data_9GPQ
# 
_entry.id   9GPQ 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9GPQ         pdb_00009gpq 10.2210/pdb9gpq/pdb 
WWPDB D_1292141144 ?            ?                   
# 
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 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-01-15 ? 
2 'Structure model' 1 1 2025-03-12 ? 
3 'Structure model' 1 2 2025-03-19 ? 
# 
_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' 'Database references' 
# 
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' citation        
4 3 'Structure model' citation_author 
# 
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_author.name'             
5 3 'Structure model' '_citation.page_first'              
6 3 'Structure model' '_citation.page_last'               
7 3 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9GPQ 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-09 
_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.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              felix.hausch@tu-darmstadt.de 
_pdbx_contact_author.name_first         Felix 
_pdbx_contact_author.name_last          Hausch 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-3710-8838 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Meyners, C.' 1 ? 
'Buffa, V.'   2 ? 
'Walz, C.'    3 ? 
'Hausch, F.'  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            64 
_citation.language                  ? 
_citation.page_first                e202418512 
_citation.page_last                 e202418512 
_citation.title                     
'Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/anie.202418512 
_citation.pdbx_database_id_PubMed   39749563 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Buffa, V.'        1  ?                   
primary 'Walz, C.'         2  ?                   
primary 'Meyners, C.'      3  ?                   
primary 'Zheng, M.'        4  ?                   
primary 'Oki Sugiarto, W.' 5  ?                   
primary 'Repity, M.'       6  ?                   
primary 'Achaq, H.'        7  ?                   
primary 'Brudy, C.'        8  ?                   
primary 'Spiske, M.'       9  ?                   
primary 'Cica, M.'         10 ?                   
primary 'Hausch, F.'       11 0000-0002-3710-8838 
# 
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 'Peptidyl-prolyl cis-trans isomerase FKBP5' 14004.026 2   5.2.1.8 'A19T, C103A, C107I' ? ? 
2 non-polymer syn 
;3-cyclohexyl-19,20-dimethoxy-17-methyl-11,18-dioxa-1,17lambda5-diphospha-19lambda5-stannapentacyclo[17.3.1.04,9.04,13.015,20]tricosane-2,10-quinone
;
582.731   2   ?       ?                    ? ? 
3 water       nat water 18.015    226 ?       ?                    ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;PPIase FKBP5,51 kDa FK506-binding protein,FKBP-51,54 kDa progesterone receptor-associated immunophilin,Androgen-regulated protein 6,FF1 antigen,FK506-binding protein 5,FKBP-5,FKBP54,p54,HSP90-binding immunophilin,Rotamase
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDI
GVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDI
GVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_entity_poly.pdbx_strand_id                 B,A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 
;3-cyclohexyl-19,20-dimethoxy-17-methyl-11,18-dioxa-1,17lambda5-diphospha-19lambda5-stannapentacyclo[17.3.1.04,9.04,13.015,20]tricosane-2,10-quinone
;
A1INQ 
3 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   ALA n 
1 3   PRO n 
1 4   ALA n 
1 5   THR n 
1 6   VAL n 
1 7   THR n 
1 8   GLU n 
1 9   GLN n 
1 10  GLY n 
1 11  GLU n 
1 12  ASP n 
1 13  ILE n 
1 14  THR n 
1 15  SER n 
1 16  LYS n 
1 17  LYS n 
1 18  ASP n 
1 19  ARG n 
1 20  GLY n 
1 21  VAL n 
1 22  LEU n 
1 23  LYS n 
1 24  ILE n 
1 25  VAL n 
1 26  LYS n 
1 27  ARG n 
1 28  VAL n 
1 29  GLY n 
1 30  ASN n 
1 31  GLY n 
1 32  GLU n 
1 33  GLU n 
1 34  THR n 
1 35  PRO n 
1 36  MET n 
1 37  ILE n 
1 38  GLY n 
1 39  ASP n 
1 40  LYS n 
1 41  VAL n 
1 42  TYR n 
1 43  VAL n 
1 44  HIS n 
1 45  TYR n 
1 46  LYS n 
1 47  GLY n 
1 48  LYS n 
1 49  LEU n 
1 50  SER n 
1 51  ASN n 
1 52  GLY n 
1 53  LYS n 
1 54  LYS n 
1 55  PHE n 
1 56  ASP n 
1 57  SER n 
1 58  SER n 
1 59  HIS n 
1 60  ASP n 
1 61  ARG n 
1 62  ASN n 
1 63  GLU n 
1 64  PRO n 
1 65  PHE n 
1 66  VAL n 
1 67  PHE n 
1 68  SER n 
1 69  LEU n 
1 70  GLY n 
1 71  LYS n 
1 72  GLY n 
1 73  GLN n 
1 74  VAL n 
1 75  ILE n 
1 76  LYS n 
1 77  ALA n 
1 78  TRP n 
1 79  ASP n 
1 80  ILE n 
1 81  GLY n 
1 82  VAL n 
1 83  ALA n 
1 84  THR n 
1 85  MET n 
1 86  LYS n 
1 87  LYS n 
1 88  GLY n 
1 89  GLU n 
1 90  ILE n 
1 91  ALA n 
1 92  HIS n 
1 93  LEU n 
1 94  LEU n 
1 95  ILE n 
1 96  LYS n 
1 97  PRO n 
1 98  GLU n 
1 99  TYR n 
1 100 ALA n 
1 101 TYR n 
1 102 GLY n 
1 103 SER n 
1 104 ALA n 
1 105 GLY n 
1 106 SER n 
1 107 LEU n 
1 108 PRO n 
1 109 LYS n 
1 110 ILE n 
1 111 PRO n 
1 112 SER n 
1 113 ASN n 
1 114 ALA n 
1 115 THR n 
1 116 LEU n 
1 117 PHE n 
1 118 PHE n 
1 119 GLU n 
1 120 ILE n 
1 121 GLU n 
1 122 LEU n 
1 123 LEU n 
1 124 ASP n 
1 125 PHE n 
1 126 LYS n 
1 127 GLY n 
1 128 GLU 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                   128 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'FKBP5, AIG6, FKBP51' 
_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 'BL21-Gold(DE3)pLysS AG'
;
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     866768 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1INQ non-polymer         . 
;3-cyclohexyl-19,20-dimethoxy-17-methyl-11,18-dioxa-1,17lambda5-diphospha-19lambda5-stannapentacyclo[17.3.1.04,9.04,13.015,20]tricosane-2,10-quinone
;
? 'C32 H46 N4 O6'  582.731 
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 
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 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'     105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'     119.119 
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   GLY 1   13  13  GLY GLY B . n 
A 1 2   ALA 2   14  14  ALA ALA B . n 
A 1 3   PRO 3   15  15  PRO PRO B . n 
A 1 4   ALA 4   16  16  ALA ALA B . n 
A 1 5   THR 5   17  17  THR THR B . n 
A 1 6   VAL 6   18  18  VAL VAL B . n 
A 1 7   THR 7   19  19  THR THR B . n 
A 1 8   GLU 8   20  20  GLU GLU B . n 
A 1 9   GLN 9   21  21  GLN GLN B . n 
A 1 10  GLY 10  22  22  GLY GLY B . n 
A 1 11  GLU 11  23  23  GLU GLU B . n 
A 1 12  ASP 12  24  24  ASP ASP B . n 
A 1 13  ILE 13  25  25  ILE ILE B . n 
A 1 14  THR 14  26  26  THR THR B . n 
A 1 15  SER 15  27  27  SER SER B . n 
A 1 16  LYS 16  28  28  LYS LYS B . n 
A 1 17  LYS 17  29  29  LYS LYS B . n 
A 1 18  ASP 18  30  30  ASP ASP B . n 
A 1 19  ARG 19  31  31  ARG ARG B . n 
A 1 20  GLY 20  32  32  GLY GLY B . n 
A 1 21  VAL 21  33  33  VAL VAL B . n 
A 1 22  LEU 22  34  34  LEU LEU B . n 
A 1 23  LYS 23  35  35  LYS LYS B . n 
A 1 24  ILE 24  36  36  ILE ILE B . n 
A 1 25  VAL 25  37  37  VAL VAL B . n 
A 1 26  LYS 26  38  38  LYS LYS B . n 
A 1 27  ARG 27  39  39  ARG ARG B . n 
A 1 28  VAL 28  40  40  VAL VAL B . n 
A 1 29  GLY 29  41  41  GLY GLY B . n 
A 1 30  ASN 30  42  42  ASN ASN B . n 
A 1 31  GLY 31  43  43  GLY GLY B . n 
A 1 32  GLU 32  44  44  GLU GLU B . n 
A 1 33  GLU 33  45  45  GLU GLU B . n 
A 1 34  THR 34  46  46  THR THR B . n 
A 1 35  PRO 35  47  47  PRO PRO B . n 
A 1 36  MET 36  48  48  MET MET B . n 
A 1 37  ILE 37  49  49  ILE ILE B . n 
A 1 38  GLY 38  50  50  GLY GLY B . n 
A 1 39  ASP 39  51  51  ASP ASP B . n 
A 1 40  LYS 40  52  52  LYS LYS B . n 
A 1 41  VAL 41  53  53  VAL VAL B . n 
A 1 42  TYR 42  54  54  TYR TYR B . n 
A 1 43  VAL 43  55  55  VAL VAL B . n 
A 1 44  HIS 44  56  56  HIS HIS B . n 
A 1 45  TYR 45  57  57  TYR TYR B . n 
A 1 46  LYS 46  58  58  LYS LYS B . n 
A 1 47  GLY 47  59  59  GLY GLY B . n 
A 1 48  LYS 48  60  60  LYS LYS B . n 
A 1 49  LEU 49  61  61  LEU LEU B . n 
A 1 50  SER 50  62  62  SER SER B . n 
A 1 51  ASN 51  63  63  ASN ASN B . n 
A 1 52  GLY 52  64  64  GLY GLY B . n 
A 1 53  LYS 53  65  65  LYS LYS B . n 
A 1 54  LYS 54  66  66  LYS LYS B . n 
A 1 55  PHE 55  67  67  PHE PHE B . n 
A 1 56  ASP 56  68  68  ASP ASP B . n 
A 1 57  SER 57  69  69  SER SER B . n 
A 1 58  SER 58  70  70  SER SER B . n 
A 1 59  HIS 59  71  71  HIS HIS B . n 
A 1 60  ASP 60  72  72  ASP ASP B . n 
A 1 61  ARG 61  73  73  ARG ARG B . n 
A 1 62  ASN 62  74  74  ASN ASN B . n 
A 1 63  GLU 63  75  75  GLU GLU B . n 
A 1 64  PRO 64  76  76  PRO PRO B . n 
A 1 65  PHE 65  77  77  PHE PHE B . n 
A 1 66  VAL 66  78  78  VAL VAL B . n 
A 1 67  PHE 67  79  79  PHE PHE B . n 
A 1 68  SER 68  80  80  SER SER B . n 
A 1 69  LEU 69  81  81  LEU LEU B . n 
A 1 70  GLY 70  82  82  GLY GLY B . n 
A 1 71  LYS 71  83  83  LYS LYS B . n 
A 1 72  GLY 72  84  84  GLY GLY B . n 
A 1 73  GLN 73  85  85  GLN GLN B . n 
A 1 74  VAL 74  86  86  VAL VAL B . n 
A 1 75  ILE 75  87  87  ILE ILE B . n 
A 1 76  LYS 76  88  88  LYS LYS B . n 
A 1 77  ALA 77  89  89  ALA ALA B . n 
A 1 78  TRP 78  90  90  TRP TRP B . n 
A 1 79  ASP 79  91  91  ASP ASP B . n 
A 1 80  ILE 80  92  92  ILE ILE B . n 
A 1 81  GLY 81  93  93  GLY GLY B . n 
A 1 82  VAL 82  94  94  VAL VAL B . n 
A 1 83  ALA 83  95  95  ALA ALA B . n 
A 1 84  THR 84  96  96  THR THR B . n 
A 1 85  MET 85  97  97  MET MET B . n 
A 1 86  LYS 86  98  98  LYS LYS B . n 
A 1 87  LYS 87  99  99  LYS LYS B . n 
A 1 88  GLY 88  100 100 GLY GLY B . n 
A 1 89  GLU 89  101 101 GLU GLU B . n 
A 1 90  ILE 90  102 102 ILE ILE B . n 
A 1 91  ALA 91  103 103 ALA ALA B . n 
A 1 92  HIS 92  104 104 HIS HIS B . n 
A 1 93  LEU 93  105 105 LEU LEU B . n 
A 1 94  LEU 94  106 106 LEU LEU B . n 
A 1 95  ILE 95  107 107 ILE ILE B . n 
A 1 96  LYS 96  108 108 LYS LYS B . n 
A 1 97  PRO 97  109 109 PRO PRO B . n 
A 1 98  GLU 98  110 110 GLU GLU B . n 
A 1 99  TYR 99  111 111 TYR TYR B . n 
A 1 100 ALA 100 112 112 ALA ALA B . n 
A 1 101 TYR 101 113 113 TYR TYR B . n 
A 1 102 GLY 102 114 114 GLY GLY B . n 
A 1 103 SER 103 115 115 SER SER B . n 
A 1 104 ALA 104 116 116 ALA ALA B . n 
A 1 105 GLY 105 117 117 GLY GLY B . n 
A 1 106 SER 106 118 118 SER SER B . n 
A 1 107 LEU 107 119 119 LEU LEU B . n 
A 1 108 PRO 108 120 120 PRO PRO B . n 
A 1 109 LYS 109 121 121 LYS LYS B . n 
A 1 110 ILE 110 122 122 ILE ILE B . n 
A 1 111 PRO 111 123 123 PRO PRO B . n 
A 1 112 SER 112 124 124 SER SER B . n 
A 1 113 ASN 113 125 125 ASN ASN B . n 
A 1 114 ALA 114 126 126 ALA ALA B . n 
A 1 115 THR 115 127 127 THR THR B . n 
A 1 116 LEU 116 128 128 LEU LEU B . n 
A 1 117 PHE 117 129 129 PHE PHE B . n 
A 1 118 PHE 118 130 130 PHE PHE B . n 
A 1 119 GLU 119 131 131 GLU GLU B . n 
A 1 120 ILE 120 132 132 ILE ILE B . n 
A 1 121 GLU 121 133 133 GLU GLU B . n 
A 1 122 LEU 122 134 134 LEU LEU B . n 
A 1 123 LEU 123 135 135 LEU LEU B . n 
A 1 124 ASP 124 136 136 ASP ASP B . n 
A 1 125 PHE 125 137 137 PHE PHE B . n 
A 1 126 LYS 126 138 138 LYS LYS B . n 
A 1 127 GLY 127 139 139 GLY GLY B . n 
A 1 128 GLU 128 140 140 GLU GLU B . n 
B 1 1   GLY 1   13  13  GLY GLY A . n 
B 1 2   ALA 2   14  14  ALA ALA A . n 
B 1 3   PRO 3   15  15  PRO PRO A . n 
B 1 4   ALA 4   16  16  ALA ALA A . n 
B 1 5   THR 5   17  17  THR THR A . n 
