? 0.1700 0.1113 0.1059 0.0182  -0.0065 -0.0034 88  LEU A O   
1316 C CB  . LEU A 72  ? 0.1725 0.1174 0.1213 0.0110  0.0197  -0.0137 88  LEU A CB  
1317 C CG  . LEU A 72  ? 0.1785 0.1236 0.1287 0.0162  0.0498  0.0068  88  LEU A CG  
1318 C CD1 . LEU A 72  ? 0.1599 0.1327 0.1540 0.0131  0.0561  0.0088  88  LEU A CD1 
1319 C CD2 . LEU A 72  ? 0.2074 0.1321 0.1203 0.0095  0.0412  -0.0089 88  LEU A CD2 
1331 N N   A LYS A 73  ? 0.1634 0.1192 0.0946 0.0387  0.0271  -0.0027 89  LYS A N   
1332 N N   B LYS A 73  ? 0.1853 0.1551 0.1081 0.0530  0.0339  -0.0107 89  LYS A N   
1333 C CA  A LYS A 73  ? 0.1718 0.0999 0.1025 0.0176  0.0225  0.0037  89  LYS A CA  
1334 C CA  B LYS A 73  ? 0.2183 0.1877 0.1298 0.0624  0.0384  -0.0137 89  LYS A CA  
1335 C C   A LYS A 73  ? 0.2177 0.1104 0.0931 0.0321  0.0154  0.0038  89  LYS A C   
1336 C C   B LYS A 73  ? 0.2323 0.1496 0.1185 0.0667  0.0431  -0.0068 89  LYS A C   
1337 O O   A LYS A 73  ? 0.2008 0.1243 0.0737 0.0454  0.0273  -0.0050 89  LYS A O   
1338 O O   B LYS A 73  ? 0.2115 0.1634 0.1206 0.0824  0.0514  0.0125  89  LYS A O   
1339 C CB  A LYS A 73  ? 0.1554 0.0885 0.1106 0.0047  0.0370  -0.0030 89  LYS A CB  
1340 C CB  B LYS A 73  ? 0.2552 0.2554 0.1679 0.0552  0.0550  -0.0268 89  LYS A CB  
1341 C CG  A LYS A 73  ? 0.1282 0.1030 0.1079 -0.0031 0.0240  -0.0106 89  LYS A CG  
1342 C CG  B LYS A 73  ? 0.2697 0.3061 0.2006 0.0318  0.0307  -0.0239 89  LYS A CG  
1343 C CD  A LYS A 73  ? 0.1429 0.1230 0.1387 -0.0124 0.0147  -0.0154 89  LYS A CD  
1344 C CD  B LYS A 73  ? 0.3145 0.3449 0.2308 0.0019  0.0080  -0.0328 89  LYS A CD  
1345 C CE  A LYS A 73  ? 0.1366 0.1112 0.1562 0.0145  0.0084  -0.0328 89  LYS A CE  
1346 C CE  B LYS A 73  ? 0.3402 0.3783 0.2450 -0.0238 0.0001  -0.0452 89  LYS A CE  
1347 N NZ  A LYS A 73  ? 0.1256 0.1143 0.1755 0.0317  0.0100  -0.0101 89  LYS A NZ  
1348 N NZ  B LYS A 73  ? 0.3443 0.3980 0.2558 -0.0287 -0.0001 -0.0397 89  LYS A NZ  
1375 N N   . ASP A 74  ? 0.2774 0.1138 0.0996 0.0293  0.0014  -0.0164 90  ASP A N   
1376 C CA  . ASP A 74  ? 0.3539 0.1126 0.1233 -0.0003 -0.0144 -0.0107 90  ASP A CA  
1377 C C   . ASP A 74  ? 0.2778 0.1519 0.1086 -0.0147 -0.0131 -0.0074 90  ASP A C   
1378 O O   . ASP A 74  ? 0.3241 0.2427 0.1202 0.0086  -0.0286 -0.0287 90  ASP A O   
1379 C CB  . ASP A 74  ? 0.4824 0.1589 0.1758 -0.0706 -0.0472 -0.0101 90  ASP A CB  
1380 C CG  . ASP A 74  ? 0.5111 0.1991 0.2245 -0.1354 -0.0244 0.0006  90  ASP A CG  
1381 O OD1 . ASP A 74  ? 0.4860 0.1867 0.2350 -0.1053 -0.0155 0.0435  90  ASP A OD1 
1382 O OD2 . ASP A 74  ? 0.5578 0.2181 0.2431 -0.1576 -0.0064 0.0089  90  ASP A OD2 
1387 N N   . GLN A 75  ? 0.2101 0.1279 0.1085 -0.0207 -0.0064 0.0051  91  GLN A N   
1388 C CA  . GLN A 75  ? 0.1764 0.1746 0.1111 -0.0338 0.0154  0.0260  91  GLN A CA  
1389 C C   . GLN A 75  ? 0.1733 0.1467 0.1052 0.0074  0.0211  0.0165  91  GLN A C   
1390 O O   . GLN A 75  ? 0.1808 0.1449 0.0919 -0.0050 0.0158  -0.0012 91  GLN A O   
1391 C CB  . GLN A 75  ? 0.1795 0.1863 0.1262 -0.0037 0.0267  0.0379  91  GLN A CB  
1392 C CG  . GLN A 75  ? 0.1859 0.2154 0.1324 -0.0307 0.0205  0.0236  91  GLN A CG  
1393 C CD  . GLN A 75  ? 0.2423 0.1700 0.1627 -0.0501 0.0167  0.0173  91  GLN A CD  
1394 O OE1 . GLN A 75  ? 0.2510 0.1723 0.1751 -0.0357 -0.0170 0.0068  91  GLN A OE1 
1395 N NE2 . GLN A 75  ? 0.2827 0.1843 0.2033 -0.0518 0.0159  -0.0011 91  GLN A NE2 
1404 N N   . LEU A 76  ? 0.1744 0.1240 0.1338 0.0125  0.0522  0.0225  92  LEU A N   
1405 C CA  . LEU A 76  ? 0.1920 0.1224 0.1359 -0.0039 0.0654  0.0106  92  LEU A CA  
1406 C C   . LEU A 76  ? 0.2559 0.1459 0.1249 -0.0515 0.0865  -0.0358 92  LEU A C   
1407 O O   . LEU A 76  ? 0.3148 0.1598 0.1027 -0.0851 0.0312  -0.0045 92  LEU A O   
1408 C CB  . LEU A 76  ? 0.2020 0.1266 0.1559 0.0010  0.0748  0.0056  92  LEU A CB  
1409 C CG  . LEU A 76  ? 0.1517 0.1213 0.1694 0.0165  0.0563  0.0216  92  LEU A CG  
1410 C CD1 . LEU A 76  ? 0.1482 0.1548 0.1927 0.0137  0.0731  0.0098  92  LEU A CD1 
1411 C CD2 . LEU A 76  ? 0.1413 0.1176 0.1401 0.0006  0.0393  0.0130  92  LEU A CD2 
1423 N N   A SER A 77  ? 0.3134 0.1739 0.1517 -0.0509 0.0881  -0.0591 93  SER A N   
1424 N N   B SER A 77  ? 0.3353 0.1695 0.1381 -0.0786 0.0831  -0.0276 93  SER A N   
1425 C CA  A SER A 77  ? 0.3556 0.2041 0.1565 -0.0576 0.0459  -0.0777 93  SER A CA  
1426 C CA  B SER A 77  ? 0.3917 0.1908 0.1381 -0.0932 0.0639  -0.0450 93  SER A CA  
1427 C C   A SER A 77  ? 0.3800 0.2284 0.1442 -0.0976 0.0499  -0.0620 93  SER A C   
1428 C C   B SER A 77  ? 0.3931 0.2227 0.1340 -0.1065 0.0549  -0.0449 93  SER A C   
1429 O O   A SER A 77  ? 0.4357 0.2663 0.1429 -0.1187 0.0255  -0.0478 93  SER A O   
1430 O O   B SER A 77  ? 0.4243 0.2617 0.1328 -0.1139 0.0389  -0.0370 93  SER A O   
1431 C CB  A SER A 77  ? 0.3574 0.2197 0.1913 -0.0204 0.0034  -0.0593 93  SER A CB  
1432 C CB  B SER A 77  ? 0.4505 0.1920 0.1459 -0.0754 0.0519  -0.0424 93  SER A CB  
1433 O OG  A SER A 77  ? 0.3248 0.1803 0.2159 -0.0449 -0.0467 -0.0665 93  SER A OG  
1434 O OG  B SER A 77  ? 0.4795 0.1624 0.1540 -0.0735 0.0264  -0.0302 93  SER A OG  
1445 N N   . LEU A 78  ? 0.3657 0.2012 0.1321 -0.1194 0.0405  -0.0429 94  LEU A N   
1446 C CA  . LEU A 78  ? 0.3287 0.2449 0.1233 -0.1304 -0.0174 -0.0141 94  LEU A CA  
1447 C C   . LEU A 78  ? 0.2933 0.2233 0.1036 -0.1124 -0.0283 0.0025  94  LEU A C   
1448 O O   . LEU A 78  ? 0.2557 0.2437 0.1275 -0.1010 -0.0417 0.0260  94  LEU A O   
1449 C CB  . LEU A 78  ? 0.3061 0.2558 0.1430 -0.1435 -0.0329 0.0099  94  LEU A CB  
1450 C CG  . LEU A 78  ? 0.3143 0.2341 0.1732 -0.1376 -0.0395 0.0245  94  LEU A CG  
1451 C CD1 . LEU A 78  ? 0.3134 0.2499 0.1791 -0.1442 -0.0196 0.0365  94  LEU A CD1 
1452 C CD2 . LEU A 78  ? 0.3110 0.2187 0.1777 -0.1343 -0.0391 0.0359  94  LEU A CD2 
1464 N N   . GLY A 79  ? 0.2342 0.1710 0.0813 -0.0662 -0.0020 -0.0040 95  GLY A N   
1465 C CA  . GLY A 79  ? 0.1958 0.1612 0.0746 -0.0221 -0.0098 0.0000  95  GLY A CA  
1466 C C   . GLY A 79  ? 0.1466 0.1361 0.0830 -0.0206 -0.0087 0.0017  95  GLY A C   
1467 O O   . GLY A 79  ? 0.1856 0.1513 0.0811 -0.0069 -0.0038 0.0193  95  GLY A O   
1471 N N   . ASN A 80  ? 0.1516 0.1396 0.0640 -0.0072 -0.0055 -0.0087 96  ASN A N   
1472 C CA  . ASN A 80  ? 0.1414 0.1259 0.0670 0.0083  -0.0052 0.0004  96  ASN A CA  
1473 C C   . ASN A 80  ? 0.1334 0.1182 0.0666 0.0094  0.0003  -0.0006 96  ASN A C   
1474 O O   . ASN A 80  ? 0.1487 0.1156 0.0888 0.0066  -0.0076 -0.0125 96  ASN A O   
1475 C CB  . ASN A 80  ? 0.1375 0.1535 0.0852 0.0114  -0.0068 -0.0009 96  ASN A CB  
1476 C CG  . ASN A 80  ? 0.1515 0.1697 0.0907 0.0099  -0.0047 -0.0113 96  ASN A CG  
1477 O OD1 . ASN A 80  ? 0.1666 0.1512 0.0814 -0.0016 0.0167  -0.0226 96  ASN A OD1 
1478 N ND2 . ASN A 80  ? 0.1470 0.1794 0.1034 -0.0138 0.0056  0.0129  96  ASN A ND2 
1485 N N   . ALA A 81  ? 0.1310 0.0946 0.0540 0.0147  0.0021  -0.0024 97  ALA A N   
1486 C CA  . ALA A 81  ? 0.1145 0.0983 0.0631 -0.0008 -0.0015 -0.0018 97  ALA A CA  
1487 C C   . ALA A 81  ? 0.1167 0.0994 0.0455 0.0056  -0.0040 -0.0085 97  ALA A C   
1488 O O   . ALA A 81  ? 0.1370 0.1043 0.0619 0.0130  0.0057  -0.0012 97  ALA A O   
1489 C CB  . ALA A 81  ? 0.1239 0.0939 0.0659 -0.0043 0.0053  -0.0022 97  ALA A CB  
1495 N N   . ALA A 82  ? 0.1211 0.1041 0.0548 0.0096  0.0004  0.0053  98  ALA A N   
1496 C CA  . ALA A 82  ? 0.1208 0.1116 0.0574 0.0074  0.0036  -0.0018 98  ALA A CA  
1497 C C   . ALA A 82  ? 0.1087 0.1039 0.0568 0.0060  0.0108  0.0007  98  ALA A C   
1498 O O   . ALA A 82  ? 0.1310 0.1063 0.0707 0.0220  0.0045  -0.0046 98  ALA A O   
1499 C CB  . ALA A 82  ? 0.1301 0.1271 0.0812 -0.0042 -0.0054 0.0035  98  ALA A CB  
1505 N N   . LEU A 83  ? 0.1071 0.1079 0.0482 0.0189  0.0021  -0.0005 99  LEU A N   
1506 C CA  . LEU A 83  ? 0.1038 0.1043 0.0484 0.0166  0.0039  0.0092  99  LEU A CA  
1507 C C   . LEU A 83  ? 0.1102 0.1016 0.0492 0.0111  0.0049  0.0003  99  LEU A C   
1508 O O   . LEU A 83  ? 0.1101 0.1051 0.0623 0.0083  0.0092  0.0076  99  LEU A O   
1509 C CB  . LEU A 83  ? 0.1088 0.1105 0.0666 0.0006  -0.0017 0.0197  99  LEU A CB  
1510 C CG  . LEU A 83  ? 0.1180 0.1066 0.0938 -0.0053 -0.0175 0.0164  99  LEU A CG  
1511 C CD1 . LEU A 83  ? 0.1572 0.1227 0.1575 -0.0069 -0.0499 -0.0037 99  LEU A CD1 
1512 C CD2 . LEU A 83  ? 0.1315 0.1156 0.0920 -0.0100 -0.0157 0.0051  99  LEU A CD2 
1524 N N   . GLN A 84  ? 0.1335 0.1203 0.0674 0.0198  0.0115  0.0105  100 GLN A N   
1525 C CA  . GLN A 84  ? 0.1581 0.1124 0.0744 0.0231  0.0102  0.0161  100 GLN A CA  
1526 C C   . GLN A 84  ? 0.1507 0.1328 0.0605 0.0269  0.0051  0.0124  100 GLN A C   
1527 O O   . GLN A 84  ? 0.1473 0.1847 0.0720 0.0476  0.0061  -0.0017 100 GLN A O   
1528 C CB  . GLN A 84  ? 0.1877 0.1161 0.1062 -0.0038 -0.0065 0.0162  100 GLN A CB  
1529 C CG  . GLN A 84  ? 0.2722 0.1312 0.1606 -0.0190 0.0273  0.0289  100 GLN A CG  
1530 C CD  . GLN A 84  ? 0.4092 0.1837 0.2027 -0.0478 0.0106  0.0278  100 GLN A CD  
1531 O OE1 . GLN A 84  ? 0.4638 0.1589 0.2005 -0.0156 0.0189  0.0068  100 GLN A OE1 
1532 N NE2 . GLN A 84  ? 0.4354 0.2208 0.2337 -0.0727 -0.0323 0.0244  100 GLN A NE2 
1541 N N   . ILE A 85  ? 0.1471 0.1362 0.0670 0.0208  0.0115  0.0162  101 ILE A N   
1542 C CA  . ILE A 85  ? 0.1567 0.1313 0.0699 0.0183  0.0105  0.0112  101 ILE A CA  
1543 C C   . ILE A 85  ? 0.1629 0.1420 0.0637 0.0153  0.0161  0.0152  101 ILE A C   
1544 O O   . ILE A 85  ? 0.1774 0.1668 0.0851 0.0168  0.0285  0.0333  101 ILE A O   
1545 C CB  . ILE A 85  ? 0.1957 0.1323 0.0874 0.0129  0.0082  0.0054  101 ILE A CB  
1546 C CG1 . ILE A 85  ? 0.1875 0.1291 0.1072 0.0223  0.0212  0.0099  101 ILE A CG1 
1547 C CG2 . ILE A 85  ? 0.3012 0.1384 0.0933 0.0080  -0.0302 0.0013  101 ILE A CG2 
1548 C CD1 . ILE A 85  ? 0.1646 0.1222 0.1151 0.0123  0.0249  0.0116  101 ILE A CD1 
1560 N N   . THR A 86  ? 0.1785 0.1354 0.0766 0.0115  0.0209  0.0165  102 THR A N   
1561 C CA  . THR A 86  ? 0.2019 0.1361 0.0890 0.0046  0.0138  0.0244  102 THR A CA  
1562 C C   . THR A 86  ? 0.1972 0.1453 0.0855 0.0123  0.0182  0.0295  102 THR A C   
1563 O O   . THR A 86  ? 0.1964 0.1858 0.0828 -0.0223 0.0132  0.0163  102 THR A O   
1564 C CB  . THR A 86  ? 0.2843 0.1250 0.1096 0.0195  0.0316  0.0257  102 THR A CB  
1565 O OG1 . THR A 86  ? 0.2172 0.1318 0.1159 0.0274  0.0398  0.0353  102 THR A OG1 
1566 C CG2 . THR A 86  ? 0.3863 0.1413 0.1054 0.0313  0.0219  -0.0001 102 THR A CG2 
1574 N N   . ASP A 87  ? 0.1908 0.1660 0.0943 0.0173  0.0278  0.0193  103 ASP A N   
1575 C CA  . ASP A 87  ? 0.2145 0.1914 0.0916 0.0285  0.0176  0.0271  103 ASP A CA  