B 1 6   VAL 6   18  18  VAL VAL A . n 
B 1 7   THR 7   19  19  THR THR A . n 
B 1 8   GLU 8   20  20  GLU GLU A . n 
B 1 9   GLN 9   21  21  GLN GLN A . n 
B 1 10  GLY 10  22  22  GLY GLY A . n 
B 1 11  GLU 11  23  23  GLU GLU A . n 
B 1 12  ASP 12  24  24  ASP ASP A . n 
B 1 13  ILE 13  25  25  ILE ILE A . n 
B 1 14  THR 14  26  26  THR THR A . n 
B 1 15  SER 15  27  27  SER SER A . n 
B 1 16  LYS 16  28  28  LYS LYS A . n 
B 1 17  LYS 17  29  29  LYS LYS A . n 
B 1 18  ASP 18  30  30  ASP ASP A . n 
B 1 19  ARG 19  31  31  ARG ARG A . n 
B 1 20  GLY 20  32  32  GLY GLY A . n 
B 1 21  VAL 21  33  33  VAL VAL A . n 
B 1 22  LEU 22  34  34  LEU LEU A . n 
B 1 23  LYS 23  35  35  LYS LYS A . n 
B 1 24  ILE 24  36  36  ILE ILE A . n 
B 1 25  VAL 25  37  37  VAL VAL A . n 
B 1 26  LYS 26  38  38  LYS LYS A . n 
B 1 27  ARG 27  39  39  ARG ARG A . n 
B 1 28  VAL 28  40  40  VAL VAL A . n 
B 1 29  GLY 29  41  41  GLY GLY A . n 
B 1 30  ASN 30  42  42  ASN ASN A . n 
B 1 31  GLY 31  43  43  GLY GLY A . n 
B 1 32  GLU 32  44  44  GLU GLU A . n 
B 1 33  GLU 33  45  45  GLU GLU A . n 
B 1 34  THR 34  46  46  THR THR A . n 
B 1 35  PRO 35  47  47  PRO PRO A . n 
B 1 36  MET 36  48  48  MET MET A . n 
B 1 37  ILE 37  49  49  ILE ILE A . n 
B 1 38  GLY 38  50  50  GLY GLY A . n 
B 1 39  ASP 39  51  51  ASP ASP A . n 
B 1 40  LYS 40  52  52  LYS LYS A . n 
B 1 41  VAL 41  53  53  VAL VAL A . n 
B 1 42  TYR 42  54  54  TYR TYR A . n 
B 1 43  VAL 43  55  55  VAL VAL A . n 
B 1 44  HIS 44  56  56  HIS HIS A . n 
B 1 45  TYR 45  57  57  TYR TYR A . n 
B 1 46  LYS 46  58  58  LYS LYS A . n 
B 1 47  GLY 47  59  59  GLY GLY A . n 
B 1 48  LYS 48  60  60  LYS LYS A . n 
B 1 49  LEU 49  61  61  LEU LEU A . n 
B 1 50  SER 50  62  62  SER SER A . n 
B 1 51  ASN 51  63  63  ASN ASN A . n 
B 1 52  GLY 52  64  64  GLY GLY A . n 
B 1 53  LYS 53  65  65  LYS LYS A . n 
B 1 54  LYS 54  66  66  LYS LYS A . n 
B 1 55  PHE 55  67  67  PHE PHE A . n 
B 1 56  ASP 56  68  68  ASP ASP A . n 
B 1 57  SER 57  69  69  SER SER A . n 
B 1 58  SER 58  70  70  SER SER A . n 
B 1 59  HIS 59  71  71  HIS HIS A . n 
B 1 60  ASP 60  72  72  ASP ASP A . n 
B 1 61  ARG 61  73  73  ARG ARG A . n 
B 1 62  ASN 62  74  74  ASN ASN A . n 
B 1 63  GLU 63  75  75  GLU GLU A . n 
B 1 64  PRO 64  76  76  PRO PRO A . n 
B 1 65  PHE 65  77  77  PHE PHE A . n 
B 1 66  VAL 66  78  78  VAL VAL A . n 
B 1 67  PHE 67  79  79  PHE PHE A . n 
B 1 68  SER 68  80  80  SER SER A . n 
B 1 69  LEU 69  81  81  LEU LEU A . n 
B 1 70  GLY 70  82  82  GLY GLY A . n 
B 1 71  LYS 71  83  83  LYS LYS A . n 
B 1 72  GLY 72  84  84  GLY GLY A . n 
B 1 73  GLN 73  85  85  GLN GLN A . n 
B 1 74  VAL 74  86  86  VAL VAL A . n 
B 1 75  ILE 75  87  87  ILE ILE A . n 
B 1 76  LYS 76  88  88  LYS LYS A . n 
B 1 77  ALA 77  89  89  ALA ALA A . n 
B 1 78  TRP 78  90  90  TRP TRP A . n 
B 1 79  ASP 79  91  91  ASP ASP A . n 
B 1 80  ILE 80  92  92  ILE ILE A . n 
B 1 81  GLY 81  93  93  GLY GLY A . n 
B 1 82  VAL 82  94  94  VAL VAL A . n 
B 1 83  ALA 83  95  95  ALA ALA A . n 
B 1 84  THR 84  96  96  THR THR A . n 
B 1 85  MET 85  97  97  MET MET A . n 
B 1 86  LYS 86  98  98  LYS LYS A . n 
B 1 87  LYS 87  99  99  LYS LYS A . n 
B 1 88  GLY 88  100 100 GLY GLY A . n 
B 1 89  GLU 89  101 101 GLU GLU A . n 
B 1 90  ILE 90  102 102 ILE ILE A . n 
B 1 91  ALA 91  103 103 ALA ALA A . n 
B 1 92  HIS 92  104 104 HIS HIS A . n 
B 1 93  LEU 93  105 105 LEU LEU A . n 
B 1 94  LEU 94  106 106 LEU LEU A . n 
B 1 95  ILE 95  107 107 ILE ILE A . n 
B 1 96  LYS 96  108 108 LYS LYS A . n 
B 1 97  PRO 97  109 109 PRO PRO A . n 
B 1 98  GLU 98  110 110 GLU GLU A . n 
B 1 99  TYR 99  111 111 TYR TYR A . n 
B 1 100 ALA 100 112 112 ALA ALA A . n 
B 1 101 TYR 101 113 113 TYR TYR A . n 
B 1 102 GLY 102 114 114 GLY GLY A . n 
B 1 103 SER 103 115 115 SER SER A . n 
B 1 104 ALA 104 116 116 ALA ALA A . n 
B 1 105 GLY 105 117 117 GLY GLY A . n 
B 1 106 SER 106 118 118 SER SER A . n 
B 1 107 LEU 107 119 119 LEU LEU A . n 
B 1 108 PRO 108 120 120 PRO PRO A . n 
B 1 109 LYS 109 121 121 LYS LYS A . n 
B 1 110 ILE 110 122 122 ILE ILE A . n 
B 1 111 PRO 111 123 123 PRO PRO A . n 
B 1 112 SER 112 124 124 SER SER A . n 
B 1 113 ASN 113 125 125 ASN ASN A . n 
B 1 114 ALA 114 126 126 ALA ALA A . n 
B 1 115 THR 115 127 127 THR THR A . n 
B 1 116 LEU 116 128 128 LEU LEU A . n 
B 1 117 PHE 117 129 129 PHE PHE A . n 
B 1 118 PHE 118 130 130 PHE PHE A . n 
B 1 119 GLU 119 131 131 GLU GLU A . n 
B 1 120 ILE 120 132 132 ILE ILE A . n 
B 1 121 GLU 121 133 133 GLU GLU A . n 
B 1 122 LEU 122 134 134 LEU LEU A . n 
B 1 123 LEU 123 135 135 LEU LEU A . n 
B 1 124 ASP 124 136 136 ASP ASP A . n 
B 1 125 PHE 125 137 137 PHE PHE A . n 
B 1 126 LYS 126 138 138 LYS LYS A . n 
B 1 127 GLY 127 139 139 GLY GLY A . n 
B 1 128 GLU 128 140 140 GLU GLU A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1INQ 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1INQ 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 2 A1INQ 1   201 201 A1INQ DRG B . 
D 2 A1INQ 1   201 201 A1INQ DRG A . 
E 3 HOH   1   301 121 HOH   HOH B . 
E 3 HOH   2   302 124 HOH   HOH B . 
E 3 HOH   3   303 70  HOH   HOH B . 
E 3 HOH   4   304 195 HOH   HOH B . 
E 3 HOH   5   305 159 HOH   HOH B . 
E 3 HOH   6   306 68  HOH   HOH B . 
E 3 HOH   7   307 222 HOH   HOH B . 
E 3 HOH   8   308 231 HOH   HOH B . 
E 3 HOH   9   309 168 HOH   HOH B . 
E 3 HOH   10  310 110 HOH   HOH B . 
E 3 HOH   11  311 156 HOH   HOH B . 
E 3 HOH   12  312 191 HOH   HOH B . 
E 3 HOH   13  313 51  HOH   HOH B . 
E 3 HOH   14  314 219 HOH   HOH B . 
E 3 HOH   15  315 122 HOH   HOH B . 
E 3 HOH   16  316 99  HOH   HOH B . 
E 3 HOH   17  317 172 HOH   HOH B . 
E 3 HOH   18  318 17  HOH   HOH B . 
E 3 HOH   19  319 24  HOH   HOH B . 
E 3 HOH   20  320 93  HOH   HOH B . 
E 3 HOH   21  321 128 HOH   HOH B . 
E 3 HOH   22  322 155 HOH   HOH B . 
E 3 HOH   23  323 94  HOH   HOH B . 
E 3 HOH   24  324 11  HOH   HOH B . 
E 3 HOH   25  325 129 HOH   HOH B . 
E 3 HOH   26  326 4   HOH   HOH B . 
E 3 HOH   27  327 78  HOH   HOH B . 
E 3 HOH   28  328 7   HOH   HOH B . 
E 3 HOH   29  329 149 HOH   HOH B . 
E 3 HOH   30  330 223 HOH   HOH B . 
E 3 HOH   31  331 176 HOH   HOH B . 
E 3 HOH   32  332 136 HOH   HOH B . 
E 3 HOH   33  333 31  HOH   HOH B . 
E 3 HOH   34  334 71  HOH   HOH B . 
E 3 HOH   35  335 83  HOH   HOH B . 
E 3 HOH   36  336 55  HOH   HOH B . 
E 3 HOH   37  337 65  HOH   HOH B . 
E 3 HOH   38  338 21  HOH   HOH B . 
E 3 HOH   39  339 48  HOH   HOH B . 
E 3 HOH   40  340 105 HOH   HOH B . 
E 3 HOH   41  341 30  HOH   HOH B . 
E 3 HOH   42  342 12  HOH   HOH B . 
E 3 HOH   43  343 67  HOH   HOH B . 
E 3 HOH   44  344 189 HOH   HOH B . 
E 3 HOH   45  345 154 HOH   HOH B . 
E 3 HOH   46  346 32  HOH   HOH B . 
E 3 HOH   47  347 115 HOH   HOH B . 
E 3 HOH   48  348 42  HOH   HOH B . 
E 3 HOH   49  349 43  HOH   HOH B . 
E 3 HOH   50  350 104 HOH   HOH B . 
E 3 HOH   51  351 64  HOH   HOH B . 
E 3 HOH   52  352 23  HOH   HOH B . 
E 3 HOH   53  353 95  HOH   HOH B . 
E 3 HOH   54  354 9   HOH   HOH B . 
E 3 HOH   55  355 34  HOH   HOH B . 
E 3 HOH   56  356 166 HOH   HOH B . 
E 3 HOH   57  357 101 HOH   HOH B . 
E 3 HOH   58  358 126 HOH   HOH B . 
E 3 HOH   59  359 27  HOH   HOH B . 
E 3 HOH   60  360 85  HOH   HOH B . 
E 3 HOH   61  361 10  HOH   HOH B . 
E 3 HOH   62  362 33  HOH   HOH B . 
E 3 HOH   63  363 62  HOH   HOH B . 
E 3 HOH   64  364 44  HOH   HOH B . 
E 3 HOH   65  365 40  HOH   HOH B . 
E 3 HOH   66  366 16  HOH   HOH B . 
E 3 HOH   67  367 177 HOH   HOH B . 
E 3 HOH   68  368 74  HOH   HOH B . 
E 3 HOH   69  369 161 HOH   HOH B . 
E 3 HOH   70  370 35  HOH   HOH B . 
E 3 HOH   71  371 63  HOH   HOH B . 
E 3 HOH   72  372 69  HOH   HOH B . 
E 3 HOH   73  373 147 HOH   HOH B . 
E 3 HOH   74  374 217 HOH   HOH B . 
E 3 HOH   75  375 5   HOH   HOH B . 
E 3 HOH   76  376 72  HOH   HOH B . 
E 3 HOH   77  377 151 HOH   HOH B . 
E 3 HOH   78  378 202 HOH   HOH B . 
E 3 HOH   79  379 29  HOH   HOH B . 
E 3 HOH   80  380 142 HOH   HOH B . 
E 3 HOH   81  381 184 HOH   HOH B . 
E 3 HOH   82  382 109 HOH   HOH B . 
E 3 HOH   83  383 215 HOH   HOH B . 
E 3 HOH   84  384 169 HOH   HOH B . 
E 3 HOH   85  385 186 HOH   HOH B . 
E 3 HOH   86  386 106 HOH   HOH B . 
E 3 HOH   87  387 90  HOH   HOH B . 
E 3 HOH   88  388 193 HOH   HOH B . 
E 3 HOH   89  389 226 HOH   HOH B . 
E 3 HOH   90  390 201 HOH   HOH B . 
E 3 HOH   91  391 153 HOH   HOH B . 
E 3 HOH   92  392 216 HOH   HOH B . 
E 3 HOH   93  393 179 HOH   HOH B . 
E 3 HOH   94  394 81  HOH   HOH B . 
E 3 HOH   95  395 163 HOH   HOH B . 
E 3 HOH   96  396 213 HOH   HOH B . 
E 3 HOH   97  397 102 HOH   HOH B . 
E 3 HOH   98  398 135 HOH   HOH B . 
E 3 HOH   99  399 204 HOH   HOH B . 
E 3 HOH   100 400 139 HOH   HOH B . 
E 3 HOH   101 401 212 HOH   HOH B . 
E 3 HOH   102 402 207 HOH   HOH B . 
E 3 HOH   103 403 194 HOH   HOH B . 
E 3 HOH   104 404 185 HOH   HOH B . 
E 3 HOH   105 405 97  HOH   HOH B . 
E 3 HOH   106 406 183 HOH   HOH B . 
E 3 HOH   107 407 190 HOH   HOH B . 
E 3 HOH   108 408 58  HOH   HOH B . 
E 3 HOH   109 409 150 HOH   HOH B . 
E 3 HOH   110 410 160 HOH   HOH B . 
E 3 HOH   111 411 171 HOH   HOH B . 
E 3 HOH   112 412 138 HOH   HOH B . 
E 3 HOH   113 413 229 HOH   HOH B . 
E 3 HOH   114 414 211 HOH   HOH B . 
E 3 HOH   115 415 230 HOH   HOH B . 
E 3 HOH   116 416 111 HOH   HOH B . 
E 3 HOH   117 417 175 HOH   HOH B . 
E 3 HOH   118 418 144 HOH   HOH B . 
E 3 HOH   119 419 47  HOH   HOH B . 
E 3 HOH   120 420 206 HOH   HOH B . 
E 3 HOH   121 421 120 HOH   HOH B . 
E 3 HOH   122 422 158 HOH   HOH B . 
E 3 HOH   123 423 205 HOH   HOH B . 
E 3 HOH   124 424 228 HOH   HOH B . 
F 3 HOH   1   301 36  HOH   HOH A . 
F 3 HOH   2   302 52  HOH   HOH A . 
F 3 HOH   3   303 108 HOH   HOH A . 
F 3 HOH   4   304 140 HOH   HOH A . 
F 3 HOH   5   305 75  HOH   HOH A . 
F 3 HOH   6   306 152 HOH   HOH A . 
F 3 HOH   7   307 2   HOH   HOH A . 
F 3 HOH   8   308 208 HOH   HOH A . 
F 3 HOH   9   309 100 HOH   HOH A . 
F 3 HOH   10  310 88  HOH   HOH A . 
F 3 HOH   11  311 146 HOH   HOH A . 
F 3 HOH   12  312 53  HOH   HOH A . 
F 3 HOH   13  313 196 HOH   HOH A . 
F 3 HOH   14  314 77  HOH   HOH A . 
F 3 HOH   15  315 112 HOH   HOH A . 
F 3 HOH   16  316 127 HOH   HOH A . 
F 3 HOH   17  317 28  HOH   HOH A . 
F 3 HOH   18  318 49  HOH   HOH A . 
F 3 HOH   19  319 210 HOH   HOH A . 
F 3 HOH   20  320 15  HOH   HOH A . 
F 3 HOH   21  321 56  HOH   HOH A . 
F 3 HOH   22  322 37  HOH   HOH A . 
F 3 HOH   23  323 170 HOH   HOH A . 
F 3 HOH   24  324 137 HOH   HOH A . 
F 3 HOH   25  325 133 HOH   HOH A . 
F 3 HOH   26  326 118 HOH   HOH A . 
F 3 HOH   27  327 73  HOH   HOH A . 
F 3 HOH   28  328 89  HOH   HOH A . 
F 3 HOH   29  329 18  HOH   HOH A . 
F 3 HOH   30  330 92  HOH   HOH A . 
F 3 HOH   31  331 20  HOH   HOH A . 
F 3 HOH   32  332 103 HOH   HOH A . 
F 3 HOH   33  333 50  HOH   HOH A . 
F 3 HOH   34  334 187 HOH   HOH A . 
F 3 HOH   35  335 14  HOH   HOH A . 
F 3 HOH   36  336 192 HOH   HOH A . 
F 3 HOH   37  337 22  HOH   HOH A . 
F 3 HOH   38  338 188 HOH   HOH A . 
F 3 HOH   39  339 218 HOH   HOH A . 
F 3 HOH   40  340 66  HOH   HOH A . 
F 3 HOH   41  341 13  HOH   HOH A . 
F 3 HOH   42  342 134 HOH   HOH A . 