1576 C C   . ASP A 87  ? 0.1773 0.1909 0.0818 0.0385  0.0147  0.0080  103 ASP A C   
1577 O O   . ASP A 87  ? 0.1884 0.2138 0.0953 0.0362  -0.0062 0.0006  103 ASP A O   
1578 C CB  . ASP A 87  ? 0.2102 0.2351 0.0972 0.0583  0.0116  0.0335  103 ASP A CB  
1579 C CG  . ASP A 87  ? 0.2708 0.2828 0.1106 0.0922  0.0032  0.0408  103 ASP A CG  
1580 O OD1 . ASP A 87  ? 0.2791 0.3142 0.1235 0.0961  0.0385  0.0485  103 ASP A OD1 
1581 O OD2 . ASP A 87  ? 0.2767 0.3255 0.1156 0.1062  -0.0158 0.0329  103 ASP A OD2 
1586 N N   . VAL A 88  ? 0.2058 0.1712 0.0783 0.0234  0.0084  -0.0012 104 VAL A N   
1587 C CA  . VAL A 88  ? 0.1763 0.1844 0.0810 0.0205  -0.0011 -0.0228 104 VAL A CA  
1588 C C   . VAL A 88  ? 0.1720 0.2047 0.0658 0.0079  0.0029  -0.0100 104 VAL A C   
1589 O O   . VAL A 88  ? 0.2073 0.2342 0.0741 -0.0327 0.0261  -0.0218 104 VAL A O   
1590 C CB  . VAL A 88  ? 0.2285 0.1919 0.1226 0.0502  -0.0451 -0.0544 104 VAL A CB  
1591 C CG1 . VAL A 88  ? 0.1902 0.2007 0.1564 0.0748  -0.0733 -0.0831 104 VAL A CG1 
1592 C CG2 . VAL A 88  ? 0.2633 0.1986 0.1349 0.0646  -0.0645 -0.0422 104 VAL A CG2 
1602 N N   . LYS A 89  ? 0.1554 0.1669 0.0477 0.0214  -0.0127 -0.0061 105 LYS A N   
1603 C CA  . LYS A 89  ? 0.1577 0.1691 0.0476 0.0224  -0.0100 -0.0004 105 LYS A CA  
1604 C C   . LYS A 89  ? 0.1480 0.1647 0.0444 -0.0020 -0.0066 0.0063  105 LYS A C   
1605 O O   . LYS A 89  ? 0.1563 0.1801 0.0501 -0.0152 -0.0069 0.0067  105 LYS A O   
1606 C CB  . LYS A 89  ? 0.1554 0.1921 0.0693 0.0155  -0.0178 -0.0109 105 LYS A CB  
1607 C CG  . LYS A 89  ? 0.1650 0.2084 0.0891 0.0338  -0.0155 -0.0241 105 LYS A CG  
1608 C CD  . LYS A 89  ? 0.2170 0.1844 0.1184 0.0592  0.0001  0.0082  105 LYS A CD  
1609 C CE  . LYS A 89  ? 0.2443 0.2132 0.1310 0.0618  -0.0057 0.0193  105 LYS A CE  
1610 N NZ  . LYS A 89  ? 0.2652 0.2324 0.1330 0.0565  0.0243  0.0389  105 LYS A NZ  
1624 N N   . LEU A 90  ? 0.1729 0.1583 0.0542 0.0044  -0.0144 0.0120  106 LEU A N   
1625 C CA  . LEU A 90  ? 0.1616 0.1502 0.0682 -0.0075 -0.0188 0.0087  106 LEU A CA  
1626 C C   . LEU A 90  ? 0.1746 0.1718 0.0658 -0.0200 -0.0192 0.0082  106 LEU A C   
1627 O O   . LEU A 90  ? 0.2053 0.1598 0.0717 -0.0337 -0.0301 0.0303  106 LEU A O   
1628 C CB  . LEU A 90  ? 0.1674 0.1347 0.0602 -0.0118 -0.0143 0.0020  106 LEU A CB  
1629 C CG  . LEU A 90  ? 0.1939 0.1302 0.0654 -0.0015 0.0002  -0.0081 106 LEU A CG  
1630 C CD1 . LEU A 90  ? 0.2142 0.1447 0.0738 0.0097  0.0035  -0.0115 106 LEU A CD1 
1631 C CD2 . LEU A 90  ? 0.1886 0.1524 0.0817 -0.0193 -0.0029 0.0041  106 LEU A CD2 
1643 N N   . GLN A 91  ? 0.1631 0.1927 0.0763 -0.0273 -0.0245 0.0301  107 GLN A N   
1644 C CA  . GLN A 91  ? 0.1694 0.2089 0.0783 -0.0635 -0.0258 0.0386  107 GLN A CA  
1645 C C   . GLN A 91  ? 0.1552 0.2242 0.0812 -0.0511 -0.0248 0.0447  107 GLN A C   
1646 O O   . GLN A 91  ? 0.1847 0.2735 0.0984 -0.0662 -0.0267 0.0559  107 GLN A O   
1647 C CB  . GLN A 91  ? 0.1815 0.2451 0.0896 -0.0608 -0.0339 0.0287  107 GLN A CB  
1648 C CG  . GLN A 91  ? 0.1398 0.2595 0.1051 -0.0349 -0.0117 0.0450  107 GLN A CG  
1649 C CD  . GLN A 91  ? 0.1530 0.2587 0.1007 -0.0218 -0.0174 0.0315  107 GLN A CD  
1650 O OE1 . GLN A 91  ? 0.1735 0.2471 0.0894 -0.0160 -0.0178 0.0260  107 GLN A OE1 
1651 N NE2 . GLN A 91  ? 0.1626 0.2752 0.1049 -0.0056 -0.0234 0.0149  107 GLN A NE2 
1660 N N   . ASP A 92  ? 0.1489 0.2172 0.0796 -0.0110 -0.0048 0.0409  108 ASP A N   
1661 C CA  . ASP A 92  ? 0.1560 0.2006 0.0692 -0.0068 0.0007  0.0286  108 ASP A CA  
1662 C C   . ASP A 92  ? 0.1432 0.1707 0.0587 -0.0114 -0.0051 0.0172  108 ASP A C   
1663 O O   . ASP A 92  ? 0.1586 0.1777 0.0499 0.0127  -0.0012 0.0148  108 ASP A O   
1664 C CB  . ASP A 92  ? 0.1654 0.2129 0.0780 0.0167  0.0084  0.0383  108 ASP A CB  
1665 C CG  . ASP A 92  ? 0.1636 0.2271 0.0852 0.0384  0.0198  0.0548  108 ASP A CG  
1666 O OD1 . ASP A 92  ? 0.1461 0.2590 0.1167 0.0522  0.0275  0.0819  108 ASP A OD1 
1667 O OD2 . ASP A 92  ? 0.2062 0.2155 0.0921 0.0637  0.0401  0.0231  108 ASP A OD2 
1672 N N   . ALA A 93  ? 0.1495 0.1634 0.0480 -0.0152 -0.0133 -0.0008 109 ALA A N   
1673 C CA  . ALA A 93  ? 0.1427 0.1583 0.0605 -0.0136 -0.0091 0.0036  109 ALA A CA  
1674 C C   . ALA A 93  ? 0.1473 0.1516 0.0676 -0.0256 -0.0149 -0.0131 109 ALA A C   
1675 O O   . ALA A 93  ? 0.1474 0.1820 0.0850 -0.0362 -0.0195 0.0074  109 ALA A O   
1676 C CB  . ALA A 93  ? 0.1467 0.1680 0.0620 -0.0121 -0.0016 -0.0053 109 ALA A CB  
1682 N N   . GLY A 94  ? 0.1482 0.1533 0.0647 -0.0222 -0.0102 -0.0018 110 GLY A N   
1683 C CA  . GLY A 94  ? 0.1608 0.1375 0.0716 -0.0341 -0.0027 0.0006  110 GLY A CA  
1684 C C   . GLY A 94  ? 0.1283 0.1289 0.0733 -0.0135 0.0025  -0.0104 110 GLY A C   
1685 O O   . GLY A 94  ? 0.1274 0.1459 0.0714 -0.0173 -0.0022 -0.0004 110 GLY A O   
1689 N N   . VAL A 95  ? 0.1257 0.1391 0.0764 -0.0155 0.0093  -0.0133 111 VAL A N   
1690 C CA  . VAL A 95  ? 0.1355 0.1397 0.0875 -0.0034 0.0179  -0.0014 111 VAL A CA  
1691 C C   . VAL A 95  ? 0.1226 0.1310 0.0782 -0.0250 0.0114  0.0008  111 VAL A C   
1692 O O   . VAL A 95  ? 0.1290 0.1568 0.1207 -0.0229 0.0148  -0.0334 111 VAL A O   
1693 C CB  . VAL A 95  ? 0.1865 0.1440 0.1170 0.0103  0.0257  0.0112  111 VAL A CB  
1694 C CG1 . VAL A 95  ? 0.2524 0.1481 0.1116 0.0203  0.0151  0.0302  111 VAL A CG1 
1695 C CG2 . VAL A 95  ? 0.1840 0.1437 0.1388 0.0313  0.0329  0.0083  111 VAL A CG2 
1705 N N   . TYR A 96  ? 0.1145 0.1427 0.0687 -0.0028 0.0080  0.0011  112 TYR A N   
1706 C CA  . TYR A 96  ? 0.1074 0.1462 0.0692 -0.0019 0.0123  0.0038  112 TYR A CA  
1707 C C   . TYR A 96  ? 0.1180 0.1448 0.0712 0.0012  0.0116  0.0131  112 TYR A C   
1708 O O   . TYR A 96  ? 0.1246 0.2155 0.0936 0.0246  0.0255  0.0456  112 TYR A O   
1709 C CB  . TYR A 96  ? 0.1028 0.1425 0.0598 -0.0048 0.0069  0.0007  112 TYR A CB  
1710 C CG  . TYR A 96  ? 0.1071 0.1294 0.0596 -0.0063 0.0041  -0.0032 112 TYR A CG  
1711 C CD1 . TYR A 96  ? 0.1122 0.1369 0.0600 0.0082  0.0149  0.0021  112 TYR A CD1 
1712 C CD2 . TYR A 96  ? 0.1215 0.1172 0.0601 -0.0087 0.0237  -0.0054 112 TYR A CD2 
1713 C CE1 . TYR A 96  ? 0.1173 0.1347 0.0513 -0.0011 0.0199  -0.0057 112 TYR A CE1 
1714 C CE2 . TYR A 96  ? 0.1250 0.1139 0.0615 0.0031  0.0210  0.0008  112 TYR A CE2 
1715 C CZ  . TYR A 96  ? 0.1224 0.1244 0.0583 -0.0021 0.0167  -0.0014 112 TYR A CZ  
1716 O OH  . TYR A 96  ? 0.1596 0.1574 0.0828 0.0143  0.0106  0.0319  112 TYR A OH  
1726 N N   A ARG A 97  ? 0.1210 0.0972 0.0530 -0.0079 0.0274  0.0018  113 ARG A N   
1727 N N   B ARG A 97  ? 0.1233 0.1392 0.0947 0.0044  0.0067  0.0020  113 ARG A N   
1728 C CA  A ARG A 97  ? 0.1187 0.0957 0.0507 0.0029  0.0168  0.0125  113 ARG A CA  
1729 C CA  B ARG A 97  ? 0.1448 0.1468 0.1279 -0.0065 0.0298  -0.0151 113 ARG A CA  
1730 C C   A ARG A 97  ? 0.1062 0.0946 0.0410 0.0081  0.0187  0.0222  113 ARG A C   
1731 C C   B ARG A 97  ? 0.1266 0.1550 0.1494 0.0104  0.0364  -0.0076 113 ARG A C   
1732 O O   A ARG A 97  ? 0.1313 0.1184 0.0436 0.0104  -0.0020 0.0000  113 ARG A O   
1733 O O   B ARG A 97  ? 0.1289 0.1464 0.1381 0.0261  0.0295  -0.0131 113 ARG A O   
1734 C CB  A ARG A 97  ? 0.1799 0.0928 0.0977 -0.0092 0.0371  0.0164  113 ARG A CB  
1735 C CB  B ARG A 97  ? 0.1917 0.1485 0.1472 -0.0113 0.0448  -0.0194 113 ARG A CB  
1736 C CG  A ARG A 97  ? 0.2601 0.1252 0.1295 -0.0019 0.0515  0.0006  113 ARG A CG  
1737 C CG  B ARG A 97  ? 0.2672 0.1617 0.1645 -0.0172 0.0685  -0.0342 113 ARG A CG  
1738 C CD  A ARG A 97  ? 0.3499 0.1935 0.1705 -0.0549 0.0556  -0.0198 113 ARG A CD  
1739 C CD  B ARG A 97  ? 0.3441 0.2024 0.1839 -0.0595 0.0937  -0.0544 113 ARG A CD  
1740 N NE  A ARG A 97  ? 0.4133 0.2591 0.1883 -0.0875 0.0597  -0.0406 113 ARG A NE  
1741 N NE  B ARG A 97  ? 0.4109 0.2602 0.2044 -0.0826 0.0804  -0.0704 113 ARG A NE  
1742 C CZ  A ARG A 97  ? 0.4181 0.3192 0.1984 -0.0535 0.0881  -0.0487 113 ARG A CZ  
1743 C CZ  B ARG A 97  ? 0.4252 0.3059 0.2106 -0.0698 0.1000  -0.0879 113 ARG A CZ  
1744 N NH1 A ARG A 97  ? 0.4323 0.3299 0.1938 -0.0345 0.0864  -0.0590 113 ARG A NH1 
1745 N NH1 B ARG A 97  ? 0.4357 0.3071 0.2139 -0.0292 0.1119  -0.1017 113 ARG A NH1 
1746 N NH2 A ARG A 97  ? 0.3080 0.2878 0.1975 -0.0418 0.1204  -0.0412 113 ARG A NH2 
1747 N NH2 B ARG A 97  ? 0.3381 0.2931 0.2137 -0.0632 0.1130  -0.0907 113 ARG A NH2 
1774 N N   . CYS A 98  ? 0.0934 0.0799 0.0416 0.0078  0.0095  0.0110  114 CYS A N   
1775 C CA  . CYS A 98  ? 0.0946 0.0769 0.0397 0.0120  0.0191  0.0083  114 CYS A CA  
1776 C C   . CYS A 98  ? 0.1142 0.0711 0.0389 0.0047  0.0225  0.0057  114 CYS A C   
1777 O O   . CYS A 98  ? 0.1312 0.1054 0.0652 0.0164  0.0421  0.0247  114 CYS A O   
1778 C CB  . CYS A 98  ? 0.0811 0.0798 0.0477 0.0162  -0.0019 0.0151  114 CYS A CB  
1779 S SG  . CYS A 98  ? 0.1050 0.0764 0.0564 0.0105  0.0008  0.0106  114 CYS A SG  
1784 N N   A MET A 99  ? 0.1009 0.0744 0.0339 0.0064  0.0072  0.0028  115 MET A N   
1785 N N   B MET A 99  ? 0.1476 0.1493 0.1170 0.0114  0.0116  0.0152  115 MET A N   
1786 C CA  A MET A 99  ? 0.1255 0.0740 0.0420 -0.0039 0.0063  0.0077  115 MET A CA  
1787 C CA  B MET A 99  ? 0.1221 0.1300 0.1037 0.0018  0.0229  -0.0018 115 MET A CA  
1788 C C   A MET A 99  ? 0.1135 0.0874 0.0507 0.0078  0.0024  0.0109  115 MET A C   
1789 C C   B MET A 99  ? 0.1085 0.0988 0.0781 0.0054  0.0137  0.0045  115 MET A C   
1790 O O   A MET A 99  ? 0.1267 0.1046 0.0493 0.0083  -0.0194 -0.0029 115 MET A O   
1791 O O   B MET A 99  ? 0.1266 0.0873 0.0790 0.0134  0.0311  0.0131  115 MET A O   
1792 C CB  A MET A 99  ? 0.1381 0.0740 0.0459 0.0020  0.0038  0.0135  115 MET A CB  
1793 C CB  B MET A 99  ? 0.1489 0.1218 0.1146 -0.0006 0.0256  -0.0187 115 MET A CB  
1794 C CG  A MET A 99  ? 0.1394 0.0796 0.0699 0.0113  0.0027  -0.0055 115 MET A CG  
1795 C CG  B MET A 99  ? 0.1301 0.1287 0.1306 0.0064  0.0057  -0.0247 115 MET A CG  
1796 S SD  A MET A 99  ? 0.1197 0.0807 0.0693 0.0044  -0.0063 -0.0017 115 MET A SD  
1797 S SD  B MET A 99  ? 0.1368 0.1127 0.1472 -0.0063 0.0315  -0.0103 115 MET A SD  
1798 C CE  A MET A 99  ? 0.1224 0.1074 0.0706 0.0177  0.0102  0.0104  115 MET A CE  
1799 C CE  B MET A 99  ? 0.1562 0.1720 0.1575 -0.0081 0.0282  -0.0123 115 MET A CE  
1818 N N   . ILE A 100 ? 0.1109 0.0800 0.0550 0.0118  0.0079  0.0086  116 ILE A N   
1819 C CA  . ILE A 100 ? 0.1094 0.0828 0.0521 0.0121  -0.0008 0.0065  116 ILE A CA  
1820 C C   . ILE A 100 ? 0.1268 0.0811 0.0508 0.0018  -0.0017 0.0074  116 ILE A C   
1821 O O   . ILE A 100 ? 0.1432 0.0993 0.0580 0.0125  0.0108  0.0128  116 ILE A O   
1822 C CB  . ILE A 100 ? 0.1272 0.1010 0.0735 0.0031  0.0034  0.0034  116 ILE A CB  
1823 C CG1 . ILE A 100 ? 0.1241 0.0970 0.0683 -0.0112 0.0154  0.0043  116 ILE A CG1 
1824 C CG2 . ILE A 100 ? 0.1375 0.1233 0.0832 -0.0160 -0.0046 -0.0110 116 ILE A CG2 
1825 C CD1 . ILE A 100 ? 0.1113 0.1075 0.0695 -0.0126 -0.0037 0.0134  116 ILE A CD1 
1837 N N   . SER A 101 ? 0.1165 0.0797 0.0378 0.0086  0.0098  0.0040  117 SER A N   
1838 C CA  . SER A 101 ? 0.1350 0.0955 0.0577 0.0046  0.0049  0.0002  117 SER A CA  
1839 C C   . SER A 101 ? 0.1342 0.1023 0.0498 0.0025  0.0158  0.0060  117 SER A C   
1840 O O   . SER A 101 ? 0.1437 0.0977 0.0565 0.0133  -0.0030 0.0000  117 SER A O   
1841 C CB  . SER A 101 ? 0.1461 0.1093 0.0633 -0.0096 0.0089  -0.0017 117 SER A CB  
1842 O OG  . SER A 101 ? 0.1510 0.1116 0.0706 -0.0054 0.0285  0.0045  117 SER A OG  
1848 N N   . TYR A 102 ? 0.1437 0.1034 0.0534 0.0151  -0.0026 0.0056  118 TYR A N   
1849 C CA  . TYR A 102 ? 0.1460 0.1175 0.0595 0.0020  -0.0060 0.0000  118 TYR A CA  
1850 C C   . TYR A 102 ? 0.1552 0.1268 0.0590 0.0086  -0.0032 0.0017  118 TYR A C   
1851 O O   . TYR A 102 ? 0.1795 0.1458 0.0754 0.0147  -0.0231 0.0078  118 TYR A O   
1852 C CB  . TYR A 102 ? 0.1350 0.1313 0.0623 0.0080  0.0001  0.0008  118 TYR A CB  
1853 C CG  . TYR A 102 ? 0.1341 0.1263 0.0660 -0.0068 -0.0135 0.0083  118 TYR A CG  
1854 C CD1 . TYR A 102 ? 0.1447 0.1149 0.0701 -0.0043 -0.0174 0.0122  118 TYR A CD1 
1855 C CD2 . TYR A 102 ? 0.1453 0.1257 0.0601 -0.0043 -0.0094 -0.0071 118 TYR A CD2 
1856 C CE1 . TYR A 102 ? 0.1821 0.1076 0.0763 -0.0093 -0.0150 0.0009  118 TYR A CE1 
1857 C CE2 . TYR A 102 ? 0.1475 0.1488 0.0845 -0.0053 -0.0187 -0.0002 118 TYR A CE2 
1858 C CZ  . TYR A 102 ? 0.1968 0.1300 0.0836 -0.0292 -0.0294 -0.0113 118 TYR A CZ  
1859 O OH  . TYR A 102 ? 0.2215 0.1387 0.1088 -0.0220 -0.0271 -0.0264 118 TYR A OH  
1869 N N   . GLY A 103 ? 0.1719 0.1370 0.0572 0.0124  0.0100  0.0067  119 GLY A N   
1870 C CA  . GLY A 103 ? 0.2063 0.1531 0.0564 0.0199  0.0128  0.0142  119 GLY A CA  
1871 C C   . GLY A 103 ? 0.2138 0.1376 0.0650 0.0103  0.0183  0.0184  119 GLY A C   
1872 O O   . GLY A 103 ? 0.2144 0.1421 0.0858 0.0063  0.0193  0.0186  119 GLY A O   
1876 N N   . GLY A 104 ? 0.2055 0.1527 0.0708 0.0242  0.0112  0.0218  120 GLY A N   
1877 C CA  . GLY A 104 ? 0.2022 0.1336 0.0719 0.0390  0.0205  0.0227  120 GLY A CA  
1878 C C   . GLY A 104 ? 0.1863 0.1242 0.0768 0.0156  0.0235  0.0273  120 GLY A C   
1879 O O   . GLY A 104 ? 0.1929 0.1196 0.0762 0.0294  0.0077  0.0172  120 GLY A O   
1883 N N   . ALA A 105 ? 0.2132 0.1039 0.0774 0.0290  0.0418  0.0251  121 ALA A N   
1884 C CA  . ALA A 105 ? 0.2048 0.1090 0.0804 0.0139  0.0284  0.0195  121 ALA A CA  
1885 C C   . ALA A 105 ? 0.2001 0.0997 0.0844 0.0264  0.0196  0.0174  121 ALA A C   
1886 O O   . ALA A 105 ? 0.2311 0.1080 0.0966 0.0327  0.0366  0.0244  121 ALA A O   
1887 C CB  . ALA A 105 ? 0.2035 0.1264 0.0920 0.0094  0.0318  0.0095  121 ALA A CB  
1893 N N   . ASP A 106 ? 0.1916 0.0909 0.0710 0.0335  0.0280  0.0212  122 ASP A N   
1894 C CA  . ASP A 106 ? 0.1954 0.0973 0.0808 0.0272  0.0189  0.0163  122 ASP A CA  
1895 C C   . ASP A 106 ? 0.1847 0.0989 0.0753 0.0219  0.0259  0.0215  122 ASP A C   
1896 O O   . ASP A 106 ? 0.1711 0.1016 0.0759 0.0307  0.0234  0.0117  122 ASP A O   
1897 C CB  . ASP A 106 ? 0.2189 0.1405 0.0779 0.0479  0.0155  0.0266  122 ASP A CB  
1898 C CG  . ASP A 106 ? 0.2255 0.1615 0.0986 0.0793  0.0384  0.0315  122 ASP A CG  
1899 O OD1 . ASP A 106 ? 0.2864 0.1476 0.1173 0.0964  0.0333  0.0286  122 ASP A OD1 
1900 O OD2 . ASP A 106 ? 0.2377 0.1792 0.1245 0.0929  0.0372  0.0263  122 ASP A OD2 
1905 N N   . TYR A 107 ? 0.1852 0.1065 0.0784 0.0445  0.0323  0.0198  123 TYR A N   
1906 C CA  . TYR A 107 ? 0.1711 0.1090 0.0777 0.0295  0.0245  0.0231  123 TYR A CA  
1907 C C   . TYR A 107 ? 0.1778 0.1268 0.0771 0.0346  0.0229  0.0119  123 TYR A C   
1908 O O   . TYR A 107 ? 0.1950 0.1435 0.0922 0.0612  0.0432  0.0341  123 TYR A O   
1909 C CB  . TYR A 107 ? 0.1932 0.1205 0.1025 0.0271  0.0161  0.0110  123 TYR A CB  
1910 C CG  . TYR A 107 ? 0.2160 0.1503 0.1320 0.0183  0.0188  -0.0131 123 TYR A CG  
1911 C CD1 . TYR A 107 ? 0.1915 0.1323 0.1811 0.0153  0.0463  0.0030  123 TYR A CD1 
1912 C CD2 . TYR A 107 ? 0.3346 0.2043 0.1448 -0.0041 0.0297  -0.0522 123 TYR A CD2 
1913 C CE1 . TYR A 107 ? 0.2181 0.1399 0.2247 0.0048  0.0624  -0.0233 123 TYR A CE1 
1914 C CE2 . TYR A 107 ? 0.3688 0.2071 0.1822 -0.0045 0.0375  -0.0596 123 TYR A CE2 
1915 C CZ  . TYR A 107 ? 0.3391 0.1594 0.2289 -0.0151 0.0323  -0.0571 123 TYR A CZ  
1916 O OH  . TYR A 107 ? 0.3825 0.1577 0.2582 -0.0178 0.0241  -0.0922 123 TYR A OH  
1926 N N   . LYS A 108 ? 0.1729 0.1218 0.0717 0.0399  0.0265  0.0177  124 LYS A N   
1927 C CA  . LYS A 108 ? 0.1770 0.1329 0.0757 0.0360  0.0292  0.0101  124 LYS A CA  
1928 C C   . LYS A 108 ? 0.1565 0.1168 0.0770 0.0218  0.0222  0.0143  124 LYS A C   
1929 O O   . LYS A 108 ? 0.1638 0.1340 0.0754 0.0314  0.0095  0.0075  124 LYS A O   
1930 C CB  . LYS A 108 ? 0.1370 0.1733 0.0773 0.0261  0.0110  0.0052  124 LYS A CB  
1931 C CG  . LYS A 108 ? 0.1815 0.2052 0.0920 0.0320  0.0087  0.0005  124 LYS A CG  
1932 C CD  . LYS A 108 ? 0.2201 0.2182 0.1132 0.0943  -0.0131 0.0100  124 LYS A CD  
1933 C CE  . LYS A 108 ? 0.2570 0.2063 0.1270 0.1158  -0.0035 0.0069  124 LYS A CE  
1934 N NZ  . LYS A 108 ? 0.3379 0.1865 0.1286 0.1122  -0.0200 0.0085  124 LYS A NZ  
1948 N N   . ARG A 109 ? 0.1503 0.1404 0.0698 0.0307  0.0258  0.0111  125 ARG A N   
1949 C CA  . ARG A 109 ? 0.1589 0.1493 0.0774 0.0156  0.0181  0.0053  125 ARG A CA  
1950 C C   . ARG A 109 ? 0.1429 0.1495 0.0753 0.0305  0.0143  0.0127  125 ARG A C   
1951 O O   . ARG A 109 ? 0.1403 0.1862 0.1110 0.0288  0.0001  0.0394  125 ARG A O   
1952 C CB  . ARG A 109 ? 0.1993 0.1480 0.1161 -0.0034 0.0232  -0.0039 125 ARG A CB  
1953 C CG  . ARG A 109 ? 0.2468 0.1907 0.1829 -0.0141 0.0211  0.0115  125 ARG A CG  
1954 C CD  . ARG A 109 ? 0.3129 0.2252 0.2213 -0.0156 -0.0150 0.0027  125 ARG A CD  
1955 N NE  . ARG A 109 ? 0.3351 0.2258 0.2148 -0.0141 -0.0493 -0.0058 125 ARG A NE  
1965 N N   . ILE A 110 ? 0.1216 0.1405 0.0690 0.0087  0.0082  0.0045  126 ILE A N   
1966 C CA  . ILE A 110 ? 0.1168 0.1476 0.0613 0.0042  0.0101  0.0082  126 ILE A CA  
1967 C C   . ILE A 110 ? 0.1207 0.1330 0.0749 -0.0062 -0.0052 0.0039  126 ILE A C   
1968 O O   . ILE A 110 ? 0.1178 0.1755 0.0784 0.0042  -0.0015 -0.0065 126 ILE A O   
1969 C CB  . ILE A 110 ? 0.1249 0.1389 0.0720 0.0003  0.0072  -0.0074 126 ILE A CB  
1970 C CG1 . ILE A 110 ? 0.1389 0.1458 0.0720 -0.0002 0.0005  -0.0087 126 ILE A CG1 
1971 C CG2 . ILE A 110 ? 0.1445 0.1511 0.0863 -0.0079 0.0177  -0.0047 126 ILE A CG2 
1972 C CD1 . ILE A 110 ? 0.1460 0.1551 0.0664 0.0097  0.0041  -0.0138 126 ILE A CD1 
1984 N N   . THR A 111 ? 0.1111 0.1402 0.0603 0.0084  0.0046  0.0035  127 THR A N   
1985 C CA  . THR A 111 ? 0.1108 0.1398 0.0633 -0.0065 0.0084  -0.0066 127 THR A CA  
1986 C C   . THR A 111 ? 0.1076 0.1361 0.0559 0.0049  0.0010  -0.0043 127 THR A C   
1987 O O   . THR A 111 ? 0.1127 0.1462 0.0749 -0.0030 -0.0085 0.0057  127 THR A O   
1988 C CB  . THR A 111 ? 0.1432 0.1359 0.0915 0.0152  0.0164  -0.0137 127 THR A CB  
1989 O OG1 . THR A 111 ? 0.2012 0.1347 0.1221 0.0105  0.0094  -0.0095 127 THR A OG1 
1990 C CG2 . THR A 111 ? 0.1743 0.1472 0.0831 0.0336  0.0149  -0.0328 127 THR A CG2 
1998 N N   . VAL A 112 ? 0.1180 0.1366 0.0600 -0.0130 -0.0053 -0.0022 128 VAL A N   
1999 C CA  . VAL A 112 ? 0.1136 0.1376 0.0637 -0.0075 -0.0046 0.0068  128 VAL A CA  
2000 C C   . VAL A 112 ? 0.1221 0.1287 0.0573 0.0026  -0.0047 0.0001  128 VAL A C   
2001 O O   . VAL A 112 ? 0.1434 0.1448 0.0623 -0.0234 -0.0030 -0.0103 128 VAL A O   
2002 C CB  . VAL A 112 ? 0.1232 0.1410 0.0782 -0.0061 -0.0014 -0.0020 128 VAL A CB  
2003 C CG1 . VAL A 112 ? 0.1485 0.1431 0.0898 0.0072  -0.0045 0.0011  128 VAL A CG1 
2004 C CG2 . VAL A 112 ? 0.1246 0.1376 0.0760 0.0005  -0.0085 -0.0220 128 VAL A CG2 
2014 N N   . LYS A 113 ? 0.1323 0.1310 0.0576 -0.0031 -0.0019 -0.0012 129 LYS A N   
2015 C CA  . LYS A 113 ? 0.1419 0.1357 0.0607 -0.0004 0.0027  -0.0034 129 LYS A CA  
2016 C C   . LYS A 113 ? 0.1380 0.1355 0.0654 0.0017  -0.0022 -0.0054 129 LYS A C   
2017 O O   . LYS A 113 ? 0.1739 0.1430 0.0625 -0.0190 -0.0193 -0.0005 129 LYS A O   
2018 C CB  . LYS A 113 ? 0.1750 0.1612 0.1023 0.0261  0.0261  0.0068  129 LYS A CB  
2019 C CG  . LYS A 113 ? 0.3217 0.2252 0.1401 0.0568  -0.0001 -0.0032 129 LYS A CG  
2026 N N   . VAL A 114 ? 0.1494 0.1330 0.0606 -0.0070 -0.0134 -0.0036 130 VAL A N   
2027 C CA  . VAL A 114 ? 0.1698 0.1365 0.0519 -0.0221 -0.0064 0.0045  130 VAL A CA  
2028 C C   . VAL A 114 ? 0.1965 0.1501 0.0599 -0.0101 -0.0149 0.0003  130 VAL A C   
2029 O O   . VAL A 114 ? 0.2527 0.1730 0.0734 -0.0446 0.0073  -0.0225 130 VAL A O   
2030 C CB  . VAL A 114 ? 0.1664 0.1397 0.0644 -0.0046 -0.0278 0.0020  130 VAL A CB  
2031 C CG1 . VAL A 114 ? 0.1679 0.1408 0.0882 0.0034  -0.0272 0.0179  130 VAL A CG1 
2032 C CG2 . VAL A 114 ? 0.1355 0.1309 0.0751 0.0007  -0.0154 0.0030  130 VAL A CG2 
2042 N N   A ASN A 115 ? 0.1695 0.1316 0.0604 -0.0185 -0.0023 0.0024  131 ASN A N   
2043 N N   B ASN A 115 ? 0.2006 0.1712 0.0668 0.0203  -0.0021 -0.0003 131 ASN A N   
2044 C CA  A ASN A 115 ? 0.1681 0.1438 0.0753 0.0006  0.0103  0.0121  131 ASN A CA  
2045 C CA  B ASN A 115 ? 0.2063 0.1999 0.0765 0.0431  0.0067  -0.0018 131 ASN A CA  
2046 C C   A ASN A 115 ? 0.1561 0.1524 0.0640 -0.0150 0.0130  0.0067  131 ASN A C   
2047 C C   B ASN A 115 ? 0.1712 0.1731 0.0681 0.0164  0.0029  -0.0038 131 ASN A C   
2048 O O   A ASN A 115 ? 0.1897 0.1647 0.0809 -0.0050 -0.0082 0.0013  131 ASN A O   
2049 O O   B ASN A 115 ? 0.1781 0.1652 0.0702 0.0262  0.0010  -0.0038 131 ASN A O   
2050 C CB  A ASN A 115 ? 0.1509 0.1609 0.0946 -0.0073 0.0131  0.0075  131 ASN A CB  
2051 C CB  B ASN A 115 ? 0.2269 0.2545 0.0988 0.0778  0.0099  -0.0025 131 ASN A CB  
2052 C CG  A ASN A 115 ? 0.1508 0.1635 0.1269 -0.0129 0.0283  0.0109  131 ASN A CG  
2053 C CG  B ASN A 115 ? 0.2745 0.3059 0.1242 0.1140  -0.0081 -0.0162 131 ASN A CG  
2054 O OD1 A ASN A 115 ? 0.2085 0.1544 0.1701 -0.0131 0.0140  -0.0045 131 ASN A OD1 
2055 O OD1 B ASN A 115 ? 0.2941 0.3161 0.1440 0.1283  -0.0123 -0.0316 131 ASN A OD1 
2056 N ND2 A ASN A 115 ? 0.1590 0.1820 0.1347 -0.0009 0.0044  0.0174  131 ASN A ND2 
2057 N ND2 B ASN A 115 ? 0.2750 0.3345 0.1322 0.1229  -0.0313 -0.0064 131 ASN A ND2 
2070 N N   . ALA A 116 ? 0.1816 0.1549 0.0702 -0.0103 -0.0015 0.0059  132 ALA A N   
2071 C CA  . ALA A 116 ? 0.1777 0.1620 0.0608 -0.0243 -0.0104 0.0122  132 ALA A CA  
2072 C C   . ALA A 116 ? 0.1879 0.1759 0.0666 -0.0012 -0.0139 -0.0003 132 ALA A C   