F 3 HOH   43  343 25  HOH   HOH A . 
F 3 HOH   44  344 6   HOH   HOH A . 
F 3 HOH   45  345 87  HOH   HOH A . 
F 3 HOH   46  346 60  HOH   HOH A . 
F 3 HOH   47  347 79  HOH   HOH A . 
F 3 HOH   48  348 45  HOH   HOH A . 
F 3 HOH   49  349 76  HOH   HOH A . 
F 3 HOH   50  350 145 HOH   HOH A . 
F 3 HOH   51  351 80  HOH   HOH A . 
F 3 HOH   52  352 3   HOH   HOH A . 
F 3 HOH   53  353 107 HOH   HOH A . 
F 3 HOH   54  354 178 HOH   HOH A . 
F 3 HOH   55  355 119 HOH   HOH A . 
F 3 HOH   56  356 209 HOH   HOH A . 
F 3 HOH   57  357 165 HOH   HOH A . 
F 3 HOH   58  358 41  HOH   HOH A . 
F 3 HOH   59  359 117 HOH   HOH A . 
F 3 HOH   60  360 19  HOH   HOH A . 
F 3 HOH   61  361 86  HOH   HOH A . 
F 3 HOH   62  362 82  HOH   HOH A . 
F 3 HOH   63  363 214 HOH   HOH A . 
F 3 HOH   64  364 38  HOH   HOH A . 
F 3 HOH   65  365 227 HOH   HOH A . 
F 3 HOH   66  366 116 HOH   HOH A . 
F 3 HOH   67  367 26  HOH   HOH A . 
F 3 HOH   68  368 174 HOH   HOH A . 
F 3 HOH   69  369 8   HOH   HOH A . 
F 3 HOH   70  370 123 HOH   HOH A . 
F 3 HOH   71  371 59  HOH   HOH A . 
F 3 HOH   72  372 173 HOH   HOH A . 
F 3 HOH   73  373 57  HOH   HOH A . 
F 3 HOH   74  374 164 HOH   HOH A . 
F 3 HOH   75  375 46  HOH   HOH A . 
F 3 HOH   76  376 197 HOH   HOH A . 
F 3 HOH   77  377 157 HOH   HOH A . 
F 3 HOH   78  378 203 HOH   HOH A . 
F 3 HOH   79  379 130 HOH   HOH A . 
F 3 HOH   80  380 162 HOH   HOH A . 
F 3 HOH   81  381 221 HOH   HOH A . 
F 3 HOH   82  382 114 HOH   HOH A . 
F 3 HOH   83  383 220 HOH   HOH A . 
F 3 HOH   84  384 143 HOH   HOH A . 
F 3 HOH   85  385 98  HOH   HOH A . 
F 3 HOH   86  386 125 HOH   HOH A . 
F 3 HOH   87  387 131 HOH   HOH A . 
F 3 HOH   88  388 200 HOH   HOH A . 
F 3 HOH   89  389 182 HOH   HOH A . 
F 3 HOH   90  390 96  HOH   HOH A . 
F 3 HOH   91  391 113 HOH   HOH A . 
F 3 HOH   92  392 148 HOH   HOH A . 
F 3 HOH   93  393 39  HOH   HOH A . 
F 3 HOH   94  394 199 HOH   HOH A . 
F 3 HOH   95  395 141 HOH   HOH A . 
F 3 HOH   96  396 61  HOH   HOH A . 
F 3 HOH   97  397 180 HOH   HOH A . 
F 3 HOH   98  398 91  HOH   HOH A . 
F 3 HOH   99  399 198 HOH   HOH A . 
F 3 HOH   100 400 225 HOH   HOH A . 
F 3 HOH   101 401 224 HOH   HOH A . 
F 3 HOH   102 402 181 HOH   HOH A . 
# 
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 B LYS 28  ? CE  ? A LYS 16  CE  
2  1 Y 1 B LYS 28  ? NZ  ? A LYS 16  NZ  
3  1 Y 1 B ASN 42  ? CG  ? A ASN 30  CG  
4  1 Y 1 B ASN 42  ? OD1 ? A ASN 30  OD1 
5  1 Y 1 B ASN 42  ? ND2 ? A ASN 30  ND2 
6  1 Y 1 B GLU 44  ? CG  ? A GLU 32  CG  
7  1 Y 1 B GLU 44  ? CD  ? A GLU 32  CD  
8  1 Y 1 B GLU 44  ? OE1 ? A GLU 32  OE1 
9  1 Y 1 B GLU 44  ? OE2 ? A GLU 32  OE2 
10 1 Y 1 B GLU 45  ? CG  ? A GLU 33  CG  
11 1 Y 1 B GLU 45  ? CD  ? A GLU 33  CD  
12 1 Y 1 B GLU 45  ? OE1 ? A GLU 33  OE1 
13 1 Y 1 B GLU 45  ? OE2 ? A GLU 33  OE2 
14 1 Y 1 B LYS 52  ? CG  ? A LYS 40  CG  
15 1 Y 1 B LYS 52  ? CD  ? A LYS 40  CD  
16 1 Y 1 B LYS 52  ? CE  ? A LYS 40  CE  
17 1 Y 1 B LYS 52  ? NZ  ? A LYS 40  NZ  
18 1 Y 1 B LYS 58  ? CG  ? A LYS 46  CG  
19 1 Y 1 B LYS 58  ? CD  ? A LYS 46  CD  
20 1 Y 1 B LYS 58  ? CE  ? A LYS 46  CE  
21 1 Y 1 B LYS 58  ? NZ  ? A LYS 46  NZ  
22 1 Y 1 B LYS 65  ? CG  ? A LYS 53  CG  
23 1 Y 1 B LYS 65  ? CD  ? A LYS 53  CD  
24 1 Y 1 B LYS 65  ? CE  ? A LYS 53  CE  
25 1 Y 1 B LYS 65  ? NZ  ? A LYS 53  NZ  
26 1 Y 1 B LYS 66  ? CG  ? A LYS 54  CG  
27 1 Y 1 B LYS 66  ? CD  ? A LYS 54  CD  
28 1 Y 1 B LYS 66  ? CE  ? A LYS 54  CE  
29 1 Y 1 B LYS 66  ? NZ  ? A LYS 54  NZ  
30 1 Y 1 B LYS 83  ? CG  ? A LYS 71  CG  
31 1 Y 1 B LYS 83  ? CD  ? A LYS 71  CD  
32 1 Y 1 B LYS 83  ? CE  ? A LYS 71  CE  
33 1 Y 1 B LYS 83  ? NZ  ? A LYS 71  NZ  
34 1 Y 1 B LYS 88  ? CG  ? A LYS 76  CG  
35 1 Y 1 B LYS 88  ? CD  ? A LYS 76  CD  
36 1 Y 1 B LYS 88  ? CE  ? A LYS 76  CE  
37 1 Y 1 B LYS 88  ? NZ  ? A LYS 76  NZ  
38 1 Y 1 B LYS 98  ? CG  ? A LYS 86  CG  
39 1 Y 1 B LYS 98  ? CD  ? A LYS 86  CD  
40 1 Y 1 B LYS 98  ? CE  ? A LYS 86  CE  
41 1 Y 1 B LYS 98  ? NZ  ? A LYS 86  NZ  
42 1 Y 1 B LYS 121 ? CG  ? A LYS 109 CG  
43 1 Y 1 B LYS 121 ? CD  ? A LYS 109 CD  
44 1 Y 1 B LYS 121 ? CE  ? A LYS 109 CE  
45 1 Y 1 B LYS 121 ? NZ  ? A LYS 109 NZ  
46 1 Y 1 B LYS 138 ? CG  ? A LYS 126 CG  
47 1 Y 1 B LYS 138 ? CD  ? A LYS 126 CD  
48 1 Y 1 B LYS 138 ? CE  ? A LYS 126 CE  
49 1 Y 1 B LYS 138 ? NZ  ? A LYS 126 NZ  
50 1 Y 1 B GLU 140 ? CG  ? A GLU 128 CG  
51 1 Y 1 B GLU 140 ? CD  ? A GLU 128 CD  
52 1 Y 1 B GLU 140 ? OE1 ? A GLU 128 OE1 
53 1 Y 1 B GLU 140 ? OE2 ? A GLU 128 OE2 
54 1 Y 1 A GLU 20  ? CG  ? B GLU 8   CG  
55 1 Y 1 A GLU 20  ? CD  ? B GLU 8   CD  
56 1 Y 1 A GLU 20  ? OE1 ? B GLU 8   OE1 
57 1 Y 1 A GLU 20  ? OE2 ? B GLU 8   OE2 
58 1 Y 1 A GLN 21  ? CG  ? B GLN 9   CG  
59 1 Y 1 A GLN 21  ? CD  ? B GLN 9   CD  
60 1 Y 1 A GLN 21  ? OE1 ? B GLN 9   OE1 
61 1 Y 1 A GLN 21  ? NE2 ? B GLN 9   NE2 
62 1 Y 1 A GLU 23  ? CG  ? B GLU 11  CG  
63 1 Y 1 A GLU 23  ? CD  ? B GLU 11  CD  
64 1 Y 1 A GLU 23  ? OE1 ? B GLU 11  OE1 
65 1 Y 1 A GLU 23  ? OE2 ? B GLU 11  OE2 
66 1 Y 1 A GLU 44  ? CG  ? B GLU 32  CG  
67 1 Y 1 A GLU 44  ? CD  ? B GLU 32  CD  
68 1 Y 1 A GLU 44  ? OE1 ? B GLU 32  OE1 
69 1 Y 1 A GLU 44  ? OE2 ? B GLU 32  OE2 
70 1 Y 1 A GLU 45  ? CG  ? B GLU 33  CG  
71 1 Y 1 A GLU 45  ? CD  ? B GLU 33  CD  
72 1 Y 1 A GLU 45  ? OE1 ? B GLU 33  OE1 
73 1 Y 1 A GLU 45  ? OE2 ? B GLU 33  OE2 
74 1 Y 1 A ASN 63  ? CG  ? B ASN 51  CG  
75 1 Y 1 A ASN 63  ? OD1 ? B ASN 51  OD1 
76 1 Y 1 A ASN 63  ? ND2 ? B ASN 51  ND2 
77 1 Y 1 A LYS 65  ? CG  ? B LYS 53  CG  
78 1 Y 1 A LYS 65  ? CD  ? B LYS 53  CD  
79 1 Y 1 A LYS 65  ? CE  ? B LYS 53  CE  
80 1 Y 1 A LYS 65  ? NZ  ? B LYS 53  NZ  
81 1 Y 1 A LYS 66  ? CG  ? B LYS 54  CG  
82 1 Y 1 A LYS 66  ? CD  ? B LYS 54  CD  
83 1 Y 1 A LYS 66  ? CE  ? B LYS 54  CE  
84 1 Y 1 A LYS 66  ? NZ  ? B LYS 54  NZ  
85 1 Y 1 A LYS 88  ? CD  ? B LYS 76  CD  
86 1 Y 1 A LYS 88  ? CE  ? B LYS 76  CE  
87 1 Y 1 A LYS 88  ? NZ  ? B LYS 76  NZ  
88 1 Y 1 A LYS 138 ? CG  ? B LYS 126 CG  
89 1 Y 1 A LYS 138 ? CD  ? B LYS 126 CD  
90 1 Y 1 A LYS 138 ? CE  ? B LYS 126 CE  
91 1 Y 1 A LYS 138 ? NZ  ? B LYS 126 NZ  
92 1 Y 1 A GLU 140 ? CG  ? B GLU 128 CG  
93 1 Y 1 A GLU 140 ? CD  ? B GLU 128 CD  
94 1 Y 1 A GLU 140 ? OE1 ? B GLU 128 OE1 
95 1 Y 1 A GLU 140 ? OE2 ? B GLU 128 OE2 
# 
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       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? '5.8.0430 (refmacat 0.4.82)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoXDS ? ? ? .                            2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                            3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .                            4 
# 
_cell.angle_alpha                  90 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GPQ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     49.002 
_cell.length_a_esd                 ? 
_cell.length_b                     49.002 
_cell.length_b_esd                 ? 
_cell.length_c                     195.356 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9GPQ 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                154 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 32 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9GPQ 
_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             2.42 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          49.12 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '16% PEG3350, 0.2M ammonium acetate, 0.1M HEPES-NaOH pH 7.5, 10% glycol' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 S 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         2024-03-15 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.918400 
_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        0.918400 
_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                                       9GPQ 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.35 
_reflns.d_resolution_low                               48.84 
_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                                     61054 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.7 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                11.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          19.4 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.98 
_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                                0.054 
_reflns.pdbx_Rpim_I_all                                0.021 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.049 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_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_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_percent_possible_ellipsoidal 
_reflns_shell.pdbx_percent_possible_spherical 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous 
_reflns_shell.pdbx_percent_possible_spherical_anomalous 
_reflns_shell.pdbx_redundancy_anomalous 
_reflns_shell.pdbx_CC_half_anomalous 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous 
_reflns_shell.pdbx_percent_possible_anomalous 
7.27 48.84 ? 69.3 ? ? ? ? 497  ? ? ? ? ? ? ? ? ? ? ? 10.2 0.87 ? ? 0.028 0.011 ? 1 ? 1.000 ? ? 99.6 ? 0.026 ? ? ? ? ? ? ? ? ? 
1.35 1.37  ? 1.4  ? ? ? ? 2913 ? ? ? ? ? ? ? ? ? ? ? 9.5  0.99 ? ? 1.623 0.707 ? 2 ? 0.616 ? ? 95.3 ? 1.452 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            -0.106 
_refine.aniso_B[1][2]                            -0.053 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.106 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.345 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               25.473 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.967 
_refine.correlation_coeff_Fo_to_Fc_free          0.965 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9GPQ 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.350 
_refine.ls_d_res_low                             42.473 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     60962 
_refine.ls_number_reflns_R_free                  3053 
_refine.ls_number_reflns_R_work                  57909 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.680 
_refine.ls_percent_reflns_R_free                 5.008 
_refine.ls_R_factor_all                          0.179 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2035 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1775 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.059 
_refine.pdbx_overall_ESU_R_Free                  0.055 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             2.371 
_refine.overall_SU_ML                            0.043 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.350 
_refine_hist.d_res_low                        42.473 
_refine_hist.number_atoms_solvent             226 
_refine_hist.number_atoms_total               2189 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1879 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         84 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.010  0.012  2034 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.016  1888 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.770  1.821  2759 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.611  1.741  4389 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.819  5.000  258  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 32.094 13.333 18   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 10.552 10.000 306  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.326 10.000 70   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.098  0.200  302  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  2331 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  421  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.213  0.200  369  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.203  0.200  1692 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.175  0.200  1059 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.089  0.200  1006 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.165  0.200  158  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.111  0.200  7    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.156  0.200  30   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.270  0.200  27   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 11.145 2.490  1032 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 11.111 2.489  1032 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 14.005 4.486  1290 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 14.006 4.488  1291 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 8.713  2.545  1002 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 8.709  2.544  1003 ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 12.380 4.599  1469 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 12.376 4.597  1470 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 19.282 25.874 2336 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 18.595 24.271 2274 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.682  3.000  3922 ? r_rigid_bond_restr             ? ? 
'X-RAY DIFFRACTION' ? 0.105  0.050  3596 ? r_ncsr_local_group_1           ? ? 