2073 O O   . ALA A 116 ? 0.1990 0.1788 0.0763 -0.0183 -0.0123 0.0030  132 ALA A O   
2074 C CB  . ALA A 116 ? 0.1964 0.1641 0.0610 -0.0442 -0.0219 0.0059  132 ALA A CB  
2080 N N   . PRO A 117 ? 0.1985 0.1779 0.0810 0.0055  -0.0286 -0.0103 133 PRO A N   
2081 C CA  . PRO A 117 ? 0.2457 0.1680 0.0894 -0.0155 -0.0093 -0.0015 133 PRO A CA  
2082 C C   . PRO A 117 ? 0.2164 0.1659 0.1057 -0.0323 -0.0296 -0.0099 133 PRO A C   
2083 O O   . PRO A 117 ? 0.2517 0.1906 0.1320 -0.0352 -0.0252 -0.0194 133 PRO A O   
2084 C CB  . PRO A 117 ? 0.2820 0.1851 0.1088 0.0137  0.0021  0.0187  133 PRO A CB  
2085 C CG  . PRO A 117 ? 0.2868 0.1913 0.1259 0.0197  -0.0282 0.0033  133 PRO A CG  
2086 C CD  . PRO A 117 ? 0.2580 0.1903 0.1015 0.0089  -0.0322 -0.0021 133 PRO A CD  
2094 N N   . TYR A 118 ? 0.2038 0.1769 0.0920 -0.0284 -0.0079 -0.0099 134 TYR A N   
2095 C CA  . TYR A 118 ? 0.1863 0.1820 0.0941 -0.0320 -0.0028 -0.0151 134 TYR A CA  
2096 C C   . TYR A 118 ? 0.2055 0.1748 0.1218 -0.0326 -0.0057 -0.0185 134 TYR A C   
2097 O O   . TYR A 118 ? 0.2059 0.1962 0.1186 -0.0055 0.0028  -0.0221 134 TYR A O   
2098 C CB  . TYR A 118 ? 0.1796 0.1787 0.0946 -0.0472 0.0031  -0.0207 134 TYR A CB  
2099 C CG  . TYR A 118 ? 0.1970 0.1894 0.0899 -0.0537 -0.0088 -0.0090 134 TYR A CG  
2100 C CD1 . TYR A 118 ? 0.2141 0.1877 0.0977 -0.0647 -0.0199 -0.0042 134 TYR A CD1 
2101 C CD2 . TYR A 118 ? 0.2068 0.1999 0.0862 -0.0679 0.0027  -0.0060 134 TYR A CD2 
2102 C CE1 . TYR A 118 ? 0.2087 0.1914 0.1027 -0.0692 -0.0236 0.0030  134 TYR A CE1 
2103 C CE2 . TYR A 118 ? 0.2038 0.2202 0.0867 -0.0499 -0.0114 -0.0064 134 TYR A CE2 
2104 C CZ  . TYR A 118 ? 0.2207 0.2211 0.0923 -0.0184 -0.0222 -0.0114 134 TYR A CZ  
2105 O OH  . TYR A 118 ? 0.3005 0.2337 0.1128 -0.0007 -0.0466 -0.0054 134 TYR A OH  
2115 N N   . ALA A 119 ? 0.2011 0.1719 0.1424 -0.0095 0.0118  -0.0070 135 ALA A N   
2116 C CA  . ALA A 119 ? 0.2076 0.1795 0.1481 0.0067  0.0173  0.0014  135 ALA A CA  
2117 C C   . ALA A 119 ? 0.2048 0.2008 0.1420 -0.0023 0.0131  -0.0015 135 ALA A C   
2118 O O   . ALA A 119 ? 0.2011 0.1754 0.1505 0.0118  0.0128  0.0081  135 ALA A O   
2119 C CB  . ALA A 119 ? 0.2204 0.1985 0.1768 0.0083  0.0206  0.0177  135 ALA A CB  
2125 N N   . ALA A 120 ? 0.2194 0.2100 0.1471 -0.0027 -0.0311 -0.0208 136 ALA A N   
2126 C CA  . ALA A 120 ? 0.2315 0.2217 0.1561 -0.0126 -0.0532 -0.0174 136 ALA A CA  
2127 C C   . ALA A 120 ? 0.2121 0.1883 0.1621 -0.0235 -0.0537 -0.0055 136 ALA A C   
2128 O O   . ALA A 120 ? 0.1939 0.1975 0.1707 0.0036  -0.0449 0.0025  136 ALA A O   
2129 C CB  . ALA A 120 ? 0.2339 0.2393 0.1533 -0.0001 -0.0673 -0.0451 136 ALA A CB  
2135 N N   . ALA A 121 ? 0.2004 0.1693 0.1558 -0.0174 -0.0534 -0.0139 137 ALA A N   
2136 C CA  . ALA A 121 ? 0.2055 0.1637 0.1508 -0.0129 -0.0262 0.0158  137 ALA A CA  
2137 C C   . ALA A 121 ? 0.1828 0.1608 0.1619 -0.0058 -0.0261 0.0104  137 ALA A C   
2138 O O   . ALA A 121 ? 0.1797 0.1621 0.1783 -0.0191 0.0215  0.0085  137 ALA A O   
2139 C CB  . ALA A 121 ? 0.2201 0.1519 0.1453 -0.0059 -0.0327 0.0206  137 ALA A CB  
2145 N N   . LEU A 122 ? 0.1718 0.1719 0.1440 -0.0178 -0.0240 -0.0039 138 LEU A N   
2146 C CA  . LEU A 122 ? 0.2011 0.1908 0.1449 0.0002  -0.0155 -0.0231 138 LEU A CA  
2147 C C   . LEU A 122 ? 0.1429 0.1650 0.1414 -0.0114 -0.0133 -0.0053 138 LEU A C   
2148 O O   . LEU A 122 ? 0.1658 0.1477 0.1443 0.0090  -0.0257 -0.0162 138 LEU A O   
2149 C CB  . LEU A 122 ? 0.1745 0.1774 0.1436 0.0137  -0.0260 -0.0452 138 LEU A CB  
2150 C CG  . LEU A 122 ? 0.2048 0.2063 0.1481 0.0474  -0.0521 -0.0403 138 LEU A CG  
2151 C CD1 . LEU A 122 ? 0.1856 0.1938 0.1792 0.0375  -0.0581 -0.0736 138 LEU A CD1 
2152 C CD2 . LEU A 122 ? 0.2270 0.2155 0.1410 0.0663  -0.0611 -0.0177 138 LEU A CD2 
2164 N N   . GLU A 123 ? 0.1871 0.1747 0.1378 -0.0075 -0.0163 -0.0030 139 GLU A N   
2165 C CA  . GLU A 123 ? 0.2116 0.1909 0.1340 0.0055  -0.0220 0.0119  139 GLU A CA  
2166 C C   . GLU A 123 ? 0.1945 0.1831 0.1345 0.0244  -0.0203 -0.0032 139 GLU A C   
2167 O O   . GLU A 123 ? 0.2055 0.1415 0.1343 0.0157  -0.0201 -0.0042 139 GLU A O   
2168 C CB  . GLU A 123 ? 0.2638 0.2319 0.1354 0.0329  -0.0468 0.0034  139 GLU A CB  
2169 C CG  . GLU A 123 ? 0.3116 0.2605 0.1505 0.0480  -0.0606 -0.0113 139 GLU A CG  
2170 C CD  . GLU A 123 ? 0.3415 0.2784 0.1629 0.0571  -0.0885 -0.0169 139 GLU A CD  
2171 O OE1 . GLU A 123 ? 0.3482 0.2859 0.1723 0.0256  -0.0968 -0.0343 139 GLU A OE1 
2172 O OE2 . GLU A 123 ? 0.3741 0.2829 0.1657 0.0725  -0.1074 -0.0046 139 GLU A OE2 
2179 N N   . HIS A 124 ? 0.1693 0.2043 0.1469 0.0214  -0.0186 -0.0041 140 HIS A N   
2180 C CA  . HIS A 124 ? 0.1821 0.2546 0.1397 0.0551  -0.0198 -0.0191 140 HIS A CA  
2181 C C   . HIS A 124 ? 0.1770 0.2680 0.1268 0.0836  -0.0355 -0.0287 140 HIS A C   
2182 O O   . HIS A 124 ? 0.1964 0.2691 0.1151 0.0850  -0.0249 -0.0475 140 HIS A O   
2183 C CB  . HIS A 124 ? 0.1905 0.2908 0.1539 0.0518  -0.0170 -0.0227 140 HIS A CB  
2184 C CG  . HIS A 124 ? 0.1691 0.3082 0.1623 0.0645  -0.0189 -0.0456 140 HIS A CG  
2185 N ND1 . HIS A 124 ? 0.1923 0.3033 0.1592 0.0709  -0.0342 -0.0604 140 HIS A ND1 
2186 C CD2 . HIS A 124 ? 0.1682 0.3304 0.1749 0.0335  -0.0169 -0.0537 140 HIS A CD2 
2187 C CE1 . HIS A 124 ? 0.1804 0.3297 0.1602 0.0550  -0.0216 -0.0684 140 HIS A CE1 
2188 N NE2 . HIS A 124 ? 0.1799 0.3467 0.1861 0.0384  -0.0171 -0.0502 140 HIS A NE2 
2196 N N   . HIS A 125 ? 0.2465 0.2499 0.1331 0.0841  -0.0434 -0.0370 141 HIS A N   
2197 C CA  . HIS A 125 ? 0.2635 0.2500 0.1324 0.1006  -0.0442 -0.0335 141 HIS A CA  
2198 C C   . HIS A 125 ? 0.3273 0.2595 0.1381 0.1054  -0.0807 -0.0238 141 HIS A C   
2199 O O   . HIS A 125 ? 0.3651 0.2881 0.1342 0.1332  -0.0600 -0.0304 141 HIS A O   
2200 C CB  . HIS A 125 ? 0.2591 0.2406 0.1240 0.0913  -0.0178 -0.0242 141 HIS A CB  
2201 C CG  . HIS A 125 ? 0.2392 0.2355 0.1188 0.0920  -0.0130 -0.0232 141 HIS A CG  
2202 N ND1 . HIS A 125 ? 0.2545 0.2530 0.1342 0.0871  -0.0188 -0.0066 141 HIS A ND1 
2203 C CD2 . HIS A 125 ? 0.2424 0.2358 0.1245 0.0635  -0.0203 -0.0379 141 HIS A CD2 
2204 C CE1 . HIS A 125 ? 0.2156 0.2040 0.1198 0.0437  -0.0141 -0.0214 141 HIS A CE1 
2205 N NE2 . HIS A 125 ? 0.2184 0.2242 0.1279 0.0456  -0.0052 -0.0236 141 HIS A NE2 
2213 N N   . HIS A 126 ? 0.3589 0.2253 0.1768 0.0969  -0.0699 -0.0259 142 HIS A N   
2214 C CA  . HIS A 126 ? 0.3721 0.2079 0.2005 0.0816  -0.1040 -0.0298 142 HIS A CA  
2215 C C   . HIS A 126 ? 0.3108 0.2091 0.2002 0.0614  -0.1108 -0.0184 142 HIS A C   
2216 O O   . HIS A 126 ? 0.2161 0.2379 0.1963 0.0499  -0.0657 -0.0112 142 HIS A O   
2217 C CB  . HIS A 126 ? 0.4428 0.2520 0.2490 0.0055  -0.0680 -0.0544 142 HIS A CB  
2218 C CG  . HIS A 126 ? 0.4689 0.2626 0.2859 -0.0788 -0.0301 -0.0962 142 HIS A CG  
2219 N ND1 . HIS A 126 ? 0.4699 0.2778 0.3051 -0.1042 -0.0118 -0.0991 142 HIS A ND1 
2220 C CD2 . HIS A 126 ? 0.4666 0.2710 0.2982 -0.1052 -0.0131 -0.1132 142 HIS A CD2 
2221 C CE1 . HIS A 126 ? 0.4706 0.2854 0.3176 -0.1042 -0.0048 -0.1069 142 HIS A CE1 
2222 N NE2 . HIS A 126 ? 0.4972 0.2777 0.3172 -0.0918 0.0055  -0.1031 142 HIS A NE2 
2230 N N   . HIS A 127 ? 0.3241 0.1819 0.2128 0.0258  -0.1102 0.0021  143 HIS A N   
2231 C CA  . HIS A 127 ? 0.2865 0.1796 0.2252 0.0330  -0.1024 0.0057  143 HIS A CA  
2232 C C   . HIS A 127 ? 0.3804 0.1980 0.2732 0.0093  -0.1003 0.0192  143 HIS A C   
2233 O O   . HIS A 127 ? 0.4892 0.2148 0.2782 -0.0087 -0.0615 0.0167  143 HIS A O   
2234 C CB  . HIS A 127 ? 0.2856 0.1707 0.1994 0.0170  -0.0525 -0.0080 143 HIS A CB  
2235 C CG  . HIS A 127 ? 0.3018 0.1756 0.1878 -0.0055 0.0121  -0.0221 143 HIS A CG  
2236 N ND1 . HIS A 127 ? 0.3372 0.1834 0.1896 -0.0140 0.0466  -0.0157 143 HIS A ND1 
2237 C CD2 . HIS A 127 ? 0.2872 0.1648 0.1894 -0.0031 0.0369  -0.0372 143 HIS A CD2 
2238 C CE1 . HIS A 127 ? 0.3374 0.1973 0.1952 -0.0273 0.0473  -0.0284 143 HIS A CE1 
2239 N NE2 . HIS A 127 ? 0.2797 0.1847 0.1906 -0.0081 0.0410  -0.0197 143 HIS A NE2 
2247 N N   . HIS A 128 ? 0.3702 0.2243 0.3354 -0.0454 -0.0820 0.0076  144 HIS A N   
2248 C CA  . HIS A 128 ? 0.3098 0.2290 0.3851 -0.0882 -0.0903 -0.0095 144 HIS A CA  
2249 C C   . HIS A 128 ? 0.3126 0.2664 0.4169 -0.0471 -0.0949 -0.0121 144 HIS A C   
2250 O O   . HIS A 128 ? 0.3611 0.2766 0.4225 -0.0134 -0.0728 -0.0123 144 HIS A O   
2251 C CB  . HIS A 128 ? 0.3454 0.2558 0.3985 -0.0927 -0.1062 -0.0173 144 HIS A CB  
2252 C CG  . HIS A 128 ? 0.3858 0.2796 0.4092 -0.1075 -0.1030 -0.0091 144 HIS A CG  
2253 N ND1 . HIS A 128 ? 0.3981 0.3107 0.4177 -0.0838 -0.0984 -0.0019 144 HIS A ND1 
2254 C CD2 . HIS A 128 ? 0.4141 0.3029 0.4150 -0.1153 -0.1038 -0.0079 144 HIS A CD2 
2255 C CE1 . HIS A 128 ? 0.3938 0.3041 0.4267 -0.1321 -0.0954 -0.0102 144 HIS A CE1 
2256 N NE2 . HIS A 128 ? 0.4129 0.3214 0.4215 -0.1267 -0.0969 -0.0160 144 HIS A NE2 
2264 N N   . HIS A 129 ? 0.3056 0.2778 0.4421 -0.0409 -0.0835 -0.0031 145 HIS A N   
2265 C CA  . HIS A 129 ? 0.3505 0.3201 0.4704 -0.0070 -0.0537 0.0193  145 HIS A CA  
2266 C C   . HIS A 129 ? 0.3526 0.3512 0.4729 -0.0107 -0.0604 0.0153  145 HIS A C   
2267 O O   . HIS A 129 ? 0.2242 0.3196 0.4503 -0.0769 -0.0939 0.0074  145 HIS A O   
2268 C CB  . HIS A 129 ? 0.3911 0.3105 0.4878 -0.0182 -0.0276 0.0368  145 HIS A CB  
2269 C CG  . HIS A 129 ? 0.4241 0.3121 0.5051 -0.0097 -0.0226 0.0475  145 HIS A CG  
2270 N ND1 . HIS A 129 ? 0.4432 0.3111 0.5097 -0.0124 -0.0220 0.0569  145 HIS A ND1 
2271 C CD2 . HIS A 129 ? 0.4439 0.3166 0.5142 0.0010  -0.0232 0.0476  145 HIS A CD2 
2272 C CE1 . HIS A 129 ? 0.4549 0.3124 0.5133 -0.0100 -0.0224 0.0555  145 HIS A CE1 
2273 N NE2 . HIS A 129 ? 0.4539 0.3117 0.5151 -0.0048 -0.0255 0.0545  145 HIS A NE2 
2274 O OXT . HIS A 129 ? 0.4175 0.3790 0.4872 0.0002  -0.0361 0.0199  145 HIS A OXT 
2282 N N   . PHE B 1   ? 0.1495 0.1342 0.0927 -0.0179 -0.0193 -0.0056 1   PHE B N   
2283 C CA  . PHE B 1   ? 0.1299 0.1290 0.0961 -0.0096 -0.0107 -0.0020 1   PHE B CA  
2284 C C   . PHE B 1   ? 0.1113 0.1313 0.1057 0.0069  -0.0125 0.0021  1   PHE B C   
2285 O O   . PHE B 1   ? 0.1350 0.1287 0.1283 -0.0099 -0.0062 0.0022  1   PHE B O   
2286 C CB  . PHE B 1   ? 0.1250 0.1390 0.0853 -0.0210 0.0019  -0.0043 1   PHE B CB  
2287 C CG  . PHE B 1   ? 0.1128 0.1174 0.0937 -0.0085 0.0102  0.0032  1   PHE B CG  
2288 C CD1 . PHE B 1   ? 0.1252 0.1137 0.1050 -0.0101 0.0009  0.0163  1   PHE B CD1 
2289 C CD2 . PHE B 1   ? 0.1297 0.1056 0.1020 -0.0046 -0.0094 0.0094  1   PHE B CD2 
2290 C CE1 . PHE B 1   ? 0.1199 0.1074 0.0973 0.0022  -0.0086 -0.0014 1   PHE B CE1 
2291 C CE2 . PHE B 1   ? 0.1318 0.1152 0.1036 -0.0086 -0.0043 0.0186  1   PHE B CE2 
2292 C CZ  . PHE B 1   ? 0.1232 0.1321 0.0918 0.0065  -0.0082 -0.0005 1   PHE B CZ  
2302 C C1  . MEA B 2   ? 0.1879 0.1362 0.1220 0.0123  -0.0104 -0.0061 2   MEA B C1  
2303 N N   . MEA B 2   ? 0.1202 0.1419 0.1128 0.0022  0.0032  0.0009  2   MEA B N   
2304 C CA  . MEA B 2   ? 0.1370 0.2095 0.1324 0.0324  0.0074  0.0027  2   MEA B CA  
2305 C C   . MEA B 2   ? 0.1350 0.2593 0.1312 0.0549  0.0197  0.0039  2   MEA B C   
2306 O O   . MEA B 2   ? 0.1766 0.3340 0.1437 0.1111  0.0120  -0.0152 2   MEA B O   
2307 C CB  . MEA B 2   ? 0.1402 0.2469 0.1465 0.0363  -0.0025 0.0039  2   MEA B CB  
2308 C CG  . MEA B 2   ? 0.1333 0.2564 0.1641 0.0168  -0.0280 -0.0274 2   MEA B CG  
2309 C CD1 . MEA B 2   ? 0.1502 0.2638 0.1505 0.0439  -0.0303 -0.0296 2   MEA B CD1 
2310 C CE1 . MEA B 2   ? 0.1252 0.2821 0.1678 0.0478  -0.0349 -0.0547 2   MEA B CE1 
2311 C CZ  . MEA B 2   ? 0.1741 0.2985 0.1978 0.0387  -0.0385 -0.0475 2   MEA B CZ  
2312 C CE2 . MEA B 2   ? 0.2139 0.3025 0.2003 -0.0139 -0.0465 -0.0324 2   MEA B CE2 
2313 C CD2 . MEA B 2   ? 0.1960 0.2930 0.1925 -0.0211 -0.0498 -0.0299 2   MEA B CD2 
2325 N N   . 9KK B 3   ? 0.1447 0.2138 0.1247 0.0331  0.0319  0.0167  3   9KK B N   
2326 C CE  . 9KK B 3   ? 0.2964 0.2151 0.1889 0.0404  -0.0101 -0.0646 3   9KK B CE  
2327 C CD  . 9KK B 3   ? 0.2881 0.1960 0.1821 0.0563  0.0159  -0.0563 3   9KK B CD  
2328 C CG  . 9KK B 3   ? 0.2814 0.2055 0.1499 0.0568  0.0102  -0.0159 3   9KK B CG  
2329 C CB  . 9KK B 3   ? 0.2432 0.1699 0.1405 0.0335  0.0055  0.0038  3   9KK B CB  
2330 C CA  . 9KK B 3   ? 0.1584 0.2023 0.1297 0.0164  0.0296  0.0095  3   9KK B CA  
2331 C CM  . 9KK B 3   ? 0.1617 0.1883 0.1177 0.0294  0.0276  0.0199  3   9KK B CM  
2332 C C   . 9KK B 3   ? 0.1654 0.2138 0.1195 -0.0089 0.0226  0.0106  3   9KK B C   
2333 O O   . 9KK B 3   ? 0.1737 0.2019 0.1219 -0.0074 0.0036  0.0051  3   9KK B O   
2347 N N   . SAR B 4   ? 0.1621 0.2564 0.1297 -0.0087 0.0369  0.0084  4   SAR B N   
2348 C CA  . SAR B 4   ? 0.1477 0.2540 0.1233 -0.0231 0.0412  -0.0001 4   SAR B CA  
2349 C C   . SAR B 4   ? 0.1766 0.2119 0.1140 -0.0569 0.0254  -0.0033 4   SAR B C   
2350 O O   . SAR B 4   ? 0.1733 0.2409 0.1048 -0.0379 0.0280  -0.0143 4   SAR B O   
2351 C CN  . SAR B 4   ? 0.1610 0.2923 0.1467 -0.0132 0.0113  0.0206  4   SAR B CN  
2357 N N   . ASP B 5   ? 0.1894 0.1598 0.1064 -0.0563 0.0419  -0.0229 5   ASP B N   
2358 C CA  . ASP B 5   ? 0.1866 0.1404 0.0962 -0.0468 0.0421  -0.0249 5   ASP B CA  
2359 C C   . ASP B 5   ? 0.1827 0.1063 0.0848 -0.0325 0.0254  -0.0153 5   ASP B C   
2360 O O   . ASP B 5   ? 0.1867 0.1011 0.0987 -0.0339 0.0255  0.0005  5   ASP B O   
2361 C CB  . ASP B 5   ? 0.2351 0.1375 0.1092 -0.0718 0.0465  -0.0124 5   ASP B CB  
2362 C CG  . ASP B 5   ? 0.2553 0.1661 0.1162 -0.1080 0.0424  -0.0131 5   ASP B CG  
2363 O OD1 . ASP B 5   ? 0.3466 0.2315 0.1350 -0.1586 0.0369  -0.0156 5   ASP B OD1 
2364 O OD2 . ASP B 5   ? 0.2217 0.1613 0.1376 -0.0867 0.0113  -0.0200 5   ASP B OD2 
2370 N N   . VAL B 6   ? 0.1596 0.1171 0.0845 -0.0257 0.0252  -0.0099 6   VAL B N   
2371 C CA  . VAL B 6   ? 0.1547 0.0950 0.0863 -0.0209 0.0188  -0.0002 6   VAL B CA  
2372 C C   . VAL B 6   ? 0.1491 0.0810 0.0759 -0.0203 0.0103  0.0004  6   VAL B C   
2373 O O   . VAL B 6   ? 0.1447 0.0933 0.0762 -0.0124 0.0187  -0.0030 6   VAL B O   
2374 C CB  . VAL B 6   ? 0.1679 0.0977 0.0924 -0.0109 0.0173  -0.0069 6   VAL B CB  
2375 C CG1 . VAL B 6   ? 0.1682 0.0885 0.1220 -0.0174 0.0384  -0.0114 6   VAL B CG1 
2376 C CG2 . VAL B 6   ? 0.1679 0.0990 0.0946 -0.0107 0.0240  -0.0113 6   VAL B CG2 
2386 C C1  . MEA B 7   ? 0.1665 0.1268 0.0772 -0.0231 0.0029  0.0118  7   MEA B C1  
2387 N N   . MEA B 7   ? 0.1609 0.0904 0.0733 -0.0232 0.0053  0.0035  7   MEA B N   
2388 C CA  . MEA B 7   ? 0.1508 0.0859 0.0779 -0.0113 0.0084  0.0022  7   MEA B CA  
2389 C C   . MEA B 7   ? 0.1435 0.0906 0.0752 -0.0126 0.0060  0.0052  7   MEA B C   
2390 O O   . MEA B 7   ? 0.1580 0.0893 0.0802 -0.0119 0.0117  0.0011  7   MEA B O   
2391 C CB  . MEA B 7   ? 0.1449 0.0903 0.0752 -0.0185 0.0061  -0.0017 7   MEA B CB  
2392 C CG  . MEA B 7   ? 0.1081 0.0917 0.0673 -0.0092 0.0174  -0.0029 7   MEA B CG  
2393 C CD1 . MEA B 7   ? 0.1285 0.0914 0.0699 -0.0023 0.0084  -0.0039 7   MEA B CD1 
2394 C CE1 . MEA B 7   ? 0.1319 0.1004 0.0652 -0.0073 0.0056  0.0017  7   MEA B CE1 
2395 C CZ  . MEA B 7   ? 0.1273 0.0980 0.0660 -0.0174 0.0091  -0.0069 7   MEA B CZ  
2396 C CE2 . MEA B 7   ? 0.1236 0.0908 0.0709 -0.0081 0.0146  -0.0024 7   MEA B CE2 
2397 C CD2 . MEA B 7   ? 0.1167 0.0911 0.0740 -0.0039 0.0096  -0.0062 7   MEA B CD2 
2409 N N   . TYR B 8   ? 0.1597 0.0855 0.0901 -0.0183 0.0178  -0.0024 8   TYR B N   
2410 C CA  . TYR B 8   ? 0.1553 0.0893 0.0886 -0.0193 0.0068  -0.0092 8   TYR B CA  
2411 C C   . TYR B 8   ? 0.1587 0.0818 0.0860 -0.0165 0.0093  0.0024  8   TYR B C   
2412 O O   . TYR B 8   ? 0.1677 0.0917 0.1070 -0.0038 0.0008  -0.0015 8   TYR B O   
2413 C CB  . TYR B 8   ? 0.1546 0.0936 0.0906 -0.0227 0.0149  -0.0089 8   TYR B CB  
2414 C CG  . TYR B 8   ? 0.1573 0.0921 0.0942 -0.0183 0.0168  0.0001  8   TYR B CG  
2415 C CD1 . TYR B 8   ? 0.1561 0.0883 0.0882 -0.0038 0.0110  -0.0034 8   TYR B CD1 
2416 C CD2 . TYR B 8   ? 0.1644 0.0961 0.1235 -0.0124 0.0140  -0.0056 8   TYR B CD2 
2417 C CE1 . TYR B 8   ? 0.1838 0.0906 0.0879 -0.0007 -0.0121 -0.0076 8   TYR B CE1 
2418 C CE2 . TYR B 8   ? 0.1636 0.1046 0.1290 -0.0062 0.0063  0.0000  8   TYR B CE2 
2419 C CZ  . TYR B 8   ? 0.1825 0.1001 0.1098 -0.0069 -0.0155 -0.0049 8   TYR B CZ  
2420 O OH  . TYR B 8   ? 0.1970 0.1157 0.1357 -0.0142 -0.0316 -0.0238 8   TYR B OH  
2429 N N   . SAR B 9   ? 0.1619 0.0922 0.0877 -0.0166 0.0153  -0.0029 9   SAR B N   
2430 C CA  . SAR B 9   ? 0.1626 0.0816 0.0926 -0.0069 0.0189  -0.0120 9   SAR B CA  
2431 C C   . SAR B 9   ? 0.1668 0.0930 0.0997 -0.0098 0.0094  -0.0059 9   SAR B C   
2432 O O   . SAR B 9   ? 0.2001 0.0922 0.1309 -0.0037 0.0497  -0.0147 9   SAR B O   
2433 C CN  . SAR B 9   ? 0.1673 0.1146 0.0810 -0.0104 -0.0010 -0.0058 9   SAR B CN  
2439 N N   . TRP B 10  ? 0.1638 0.0926 0.1022 -0.0086 0.0125  0.0019  10  TRP B N   
2440 C CA  . TRP B 10  ? 0.1538 0.1002 0.1105 -0.0125 0.0282  0.0052  10  TRP B CA  
2441 C C   . TRP B 10  ? 0.1485 0.1025 0.1079 -0.0074 0.0271  0.0021  10  TRP B C   
2442 O O   . TRP B 10  ? 0.1537 0.1594 0.1222 -0.0051 0.0246  0.0253  10  TRP B O   
2443 C CB  . TRP B 10  ? 0.1596 0.1016 0.1097 0.0039  0.0167  0.0088  10  TRP B CB  
2444 C CG  . TRP B 10  ? 0.1515 0.1033 0.1121 0.0098  0.0129  0.0203  10  TRP B CG  
2445 C CD1 . TRP B 10  ? 0.1670 0.1025 0.1239 0.0012  -0.0010 0.0186  10  TRP B CD1 
2446 C CD2 . TRP B 10  ? 0.1490 0.1161 0.1006 -0.0022 0.0190  0.0136  10  TRP B CD2 
2447 N NE1 . TRP B 10  ? 0.1938 0.1086 0.1365 -0.0001 0.0048  0.0210  10  TRP B NE1 
2448 C CE2 . TRP B 10  ? 0.1765 0.1172 0.1031 -0.0024 0.0025  0.0270  10  TRP B CE2 
2449 C CE3 . TRP B 10  ? 0.1346 0.1183 0.1100 -0.0008 0.0214  -0.0019 10  TRP B CE3 
2450 C CZ2 . TRP B 10  ? 0.1900 0.1410 0.0965 0.0028  0.0002  0.0303  10  TRP B CZ2 
2451 C CZ3 . TRP B 10  ? 0.1593 0.1284 0.1158 0.0026  0.0075  -0.0051 10  TRP B CZ3 
2452 C CH2 . TRP B 10  ? 0.1978 0.1276 0.1075 0.0148  0.0026  0.0128  10  TRP B CH2 
2463 N N   . TYR B 11  ? 0.1566 0.1033 0.1043 -0.0148 0.0081  0.0127  11  TYR B N   
2464 C CA  . TYR B 11  ? 0.1612 0.1101 0.0972 -0.0161 0.0156  0.0004  11  TYR B CA  
2465 C C   . TYR B 11  ? 0.1826 0.1059 0.1080 -0.0044 -0.0010 0.0025  11  TYR B C   
2466 O O   . TYR B 11  ? 0.1911 0.1089 0.1287 -0.0310 0.0040  -0.0077 11  TYR B O   
2467 C CB  . TYR B 11  ? 0.1728 0.1003 0.0929 -0.0117 0.0024  0.0012  11  TYR B CB  
2468 C CG  . TYR B 11  ? 0.1705 0.0969 0.0840 -0.0144 -0.0018 0.0029  11  TYR B CG  
2469 C CD1 . TYR B 11  ? 0.1648 0.0976 0.0864 -0.0120 0.0097  0.0033  11  TYR B CD1 
2470 C CD2 . TYR B 11  ? 0.1696 0.1341 0.0856 0.0013  -0.0048 -0.0006 11  TYR B CD2 
2471 C CE1 . TYR B 11  ? 0.1575 0.0995 0.0862 -0.0050 -0.0063 0.0049  11  TYR B CE1 
2472 C CE2 . TYR B 11  ? 0.1811 0.1516 0.0903 -0.0083 -0.0067 -0.0166 11  TYR B CE2 
2473 C CZ  . TYR B 11  ? 0.1588 0.1146 0.0987 -0.0141 0.0132  -0.0054 11  TYR B CZ  
2474 O OH  . TYR B 11  ? 0.1609 0.1608 0.1165 -0.0245 0.0069  -0.0153 11  TYR B OH  
2484 N N   . LEU B 12  ? 0.2068 0.1091 0.1195 -0.0110 -0.0171 -0.0100 12  LEU B N   
2485 C CA  . LEU B 12  ? 0.2405 0.1299 0.1399 -0.0123 -0.0407 -0.0275 12  LEU B CA  
2486 C C   . LEU B 12  ? 0.2411 0.1302 0.1525 -0.0049 -0.0549 -0.0311 12  LEU B C   
2487 O O   . LEU B 12  ? 0.2532 0.1561 0.1861 -0.0099 -0.0953 -0.0568 12  LEU B O   
2488 C CB  . LEU B 12  ? 0.2815 0.1543 0.1290 0.0208  0.0025  -0.0325 12  LEU B CB  
2489 C CG  . LEU B 12  ? 0.3157 0.1712 0.1504 0.0426  -0.0008 -0.0288 12  LEU B CG  
2490 C CD1 . LEU B 12  ? 0.3611 0.2044 0.1635 0.0683  0.0408  -0.0090 12  LEU B CD1 
2491 C CD2 . LEU B 12  ? 0.3607 0.1508 0.1797 0.0407  0.0054  -0.0130 12  LEU B CD2 
2503 N N   . CCS B 13  ? 0.1821 0.1237 0.1154 -0.0158 -0.0320 -0.0199 13  CCS B N   
2504 C CA  . CCS B 13  ? 0.1946 0.1376 0.1138 -0.0323 -0.0217 -0.0176 13  CCS B CA  
2505 C CB  . CCS B 13  ? 0.1594 0.1583 0.0919 -0.0152 -0.0240 -0.0136 13  CCS B CB  
2506 S SG  . CCS B 13  ? 0.1648 0.1522 0.0866 -0.0054 -0.0205 -0.0012 13  CCS B SG  
2507 C CD  . CCS B 13  ? 0.1702 0.1434 0.0936 0.0000  -0.0384 -0.0126 13  CCS B CD  
2508 C CE  . CCS B 13  ? 0.1460 0.1332 0.0907 -0.0155 -0.0207 -0.0016 13  CCS B CE  
2509 O OZ1 . CCS B 13  ? 0.1512 0.1334 0.0887 -0.0176 -0.0183 0.0060  13  CCS B OZ1 
2510 C C   . CCS B 13  ? 0.2048 0.1585 0.1664 -0.0393 -0.0280 -0.0342 13  CCS B C   
2511 O O   . CCS B 13  ? 0.1907 0.1533 0.1665 -0.0134 0.0012  -0.0124 13  CCS B O   
2518 N N   . GLY B 14  ? 0.2164 0.2206 0.2476 -0.0679 -0.0108 -0.0839 14  GLY B N   
2519 C CA  . GLY B 14  ? 0.2827 0.2568 0.3115 -0.0820 0.0399  -0.1120 14  GLY B CA  
2520 C C   . GLY B 14  ? 0.3754 0.3188 0.3715 -0.0763 0.0679  -0.1016 14  GLY B C   
2521 O O   . GLY B 14  ? 0.4033 0.3123 0.3973 -0.0900 0.0548  -0.1148 14  GLY B O   
2525 N N   . NH2 B 15  ? 0.3840 0.3330 0.3923 -0.0481 0.0839  -0.0906 15  NH2 B N   
2528 O O   . HOH C .   ? 0.1639 0.2920 0.1216 -0.0216 0.0041  0.0130  301 HOH A O   
2529 O O   . HOH C .   ? 1.1625 0.4619 1.2461 0.2883  0.0939  -0.1450 302 HOH A O   
2530 O O   . HOH C .   ? 0.2236 0.1754 0.1545 0.0302  -0.0230 -0.0254 303 HOH A O   
2531 O O   . HOH C .   ? 0.4873 0.4487 0.5581 -0.1350 0.0319  0.1781  304 HOH A O   
2532 O O   . HOH C .   ? 0.9561 0.5985 1.3128 0.0116  0.3564  0.0520  305 HOH A O   