# 
loop_
_refine_ls_restr_ncs.pdbx_refine_id 
_refine_ls_restr_ncs.dom_id 
_refine_ls_restr_ncs.ncs_model_details 
_refine_ls_restr_ncs.rms_dev_B_iso 
_refine_ls_restr_ncs.rms_dev_position 
_refine_ls_restr_ncs.weight_B_iso 
_refine_ls_restr_ncs.weight_position 
_refine_ls_restr_ncs.pdbx_ordinal 
_refine_ls_restr_ncs.pdbx_type 
_refine_ls_restr_ncs.pdbx_asym_id 
_refine_ls_restr_ncs.pdbx_auth_asym_id 
_refine_ls_restr_ncs.pdbx_number 
_refine_ls_restr_ncs.pdbx_rms 
_refine_ls_restr_ncs.pdbx_weight 
_refine_ls_restr_ncs.pdbx_ens_id 
'X-RAY DIFFRACTION' 1 ? ? 0.10485 ? 0.05008 1 'Local ncs' ? B ? ? ? 1 
'X-RAY DIFFRACTION' 2 ? ? 0.10485 ? 0.05008 2 'Local ncs' ? A ? ? ? 1 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.350 1.385  4420 . 173 4090 96.4480  . 0.250 . . 0.250 . . . . . 0.247 . 20 . 0.955 0.958 0.250 
'X-RAY DIFFRACTION' 1.385 1.423  4336 . 179 4157 100.0000 . 0.209 . . 0.208 . . . . . 0.201 . 20 . 0.971 0.960 0.242 
'X-RAY DIFFRACTION' 1.423 1.464  4237 . 211 4026 100.0000 . 0.201 . . 0.199 . . . . . 0.186 . 20 . 0.973 0.958 0.245 
'X-RAY DIFFRACTION' 1.464 1.509  4063 . 228 3832 99.9262  . 0.179 . . 0.176 . . . . . 0.162 . 20 . 0.980 0.966 0.226 
'X-RAY DIFFRACTION' 1.509 1.559  3983 . 189 3790 99.8996  . 0.161 . . 0.159 . . . . . 0.143 . 20 . 0.984 0.975 0.202 
'X-RAY DIFFRACTION' 1.559 1.613  3851 . 218 3630 99.9221  . 0.149 . . 0.146 . . . . . 0.130 . 20 . 0.986 0.977 0.192 
'X-RAY DIFFRACTION' 1.613 1.674  3745 . 204 3541 100.0000 . 0.145 . . 0.143 . . . . . 0.126 . 20 . 0.987 0.975 0.192 
'X-RAY DIFFRACTION' 1.674 1.742  3583 . 151 3431 99.9721  . 0.159 . . 0.156 . . . . . 0.139 . 20 . 0.984 0.966 0.223 
'X-RAY DIFFRACTION' 1.742 1.820  3482 . 170 3310 99.9426  . 0.145 . . 0.142 . . . . . 0.128 . 20 . 0.987 0.973 0.205 
'X-RAY DIFFRACTION' 1.820 1.908  3287 . 163 3119 99.8479  . 0.151 . . 0.148 . . . . . 0.136 . 20 . 0.986 0.976 0.196 
'X-RAY DIFFRACTION' 1.908 2.011  3148 . 193 2955 100.0000 . 0.156 . . 0.153 . . . . . 0.142 . 20 . 0.986 0.975 0.203 
'X-RAY DIFFRACTION' 2.011 2.133  3022 . 169 2853 100.0000 . 0.163 . . 0.161 . . . . . 0.153 . 20 . 0.984 0.975 0.195 
'X-RAY DIFFRACTION' 2.133 2.280  2793 . 152 2639 99.9284  . 0.156 . . 0.153 . . . . . 0.147 . 20 . 0.985 0.974 0.215 
'X-RAY DIFFRACTION' 2.280 2.462  2657 . 121 2529 99.7365  . 0.164 . . 0.162 . . . . . 0.160 . 20 . 0.983 0.978 0.190 
'X-RAY DIFFRACTION' 2.462 2.696  2440 . 118 2322 100.0000 . 0.175 . . 0.173 . . . . . 0.174 . 20 . 0.981 0.974 0.213 
'X-RAY DIFFRACTION' 2.696 3.013  2227 . 102 2125 100.0000 . 0.191 . . 0.189 . . . . . 0.195 . 20 . 0.978 0.972 0.215 
'X-RAY DIFFRACTION' 3.013 3.476  1973 . 113 1857 99.8479  . 0.201 . . 0.199 . . . . . 0.213 . 20 . 0.976 0.967 0.224 
'X-RAY DIFFRACTION' 3.476 4.250  1723 . 94  1628 99.9420  . 0.182 . . 0.181 . . . . . 0.204 . 20 . 0.981 0.980 0.197 
'X-RAY DIFFRACTION' 4.250 5.980  1351 . 78  1269 99.7039  . 0.178 . . 0.178 . . . . . 0.217 . 20 . 0.983 0.981 0.176 
'X-RAY DIFFRACTION' 5.980 42.473 836  . 27  806  99.6412  . 0.253 . . 0.256 . . . . . 0.341 . 20 . 0.943 0.977 0.192 
# 
loop_
_struct_ncs_dom.id 
_struct_ncs_dom.pdbx_ens_id 
_struct_ncs_dom.details 
1 1 B 
2 1 A 
# 
loop_
_struct_ncs_dom_lim.pdbx_ens_id 
_struct_ncs_dom_lim.dom_id 
_struct_ncs_dom_lim.pdbx_component_id 
_struct_ncs_dom_lim.beg_label_asym_id 
_struct_ncs_dom_lim.beg_label_comp_id 
_struct_ncs_dom_lim.beg_label_seq_id 
_struct_ncs_dom_lim.beg_label_alt_id 
_struct_ncs_dom_lim.end_label_asym_id 
_struct_ncs_dom_lim.end_label_comp_id 
_struct_ncs_dom_lim.end_label_seq_id 
_struct_ncs_dom_lim.end_label_alt_id 
_struct_ncs_dom_lim.beg_auth_asym_id 
_struct_ncs_dom_lim.beg_auth_comp_id 
_struct_ncs_dom_lim.beg_auth_seq_id 
_struct_ncs_dom_lim.end_auth_asym_id 
_struct_ncs_dom_lim.end_auth_comp_id 
_struct_ncs_dom_lim.end_auth_seq_id 
_struct_ncs_dom_lim.pdbx_refine_code 
_struct_ncs_dom_lim.selection_details 
1 1 1 A GLY 1 . A GLU 128 . B GLY 13 B GLU 140 ? ? 
1 2 1 B GLY 1 . B GLU 128 . A GLY 13 A GLU 140 ? ? 
# 
_struct_ncs_ens.id        1 
_struct_ncs_ens.details   'Local NCS retraints between domains:       1       2' 
# 
_struct.entry_id                     9GPQ 
_struct.title                        'The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12h/p' 
_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        9GPQ 
_struct_keywords.text            'FKBP, Inhibitor, SAFIT, Macrocycle, Complex, ISOMERASE' 
_struct_keywords.pdbx_keywords   ISOMERASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 1 ? 
C N N 2 ? 
D N N 2 ? 
E N N 3 ? 
F N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    FKBP5_HUMAN 
_struct_ref.pdbx_db_accession          Q13451 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;ATVAEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVA
TMKKGEICHLLCKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_struct_ref.pdbx_align_begin           16 
# 
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 9GPQ B 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
2 1 9GPQ A 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
# 
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 9GPQ GLY B 1  ? UNP Q13451 ?   ?   'expression tag'      13  1  
1 9GPQ ALA B 2  ? UNP Q13451 ?   ?   'expression tag'      14  2  
1 9GPQ PRO B 3  ? UNP Q13451 ?   ?   'expression tag'      15  3  
1 9GPQ THR B 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  4  
1 9GPQ ALA B 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 5  
1 9GPQ ILE B 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 6  
2 9GPQ GLY A 1  ? UNP Q13451 ?   ?   'expression tag'      13  7  
2 9GPQ ALA A 2  ? UNP Q13451 ?   ?   'expression tag'      14  8  
2 9GPQ PRO A 3  ? UNP Q13451 ?   ?   'expression tag'      15  9  
2 9GPQ THR A 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  10 
2 9GPQ ALA A 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 11 
2 9GPQ ILE A 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 12 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_defined_assembly ? monomeric 1 
2 author_defined_assembly ? monomeric 1 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,C,E 
2 1 B,D,F 
# 
_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 GLY A 1  ? GLY A 10  ? GLY B 13  GLY B 22  1 ? 10 
HELX_P HELX_P2 AA2 HIS A 59 ? ASN A 62  ? HIS B 71  ASN B 74  5 ? 4  
HELX_P HELX_P3 AA3 ILE A 75 ? ALA A 83  ? ILE B 87  ALA B 95  1 ? 9  
HELX_P HELX_P4 AA4 PRO A 97 ? ALA A 100 ? PRO B 109 ALA B 112 5 ? 4  
HELX_P HELX_P5 AA5 ALA B 2  ? GLY B 10  ? ALA A 14  GLY A 22  1 ? 9  
HELX_P HELX_P6 AA6 HIS B 59 ? ASN B 62  ? HIS A 71  ASN A 74  5 ? 4  
HELX_P HELX_P7 AA7 ILE B 75 ? ALA B 83  ? ILE A 87  ALA A 95  1 ? 9  
HELX_P HELX_P8 AA8 PRO B 97 ? ALA B 100 ? PRO A 109 ALA A 112 5 ? 4  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 LEU 107 A . ? LEU 119 B PRO 108 A ? PRO 120 B 1 3.37 
2 LEU 107 B . ? LEU 119 A PRO 108 B ? PRO 120 A 1 7.95 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 6 ? 
AA3 ? 6 ? 
AA4 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
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 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
AA3 5 6 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA4 4 5 ? anti-parallel 
AA4 5 6 ? 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 GLU A 11  ? ASP A 12  ? GLU B 23  ASP B 24  
AA1 2 VAL A 21  ? ARG A 27  ? VAL B 33  ARG B 39  
AA1 3 ILE A 90  ? ILE A 95  ? ILE B 102 ILE B 107 
AA1 4 LEU A 116 ? LYS A 126 ? LEU B 128 LYS B 138 
AA1 5 LYS A 40  ? LEU A 49  ? LYS B 52  LEU B 61  
AA1 6 PHE A 55  ? SER A 57  ? PHE B 67  SER B 69  
AA2 1 GLU A 11  ? ASP A 12  ? GLU B 23  ASP B 24  
AA2 2 VAL A 21  ? ARG A 27  ? VAL B 33  ARG B 39  
AA2 3 ILE A 90  ? ILE A 95  ? ILE B 102 ILE B 107 
AA2 4 LEU A 116 ? LYS A 126 ? LEU B 128 LYS B 138 
AA2 5 LYS A 40  ? LEU A 49  ? LYS B 52  LEU B 61  
AA2 6 PHE A 65  ? SER A 68  ? PHE B 77  SER B 80  
AA3 1 GLU B 11  ? ASP B 12  ? GLU A 23  ASP A 24  
AA3 2 VAL B 21  ? ARG B 27  ? VAL A 33  ARG A 39  
AA3 3 ILE B 90  ? ILE B 95  ? ILE A 102 ILE A 107 
AA3 4 LEU B 116 ? LYS B 126 ? LEU A 128 LYS A 138 
AA3 5 LYS B 40  ? LEU B 49  ? LYS A 52  LEU A 61  
AA3 6 PHE B 55  ? SER B 57  ? PHE A 67  SER A 69  
AA4 1 GLU B 11  ? ASP B 12  ? GLU A 23  ASP A 24  
AA4 2 VAL B 21  ? ARG B 27  ? VAL A 33  ARG A 39  
AA4 3 ILE B 90  ? ILE B 95  ? ILE A 102 ILE A 107 
AA4 4 LEU B 116 ? LYS B 126 ? LEU A 128 LYS A 138 
AA4 5 LYS B 40  ? LEU B 49  ? LYS A 52  LEU A 61  
AA4 6 PHE B 65  ? SER B 68  ? PHE A 77  SER A 80  
# 
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 GLU A 11  ? N GLU B 23  O LYS A 23  ? O LYS B 35  
AA1 2 3 N ILE A 24  ? N ILE B 36  O HIS A 92  ? O HIS B 104 
AA1 3 4 N ILE A 95  ? N ILE B 107 O LEU A 116 ? O LEU B 128 
AA1 4 5 O GLU A 121 ? O GLU B 133 N HIS A 44  ? N HIS B 56  
AA1 5 6 N GLY A 47  ? N GLY B 59  O ASP A 56  ? O ASP B 68  
AA2 1 2 N GLU A 11  ? N GLU B 23  O LYS A 23  ? O LYS B 35  
AA2 2 3 N ILE A 24  ? N ILE B 36  O HIS A 92  ? O HIS B 104 
AA2 3 4 N ILE A 95  ? N ILE B 107 O LEU A 116 ? O LEU B 128 
AA2 4 5 O GLU A 121 ? O GLU B 133 N HIS A 44  ? N HIS B 56  
AA2 5 6 N VAL A 41  ? N VAL B 53  O PHE A 67  ? O PHE B 79  
AA3 1 2 N GLU B 11  ? N GLU A 23  O LYS B 23  ? O LYS A 35  
AA3 2 3 N ILE B 24  ? N ILE A 36  O HIS B 92  ? O HIS A 104 
AA3 3 4 N ILE B 95  ? N ILE A 107 O LEU B 116 ? O LEU A 128 
AA3 4 5 O GLU B 121 ? O GLU A 133 N HIS B 44  ? N HIS A 56  
AA3 5 6 N GLY B 47  ? N GLY A 59  O ASP B 56  ? O ASP A 68  
AA4 1 2 N GLU B 11  ? N GLU A 23  O LYS B 23  ? O LYS A 35  
AA4 2 3 N ILE B 24  ? N ILE A 36  O HIS B 92  ? O HIS A 104 
AA4 3 4 N ILE B 95  ? N ILE A 107 O LEU B 116 ? O LEU A 128 
AA4 4 5 O GLU B 121 ? O GLU A 133 N HIS B 44  ? N HIS A 56  
AA4 5 6 N VAL B 41  ? N VAL A 53  O PHE B 67  ? O PHE A 79  
# 
_pdbx_entry_details.entry_id                   9GPQ 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
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 O A HOH 365 ? ? O A HOH 399 ? ? 2.07 
2 1 O B HOH 379 ? ? O B HOH 400 ? ? 2.16 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     327 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     363 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   6_454 
_pdbx_validate_symm_contact.dist              2.18 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_1             A 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              39 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CZ 
_pdbx_validate_rmsd_angle.auth_asym_id_2             A 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              39 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NH1 
_pdbx_validate_rmsd_angle.auth_asym_id_3             A 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              39 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                117.08 
_pdbx_validate_rmsd_angle.angle_target_value         120.30 
_pdbx_validate_rmsd_angle.angle_deviation            -3.22 
_pdbx_validate_rmsd_angle.angle_standard_deviation   0.50 
_pdbx_validate_rmsd_angle.linker_flag                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 ALA B 112 ? ? -134.73 -109.93 
2 1 SER B 118 ? ? -151.15 74.24   
3 1 ALA A 112 ? ? -125.10 -104.77 
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    A 
_pdbx_validate_planes.auth_seq_id     73 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.075 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      B 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       424 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.79 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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 
A1INQ C4   C Y N 1   
A1INQ C14  C Y N 2   
A1INQ C5   C Y N 3   
A1INQ C6   C Y N 4   
A1INQ C11  C N N 5   
A1INQ C7   C Y N 6   
A1INQ C8   C N N 7   
A1INQ C9   C N R 8   
A1INQ C10  C N N 9   
A1INQ C12  C N N 10  
A1INQ C13  C Y N 11  
A1INQ N1   N Y N 12  
A1INQ N2   N Y N 13  
A1INQ C3   C Y N 14  
A1INQ N3   N Y N 15  
A1INQ C1   C N N 16  
A1INQ O1   O N N 17  
A1INQ C2   C Y N 18  
A1INQ O2   O N N 19  
A1INQ O3   O N N 20  
A1INQ C15  C N N 21  
A1INQ C16  C N N 22  
A1INQ C17  C N N 23  
A1INQ C18  C N N 24  
A1INQ O4   O N N 25  
A1INQ C19  C N N 26  
A1INQ O5   O N N 27  