2533 O O   . HOH C .   ? 0.2029 0.3109 0.1261 0.0439  -0.0069 -0.0065 306 HOH A O   
2534 O O   A HOH C .   ? 0.2582 0.1543 0.2269 0.0285  -0.0171 0.0125  307 HOH A O   
2535 O O   B HOH C .   ? 0.2731 0.2477 0.5146 0.1084  -0.1079 -0.0982 307 HOH A O   
2536 O O   . HOH C .   ? 0.4692 1.0372 0.4685 -0.1971 -0.0041 -0.2869 308 HOH A O   
2537 O O   . HOH C .   ? 0.6241 0.6252 0.6204 -0.0540 0.0370  0.0660  309 HOH A O   
2538 O O   . HOH C .   ? 0.9317 0.8581 0.5556 0.4556  -0.0369 0.1339  310 HOH A O   
2539 O O   . HOH C .   ? 0.6683 0.6977 0.4739 -0.0442 0.0476  0.0000  311 HOH A O   
2540 O O   . HOH C .   ? 0.7166 0.7250 0.6234 0.0587  0.1270  -0.0014 312 HOH A O   
2541 O O   . HOH C .   ? 0.4078 0.7284 0.7094 -0.2264 0.0676  -0.1373 313 HOH A O   
2542 O O   A HOH C .   ? 0.4237 0.5087 0.2156 0.0615  0.1004  -0.0600 314 HOH A O   
2543 O O   B HOH C .   ? 0.5743 0.2831 0.3875 -0.1177 0.1362  -0.1176 314 HOH A O   
2544 O O   . HOH C .   ? 0.6978 0.6645 0.7734 -0.0168 -0.0228 0.2143  315 HOH A O   
2545 O O   . HOH C .   ? 0.5808 0.3578 0.4428 0.0109  -0.1619 -0.1295 316 HOH A O   
2546 O O   . HOH C .   ? 0.4355 0.3800 0.2843 0.0732  0.0485  -0.1196 317 HOH A O   
2547 O O   . HOH C .   ? 0.4410 0.2402 0.2690 -0.0869 -0.0144 -0.0466 318 HOH A O   
2548 O O   . HOH C .   ? 0.4160 0.3991 0.1367 0.0093  0.0339  -0.0872 319 HOH A O   
2549 O O   . HOH C .   ? 0.5776 0.8692 0.5262 -0.1641 0.0710  0.0673  320 HOH A O   
2550 O O   . HOH C .   ? 0.4966 0.5231 0.7026 0.0635  -0.1021 -0.0216 321 HOH A O   
2551 O O   . HOH C .   ? 0.3370 0.3656 0.4872 -0.0866 0.0169  -0.0529 322 HOH A O   
2552 O O   . HOH C .   ? 0.5056 0.5838 0.8896 -0.0843 0.0276  -0.0584 323 HOH A O   
2553 O O   . HOH C .   ? 0.4515 0.3223 0.3873 0.0320  -0.0599 0.0439  324 HOH A O   
2554 O O   . HOH C .   ? 0.5095 0.3430 0.7603 0.0681  0.1026  0.0425  325 HOH A O   
2555 O O   . HOH C .   ? 0.1601 0.1560 0.0792 0.0071  0.0110  0.0085  326 HOH A O   
2556 O O   . HOH C .   ? 0.2827 0.4502 0.3342 0.0512  -0.1376 -0.0840 327 HOH A O   
2557 O O   . HOH C .   ? 0.6716 0.4266 0.4689 0.0436  0.0686  0.1633  328 HOH A O   
2558 O O   . HOH C .   ? 0.5079 0.7479 0.9713 0.2599  0.2601  0.2658  329 HOH A O   
2559 O O   . HOH C .   ? 0.5007 0.2520 0.7111 -0.1123 0.1542  -0.0940 330 HOH A O   
2560 O O   . HOH C .   ? 0.2404 0.1686 0.1720 0.0018  -0.0579 -0.0012 331 HOH A O   
2561 O O   . HOH C .   ? 1.3233 0.5729 0.7649 0.3378  0.5297  0.2039  332 HOH A O   
2562 O O   . HOH C .   ? 0.1994 0.2713 0.4044 0.0584  0.1158  0.1552  333 HOH A O   
2563 O O   . HOH C .   ? 0.1602 0.1074 0.1095 0.0086  -0.0065 -0.0073 334 HOH A O   
2564 O O   . HOH C .   ? 0.3876 0.2961 0.3051 0.1244  -0.0012 0.0671  335 HOH A O   
2565 O O   . HOH C .   ? 0.3967 0.9557 0.2711 -0.1601 -0.0281 -0.0592 336 HOH A O   
2566 O O   . HOH C .   ? 0.3581 0.3785 0.2329 0.1588  0.0769  0.0313  337 HOH A O   
2567 O O   . HOH C .   ? 0.1652 0.2293 0.1160 0.0357  0.0281  0.0458  338 HOH A O   
2568 O O   . HOH C .   ? 0.9820 0.3616 0.9351 0.1777  0.1579  -0.1080 339 HOH A O   
2569 O O   A HOH C .   ? 0.1167 0.1592 0.1683 -0.0058 0.0003  -0.0230 340 HOH A O   
2570 O O   B HOH C .   ? 0.1672 0.1897 0.6196 -0.0180 0.0384  -0.0435 340 HOH A O   
2571 O O   . HOH C .   ? 0.2361 0.1621 0.2254 0.0338  0.0317  0.0145  341 HOH A O   
2572 O O   . HOH C .   ? 0.3165 0.3066 0.1542 -0.0798 0.0247  -0.0311 342 HOH A O   
2573 O O   . HOH C .   ? 0.4727 0.1985 0.2619 -0.0843 0.0865  -0.0448 343 HOH A O   
2574 O O   . HOH C .   ? 0.1730 0.1926 0.1759 -0.0073 -0.0072 0.0112  344 HOH A O   
2575 O O   . HOH C .   ? 0.2817 0.3154 0.1253 -0.0777 -0.0136 0.0743  345 HOH A O   
2576 O O   A HOH C .   ? 0.1570 0.1633 0.1466 -0.0879 0.0199  -0.0407 346 HOH A O   
2577 O O   B HOH C .   ? 0.4190 0.5515 0.2076 0.0812  -0.0963 0.0355  346 HOH A O   
2578 O O   . HOH C .   ? 0.4687 0.2194 0.3330 0.0287  0.0114  0.0450  347 HOH A O   
2579 O O   . HOH C .   ? 0.3692 0.1575 0.1330 0.0741  0.0103  0.0049  348 HOH A O   
2580 O O   . HOH C .   ? 0.4149 0.3397 0.5602 -0.0488 0.2235  -0.1816 349 HOH A O   
2581 O O   A HOH C .   ? 0.4018 0.3726 0.2886 0.0289  0.1700  0.1093  350 HOH A O   
2582 O O   B HOH C .   ? 1.2730 0.7015 0.7957 0.0103  0.0744  0.1311  350 HOH A O   
2583 O O   . HOH C .   ? 0.2134 0.1383 0.1504 -0.0174 -0.0002 0.0499  351 HOH A O   
2584 O O   . HOH C .   ? 0.3083 0.8611 0.3862 0.0889  -0.1083 -0.1510 352 HOH A O   
2585 O O   . HOH C .   ? 0.6332 0.6695 0.4881 0.2258  0.1198  0.2966  353 HOH A O   
2586 O O   . HOH C .   ? 0.4728 0.2818 0.4406 0.1145  0.2507  0.1341  354 HOH A O   
2587 O O   A HOH C .   ? 0.5339 0.5787 0.6752 0.0274  0.1735  -0.3135 355 HOH A O   
2588 O O   B HOH C .   ? 0.2867 0.3928 0.4991 -0.1015 0.1321  -0.2499 355 HOH A O   
2589 O O   . HOH C .   ? 0.2281 0.3506 0.2173 0.0879  0.0025  -0.0660 356 HOH A O   
2590 O O   . HOH C .   ? 0.4668 0.3409 0.7672 0.0260  0.0664  0.1705  357 HOH A O   
2591 O O   . HOH C .   ? 0.1598 0.2448 0.0695 -0.0025 -0.0032 0.0076  358 HOH A O   
2592 O O   . HOH C .   ? 0.1923 0.1160 0.1365 -0.0071 -0.0163 -0.0203 359 HOH A O   
2593 O O   . HOH C .   ? 0.2112 0.1604 0.1862 0.0355  -0.0119 0.0010  360 HOH A O   
2594 O O   . HOH C .   ? 0.4223 0.3753 1.0006 0.0365  -0.0855 0.1460  361 HOH A O   
2595 O O   . HOH C .   ? 0.1756 0.2641 0.0932 0.0306  0.0132  -0.0037 362 HOH A O   
2596 O O   A HOH C .   ? 0.2285 0.2368 0.0982 -0.0702 -0.0291 -0.0167 363 HOH A O   
2597 O O   B HOH C .   ? 0.2284 0.5316 0.2786 -0.0711 -0.0633 -0.1129 363 HOH A O   
2598 O O   . HOH C .   ? 0.1516 0.1411 0.0960 -0.0110 -0.0247 0.0032  364 HOH A O   
2599 O O   . HOH C .   ? 0.1496 0.1837 0.2244 -0.0186 -0.0168 0.0675  365 HOH A O   
2600 O O   . HOH C .   ? 0.8913 1.1317 0.5351 -0.5900 0.0955  -0.1262 366 HOH A O   
2601 O O   A HOH C .   ? 0.3516 0.4745 0.3818 -0.1281 0.1433  0.0614  367 HOH A O   
2602 O O   B HOH C .   ? 0.4050 0.3759 0.2409 0.1493  0.0026  0.1238  367 HOH A O   
2603 O O   A HOH C .   ? 0.4154 0.3959 0.4744 0.0860  -0.1463 0.1710  368 HOH A O   
2604 O O   B HOH C .   ? 1.4359 0.5310 0.5430 0.0788  -0.2660 0.1004  368 HOH A O   
2605 O O   . HOH C .   ? 0.2257 0.1797 0.2430 0.0214  -0.0137 -0.0177 369 HOH A O   
2606 O O   . HOH C .   ? 0.1792 0.2746 0.3013 -0.0407 -0.0882 0.0915  370 HOH A O   
2607 O O   A HOH C .   ? 0.6529 0.8472 0.7622 0.2211  -0.3125 0.1736  371 HOH A O   
2608 O O   B HOH C .   ? 0.2911 0.5629 0.2636 0.0775  -0.0019 -0.1851 371 HOH A O   
2609 O O   . HOH C .   ? 0.1781 0.1725 0.1213 -0.0003 0.0031  -0.0088 372 HOH A O   
2610 O O   . HOH C .   ? 0.1721 0.1893 0.1874 -0.0233 -0.0319 0.0248  373 HOH A O   
2611 O O   . HOH C .   ? 0.7415 0.6258 0.2756 -0.1740 0.0200  0.0827  374 HOH A O   
2612 O O   . HOH C .   ? 0.5683 0.5218 0.8546 -0.1310 0.0600  0.1007  375 HOH A O   
2613 O O   . HOH C .   ? 1.6200 0.6573 0.8221 0.1905  0.4325  0.1033  376 HOH A O   
2614 O O   . HOH C .   ? 0.9063 0.2982 0.7715 -0.0385 -0.0983 0.0190  377 HOH A O   
2615 O O   . HOH C .   ? 0.4571 0.4988 0.4884 -0.1995 -0.0103 0.1392  378 HOH A O   
2616 O O   A HOH C .   ? 0.1959 0.1759 0.0946 0.0124  -0.0001 -0.0079 379 HOH A O   
2617 O O   B HOH C .   ? 0.2604 0.4728 0.6076 -0.0649 -0.1331 -0.1316 379 HOH A O   
2618 O O   A HOH C .   ? 0.4433 0.4605 0.1923 0.0518  -0.0946 0.0953  380 HOH A O   
2619 O O   B HOH C .   ? 0.5138 0.5596 0.2248 -0.1396 0.0544  -0.1194 380 HOH A O   
2620 O O   A HOH C .   ? 0.3444 0.1707 0.1401 -0.0280 0.0023  0.0273  381 HOH A O   
2621 O O   B HOH C .   ? 0.6234 0.2314 0.3120 -0.0695 -0.2083 0.0635  381 HOH A O   
2622 O O   A HOH C .   ? 0.1465 0.2927 0.2461 -0.0521 -0.0203 0.1366  382 HOH A O   
2623 O O   B HOH C .   ? 0.3657 0.4606 0.4852 -0.0198 -0.1816 0.1279  382 HOH A O   
2624 O O   . HOH C .   ? 0.2864 0.5868 0.1950 -0.1166 -0.0297 0.1141  383 HOH A O   
2625 O O   . HOH C .   ? 0.7754 0.8344 1.4137 0.4330  -0.1180 -0.0441 384 HOH A O   
2626 O O   . HOH C .   ? 0.1711 0.1840 0.1239 -0.0202 -0.0241 -0.0227 385 HOH A O   
2627 O O   . HOH C .   ? 0.5540 0.3861 0.3514 0.0681  0.0032  0.0273  386 HOH A O   
2628 O O   . HOH C .   ? 0.1654 0.1555 0.1275 0.0111  0.0136  0.0139  387 HOH A O   
2629 O O   . HOH C .   ? 0.1408 0.2553 0.0997 -0.0087 0.0133  0.0287  388 HOH A O   
2630 O O   . HOH C .   ? 0.3451 0.2351 0.2344 0.0785  0.0608  0.0959  389 HOH A O   
2631 O O   . HOH C .   ? 0.3803 0.3448 0.7503 0.1684  -0.0336 0.0371  390 HOH A O   
2632 O O   . HOH C .   ? 0.2730 0.2440 0.2982 -0.0014 0.0694  -0.0788 391 HOH A O   
2633 O O   . HOH C .   ? 0.1438 0.1172 0.0900 0.0103  0.0149  0.0002  392 HOH A O   
2634 O O   . HOH C .   ? 0.2414 0.2058 0.1420 0.0427  0.0015  -0.0048 393 HOH A O   
2635 O O   . HOH C .   ? 0.1712 0.2611 0.1810 0.0384  0.0292  0.0138  394 HOH A O   
2636 O O   . HOH C .   ? 0.2189 0.1427 0.1465 0.0355  0.0076  0.0194  395 HOH A O   
2637 O O   . HOH C .   ? 0.1402 0.1665 0.1383 0.0283  -0.0158 0.0223  396 HOH A O   
2638 O O   . HOH C .   ? 0.4469 0.1688 0.1323 0.0366  0.0022  -0.0293 397 HOH A O   
2639 O O   . HOH C .   ? 0.5775 0.2380 0.1677 0.0836  0.0761  0.0242  398 HOH A O   
2640 O O   . HOH C .   ? 0.2734 0.1870 0.2267 -0.0463 -0.0047 -0.0435 399 HOH A O   
2641 O O   . HOH C .   ? 0.2130 0.2346 0.4773 0.0487  -0.0756 -0.0543 400 HOH A O   
2642 O O   . HOH C .   ? 0.6173 0.6186 0.1868 -0.0178 -0.0198 -0.1036 401 HOH A O   
2643 O O   . HOH C .   ? 0.1330 0.3186 0.1569 -0.0096 -0.0204 0.0230  402 HOH A O   
2644 O O   . HOH C .   ? 0.2638 0.1958 0.4744 0.0372  0.1538  0.0284  403 HOH A O   
2645 O O   . HOH C .   ? 0.2980 0.2125 0.1687 -0.0322 0.0457  0.0155  404 HOH A O   
2646 O O   . HOH C .   ? 0.6980 0.2217 0.3704 0.0085  0.0781  0.0883  405 HOH A O   
2647 O O   . HOH C .   ? 0.4090 0.2274 0.1547 0.0474  0.0447  -0.0347 406 HOH A O   
2648 O O   . HOH C .   ? 0.6071 0.6562 0.4866 0.0766  0.2967  0.1454  407 HOH A O   
2649 O O   . HOH C .   ? 0.2264 0.2689 0.3688 0.0108  0.0247  0.1363  408 HOH A O   
2650 O O   . HOH C .   ? 0.7542 0.3562 0.3092 -0.0442 -0.0699 -0.0063 409 HOH A O   
2651 O O   . HOH C .   ? 0.2718 0.2238 0.2509 -0.0029 0.0601  -0.0135 410 HOH A O   
2652 O O   . HOH C .   ? 0.3223 0.3630 0.3568 -0.1350 -0.0768 0.1084  411 HOH A O   
2653 O O   . HOH C .   ? 0.2507 0.3727 0.2016 -0.0307 -0.0716 -0.0820 412 HOH A O   
2654 O O   . HOH C .   ? 0.2048 0.1561 0.1151 0.0330  -0.0148 -0.0387 413 HOH A O   
2655 O O   . HOH C .   ? 0.2034 0.2076 0.1074 -0.0365 0.0007  0.0016  414 HOH A O   
2656 O O   . HOH C .   ? 0.2346 0.2150 0.1642 -0.0142 0.0070  -0.0518 415 HOH A O   
2657 O O   . HOH C .   ? 0.2080 0.3663 0.0986 0.0580  -0.0153 -0.0020 416 HOH A O   
2658 O O   . HOH C .   ? 0.1795 0.2361 0.1659 -0.0367 -0.0591 0.0236  417 HOH A O   
2659 O O   . HOH C .   ? 0.2131 0.2034 0.1426 0.0171  0.0158  0.0151  418 HOH A O   
2660 O O   . HOH C .   ? 0.3822 0.2685 0.3917 -0.0256 -0.0211 0.0477  419 HOH A O   
2661 O O   . HOH C .   ? 0.3363 0.1437 0.2809 -0.0136 -0.0181 0.0342  420 HOH A O   
2662 O O   . HOH C .   ? 0.1822 0.1978 0.0725 0.0013  -0.0273 0.0101  421 HOH A O   
2663 O O   . HOH C .   ? 0.2752 0.3607 0.2006 -0.0450 -0.0609 -0.0279 422 HOH A O   
2664 O O   . HOH C .   ? 0.1557 0.1417 0.1012 0.0277  -0.0318 -0.0170 423 HOH A O   
2665 O O   . HOH C .   ? 0.3100 0.4314 0.2751 -0.0955 -0.0290 -0.1371 424 HOH A O   
2666 O O   . HOH C .   ? 0.2389 0.6193 0.1605 0.0878  -0.0052 -0.0176 425 HOH A O   
2667 O O   . HOH C .   ? 0.2217 0.2484 0.3629 0.0238  0.0252  -0.0365 426 HOH A O   
2668 O O   . HOH C .   ? 0.7366 0.2898 0.6135 -0.1056 -0.0562 0.0504  427 HOH A O   
2669 O O   . HOH C .   ? 0.1447 0.3291 0.1800 -0.0271 -0.0220 0.0620  428 HOH A O   
2670 O O   . HOH C .   ? 0.5965 0.2942 0.6272 -0.1492 -0.1658 0.1183  429 HOH A O   
2671 O O   A HOH C .   ? 0.5217 0.4984 0.3562 -0.0715 -0.1548 0.1600  430 HOH A O   
2672 O O   B HOH C .   ? 0.5163 0.2557 0.4495 0.0418  -0.0171 0.0064  430 HOH A O   
2673 O O   . HOH C .   ? 0.5025 0.1796 0.3614 0.0494  0.2012  0.0004  431 HOH A O   
2674 O O   A HOH C .   ? 0.3226 0.3324 0.1582 -0.1639 -0.0017 0.0387  432 HOH A O   
2675 O O   B HOH C .   ? 0.3718 0.3662 0.2820 0.1536  -0.1352 -0.1559 432 HOH A O   
2676 O O   . HOH C .   ? 0.2250 0.1112 0.1468 0.0028  -0.0182 -0.0094 433 HOH A O   
2677 O O   . HOH C .   ? 0.3102 0.2307 0.0939 0.0052  -0.0305 0.0020  434 HOH A O   
2678 O O   . HOH C .   ? 0.2923 0.1947 0.1621 -0.0104 0.0226  -0.0519 435 HOH A O   
2679 O O   . HOH C .   ? 0.2572 0.1782 0.1166 -0.0411 -0.0424 -0.0029 436 HOH A O   
2680 O O   . HOH C .   ? 0.1495 0.2589 0.1381 -0.0513 -0.0184 0.0250  437 HOH A O   
2681 O O   . HOH C .   ? 0.8741 0.5821 0.3733 0.1679  0.2552  0.0525  438 HOH A O   
2682 O O   . HOH C .   ? 0.2296 0.3493 0.1651 0.0555  0.0216  0.1006  439 HOH A O   
2683 O O   . HOH C .   ? 0.1918 0.2203 0.1763 -0.0594 -0.0145 -0.0355 440 HOH A O   
2684 O O   . HOH C .   ? 0.1981 0.1589 0.0910 -0.0148 0.0052  -0.0267 441 HOH A O   
2685 O O   . HOH C .   ? 0.2520 0.1793 0.2889 -0.0092 -0.0970 -0.0676 442 HOH A O   
2686 O O   . HOH C .   ? 0.2189 0.2438 0.1541 -0.0042 0.0231  -0.0356 443 HOH A O   
2687 O O   . HOH C .   ? 0.6971 0.5621 0.5206 -0.0182 0.2126  -0.1638 444 HOH A O   
2688 O O   . HOH C .   ? 0.1744 0.4197 0.2383 0.0001  0.0528  0.0700  445 HOH A O   
2689 O O   . HOH C .   ? 0.5229 0.2271 0.2600 0.0934  0.1122  -0.0416 446 HOH A O   
2690 O O   . HOH C .   ? 0.2494 0.5805 0.5182 -0.0388 -0.0246 0.1811  447 HOH A O   
2691 O O   . HOH C .   ? 0.7348 0.6040 0.8835 0.2502  -0.3752 -0.0394 448 HOH A O   
2692 O O   . HOH C .   ? 0.5038 0.4248 0.2445 -0.0714 0.0283  0.0927  449 HOH A O   
2693 O O   . HOH C .   ? 0.3470 0.1945 0.1783 -0.1016 0.0356  -0.0108 450 HOH A O   
2694 O O   A HOH C .   ? 0.1352 0.2409 0.0631 0.0015  0.0131  0.0093  451 HOH A O   
2695 O O   B HOH C .   ? 0.5518 0.6745 0.6217 0.1377  -0.0582 0.0301  451 HOH A O   
2696 O O   A HOH C .   ? 0.3916 0.3524 0.1234 0.0657  -0.0020 -0.0533 452 HOH A O   
2697 O O   B HOH C .   ? 0.3959 0.4232 0.4008 0.1062  -0.1326 -0.1848 452 HOH A O   
2698 O O   . HOH C .   ? 0.3396 0.6261 0.2029 0.1847  -0.0092 -0.0792 453 HOH A O   
2699 O O   . HOH C .   ? 0.8131 0.2755 0.7378 0.1519  0.1172  -0.0258 454 HOH A O   
2700 O O   . HOH C .   ? 0.4185 0.4698 0.2193 0.2208  -0.0163 0.0246  455 HOH A O   
2701 O O   A HOH C .   ? 0.3032 0.2534 0.1708 0.1610  0.0074  0.0279  456 HOH A O   
2702 O O   B HOH C .   ? 0.2268 0.3855 0.2671 0.1379  0.0967  0.1694  456 HOH A O   
2703 O O   . HOH C .   ? 0.1182 0.2077 0.1441 0.0217  -0.0139 -0.0517 457 HOH A O   
2704 O O   . HOH C .   ? 0.3794 0.3391 0.3364 -0.1106 0.0533  0.0135  458 HOH A O   
2705 O O   . HOH C .   ? 0.5301 0.6944 0.3759 0.0549  0.0718  -0.1524 459 HOH A O   
2706 O O   . HOH C .   ? 0.1557 0.1625 0.0926 -0.0077 -0.0208 0.0026  460 HOH A O   
2707 O O   . HOH C .   ? 0.8261 0.6534 0.2599 -0.0080 0.0188  -0.1530 461 HOH A O   
2708 O O   . HOH C .   ? 0.3485 0.5908 0.5730 0.0432  0.0331  0.2861  462 HOH A O   
2709 O O   . HOH C .   ? 0.9751 0.7937 0.4371 -0.0069 -0.1838 -0.2552 463 HOH A O   
2710 O O   . HOH C .   ? 0.6304 0.5835 0.3221 -0.2983 0.1378  -0.0443 464 HOH A O   
2711 O O   . HOH C .   ? 0.5255 0.5432 0.9581 0.0277  0.2250  0.3445  465 HOH A O   
2712 O O   . HOH C .   ? 1.1486 0.8484 0.4160 -0.0005 -0.0809 0.1514  466 HOH A O   
2713 O O   . HOH C .   ? 0.2969 0.2808 0.2982 0.0706  0.1433  0.0374  467 HOH A O   
2714 O O   A HOH C .   ? 0.2646 0.1557 0.2180 0.0796  0.0189  0.0440  468 HOH A O   
2715 O O   B HOH C .   ? 0.4806 0.4939 0.3292 0.2488  0.0047  -0.0589 468 HOH A O   
2716 O O   A HOH C .   ? 0.5012 0.5635 0.3865 0.1037  0.1021  0.1559  469 HOH A O   
2717 O O   B HOH C .   ? 0.9920 0.7510 0.8698 0.0814  -0.1505 0.0431  469 HOH A O   
2718 O O   . HOH C .   ? 0.9500 0.9208 0.2894 -0.0211 -0.0930 -0.1547 470 HOH A O   
2719 O O   . HOH C .   ? 0.5393 0.3519 0.6743 -0.1226 0.1108  -0.0197 471 HOH A O   
2720 O O   . HOH C .   ? 0.9606 0.5351 0.8079 0.3407  0.2421  -0.0042 472 HOH A O   
2721 O O   . HOH C .   ? 0.4162 0.3223 0.5598 -0.1152 -0.0365 0.0652  473 HOH A O   
2722 O O   . HOH C .   ? 0.4486 0.1530 0.3573 -0.0531 0.1575  -0.0245 474 HOH A O   
2723 O O   . HOH C .   ? 0.5699 0.2597 0.6530 -0.0896 0.0227  -0.0551 475 HOH A O   
2724 O O   . HOH C .   ? 0.4759 0.6908 0.8058 0.1067  0.1343  0.1561  476 HOH A O   
2725 O O   . HOH C .   ? 0.5070 0.2726 0.3627 0.0271  -0.0442 -0.1612 477 HOH A O   
2726 O O   . HOH C .   ? 0.7118 0.3966 1.3326 0.1288  -0.0312 0.0177  478 HOH A O   
2727 O O   . HOH C .   ? 0.3534 0.8659 0.8105 0.0065  0.0908  -0.3198 479 HOH A O   
2728 O O   . HOH C .   ? 0.3809 0.6991 0.6351 -0.0717 -0.0428 0.1712  480 HOH A O   
2729 O O   . HOH C .   ? 0.8843 0.4814 0.6321 0.0688  0.1934  0.0291  481 HOH A O   
2730 O O   . HOH C .   ? 0.1872 0.1732 0.1799 -0.0008 0.0086  0.0062  482 HOH A O   
2731 O O   . HOH C .   ? 0.5191 0.1715 0.3093 0.0780  -0.0259 0.0224  483 HOH A O   
2732 O O   . HOH C .   ? 0.3901 0.3179 0.2467 -0.0503 0.0044  0.0420  484 HOH A O   
2733 O O   . HOH C .   ? 0.5286 0.4398 0.5982 0.1786  -0.1055 -0.1045 485 HOH A O   
2734 O O   . HOH C .   ? 0.4956 0.4392 0.9542 0.1468  0.2616  0.2865  486 HOH A O   
2735 O O   . HOH C .   ? 0.3205 0.6990 0.5979 0.0925  -0.1360 0.0690  487 HOH A O   
2736 O O   . HOH C .   ? 0.2853 0.4617 0.1274 0.0205  0.0150  0.0234  488 HOH A O   
2737 O O   . HOH C .   ? 0.3891 0.3734 0.2781 -0.1436 0.0816  -0.1112 489 HOH A O   
2738 O O   . HOH C .   ? 0.5129 0.3744 0.3771 -0.1208 0.1617  -0.0338 490 HOH A O   
2739 O O   . HOH C .   ? 0.3384 0.3079 0.4978 0.0410  0.1298  0.0252  491 HOH A O   
2740 O O   . HOH C .   ? 0.8565 0.2586 0.6158 -0.1370 -0.0379 0.0532  492 HOH A O   
2741 O O   . HOH C .   ? 1.0613 0.9992 0.4234 0.2209  0.2416  -0.0049 493 HOH A O   
2742 O O   A HOH C .   ? 0.3963 0.3003 0.4295 -0.0789 -0.0813 0.1026  494 HOH A O   
2743 O O   B HOH C .   ? 0.5461 0.3055 0.4103 0.0344  -0.1992 0.0086  494 HOH A O   
2744 O O   A HOH C .   ? 0.6741 0.4365 0.5099 0.0605  -0.1647 -0.1601 495 HOH A O   
2745 O O   B HOH C .   ? 0.4074 0.4243 0.5116 0.0328  -0.1257 0.1838  495 HOH A O   
2746 O O   A HOH C .   ? 0.2833 0.4487 0.5924 -0.0768 0.0627  0.1015  496 HOH A O   
2747 O O   B HOH C .   ? 0.3823 0.5425 0.5967 -0.0701 -0.1406 -0.0645 496 HOH A O   
2748 O O   . HOH C .   ? 0.1465 0.1882 0.3933 0.0222  -0.0730 -0.0946 497 HOH A O   
2749 O O   . HOH C .   ? 0.4469 0.4253 0.3118 0.0439  -0.0972 0.0434  498 HOH A O   
2750 O O   A HOH C .   ? 0.4559 0.4285 0.4564 -0.1670 0.0550  -0.0762 499 HOH A O   
2751 O O   B HOH C .   ? 0.6078 0.4495 0.3843 -0.1367 0.0574  0.1115  499 HOH A O   
2752 O O   . HOH C .   ? 0.7799 0.3218 0.6956 0.1156  -0.0321 0.0949  500 HOH A O   
2753 O O   . HOH C .   ? 0.2079 0.2529 0.3454 0.0145  0.0187  -0.0145 501 HOH A O   
2754 O O   . HOH C .   ? 0.9618 1.1879 1.0374 -0.3217 -0.1577 -0.0308 502 HOH A O   
2755 O O   . HOH C .   ? 0.3705 0.4763 0.2530 0.1307  0.1051  0.0539  503 HOH A O   
2756 O O   A HOH C .   ? 0.3680 0.2361 0.1909 -0.1463 0.0304  -0.0281 504 HOH A O   
2757 O O   B HOH C .   ? 0.4331 0.4895 0.6238 0.0929  -0.1774 -0.3027 504 HOH A O   
2758 O O   . HOH C .   ? 0.1848 0.2131 0.2478 -0.0541 -0.0771 0.0514  505 HOH A O   
2759 O O   . HOH C .   ? 0.2197 0.3719 0.3651 0.0410  0.0525  0.1742  506 HOH A O   
2760 O O   . HOH C .   ? 1.0851 0.5025 0.5225 0.2053  0.1549  0.0678  507 HOH A O   
2761 O O   . HOH C .   ? 0.4502 0.6108 0.3974 -0.0226 -0.0177 0.1770  508 HOH A O   
2762 O O   . HOH C .   ? 1.0156 0.4262 0.8552 0.3084  0.0633  0.0628  509 HOH A O   
2763 O O   . HOH C .   ? 1.0871 0.4526 0.6518 -0.1572 0.0657  0.0889  510 HOH A O   
2764 O O   . HOH C .   ? 0.3122 0.3185 0.2937 -0.0790 0.0409  -0.1047 511 HOH A O   
2765 O O   . HOH C .   ? 0.4415 0.5953 0.8323 0.0506  0.0569  -0.3830 512 HOH A O   
2766 O O   . HOH C .   ? 0.1353 0.2338 0.2489 -0.0262 0.0036  0.0703  513 HOH A O   
2767 O O   . HOH C .   ? 0.5141 0.6538 0.6032 0.1657  -0.0643 -0.2196 514 HOH A O   
2768 O O   . HOH C .   ? 0.1775 0.2191 0.2747 0.0033  0.1002  0.0061  515 HOH A O   
2769 O O   A HOH C .   ? 0.9653 0.6106 0.7679 0.1502  -0.2155 0.2193  516 HOH A O   
2770 O O   B HOH C .   ? 0.4020 0.4200 1.4261 0.0096  0.0437  0.2308  516 HOH A O   
2771 O O   . HOH C .   ? 0.4791 0.4662 0.4455 0.1982  0.0003  -0.1950 517 HOH A O   
2772 O O   . HOH C .   ? 1.0012 0.7924 0.6123 0.3845  -0.0425 0.0140  518 HOH A O   
2773 O O   . HOH C .   ? 0.3177 0.3419 0.1153 -0.1066 0.0181  -0.0337 519 HOH A O   
2774 O O   . HOH C .   ? 0.5112 0.7175 0.1928 -0.0603 -0.0007 -0.0631 520 HOH A O   
2775 O O   . HOH C .   ? 0.1598 0.2140 0.1841 -0.0283 -0.0547 0.0525  521 HOH A O   
2776 O O   . HOH C .   ? 0.4913 0.3812 0.4052 -0.0439 -0.1199 -0.0808 522 HOH A O   
2777 O O   . HOH C .   ? 0.1975 0.2508 0.2337 -0.0178 -0.0310 -0.0239 523 HOH A O   
2778 O O   . HOH C .   ? 0.5318 0.3993 0.3134 0.0301  -0.1195 -0.0661 524 HOH A O   
2779 O O   . HOH C .   ? 0.7365 0.4855 0.7048 0.0739  -0.1719 0.1488  525 HOH A O   
2780 O O   . HOH C .   ? 0.4507 0.2553 0.3182 0.1350  0.0256  0.0595  526 HOH A O   
2781 O O   . HOH C .   ? 1.7544 0.6729 1.6045 -0.2932 -0.3929 0.3148  527 HOH A O   