A1INQ C20  C N S 28  
A1INQ C21  C N N 29  
A1INQ C22  C N N 30  
A1INQ C23  C N N 31  
A1INQ C24  C N N 32  
A1INQ N4   N N N 33  
A1INQ C25  C N N 34  
A1INQ O6   O N N 35  
A1INQ C26  C N S 36  
A1INQ C27  C N N 37  
A1INQ C28  C N N 38  
A1INQ C29  C N N 39  
A1INQ C30  C N N 40  
A1INQ C31  C N N 41  
A1INQ C32  C N N 42  
A1INQ H5   H N N 43  
A1INQ H14  H N N 44  
A1INQ H13  H N N 45  
A1INQ H7   H N N 46  
A1INQ H8   H N N 47  
A1INQ H6   H N N 48  
A1INQ H9   H N N 49  
A1INQ H12  H N N 50  
A1INQ H10  H N N 51  
A1INQ H11  H N N 52  
A1INQ H15  H N N 53  
A1INQ H16  H N N 54  
A1INQ H17  H N N 55  
A1INQ H4   H N N 56  
A1INQ H2   H N N 57  
A1INQ H3   H N N 58  
A1INQ H1   H N N 59  
A1INQ H19  H N N 60  
A1INQ H18  H N N 61  
A1INQ H21  H N N 62  
A1INQ H20  H N N 63  
A1INQ H23  H N N 64  
A1INQ H22  H N N 65  
A1INQ H25  H N N 66  
A1INQ H24  H N N 67  
A1INQ H26  H N N 68  
A1INQ H28  H N N 69  
A1INQ H27  H N N 70  
A1INQ H29  H N N 71  
A1INQ H30  H N N 72  
A1INQ H31  H N N 73  
A1INQ H32  H N N 74  
A1INQ H33  H N N 75  
A1INQ H34  H N N 76  
A1INQ H35  H N N 77  
A1INQ H36  H N N 78  
A1INQ H38  H N N 79  
A1INQ H37  H N N 80  
A1INQ H39  H N N 81  
A1INQ H40  H N N 82  
A1INQ H41  H N N 83  
A1INQ H42  H N N 84  
A1INQ H43  H N N 85  
A1INQ H44  H N N 86  
A1INQ H46  H N N 87  
A1INQ H45  H N N 88  
ALA   N    N N N 89  
ALA   CA   C N S 90  
ALA   C    C N N 91  
ALA   O    O N N 92  
ALA   CB   C N N 93  
ALA   OXT  O N N 94  
ALA   H    H N N 95  
ALA   H2   H N N 96  
ALA   HA   H N N 97  
ALA   HB1  H N N 98  
ALA   HB2  H N N 99  
ALA   HB3  H N N 100 
ALA   HXT  H N N 101 
ARG   N    N N N 102 
ARG   CA   C N S 103 
ARG   C    C N N 104 
ARG   O    O N N 105 
ARG   CB   C N N 106 
ARG   CG   C N N 107 
ARG   CD   C N N 108 
ARG   NE   N N N 109 
ARG   CZ   C N N 110 
ARG   NH1  N N N 111 
ARG   NH2  N N N 112 
ARG   OXT  O N N 113 
ARG   H    H N N 114 
ARG   H2   H N N 115 
ARG   HA   H N N 116 
ARG   HB2  H N N 117 
ARG   HB3  H N N 118 
ARG   HG2  H N N 119 
ARG   HG3  H N N 120 
ARG   HD2  H N N 121 
ARG   HD3  H N N 122 
ARG   HE   H N N 123 
ARG   HH11 H N N 124 
ARG   HH12 H N N 125 
ARG   HH21 H N N 126 
ARG   HH22 H N N 127 
ARG   HXT  H N N 128 
ASN   N    N N N 129 
ASN   CA   C N S 130 
ASN   C    C N N 131 
ASN   O    O N N 132 
ASN   CB   C N N 133 
ASN   CG   C N N 134 
ASN   OD1  O N N 135 
ASN   ND2  N N N 136 
ASN   OXT  O N N 137 
ASN   H    H N N 138 
ASN   H2   H N N 139 
ASN   HA   H N N 140 
ASN   HB2  H N N 141 
ASN   HB3  H N N 142 
ASN   HD21 H N N 143 
ASN   HD22 H N N 144 
ASN   HXT  H N N 145 
ASP   N    N N N 146 
ASP   CA   C N S 147 
ASP   C    C N N 148 
ASP   O    O N N 149 
ASP   CB   C N N 150 
ASP   CG   C N N 151 
ASP   OD1  O N N 152 
ASP   OD2  O N N 153 
ASP   OXT  O N N 154 
ASP   H    H N N 155 
ASP   H2   H N N 156 
ASP   HA   H N N 157 
ASP   HB2  H N N 158 
ASP   HB3  H N N 159 
ASP   HD2  H N N 160 
ASP   HXT  H N N 161 
CYS   N    N N N 162 
CYS   CA   C N R 163 
CYS   C    C N N 164 
CYS   O    O N N 165 
CYS   CB   C N N 166 
CYS   SG   S N N 167 
CYS   OXT  O N N 168 
CYS   H    H N N 169 
CYS   H2   H N N 170 
CYS   HA   H N N 171 
CYS   HB2  H N N 172 
CYS   HB3  H N N 173 
CYS   HG   H N N 174 
CYS   HXT  H N N 175 
GLN   N    N N N 176 
GLN   CA   C N S 177 
GLN   C    C N N 178 
GLN   O    O N N 179 
GLN   CB   C N N 180 
GLN   CG   C N N 181 
GLN   CD   C N N 182 
GLN   OE1  O N N 183 
GLN   NE2  N N N 184 
GLN   OXT  O N N 185 
GLN   H    H N N 186 
GLN   H2   H N N 187 
GLN   HA   H N N 188 
GLN   HB2  H N N 189 
GLN   HB3  H N N 190 
GLN   HG2  H N N 191 
GLN   HG3  H N N 192 
GLN   HE21 H N N 193 
GLN   HE22 H N N 194 
GLN   HXT  H N N 195 
GLU   N    N N N 196 
GLU   CA   C N S 197 
GLU   C    C N N 198 
GLU   O    O N N 199 
GLU   CB   C N N 200 
GLU   CG   C N N 201 
GLU   CD   C N N 202 
GLU   OE1  O N N 203 
GLU   OE2  O N N 204 
GLU   OXT  O N N 205 
GLU   H    H N N 206 
GLU   H2   H N N 207 
GLU   HA   H N N 208 
GLU   HB2  H N N 209 
GLU   HB3  H N N 210 
GLU   HG2  H N N 211 
GLU   HG3  H N N 212 
GLU   HE2  H N N 213 
GLU   HXT  H N N 214 
GLY   N    N N N 215 
GLY   CA   C N N 216 
GLY   C    C N N 217 
GLY   O    O N N 218 
GLY   OXT  O N N 219 
GLY   H    H N N 220 
GLY   H2   H N N 221 
GLY   HA2  H N N 222 
GLY   HA3  H N N 223 
GLY   HXT  H N N 224 
HIS   N    N N N 225 
HIS   CA   C N S 226 
HIS   C    C N N 227 
HIS   O    O N N 228 
HIS   CB   C N N 229 
HIS   CG   C Y N 230 
HIS   ND1  N Y N 231 
HIS   CD2  C Y N 232 
HIS   CE1  C Y N 233 
HIS   NE2  N Y N 234 
HIS   OXT  O N N 235 
HIS   H    H N N 236 
HIS   H2   H N N 237 
HIS   HA   H N N 238 
HIS   HB2  H N N 239 
HIS   HB3  H N N 240 
HIS   HD1  H N N 241 
HIS   HD2  H N N 242 
HIS   HE1  H N N 243 
HIS   HE2  H N N 244 
HIS   HXT  H N N 245 
HOH   O    O N N 246 
HOH   H1   H N N 247 
HOH   H2   H N N 248 
ILE   N    N N N 249 
ILE   CA   C N S 250 
ILE   C    C N N 251 
ILE   O    O N N 252 
ILE   CB   C N S 253 
ILE   CG1  C N N 254 
ILE   CG2  C N N 255 
ILE   CD1  C N N 256 
ILE   OXT  O N N 257 
ILE   H    H N N 258 
ILE   H2   H N N 259 
ILE   HA   H N N 260 
ILE   HB   H N N 261 
ILE   HG12 H N N 262 
ILE   HG13 H N N 263 
ILE   HG21 H N N 264 
ILE   HG22 H N N 265 
ILE   HG23 H N N 266 
ILE   HD11 H N N 267 
ILE   HD12 H N N 268 
ILE   HD13 H N N 269 
ILE   HXT  H N N 270 
LEU   N    N N N 271 
LEU   CA   C N S 272 
LEU   C    C N N 273 
LEU   O    O N N 274 
LEU   CB   C N N 275 
LEU   CG   C N N 276 
LEU   CD1  C N N 277 
LEU   CD2  C N N 278 
LEU   OXT  O N N 279 
LEU   H    H N N 280 
LEU   H2   H N N 281 
LEU   HA   H N N 282 
LEU   HB2  H N N 283 
LEU   HB3  H N N 284 
LEU   HG   H N N 285 
LEU   HD11 H N N 286 
LEU   HD12 H N N 287 
LEU   HD13 H N N 288 
LEU   HD21 H N N 289 
LEU   HD22 H N N 290 
LEU   HD23 H N N 291 
LEU   HXT  H N N 292 
LYS   N    N N N 293 
LYS   CA   C N S 294 
LYS   C    C N N 295 
LYS   O    O N N 296 
LYS   CB   C N N 297 
LYS   CG   C N N 298 
LYS   CD   C N N 299 
LYS   CE   C N N 300 
LYS   NZ   N N N 301 
LYS   OXT  O N N 302 
LYS   H    H N N 303 
LYS   H2   H N N 304 
LYS   HA   H N N 305 
LYS   HB2  H N N 306 
LYS   HB3  H N N 307 
LYS   HG2  H N N 308 
LYS   HG3  H N N 309 
LYS   HD2  H N N 310 
LYS   HD3  H N N 311 
LYS   HE2  H N N 312 
LYS   HE3  H N N 313 
LYS   HZ1  H N N 314 
LYS   HZ2  H N N 315 
LYS   HZ3  H N N 316 
LYS   HXT  H N N 317 
MET   N    N N N 318 
MET   CA   C N S 319 
MET   C    C N N 320 
MET   O    O N N 321 
MET   CB   C N N 322 
MET   CG   C N N 323 
MET   SD   S N N 324 
MET   CE   C N N 325 
MET   OXT  O N N 326 
MET   H    H N N 327 
MET   H2   H N N 328 
MET   HA   H N N 329 
MET   HB2  H N N 330 
MET   HB3  H N N 331 
MET   HG2  H N N 332 
MET   HG3  H N N 333 
MET   HE1  H N N 334 
MET   HE2  H N N 335 
MET   HE3  H N N 336 
MET   HXT  H N N 337 
PHE   N    N N N 338 
PHE   CA   C N S 339 
PHE   C    C N N 340 
PHE   O    O N N 341 
PHE   CB   C N N 342 
PHE   CG   C Y N 343 
PHE   CD1  C Y N 344 
PHE   CD2  C Y N 345 
PHE   CE1  C Y N 346 
PHE   CE2  C Y N 347 
PHE   CZ   C Y N 348 
PHE   OXT  O N N 349 
PHE   H    H N N 350 
PHE   H2   H N N 351 
PHE   HA   H N N 352 
PHE   HB2  H N N 353 
PHE   HB3  H N N 354 
PHE   HD1  H N N 355 
PHE   HD2  H N N 356 
PHE   HE1  H N N 357 
PHE   HE2  H N N 358 
PHE   HZ   H N N 359 
PHE   HXT  H N N 360 
PRO   N    N N N 361 
PRO   CA   C N S 362 
PRO   C    C N N 363 
PRO   O    O N N 364 
PRO   CB   C N N 365 
PRO   CG   C N N 366 
PRO   CD   C N N 367 
PRO   OXT  O N N 368 
PRO   H    H N N 369 
PRO   HA   H N N 370 
PRO   HB2  H N N 371 
PRO   HB3  H N N 372 
PRO   HG2  H N N 373 
PRO   HG3  H N N 374 
PRO   HD2  H N N 375 
PRO   HD3  H N N 376 
PRO   HXT  H N N 377 
SER   N    N N N 378 
SER   CA   C N S 379 
SER   C    C N N 380 
SER   O    O N N 381 
SER   CB   C N N 382 
SER   OG   O N N 383 
SER   OXT  O N N 384 
SER   H    H N N 385 
SER   H2   H N N 386 
SER   HA   H N N 387 
SER   HB2  H N N 388 
SER   HB3  H N N 389 
SER   HG   H N N 390 
SER   HXT  H N N 391 
THR   N    N N N 392 
THR   CA   C N S 393 
THR   C    C N N 394 
THR   O    O N N 395 
THR   CB   C N R 396 
THR   OG1  O N N 397 
THR   CG2  C N N 398 
THR   OXT  O N N 399 
THR   H    H N N 400 
THR   H2   H N N 401 
THR   HA   H N N 402 
THR   HB   H N N 403 
THR   HG1  H N N 404 
THR   HG21 H N N 405 
THR   HG22 H N N 406 
THR   HG23 H N N 407 
THR   HXT  H N N 408 
TRP   N    N N N 409 
TRP   CA   C N S 410 
TRP   C    C N N 411 
TRP   O    O N N 412 
TRP   CB   C N N 413 
TRP   CG   C Y N 414 
TRP   CD1  C Y N 415 
TRP   CD2  C Y N 416 
TRP   NE1  N Y N 417 
TRP   CE2  C Y N 418 
TRP   CE3  C Y N 419 
TRP   CZ2  C Y N 420 
TRP   CZ3  C Y N 421 
TRP   CH2  C Y N 422 
TRP   OXT  O N N 423 
TRP   H    H N N 424 
TRP   H2   H N N 425 
TRP   HA   H N N 426 
TRP   HB2  H N N 427 
TRP   HB3  H N N 428 
TRP   HD1  H N N 429 
TRP   HE1  H N N 430 
TRP   HE3  H N N 431 
TRP   HZ2  H N N 432 
TRP   HZ3  H N N 433 
TRP   HH2  H N N 434 
TRP   HXT  H N N 435 
TYR   N    N N N 436 
TYR   CA   C N S 437 
TYR   C    C N N 438 
TYR   O    O N N 439 
TYR   CB   C N N 440 
TYR   CG   C Y N 441 
TYR   CD1  C Y N 442 
TYR   CD2  C Y N 443 
TYR   CE1  C Y N 444 
TYR   CE2  C Y N 445 
TYR   CZ   C Y N 446 
TYR   OH   O N N 447 
TYR   OXT  O N N 448 
TYR   H    H N N 449 
TYR   H2   H N N 450 
TYR   HA   H N N 451 
TYR   HB2  H N N 452 
TYR   HB3  H N N 453 
TYR   HD1  H N N 454 
TYR   HD2  H N N 455 
TYR   HE1  H N N 456 
TYR   HE2  H N N 457 
TYR   HH   H N N 458 
TYR   HXT  H N N 459 
VAL   N    N N N 460 
VAL   CA   C N S 461 
VAL   C    C N N 462 
VAL   O    O N N 463 
VAL   CB   C N N 464 
VAL   CG1  C N N 465 
VAL   CG2  C N N 466 
VAL   OXT  O N N 467 
VAL   H    H N N 468 
VAL   H2   H N N 469 
VAL   HA   H N N 470 
VAL   HB   H N N 471 
VAL   HG11 H N N 472 
VAL   HG12 H N N 473 
VAL   HG13 H N N 474 
VAL   HG21 H N N 475 
VAL   HG22 H N N 476 
VAL   HG23 H N N 477 
VAL   HXT  H N N 478 
# 
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 
A1INQ C21 C22  sing N N 1   
A1INQ C21 C20  sing N N 2   
A1INQ C29 C28  sing N N 3   
A1INQ C29 C30  sing N N 4   
A1INQ C28 C27  sing N N 5   
A1INQ C22 C23  sing N N 6   
A1INQ C30 C31  sing N N 7   
A1INQ C23 C24  sing N N 8   
A1INQ C20 N4   sing N N 9   
A1INQ C20 C19  sing N N 10  
A1INQ N4  C25  sing N N 11  
A1INQ N4  C24  sing N N 12  
A1INQ O6  C25  doub N N 13  
A1INQ C25 C26  sing N N 14  
A1INQ C27 C26  sing N N 15  
A1INQ C27 C32  sing N N 16  
A1INQ O5  C19  doub N N 17  
A1INQ C19 O4   sing N N 18  
A1INQ C26 C4   sing N N 19  
A1INQ C31 C32  sing N N 20  
A1INQ O4  C18  sing N N 21  
A1INQ C4  C5   doub Y N 22  
A1INQ C4  C3   sing Y N 23  
A1INQ C5  C6   sing Y N 24  
A1INQ C18 C17  sing N N 25  
A1INQ C3  C2   doub Y N 26  
A1INQ C13 N1   sing Y N 27  
A1INQ C13 C14  doub Y N 28  
A1INQ C17 C16  sing N N 29  
A1INQ C11 C12  sing N N 30  
A1INQ C11 C9   sing N N 31  
A1INQ C12 N1   sing N N 32  
A1INQ C16 C15  sing N N 33  
A1INQ N1  N3   sing Y N 34  
A1INQ C15 C14  sing N N 35  
A1INQ C6  O3   sing N N 36  
A1INQ C6  C7   doub Y N 37  
A1INQ C14 N2   sing Y N 38  
A1INQ C2  C7   sing Y N 39  
A1INQ C2  O1   sing N N 40  
A1INQ C1  O1   sing N N 41  
A1INQ O3  C9   sing N N 42  
A1INQ C9  C10  sing N N 43  
A1INQ C7  O2   sing N N 44  
A1INQ N3  N2   doub Y N 45  
A1INQ O2  C8   sing N N 46  
A1INQ C5  H5   sing N N 47  
A1INQ C11 H14  sing N N 48  
A1INQ C11 H13  sing N N 49  
A1INQ C8  H7   sing N N 50  
A1INQ C8  H8   sing N N 51  
A1INQ C8  H6   sing N N 52  
A1INQ C9  H9   sing N N 53  
A1INQ C10 H12  sing N N 54  
A1INQ C10 H10  sing N N 55  
A1INQ C10 H11  sing N N 56  
A1INQ C12 H15  sing N N 57  
A1INQ C12 H16  sing N N 58  
A1INQ C13 H17  sing N N 59  
A1INQ C3  H4   sing N N 60  
A1INQ C1  H2   sing N N 61  
A1INQ C1  H3   sing N N 62  
A1INQ C1  H1   sing N N 63  
A1INQ C15 H19  sing N N 64  
A1INQ C15 H18  sing N N 65  
A1INQ C16 H21  sing N N 66  
A1INQ C16 H20  sing N N 67  
A1INQ C17 H23  sing N N 68  
A1INQ C17 H22  sing N N 69  
A1INQ C18 H25  sing N N 70  
A1INQ C18 H24  sing N N 71  
A1INQ C20 H26  sing N N 72  
A1INQ C21 H28  sing N N 73  
A1INQ C21 H27  sing N N 74  
A1INQ C22 H29  sing N N 75  
A1INQ C22 H30  sing N N 76  
A1INQ C23 H31  sing N N 77  
A1INQ C23 H32  sing N N 78  
A1INQ C24 H33  sing N N 79  
A1INQ C24 H34  sing N N 80  
A1INQ C26 H35  sing N N 81  
A1INQ C27 H36  sing N N 82  
A1INQ C28 H38  sing N N 83  
A1INQ C28 H37  sing N N 84  
A1INQ C29 H39  sing N N 85  
A1INQ C29 H40  sing N N 86  
A1INQ C30 H41  sing N N 87  
A1INQ C30 H42  sing N N 88  
A1INQ C31 H43  sing N N 89  
A1INQ C31 H44  sing N N 90  
A1INQ C32 H46  sing N N 91  
A1INQ C32 H45  sing N N 92  
ALA   N   CA   sing N N 93  
ALA   N   H    sing N N 94  
ALA   N   H2   sing N N 95  
ALA   CA  C    sing N N 96  
ALA   CA  CB   sing N N 97  
ALA   CA  HA   sing N N 98  
ALA   C   O    doub N N 99  
ALA   C   OXT  sing N N 100 
ALA   CB  HB1  sing N N 101 
ALA   CB  HB2  sing N N 102 
ALA   CB  HB3  sing N N 103 
ALA   OXT HXT  sing N N 104 
ARG   N   CA   sing N N 105 
ARG   N   H    sing N N 106 
ARG   N   H2   sing N N 107 
ARG   CA  C    sing N N 108 
ARG   CA  CB   sing N N 109 
ARG   CA  HA   sing N N 110 
ARG   C   O    doub N N 111 
ARG   C   OXT  sing N N 112 
ARG   CB  CG   sing N N 113 
ARG   CB  HB2  sing N N 114 
ARG   CB  HB3  sing N N 115 
ARG   CG  CD   sing N N 116 
ARG   CG  HG2  sing N N 117 
ARG   CG  HG3  sing N N 118 
ARG   CD  NE   sing N N 119 
ARG   CD  HD2  sing N N 120 
ARG   CD  HD3  sing N N 121 
ARG   NE  CZ   sing N N 122 
ARG   NE  HE   sing N N 123 
ARG   CZ  NH1  sing N N 124 
ARG   CZ  NH2  doub N N 125 
ARG   NH1 HH11 sing N N 126 
ARG   NH1 HH12 sing N N 127 
ARG   NH2 HH21 sing N N 128 
ARG   NH2 HH22 sing N N 129 
ARG   OXT HXT  sing N N 130 
ASN   N   CA   sing N N 131 
ASN   N   H    sing N N 132 
ASN   N   H2   sing N N 133 
ASN   CA  C    sing N N 134 
ASN   CA  CB   sing N N 135 
ASN   CA  HA   sing N N 136 
ASN   C   O    doub N N 137 
ASN   C   OXT  sing N N 138 
ASN   CB  CG   sing N N 139 
ASN   CB  HB2  sing N N 140 
ASN   CB  HB3  sing N N 141 
ASN   CG  OD1  doub N N 142 
ASN   CG  ND2  sing N N 143 
ASN   ND2 HD21 sing N N 144 
ASN   ND2 HD22 sing N N 145 
ASN   OXT HXT  sing N N 146 
ASP   N   CA   sing N N 147 
ASP   N   H    sing N N 148 
ASP   N   H2   sing N N 149 
ASP   CA  C    sing N N 150 
ASP   CA  CB   sing N N 151 
ASP   CA  HA   sing N N 152 
ASP   C   O    doub N N 153 
ASP   C   OXT  sing N N 154 
ASP   CB  CG   sing N N 155 
ASP   CB  HB2  sing N N 156 
ASP   CB  HB3  sing N N 157 
ASP   CG  OD1  doub N N 158 
ASP   CG  OD2  sing N N 159 
ASP   OD2 HD2  sing N N 160 
ASP   OXT HXT  sing N N 161 
CYS   N   CA   sing N N 162 
CYS   N   H    sing N N 163 
CYS   N   H2   sing N N 164 
CYS   CA  C    sing N N 165 
CYS   CA  CB   sing N N 166 
CYS   CA  HA   sing N N 167 
CYS   C   O    doub N N 168 
CYS   C   OXT  sing N N 169 
CYS   CB  SG   sing N N 170 
CYS   CB  HB2  sing N N 171 
CYS   CB  HB3  sing N N 172 
CYS   SG  HG   sing N N 173 
CYS   OXT HXT  sing N N 174 
GLN   N   CA   sing N N 175 
GLN   N   H    sing N N 176 
GLN   N   H2   sing N N 177 
GLN   CA  C    sing N N 178 
GLN   CA  CB   sing N N 179 
GLN   CA  HA   sing N N 180 
GLN   C   O    doub N N 181 
GLN   C   OXT  sing N N 182 
GLN   CB  CG   sing N N 183 
GLN   CB  HB2  sing N N 184 
GLN   CB  HB3  sing N N 185 
GLN   CG  CD   sing N N 186 
GLN   CG  HG2  sing N N 187 
GLN   CG  HG3  sing N N 188 
GLN   CD  OE1  doub N N 189 
GLN   CD  NE2  sing N N 190 
GLN   NE2 HE21 sing N N 191 
GLN   NE2 HE22 sing N N 192 
GLN   OXT HXT  sing N N 193 
GLU   N   CA   sing N N 194 
GLU   N   H    sing N N 195 
GLU   N   H2   sing N N 196 
GLU   CA  C    sing N N 197 
GLU   CA  CB   sing N N 198 
GLU   CA  HA   sing N N 199 
GLU   C   O    doub N N 200 
GLU   C   OXT  sing N N 201 
GLU   CB  CG   sing N N 202 
GLU   CB  HB2  sing N N 203 
GLU   CB  HB3  sing N N 204 
GLU   CG  CD   sing N N 205 
GLU   CG  HG2  sing N N 206 
GLU   CG  HG3  sing N N 207 
GLU   CD  OE1  doub N N 208 
GLU   CD  OE2  sing N N 209 
GLU   OE2 HE2  sing N N 210 
GLU   OXT HXT  sing N N 211 
GLY   N   CA   sing N N 212 
GLY   N   H    sing N N 213 
GLY   N   H2   sing N N 214 
GLY   CA  C    sing N N 215 
GLY   CA  HA2  sing N N 216 
GLY   CA  HA3  sing N N 217 
GLY   C   O    doub N N 218 
GLY   C   OXT  sing N N 219 
GLY   OXT HXT  sing N N 220 
HIS   N   CA   sing N N 221 
HIS   N   H    sing N N 222 
HIS   N   H2   sing N N 223 
HIS   CA  C    sing N N 224 
HIS   CA  CB   sing N N 225 
HIS   CA  HA   sing N N 226 
HIS   C   O    doub N N 227 
HIS   C   OXT  sing N N 228 
HIS   CB  CG   sing N N 229 
HIS   CB  HB2  sing N N 230 
HIS   CB  HB3  sing N N 231 
HIS   CG  ND1  sing Y N 232 
HIS   CG  CD2  doub Y N 233 
HIS   ND1 CE1  doub Y N 234 
HIS   ND1 HD1  sing N N 235 
HIS   CD2 NE2  sing Y N 236 
HIS   CD2 HD2  sing N N 237 
HIS   CE1 NE2  sing Y N 238 
HIS   CE1 HE1  sing N N 239 
HIS   NE2 HE2  sing N N 240 
HIS   OXT HXT  sing N N 241 
HOH   O   H1   sing N N 242 
HOH   O   H2   sing N N 243 
ILE   N   CA   sing N N 244 
ILE   N   H    sing N N 245 
ILE   N   H2   sing N N 246 
ILE   CA  C    sing N N 247 
ILE   CA  CB   sing N N 248 
ILE   CA  HA   sing N N 249 
ILE   C   O    doub N N 250 
ILE   C   OXT  sing N N 251 
ILE   CB  CG1  sing N N 252 
ILE   CB  CG2  sing N N 253 
ILE   CB  HB   sing N N 254 
ILE   CG1 CD1  sing N N 255 
ILE   CG1 HG12 sing N N 256 
ILE   CG1 HG13 sing N N 257 
ILE   CG2 HG21 sing N N 258 
ILE   CG2 HG22 sing N N 259 
ILE   CG2 HG23 sing N N 260 
ILE   CD1 HD11 sing N N 261 
ILE   CD1 HD12 sing N N 262 
ILE   CD1 HD13 sing N N 263 
ILE   OXT HXT  sing N N 264 
LEU   N   CA   sing N N 265 
LEU   N   H    sing N N 266 
LEU   N   H2   sing N N 267 
LEU   CA  C    sing N N 268 
LEU   CA  CB   sing N N 269 
LEU   CA  HA   sing N N 270 
LEU   C   O    doub N N 271 
LEU   C   OXT  sing N N 272 
LEU   CB  CG   sing N N 273 
LEU   CB  HB2  sing N N 274 
LEU   CB  HB3  sing N N 275 
LEU   CG  CD1  sing N N 276 
LEU   CG  CD2  sing N N 277 
LEU   CG  HG   sing N N 278 
LEU   CD1 HD11 sing N N 279 
LEU   CD1 HD12 sing N N 280 
LEU   CD1 HD13 sing N N 281 
LEU   CD2 HD21 sing N N 282 
LEU   CD2 HD22 sing N N 283 
LEU   CD2 HD23 sing N N 284 
LEU   OXT HXT  sing N N 285 
LYS   N   CA   sing N N 286 
LYS   N   H    sing N N 287 
LYS   N   H2   sing N N 288 
LYS   CA  C    sing N N 289 
LYS   CA  CB   sing N N 290 
LYS   CA  HA   sing N N 291 
LYS   C   O    doub N N 292 
LYS   C   OXT  sing N N 293 
LYS   CB  CG   sing N N 294 
LYS   CB  HB2  sing N N 295 
LYS   CB  HB3  sing N N 296 
LYS   CG  CD   sing N N 297 
LYS   CG  HG2  sing N N 298 
LYS   CG  HG3  sing N N 299 
LYS   CD  CE   sing N N 300 
LYS   CD  HD2  sing N N 301 
LYS   CD  HD3  sing N N 302 
LYS   CE  NZ   sing N N 303 
LYS   CE  HE2  sing N N 304 
LYS   CE  HE3  sing N N 305 
LYS   NZ  HZ1  sing N N 306 
LYS   NZ  HZ2  sing N N 307 
LYS   NZ  HZ3  sing N N 308 
LYS   OXT HXT  sing N N 309 
MET   N   CA   sing N N 310 
MET   N   H    sing N N 311 
MET   N   H2   sing N N 312 
MET   CA  C    sing N N 313 
MET   CA  CB   sing N N 314 
MET   CA  HA   sing N N 315 
MET   C   O    doub N N 316 
MET   C   OXT  sing N N 317 
MET   CB  CG   sing N N 318 
MET   CB  HB2  sing N N 319 
MET   CB  HB3  sing N N 320 
MET   CG  SD   sing N N 321 
MET   CG  HG2  sing N N 322 
MET   CG  HG3  sing N N 323 
MET   SD  CE   sing N N 324 
MET   CE  HE1  sing N N 325 
MET   CE  HE2  sing N N 326 
MET   CE  HE3  sing N N 327 
MET   OXT HXT  sing N N 328 
PHE   N   CA   sing N N 329 
PHE   N   H    sing N N 330 
PHE   N   H2   sing N N 331 
PHE   CA  C    sing N N 332 
PHE   CA  CB   sing N N 333 
PHE   CA  HA   sing N N 334 
PHE   C   O    doub N N 335 
PHE   C   OXT  sing N N 336 
PHE   CB  CG   sing N N 337 
PHE   CB  HB2  sing N N 338 
PHE   CB  HB3  sing N N 339 
PHE   CG  CD1  doub Y N 340 
PHE   CG  CD2  sing Y N 341 
PHE   CD1 CE1  sing Y N 342 
PHE   CD1 HD1  sing N N 343 
PHE   CD2 CE2  doub Y N 344 
PHE   CD2 HD2  sing N N 345 
PHE   CE1 CZ   doub Y N 346 
PHE   CE1 HE1  sing N N 347 
PHE   CE2 CZ   sing Y N 348 
PHE   CE2 HE2  sing N N 349 
PHE   CZ  HZ   sing N N 350 
PHE   OXT HXT  sing N N 351 
PRO   N   CA   sing N N 352 
PRO   N   CD   sing N N 353 
PRO   N   H    sing N N 354 
PRO   CA  C    sing N N 355 
PRO   CA  CB   sing N N 356 
PRO   CA  HA   sing N N 357 
PRO   C   O    doub N N 358 
PRO   C   OXT  sing N N 359 
PRO   CB  CG   sing N N 360 
PRO   CB  HB2  sing N N 361 
PRO   CB  HB3  sing N N 362 
PRO   CG  CD   sing N N 363 
PRO   CG  HG2  sing N N 364 
PRO   CG  HG3  sing N N 365 
PRO   CD  HD2  sing N N 366 
PRO   CD  HD3  sing N N 367 
PRO   OXT HXT  sing N N 368 
SER   N   CA   sing N N 369 
SER   N   H    sing N N 370 
SER   N   H2   sing N N 371 
SER   CA  C    sing N N 372 
SER   CA  CB   sing N N 373 
SER   CA  HA   sing N N 374 
SER   C   O    doub N N 375 
SER   C   OXT  sing N N 376 
SER   CB  OG   sing N N 377 
SER   CB  HB2  sing N N 378 
SER   CB  HB3  sing N N 379 
SER   OG  HG   sing N N 380 
SER   OXT HXT  sing N N 381 
THR   N   CA   sing N N 382 
THR   N   H    sing N N 383 
THR   N   H2   sing N N 384 
THR   CA  C    sing N N 385 
THR   CA  CB   sing N N 386 
THR   CA  HA   sing N N 387 
THR   C   O    doub N N 388 
THR   C   OXT  sing N N 389 
THR   CB  OG1  sing N N 390 
THR   CB  CG2  sing N N 391 
THR   CB  HB   sing N N 392 
THR   OG1 HG1  sing N N 393 
THR   CG2 HG21 sing N N 394 
THR   CG2 HG22 sing N N 395 
THR   CG2 HG23 sing N N 396 
THR   OXT HXT  sing N N 397 
TRP   N   CA   sing N N 398 
TRP   N   H    sing N N 399 
TRP   N   H2   sing N N 400 
TRP   CA  C    sing N N 401 
TRP   CA  CB   sing N N 402 
TRP   CA  HA   sing N N 403 
TRP   C   O    doub N N 404 
TRP   C   OXT  sing N N 405 
TRP   CB  CG   sing N N 406 
TRP   CB  HB2  sing N N 407 
TRP   CB  HB3  sing N N 408 
TRP   CG  CD1  doub Y N 409 
TRP   CG  CD2  sing Y N 410 
TRP   CD1 NE1  sing Y N 411 
TRP   CD1 HD1  sing N N 412 
TRP   CD2 CE2  doub Y N 413 
TRP   CD2 CE3  sing Y N 414 
TRP   NE1 CE2  sing Y N 415 
TRP   NE1 HE1  sing N N 416 
TRP   CE2 CZ2  sing Y N 417 
TRP   CE3 CZ3  doub Y N 418 
TRP   CE3 HE3  sing N N 419 
TRP   CZ2 CH2  doub Y N 420 
TRP   CZ2 HZ2  sing N N 421 
TRP   CZ3 CH2  sing Y N 422 
TRP   CZ3 HZ3  sing N N 423 
TRP   CH2 HH2  sing N N 424 
TRP   OXT HXT  sing N N 425 
TYR   N   CA   sing N N 426 
TYR   N   H    sing N N 427 
TYR   N   H2   sing N N 428 
TYR   CA  C    sing N N 429 
TYR   CA  CB   sing N N 430 
TYR   CA  HA   sing N N 431 
TYR   C   O    doub N N 432 
TYR   C   OXT  sing N N 433 
TYR   CB  CG   sing N N 434 
TYR   CB  HB2  sing N N 435 
TYR   CB  HB3  sing N N 436 
TYR   CG  CD1  doub Y N 437 
TYR   CG  CD2  sing Y N 438 
TYR   CD1 CE1  sing Y N 439 
TYR   CD1 HD1  sing N N 440 
TYR   CD2 CE2  doub Y N 441 
TYR   CD2 HD2  sing N N 442 
TYR   CE1 CZ   doub Y N 443 
TYR   CE1 HE1  sing N N 444 
TYR   CE2 CZ   sing Y N 445 
TYR   CE2 HE2  sing N N 446 
TYR   CZ  OH   sing N N 447 
TYR   OH  HH   sing N N 448 
TYR   OXT HXT  sing N N 449 
VAL   N   CA   sing N N 450 
VAL   N   H    sing N N 451 
VAL   N   H2   sing N N 452 
VAL   CA  C    sing N N 453 
VAL   CA  CB   sing N N 454 
VAL   CA  HA   sing N N 455 
VAL   C   O    doub N N 456 
VAL   C   OXT  sing N N 457 
VAL   CB  CG1  sing N N 458 
VAL   CB  CG2  sing N N 459 
VAL   CB  HB   sing N N 460 
VAL   CG1 HG11 sing N N 461 
VAL   CG1 HG12 sing N N 462 
VAL   CG1 HG13 sing N N 463 
VAL   CG2 HG21 sing N N 464 
VAL   CG2 HG22 sing N N 465 
VAL   CG2 HG23 sing N N 466 
VAL   OXT HXT  sing N N 467 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'German Federal Ministry for Education and Research' Germany 03VP08671 1 
'German Research Foundation (DFG)'                   Germany 525512762 2 
# 
_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   4TW7 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9GPQ 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.020407 
_atom_sites.fract_transf_matrix[1][2]   0.011782 
_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]   0.023564 
_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]   0.005119 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156   
H 1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030   
N 7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379 
O 8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508   
S 16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.0316   
# 
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_site.calc_flag 
ATOM   1    N N    . GLY   A 1 1   ? -2.821  4.406   3.654   1   34.411  ? 13  GLY   B N    1 ? 