2782 O O   . HOH C .   ? 0.3567 0.8359 0.4570 0.2165  0.1281  0.2243  528 HOH A O   
2783 O O   . HOH C .   ? 0.5293 0.2335 0.2543 -0.0176 0.0647  0.0620  529 HOH A O   
2784 O O   . HOH C .   ? 0.4150 0.6107 0.4862 0.1324  0.1774  -0.0267 530 HOH A O   
2785 O O   . HOH C .   ? 0.4416 0.2247 0.2777 0.0673  -0.0478 0.0145  531 HOH A O   
2786 O O   . HOH C .   ? 0.2751 0.1823 0.2002 -0.0612 -0.0520 0.0148  532 HOH A O   
2787 O O   . HOH C .   ? 0.8960 0.2889 0.5584 -0.1048 0.0128  0.0632  533 HOH A O   
2788 O O   . HOH C .   ? 0.3784 0.2493 0.5056 -0.0661 0.1418  -0.1003 534 HOH A O   
2789 O O   . HOH C .   ? 0.4362 0.5083 0.6344 0.1839  0.0267  -0.0546 535 HOH A O   
2790 O O   . HOH C .   ? 0.6071 0.3018 0.5643 0.1479  0.1293  0.0714  536 HOH A O   
2791 O O   . HOH C .   ? 0.4972 0.4112 0.7516 0.0146  -0.1008 -0.0929 537 HOH A O   
2792 O O   . HOH C .   ? 0.6370 0.7968 0.4652 0.0546  -0.2123 -0.0666 538 HOH A O   
2793 O O   . HOH C .   ? 0.2766 0.2341 0.2596 -0.0013 0.0046  -0.0508 539 HOH A O   
2794 O O   . HOH C .   ? 0.5904 1.0616 0.3054 -0.1346 -0.0936 0.0637  540 HOH A O   
2795 O O   . HOH C .   ? 0.2489 0.2803 0.4166 -0.0808 0.0677  -0.0284 541 HOH A O   
2796 O O   . HOH C .   ? 0.5661 0.1826 0.1584 -0.0262 0.0393  -0.0236 542 HOH A O   
2797 O O   . HOH C .   ? 1.0348 0.9417 0.5324 0.0988  -0.1465 0.1062  543 HOH A O   
2798 O O   . HOH C .   ? 0.5372 0.3683 0.2722 -0.0555 0.1013  0.1354  544 HOH A O   
2799 O O   . HOH C .   ? 0.8317 0.9767 0.9080 -0.3600 -0.0336 -0.0212 545 HOH A O   
2800 O O   . HOH C .   ? 0.5662 0.5538 0.7799 0.1326  0.3114  0.0633  546 HOH A O   
2801 O O   . HOH C .   ? 0.3996 0.2261 0.1936 0.0588  0.0078  -0.0293 547 HOH A O   
2802 O O   . HOH C .   ? 0.5095 0.4175 0.5774 -0.0109 -0.0166 -0.2819 548 HOH A O   
2803 O O   . HOH C .   ? 0.1772 0.1177 0.0746 0.0076  -0.0254 -0.0070 549 HOH A O   
2804 O O   A HOH C .   ? 0.5094 0.2865 0.4130 0.0534  -0.2073 -0.1358 550 HOH A O   
2805 O O   B HOH C .   ? 0.6016 0.4518 0.4024 0.0641  -0.0475 -0.1980 550 HOH A O   
2806 O O   . HOH C .   ? 0.4951 0.3193 0.5564 -0.0741 0.2207  -0.1487 551 HOH A O   
2807 O O   . HOH C .   ? 0.8882 0.8606 0.2408 -0.0040 -0.0049 -0.1085 552 HOH A O   
2808 O O   . HOH C .   ? 0.7403 0.7791 0.4265 -0.0713 -0.0405 -0.0146 553 HOH A O   
2809 O O   . HOH C .   ? 0.4786 0.6232 0.3943 -0.1120 -0.0352 -0.1234 554 HOH A O   
2810 O O   . HOH C .   ? 0.6760 0.7200 0.2562 0.2978  -0.0479 -0.0177 555 HOH A O   
2811 O O   . HOH C .   ? 0.5666 0.2806 0.8364 0.0936  0.2541  0.0397  556 HOH A O   
2812 O O   . HOH C .   ? 0.4771 0.1953 0.3340 0.0737  -0.1083 -0.0996 557 HOH A O   
2813 O O   . HOH C .   ? 0.5546 0.3047 0.4303 -0.1668 -0.1047 0.1492  558 HOH A O   
2814 O O   A HOH C .   ? 0.7019 0.5401 0.3732 0.3594  -0.0468 -0.0615 559 HOH A O   
2815 O O   B HOH C .   ? 0.4561 0.3799 0.1295 0.0595  0.0159  -0.0375 559 HOH A O   
2816 O O   . HOH C .   ? 0.2074 0.5883 0.5735 0.0758  -0.0269 -0.0307 560 HOH A O   
2817 O O   . HOH C .   ? 0.4197 0.5382 0.2999 0.2534  -0.0983 -0.1613 561 HOH A O   
2818 O O   . HOH C .   ? 0.7240 0.3478 0.4348 -0.0649 -0.0138 -0.1393 562 HOH A O   
2819 O O   . HOH C .   ? 0.2244 0.1186 0.2947 0.0081  -0.0306 0.0311  563 HOH A O   
2820 O O   . HOH C .   ? 0.3565 0.5003 0.2893 -0.2026 -0.0249 -0.0316 564 HOH A O   
2821 O O   . HOH C .   ? 0.3430 0.4498 0.7290 -0.0201 0.1749  -0.1075 565 HOH A O   
2822 O O   . HOH C .   ? 0.4383 0.2962 0.3261 -0.0398 -0.0403 -0.0709 566 HOH A O   
2823 O O   A HOH C .   ? 0.2052 0.3222 0.2263 0.0059  -0.1086 -0.0583 567 HOH A O   
2824 O O   B HOH C .   ? 0.1950 0.3139 0.6252 0.0677  0.0529  0.0814  567 HOH A O   
2825 O O   . HOH C .   ? 0.4114 0.3776 0.2507 -0.2051 -0.0147 0.0648  568 HOH A O   
2826 O O   A HOH C .   ? 0.3189 0.3416 0.2821 0.0103  0.0365  -0.0737 569 HOH A O   
2827 O O   B HOH C .   ? 0.6175 0.6283 0.2341 -0.0413 -0.1578 0.0344  569 HOH A O   
2828 O O   . HOH C .   ? 0.3645 0.6253 0.6193 -0.1046 -0.0701 0.3636  570 HOH A O   
2829 O O   A HOH C .   ? 0.5367 0.3012 0.2803 0.0119  0.0925  -0.0368 571 HOH A O   
2830 O O   B HOH C .   ? 0.3784 0.3530 0.3612 0.0793  0.0527  -0.1772 571 HOH A O   
2831 O O   . HOH C .   ? 0.5596 0.2021 0.6900 -0.0850 -0.0082 0.0655  572 HOH A O   
2832 O O   . HOH C .   ? 0.3605 0.1960 0.3036 -0.0147 0.0114  0.0241  573 HOH A O   
2833 O O   . HOH C .   ? 1.1332 1.1516 1.2275 -0.1797 0.3677  -0.1373 574 HOH A O   
2834 O O   . HOH C .   ? 0.2186 0.1695 0.1774 -0.0017 -0.0329 0.0452  575 HOH A O   
2835 O O   . HOH C .   ? 1.1090 0.6524 0.7631 0.0677  0.1189  -0.2704 576 HOH A O   
2836 O O   . HOH C .   ? 0.6147 0.5992 0.5817 0.0631  -0.2420 0.2182  577 HOH A O   
2837 O O   . HOH C .   ? 0.6159 0.2432 0.5123 -0.0086 0.0095  0.0252  578 HOH A O   
2838 O O   . HOH C .   ? 0.7721 0.8772 0.4310 -0.3173 -0.0514 0.2450  579 HOH A O   
2839 O O   . HOH C .   ? 0.6564 0.5285 1.0137 0.1143  0.1957  0.0824  580 HOH A O   
2840 O O   . HOH C .   ? 0.5252 0.3714 0.5479 -0.0160 0.0611  -0.0890 581 HOH A O   
2841 O O   . HOH C .   ? 0.5679 0.7218 0.2326 0.2416  -0.0023 -0.0505 582 HOH A O   
2842 O O   . HOH C .   ? 0.2118 0.2006 0.4290 -0.0299 -0.0624 -0.0602 583 HOH A O   
2843 O O   . HOH C .   ? 0.7919 0.2782 0.8028 -0.1222 -0.1753 -0.0141 584 HOH A O   
2844 O O   . HOH C .   ? 0.5192 0.2059 0.5587 -0.0938 -0.0391 -0.0032 585 HOH A O   
2845 O O   . HOH C .   ? 0.8622 0.6379 0.3849 -0.0869 0.0167  0.0470  586 HOH A O   
2846 O O   . HOH C .   ? 0.8980 0.7940 0.5336 0.0986  -0.1416 -0.2579 587 HOH A O   
2847 O O   A HOH C .   ? 0.6898 0.6589 0.6127 0.1739  -0.2534 0.1175  588 HOH A O   
2848 O O   B HOH C .   ? 0.2017 0.4841 0.3749 -0.1250 -0.0775 0.0250  588 HOH A O   
2849 O O   . HOH C .   ? 0.7237 0.7882 0.2172 -0.1059 -0.0135 -0.0066 589 HOH A O   
2850 O O   . HOH C .   ? 0.7057 0.5029 0.9895 0.2038  0.3432  0.1457  590 HOH A O   
2851 O O   . HOH C .   ? 0.4096 0.4758 1.0405 -0.0389 0.1503  0.2608  591 HOH A O   
2852 O O   . HOH C .   ? 1.0247 0.4150 0.4198 0.0592  -0.2875 -0.0733 592 HOH A O   
2853 O O   A HOH C .   ? 0.6217 0.2129 0.2336 0.1163  -0.0342 -0.0444 593 HOH A O   
2854 O O   B HOH C .   ? 0.6230 0.3135 0.2406 -0.0946 -0.1549 -0.0061 593 HOH A O   
2855 O O   . HOH C .   ? 0.4553 0.4799 0.4472 0.0638  -0.0865 -0.0156 594 HOH A O   
2856 O O   . HOH C .   ? 1.0183 0.2926 0.5432 0.1251  -0.1141 0.0212  595 HOH A O   
2857 O O   . HOH C .   ? 0.3710 0.4966 0.3942 0.1103  -0.1746 -0.2018 596 HOH A O   
2858 O O   . HOH C .   ? 0.6798 0.6720 0.8272 -0.0535 0.1238  -0.1632 597 HOH A O   
2859 O O   . HOH C .   ? 0.4635 0.5777 0.3186 0.2057  -0.0008 -0.1385 598 HOH A O   
2860 O O   . HOH C .   ? 0.9495 0.4783 0.3195 0.2325  0.0549  0.1018  599 HOH A O   
2861 O O   . HOH C .   ? 0.8341 0.3420 0.4209 0.0846  0.0484  0.0206  600 HOH A O   
2862 O O   . HOH C .   ? 0.7708 0.8035 1.1000 -0.1111 0.1727  0.1078  601 HOH A O   
2863 O O   . HOH C .   ? 0.6099 0.4836 0.5975 -0.0178 0.1919  -0.0846 602 HOH A O   
2864 O O   . HOH C .   ? 0.9938 0.7632 0.4790 -0.0571 -0.0536 0.3051  603 HOH A O   
2865 O O   A HOH C .   ? 0.4359 0.3250 0.3929 -0.0107 -0.0335 -0.1173 604 HOH A O   
2866 O O   B HOH C .   ? 0.6272 0.2733 0.4060 0.1164  0.0247  -0.1305 604 HOH A O   
2867 O O   . HOH C .   ? 0.5455 0.6067 0.9600 0.2884  0.0357  0.0661  605 HOH A O   
2868 O O   . HOH C .   ? 0.4224 0.2233 0.7942 0.0000  -0.2097 -0.0188 606 HOH A O   
2869 O O   . HOH C .   ? 0.4053 0.9268 0.6638 0.1037  0.1166  -0.1490 607 HOH A O   
2870 O O   . HOH C .   ? 0.5293 0.6283 0.5458 -0.0220 0.0112  -0.2355 608 HOH A O   
2871 O O   . HOH C .   ? 1.3413 1.1132 0.4934 -0.0626 0.2558  0.2204  609 HOH A O   
2872 O O   . HOH D .   ? 0.8048 0.6789 0.8484 0.4201  -0.0335 0.1203  101 HOH B O   
2873 O O   . HOH D .   ? 0.6107 0.3414 0.2304 -0.1098 -0.0007 0.0930  102 HOH B O   
2874 O O   . HOH D .   ? 0.1624 0.1304 0.1032 -0.0272 0.0162  -0.0077 103 HOH B O   
2875 O O   . HOH D .   ? 0.2848 0.3099 0.3473 -0.0934 -0.1171 0.1038  104 HOH B O   
2876 O O   . HOH D .   ? 0.5864 0.3616 0.5648 -0.0355 -0.0581 -0.2492 105 HOH B O   
2877 O O   . HOH D .   ? 0.5491 0.1647 0.2129 0.0484  0.0396  0.0406  106 HOH B O   
2878 O O   A HOH D .   ? 0.2881 0.2059 0.3999 -0.0569 -0.1842 0.0250  107 HOH B O   
2879 O O   B HOH D .   ? 0.3247 0.1976 0.4672 -0.1132 0.0610  0.0270  107 HOH B O   
2880 O O   A HOH D .   ? 0.2292 0.2405 0.3970 0.0869  0.1429  0.0868  108 HOH B O   
2881 O O   B HOH D .   ? 0.3900 0.5271 0.6358 0.2162  -0.1541 0.0250  108 HOH B O   
2882 O O   C HOH D .   ? 0.2973 0.3479 0.2762 -0.0997 -0.0159 0.1623  108 HOH B O   
2883 O O   . HOH D .   ? 0.3305 0.2235 0.2362 0.0857  -0.0893 -0.0304 109 HOH B O   
2884 O O   . HOH D .   ? 0.6670 0.6541 0.3445 -0.3440 0.1161  -0.0770 110 HOH B O   
2885 O O   . HOH D .   ? 0.2149 0.2071 0.1177 -0.0413 0.0540  -0.0373 111 HOH B O   
2886 O O   . HOH D .   ? 0.2437 0.1392 0.1764 0.0063  0.0241  0.0318  112 HOH B O   
2887 O O   . HOH D .   ? 0.4388 0.4708 0.2923 -0.0032 -0.0356 -0.0841 113 HOH B O   
2888 O O   . HOH D .   ? 0.1913 0.2340 0.1180 0.0017  0.0196  0.0089  114 HOH B O   
2889 O O   . HOH D .   ? 0.3398 0.3546 0.3444 0.0102  -0.1013 -0.0841 115 HOH B O   
2890 O O   . HOH D .   ? 0.3782 0.3937 0.3914 0.0857  -0.1995 -0.1544 116 HOH B O   
2891 O O   . HOH D .   ? 0.8022 0.6148 0.8048 -0.0637 0.0160  0.2461  117 HOH B O   
2892 O O   . HOH D .   ? 0.7625 0.4614 0.8947 0.1170  0.0624  0.1318  118 HOH B O   
2893 O O   . HOH D .   ? 0.2616 0.2578 0.2617 -0.0495 -0.0341 0.0865  119 HOH B O   
2894 O O   A HOH D .   ? 0.4492 0.8395 0.5618 -0.1700 0.0180  -0.0837 120 HOH B O   
2895 O O   B HOH D .   ? 0.3646 0.2409 0.3362 -0.0280 -0.2026 0.0583  120 HOH B O   
2896 O O   . HOH D .   ? 0.3726 0.1845 0.1726 -0.0702 0.0408  0.0115  121 HOH B O   
2897 O O   . HOH D .   ? 0.3391 0.2298 0.7747 -0.0382 -0.0994 -0.0692 122 HOH B O   
2898 O O   . HOH D .   ? 0.5038 0.8143 0.7524 -0.0581 0.1389  0.3903  123 HOH B O   
2899 O O   . HOH D .   ? 0.2715 0.2863 0.1236 0.1167  0.0034  -0.0144 124 HOH B O   
2900 O O   A HOH D .   ? 0.4244 0.2055 0.2779 0.0961  0.0781  0.0351  125 HOH B O   
2901 O O   B HOH D .   ? 0.4278 0.2778 0.2540 0.1240  -0.0826 -0.0626 125 HOH B O   
2902 O O   . HOH D .   ? 0.3815 0.1993 0.2292 0.0342  0.0973  0.0569  126 HOH B O   
2903 O O   . HOH D .   ? 1.2310 0.4329 0.6520 -0.1119 -0.4158 0.1191  127 HOH B O   
2904 O O   . HOH D .   ? 0.4264 0.3058 0.3556 0.0239  0.1397  -0.1233 128 HOH B O   
2905 O O   . HOH D .   ? 0.9988 0.2906 0.8586 -0.0333 0.1531  -0.0916 129 HOH B O   
#