ATOM   2    C CA   . GLY   A 1 1   ? -3.918  5.286   3.259   1   30.07   ? 13  GLY   B CA   1 ? 
ATOM   3    C C    . GLY   A 1 1   ? -5.251  4.552   3.377   1   28.879  ? 13  GLY   B C    1 ? 
ATOM   4    O O    . GLY   A 1 1   ? -5.37   3.546   4.065   1   26.407  ? 13  GLY   B O    1 ? 
ATOM   5    H H1   . GLY   A 1 1   ? -2.032  4.844   3.581   1   33.236  ? 13  GLY   B H1   1 c 
ATOM   6    H H2   . GLY   A 1 1   ? -2.801  3.676   3.12    1   33.305  ? 13  GLY   B H2   1 c 
ATOM   7    H H3   . GLY   A 1 1   ? -2.93   4.14    4.512   1   33.12   ? 13  GLY   B H3   1 c 
ATOM   8    H HA2  . GLY   A 1 1   ? -3.923  6.083   3.84    1   30.375  ? 13  GLY   B HA2  1 c 
ATOM   9    H HA3  . GLY   A 1 1   ? -3.781  5.582   2.329   1   30.543  ? 13  GLY   B HA3  1 c 
ATOM   10   N N    . ALA   A 1 2   ? -6.266  5.088   2.72    1   26.151  ? 14  ALA   B N    1 ? 
ATOM   11   C CA   . ALA   A 1 2   ? -7.61   4.579   2.928   1   24.366  ? 14  ALA   B CA   1 ? 
ATOM   12   C C    . ALA   A 1 2   ? -7.744  3.122   2.48    1   21.616  ? 14  ALA   B C    1 ? 
ATOM   13   O O    . ALA   A 1 2   ? -8.384  2.324   3.168   1   21.324  ? 14  ALA   B O    1 ? 
ATOM   14   C CB   . ALA   A 1 2   ? -8.649  5.487   2.307   1   24.868  ? 14  ALA   B CB   1 ? 
ATOM   15   H H    . ALA   A 1 2   ? -6.129  5.776   2.134   1   25.979  ? 14  ALA   B H    1 c 
ATOM   16   H HA   . ALA   A 1 2   ? -7.766  4.586   3.913   1   24.285  ? 14  ALA   B HA   1 c 
ATOM   17   H HB1  . ALA   A 1 2   ? -8.591  6.371   2.707   1   24.677  ? 14  ALA   B HB1  1 c 
ATOM   18   H HB2  . ALA   A 1 2   ? -8.494  5.558   1.351   1   24.827  ? 14  ALA   B HB2  1 c 
ATOM   19   H HB3  . ALA   A 1 2   ? -9.537  5.123   2.463   1   24.812  ? 14  ALA   B HB3  1 c 
ATOM   20   N N    . PRO   A 1 3   ? -7.166  2.67    1.344   1   21.888  ? 15  PRO   B N    1 ? 
ATOM   21   C CA   . PRO   A 1 3   ? -7.241  1.251   0.984   1   20.701  ? 15  PRO   B CA   1 ? 
ATOM   22   C C    . PRO   A 1 3   ? -6.66   0.348   2.071   1   20.255  ? 15  PRO   B C    1 ? 
ATOM   23   O O    . PRO   A 1 3   ? -7.302  -0.614  2.48    1   20.076  ? 15  PRO   B O    1 ? 
ATOM   24   C CB   . PRO   A 1 3   ? -6.473  1.166   -0.342  1   21.014  ? 15  PRO   B CB   1 ? 
ATOM   25   C CG   . PRO   A 1 3   ? -6.65   2.549   -0.908  1   23.447  ? 15  PRO   B CG   1 ? 
ATOM   26   C CD   . PRO   A 1 3   ? -6.521  3.467   0.283   1   22.738  ? 15  PRO   B CD   1 ? 
ATOM   27   H HA   . PRO   A 1 3   ? -8.177  1.008   0.829   1   20.974  ? 15  PRO   B HA   1 c 
ATOM   28   H HB2  . PRO   A 1 3   ? -5.529  0.965   -0.19   1   21.26   ? 15  PRO   B HB2  1 c 
ATOM   29   H HB3  . PRO   A 1 3   ? -6.86   0.491   -0.931  1   21.167  ? 15  PRO   B HB3  1 c 
ATOM   30   H HG2  . PRO   A 1 3   ? -5.96   2.746   -1.573  1   22.857  ? 15  PRO   B HG2  1 c 
ATOM   31   H HG3  . PRO   A 1 3   ? -7.53   2.646   -1.325  1   22.851  ? 15  PRO   B HG3  1 c 
ATOM   32   H HD2  . PRO   A 1 3   ? -5.586  3.648   0.499   1   22.719  ? 15  PRO   B HD2  1 c 
ATOM   33   H HD3  . PRO   A 1 3   ? -6.993  4.31    0.14    1   22.593  ? 15  PRO   B HD3  1 c 
ATOM   34   N N    . ALA   A 1 4   ? -5.491  0.709   2.621   1   21.351  ? 16  ALA   B N    1 ? 
ATOM   35   C CA   . ALA   A 1 4   ? -4.879  -0.119  3.635   1   21.785  ? 16  ALA   B CA   1 ? 
ATOM   36   C C    . ALA   A 1 4   ? -5.758  -0.159  4.889   1   20.834  ? 16  ALA   B C    1 ? 
ATOM   37   O O    . ALA   A 1 4   ? -5.83   -1.188  5.562   1   20.748  ? 16  ALA   B O    1 ? 
ATOM   38   C CB   . ALA   A 1 4   ? -3.473  0.362   3.923   1   22.734  ? 16  ALA   B CB   1 ? 
ATOM   39   H H    . ALA   A 1 4   ? -5.072  1.477   2.354   1   21.107  ? 16  ALA   B H    1 c 
ATOM   40   H HA   . ALA   A 1 4   ? -4.825  -1.047  3.275   1   21.717  ? 16  ALA   B HA   1 c 
ATOM   41   H HB1  . ALA   A 1 4   ? -2.936  0.307   3.115   1   22.534  ? 16  ALA   B HB1  1 c 
ATOM   42   H HB2  . ALA   A 1 4   ? -3.5    1.285   4.229   1   22.628  ? 16  ALA   B HB2  1 c 
ATOM   43   H HB3  . ALA   A 1 4   ? -3.073  -0.193  4.613   1   22.547  ? 16  ALA   B HB3  1 c 
ATOM   44   N N    . THR   A 1 5   ? -6.406  0.968   5.215   1   20.734  ? 17  THR   B N    1 ? 
ATOM   45   C CA   . THR   A 1 5   ? -7.26   1.017   6.396   1   20.451  ? 17  THR   B CA   1 ? 
ATOM   46   C C    . THR   A 1 5   ? -8.448  0.071   6.23    1   19.226  ? 17  THR   B C    1 ? 
ATOM   47   O O    . THR   A 1 5   ? -8.867  -0.601  7.158   1   20.357  ? 17  THR   B O    1 ? 
ATOM   48   C CB   . THR   A 1 5   ? -7.694  2.461   6.653   1   22.906  ? 17  THR   B CB   1 ? 
ATOM   49   O OG1  . THR   A 1 5   ? -6.494  3.135   7.045   1   24.938  ? 17  THR   B OG1  1 ? 
ATOM   50   C CG2  . THR   A 1 5   ? -8.741  2.553   7.752   1   22.846  ? 17  THR   B CG2  1 ? 
ATOM   51   H H    . THR   A 1 5   ? -6.307  1.72    4.705   1   20.68   ? 17  THR   B H    1 c 
ATOM   52   H HA   . THR   A 1 5   ? -6.731  0.715   7.167   1   20.637  ? 17  THR   B HA   1 c 
ATOM   53   H HB   . THR   A 1 5   ? -8.045  2.863   5.823   1   22.761  ? 17  THR   B HB   1 c 
ATOM   54   H HG1  . THR   A 1 5   ? -6.151  2.765   7.73    0   25.03   ? 17  THR   B HG1  1 c 
ATOM   55   H HG21 . THR   A 1 5   ? -8.931  3.487   7.941   1   22.868  ? 17  THR   B HG21 1 c 
ATOM   56   H HG22 . THR   A 1 5   ? -8.407  2.121   8.556   1   22.894  ? 17  THR   B HG22 1 c 
ATOM   57   H HG23 . THR   A 1 5   ? -9.558  2.112   7.463   1   22.874  ? 17  THR   B HG23 1 c 
ATOM   58   N N    . VAL   A 1 6   ? -9.009  -0.038  5.013   1   18.334  ? 18  VAL   B N    1 ? 
ATOM   59   C CA   . VAL   A 1 6   ? -10.084 -0.987  4.752   1   17.019  ? 18  VAL   B CA   1 ? 
ATOM   60   C C    . VAL   A 1 6   ? -9.569  -2.417  4.888   1   17.145  ? 18  VAL   B C    1 ? 
ATOM   61   O O    . VAL   A 1 6   ? -10.215 -3.281  5.487   1   17.73   ? 18  VAL   B O    1 ? 
ATOM   62   C CB   . VAL   A 1 6   ? -10.774 -0.765  3.388   1   16.979  ? 18  VAL   B CB   1 ? 
ATOM   63   C CG1  . VAL   A 1 6   ? -11.889 -1.782  3.237   1   17.736  ? 18  VAL   B CG1  1 ? 
ATOM   64   C CG2  . VAL   A 1 6   ? -11.3   0.651   3.204   1   20.191  ? 18  VAL   B CG2  1 ? 
ATOM   65   H H    . VAL   A 1 6   ? -8.712  0.492   4.33    1   18.288  ? 18  VAL   B H    1 c 
ATOM   66   H HA   . VAL   A 1 6   ? -10.76  -0.855  5.442   1   17.282  ? 18  VAL   B HA   1 c 
ATOM   67   H HB   . VAL   A 1 6   ? -10.103 -0.938  2.687   1   17.461  ? 18  VAL   B HB   1 c 
ATOM   68   H HG11 . VAL   A 1 6   ? -12.49  -1.721  3.999   1   17.593  ? 18  VAL   B HG11 1 c 
ATOM   69   H HG12 . VAL   A 1 6   ? -11.513 -2.677  3.192   1   17.57   ? 18  VAL   B HG12 1 c 
ATOM   70   H HG13 . VAL   A 1 6   ? -12.385 -1.6    2.42    1   17.556  ? 18  VAL   B HG13 1 c 
ATOM   71   H HG21 . VAL   A 1 6   ? -11.733 0.727   2.337   1   19.588  ? 18  VAL   B HG21 1 c 
ATOM   72   H HG22 . VAL   A 1 6   ? -10.565 1.282   3.253   1   19.32   ? 18  VAL   B HG22 1 c 
ATOM   73   H HG23 . VAL   A 1 6   ? -11.945 0.851   3.904   1   19.496  ? 18  VAL   B HG23 1 c 
ATOM   74   N N    . THR   A 1 7   ? -8.379  -2.693  4.352   1   17.938  ? 19  THR   B N    1 ? 
ATOM   75   C CA   . THR   A 1 7   ? -7.815  -4.028  4.52    1   18.993  ? 19  THR   B CA   1 ? 
ATOM   76   C C    . THR   A 1 7   ? -7.752  -4.412  6.003   1   20.221  ? 19  THR   B C    1 ? 
ATOM   77   O O    . THR   A 1 7   ? -8.112  -5.513  6.401   1   20.284  ? 19  THR   B O    1 ? 
ATOM   78   C CB   . THR   A 1 7   ? -6.407  -4.063  3.945   1   19.494  ? 19  THR   B CB   1 ? 
ATOM   79   O OG1  . THR   A 1 7   ? -6.492  -3.941  2.538   1   20.878  ? 19  THR   B OG1  1 ? 
ATOM   80   C CG2  . THR   A 1 7   ? -5.688  -5.339  4.314   1   21.618  ? 19  THR   B CG2  1 ? 
ATOM   81   H H    . THR   A 1 7   ? -7.919  -2.061  3.879   1   17.823  ? 19  THR   B H    1 c 
ATOM   82   H HA   . THR   A 1 7   ? -8.376  -4.675  4.04    1   18.969  ? 19  THR   B HA   1 c 
ATOM   83   H HB   . THR   A 1 7   ? -5.891  -3.301  4.302   1   19.893  ? 19  THR   B HB   1 c 
ATOM   84   H HG1  . THR   A 1 7   ? -6.959  -4.6    2.214   0   20.97   ? 19  THR   B HG1  1 c 
ATOM   85   H HG21 . THR   A 1 7   ? -4.839  -5.38   3.84    1   21.182  ? 19  THR   B HG21 1 c 
ATOM   86   H HG22 . THR   A 1 7   ? -6.234  -6.103  4.064   1   21.172  ? 19  THR   B HG22 1 c 
ATOM   87   H HG23 . THR   A 1 7   ? -5.522  -5.358  5.271   1   21.21   ? 19  THR   B HG23 1 c 
ATOM   88   N N    . GLU   A 1 8   ? -7.251  -3.488  6.817   1   19.82   ? 20  GLU   B N    1 ? 
ATOM   89   C CA   . GLU   A 1 8   ? -7.024  -3.745  8.232   1   21.269  ? 20  GLU   B CA   1 ? 
ATOM   90   C C    . GLU   A 1 8   ? -8.317  -3.789  9.051   1   21.041  ? 20  GLU   B C    1 ? 
ATOM   91   O O    . GLU   A 1 8   ? -8.394  -4.598  9.98    1   22.555  ? 20  GLU   B O    1 ? 
ATOM   92   C CB   . GLU   A 1 8   ? -6.052  -2.673  8.733   1   23.461  ? 20  GLU   B CB   1 ? 
ATOM   93   C CG   . GLU   A 1 8   ? -4.622  -2.841  8.184   1   30.804  ? 20  GLU   B CG   1 ? 
ATOM   94   C CD   . GLU   A 1 8   ? -3.648  -1.693  8.475   1   35.728  ? 20  GLU   B CD   1 ? 
ATOM   95   O OE1  . GLU   A 1 8   ? -3.847  -1.071  9.544   1   45.011  ? 20  GLU   B OE1  1 ? 
ATOM   96   O OE2  . GLU   A 1 8   ? -2.67   -1.437  7.717   1   41.534  ? 20  GLU   B OE2  1 ? 
ATOM   97   H H    . GLU   A 1 8   ? -7.037  -2.665  6.48    1   20.21   ? 20  GLU   B H    1 c 
ATOM   98   H HA   . GLU   A 1 8   ? -6.576  -4.625  8.315   1   21.148  ? 20  GLU   B HA   1 c 
ATOM   99   H HB2  . GLU   A 1 8   ? -6.395  -1.789  8.483   1   23.922  ? 20  GLU   B HB2  1 c 
ATOM   100  H HB3  . GLU   A 1 8   ? -6.019  -2.713  9.711   1   23.596  ? 20  GLU   B HB3  1 c 
ATOM   101  H HG2  . GLU   A 1 8   ? -4.243  -3.659  8.564   1   29.891  ? 20  GLU   B HG2  1 c 
ATOM   102  H HG3  . GLU   A 1 8   ? -4.67   -2.963  7.212   1   29.82   ? 20  GLU   B HG3  1 c 
ATOM   103  N N    . GLN   A 1 9   ? -9.297  -2.934  8.742   1   19.197  ? 21  GLN   B N    1 ? 
ATOM   104  C CA   . GLN   A 1 9   ? -10.385 -2.679  9.675   1   20.161  ? 21  GLN   B CA   1 ? 
ATOM   105  C C    . GLN   A 1 9   ? -11.756 -2.937  9.045   1   18.755  ? 21  GLN   B C    1 ? 
ATOM   106  O O    . GLN   A 1 9   ? -12.782 -2.922  9.746   1   20.733  ? 21  GLN   B O    1 ? 
ATOM   107  C CB   . GLN   A 1 9   ? -10.402 -1.224  10.127  1   20.878  ? 21  GLN   B CB   1 ? 
ATOM   108  C CG   . GLN   A 1 9   ? -9.075  -0.796  10.735  1   23.371  ? 21  GLN   B CG   1 ? 
ATOM   109  C CD   . GLN   A 1 9   ? -9.08   0.657   11.165  1   25.501  ? 21  GLN   B CD   1 ? 
ATOM   110  O OE1  . GLN   A 1 9   ? -10.12  1.312   11.217  1   29.127  ? 21  GLN   B OE1  1 ? 
ATOM   111  N NE2  . GLN   A 1 9   ? -7.919  1.155   11.527  1   32.453  ? 21  GLN   B NE2  1 ? 
ATOM   112  H H    . GLN   A 1 9   ? -9.275  -2.483  7.947   1   19.505  ? 21  GLN   B H    1 c 
ATOM   113  H HA   . GLN   A 1 9   ? -10.278 -3.266  10.465  1   19.974  ? 21  GLN   B HA   1 c 
ATOM   114  H HB2  . GLN   A 1 9   ? -10.604 -0.651  9.358   1   21.025  ? 21  GLN   B HB2  1 c 
ATOM   115  H HB3  . GLN   A 1 9   ? -11.115 -1.103  10.789  1   21.076  ? 21  GLN   B HB3  1 c 
ATOM   116  H HG2  . GLN   A 1 9   ? -8.878  -1.358  11.515  1   23.334  ? 21  GLN   B HG2  1 c 
ATOM   117  H HG3  . GLN   A 1 9   ? -8.357  -0.929  10.08   1   23.285  ? 21  GLN   B HG3  1 c 
ATOM   118  H HE21 . GLN   A 1 9   ? -7.863  2       11.792  1   30.333  ? 21  GLN   B HE21 1 c 
ATOM   119  H HE22 . GLN   A 1 9   ? -7.192  0.647   11.507  1   30.39   ? 21  GLN   B HE22 1 c 
ATOM   120  N N    . GLY   A 1 10  ? -11.813 -3.185  7.717   1   17.197  ? 22  GLY   B N    1 ? 
ATOM   121  C CA   . GLY   A 1 10  ? -13.116 -3.305  7.084   1   16.879  ? 22  GLY   B CA   1 ? 
ATOM   122  C C    . GLY   A 1 10  ? -13.86  -4.599  7.414   1   16.264  ? 22  GLY   B C    1 ? 
ATOM   123  O O    . GLY   A 1 10  ? -13.284 -5.646  7.689   1   16.869  ? 22  GLY   B O    1 ? 
ATOM   124  H H    . GLY   A 1 10  ? -11.056 -3.288  7.217   1   17.565  ? 22  GLY   B H    1 c 
ATOM   125  H HA2  . GLY   A 1 10  ? -13.669 -2.536  7.358   1   16.751  ? 22  GLY   B HA2  1 c 
ATOM   126  H HA3  . GLY   A 1 10  ? -12.994 -3.248  6.107   1   16.98   ? 22  GLY   B HA3  1 c 
ATOM   127  N N    . GLU   A 1 11  ? -15.167 -4.498  7.338   1   15.576  ? 23  GLU   B N    1 ? 
ATOM   128  C CA   . GLU   A 1 11  ? -16.064 -5.632  7.46    1   17.242  ? 23  GLU   B CA   1 ? 
ATOM   129  C C    . GLU   A 1 11  ? -16.156 -6.394  6.146   1   15.707  ? 23  GLU   B C    1 ? 
ATOM   130  O O    . GLU   A 1 11  ? -16.328 -5.79   5.099   1   16.109  ? 23  GLU   B O    1 ? 
ATOM   131  C CB   . GLU   A 1 11  ? -17.411 -5.08   7.922   1   17.246  ? 23  GLU   B CB   1 ? 
ATOM   132  C CG   . GLU   A 1 11  ? -18.491 -6.145  8.017   1   20.886  ? 23  GLU   B CG   1 ? 
ATOM   133  C CD   . GLU   A 1 11  ? -19.859 -5.592  8.357   1   23.704  ? 23  GLU   B CD   1 ? 
ATOM   134  O OE1  . GLU   A 1 11  ? -20.027 -4.395  8.622   1   33.174  ? 23  GLU   B OE1  1 ? 
ATOM   135  O OE2  . GLU   A 1 11  ? -20.765 -6.435  8.434   1   28.647  ? 23  GLU   B OE2  1 ? 
ATOM   136  H H    . GLU   A 1 11  ? -15.532 -3.672  7.197   1   15.973  ? 23  GLU   B H    1 c 
ATOM   137  H HA   . GLU   A 1 11  ? -15.711 -6.237  8.161   1   16.658  ? 23  GLU   B HA   1 c 
ATOM   138  H HB2  . GLU   A 1 11  ? -17.298 -4.656  8.798   1   17.735  ? 23  GLU   B HB2  1 c 
ATOM   139  H HB3  . GLU   A 1 11  ? -17.703 -4.389  7.291   1   17.721  ? 23  GLU   B HB3  1 c 
ATOM   140  H HG2  . GLU   A 1 11  ? -18.553 -6.621  7.163   1   20.233  ? 23  GLU   B HG2  1 c 
ATOM   141  H HG3  . GLU   A 1 11  ? -18.238 -6.797  8.705   1   20.413  ? 23  GLU   B HG3  1 c 
ATOM   142  N N    . ASP   A 1 12  ? -16.127 -7.696  6.218   1   15.011  ? 24  ASP   B N    1 ? 
ATOM   143  C CA   . ASP   A 1 12  ? -16.352 -8.577  5.088   1   14.618  ? 24  ASP   B CA   1 ? 
ATOM   144  C C    . ASP   A 1 12  ? -17.845 -8.733  4.884   1   15.798  ? 24  ASP   B C    1 ? 
ATOM   145  O O    . ASP   A 1 12  ? -18.547 -9.373  5.681   1   17.799  ? 24  ASP   B O    1 ? 
ATOM   146  C CB   . ASP   A 1 12  ? -15.718 -9.933  5.314   1   15.324  ? 24  ASP   B CB   1 ? 
ATOM   147  C CG   . ASP   A 1 12  ? -15.761 -10.878 4.112   1   15.551  ? 24  ASP   B CG   1 ? 
ATOM   148  O OD1  . ASP   A 1 12  ? -16.468 -10.541 3.122   1   16.233  ? 24  ASP   B OD1  1 ? 
ATOM   149  O OD2  . ASP   A 1 12  ? -15.172 -11.976 4.192   1   16.84   ? 24  ASP   B OD2  1 ? 
ATOM   150  H H    . ASP   A 1 12  ? -15.955 -8.08   7.029   1   14.852  ? 24  ASP   B H    1 c 
ATOM   151  H HA   . ASP   A 1 12  ? -15.955 -8.172  4.285   1   14.946  ? 24  ASP   B HA   1 c 
ATOM   152  H HB2  . ASP   A 1 12  ? -14.779 -9.8    5.56    1   15.202  ? 24  ASP   B HB2  1 c 
ATOM   153  H HB3  . ASP   A 1 12  ? -16.164 -10.374 6.067   1   15.252  ? 24  ASP   B HB3  1 c 
ATOM   154  N N    . ILE   A 1 13  ? -18.359 -8.147  3.807   1   15.835  ? 25  ILE   B N    1 ? 
ATOM   155  C CA   . ILE   A 1 13  ? -19.793 -8.165  3.522   1   15.326  ? 25  ILE   B CA   1 ? 
ATOM   156  C C    . ILE   A 1 13  ? -20.152 -9.187  2.447   1   17.78   ? 25  ILE   B C    1 ? 
ATOM   157  O O    . ILE   A 1 13  ? -21.282 -9.183  1.963   1   19.041  ? 25  ILE   B O    1 ? 
ATOM   158  C CB   . ILE   A 1 13  ? -20.302 -6.75   3.229   1   16.521  ? 25  ILE   B CB   1 ? 
ATOM   159  C CG1  . ILE   A 1 13  ? -19.659 -6.152  1.959   1   17.233  ? 25  ILE   B CG1  1 ? 
ATOM   160  C CG2  . ILE   A 1 13  ? -20.147 -5.855  4.459   1   17.232  ? 25  ILE   B CG2  1 ? 
ATOM   161  C CD1  . ILE   A 1 13  ? -20.358 -4.896  1.461   1   17.852  ? 25  ILE   B CD1  1 ? 
ATOM   162  H H    . ILE   A 1 13  ? -17.801 -7.725  3.219   1   15.767  ? 25  ILE   B H    1 c 
ATOM   163  H HA   . ILE   A 1 13  ? -20.24  -8.453  4.341   1   15.948  ? 25  ILE   B HA   1 c 
ATOM   164  H HB   . ILE   A 1 13  ? -21.261 -6.824  3.052   1   16.492  ? 25  ILE   B HB   1 c 
ATOM   165  H HG12 . ILE   A 1 13  ? -18.724 -5.937  2.15    1   17.315  ? 25  ILE   B HG12 1 c 
ATOM   166  H HG13 . ILE   A 1 13  ? -19.674 -6.824  1.248   1   17.298  ? 25  ILE   B HG13 1 c 
ATOM   167  H HG21 . ILE   A 1 13  ? -20.52  -4.978  4.275   1   17.069  ? 25  ILE   B HG21 1 c 
ATOM   168  H HG22 . ILE   A 1 13  ? -19.204 -5.764  4.679   1   17.125  ? 25  ILE   B HG22 1 c 
ATOM   169  H HG23 . ILE   A 1 13  ? -20.616 -6.253  5.211   1   17.142  ? 25  ILE   B HG23 1 c 
ATOM   170  H HD11 . ILE   A 1 13  ? -21.297 -5.096  1.284   1   17.68   ? 25  ILE   B HD11 1 c 
ATOM   171  H HD12 . ILE   A 1 13  ? -19.932 -4.591  0.638   1   17.811  ? 25  ILE   B HD12 1 c 
ATOM   172  H HD13 . ILE   A 1 13  ? -20.299 -4.194  2.135   1   17.667  ? 25  ILE   B HD13 1 c 
ATOM   173  N N    . THR   A 1 14  ? -19.234 -10.09  2.121   1   17.208  ? 26  THR   B N    1 ? 
ATOM   174  C CA   . THR   A 1 14  ? -19.529 -11.152 1.168   1   17.345  ? 26  THR   B CA   1 ? 
ATOM   175  C C    . THR   A 1 14  ? -20.304 -12.26  1.856   1   17.948  ? 26  THR   B C    1 ? 
ATOM   176  O O    . THR   A 1 14  ? -20.051 -12.588 3.007   1   20.883  ? 26  THR   B O    1 ? 
ATOM   177  C CB   . THR   A 1 14  ? -18.289 -11.719 0.471   1   15.919  ? 26  THR   B CB   1 ? 
ATOM   178  O OG1  . THR   A 1 14  ? -17.438 -12.359 1.423   1   17.18   ? 26  THR   B OG1  1 ? 
ATOM   179  C CG2  . THR   A 1 14  ? -17.533 -10.633 -0.264  1   16.768  ? 26  THR   B CG2  1 ? 
ATOM   180  H H    . THR   A 1 14  ? -18.402 -10.051 2.494   1   17.179  ? 26  THR   B H    1 c 
ATOM   181  H HA   . THR   A 1 14  ? -20.106 -10.77  0.471   1   17.281  ? 26  THR   B HA   1 c 
ATOM   182  H HB   . THR   A 1 14  ? -18.58  -12.388 -0.193  1   16.329  ? 26  THR   B HB   1 c 
ATOM   183  H HG1  . THR   A 1 14  ? -17.195 -11.798 2.022   0   17.32   ? 26  THR   B HG1  1 c 
ATOM   184  H HG21 . THR   A 1 14  ? -16.751 -11.016 -0.696  1   16.514  ? 26  THR   B HG21 1 c 
ATOM   185  H HG22 . THR   A 1 14  ? -17.251 -9.95   0.366   1   16.647  ? 26  THR   B HG22 1 c 
ATOM   186  H HG23 . THR   A 1 14  ? -18.11  -10.234 -0.937  1   16.555  ? 26  THR   B HG23 1 c 
ATOM   187  N N    . SER   A 1 15  ? -21.172 -12.93  1.099   1   19.407  ? 27  SER   B N    1 ? 
ATOM   188  C CA   . SER   A 1 15  ? -21.868 -14.106 1.601   1   19.465  ? 27  SER   B CA   1 ? 
ATOM   189  C C    . SER   A 1 15  ? -20.909 -15.255 1.868   1   18.238  ? 27  SER   B C    1 ? 
ATOM   190  O O    . SER   A 1 15  ? -21.084 -16.029 2.82    1   22.357  ? 27  SER   B O    1 ? 
ATOM   191  C CB   . SER   A 1 15  ? -22.958 -14.52  0.672   1   21.173  ? 27  SER   B CB   1 ? 
ATOM   192  O OG   . SER   A 1 15  ? -23.926 -13.481 0.587   1   25.511  ? 27  SER   B OG   1 ? 
ATOM   193  H H    . SER   A 1 15  ? -21.335 -12.652 0.244   1   18.983  ? 27  SER   B H    1 c 
ATOM   194  H HA   . SER   A 1 15  ? -22.286 -13.859 2.465   1   19.282  ? 27  SER   B HA   1 c 
ATOM   195  H HB2  . SER   A 1 15  ? -22.585 -14.695 -0.213  1   21.508  ? 27  SER   B HB2  1 c 
ATOM   196  H HB3  . SER   A 1 15  ? -23.378 -15.336 1.001   1   21.308  ? 27  SER   B HB3  1 c 
ATOM   197  H HG   . SER   A 1 15  ? -24.538 -13.711 0.042   0   25.3    ? 27  SER   B HG   1 c 
ATOM   198  N N    . LYS   A 1 16  ? -19.924 -15.427 0.978   1   19.951  ? 28  LYS   B N    1 ? 
ATOM   199  C CA   . LYS   A 1 16  ? -18.955 -16.51  1.106   1   20.038  ? 28  LYS   B CA   1 ? 
ATOM   200  C C    . LYS   A 1 16  ? -17.899 -16.243 2.184   1   19.89   ? 28  LYS   B C    1 ? 
ATOM   201  O O    . LYS   A 1 16  ? -17.137 -17.141 2.528   1   23.478  ? 28  LYS   B O    1 ? 
ATOM   202  C CB   . LYS   A 1 16  ? -18.236 -16.749 -0.227  1   21.986  ? 28  LYS   B CB   1 ? 
ATOM   203  C CG   . LYS   A 1 16  ? -19.121 -17.354 -1.332  1   24.902  ? 28  LYS   B CG   1 ? 
ATOM   204  C CD   . LYS   A 1 16  ? -18.458 -17.517 -2.696  1   29.545  ? 28  LYS   B CD   1 ? 
ATOM   205  H H    . LYS   A 1 16  ? -19.855 -14.857 0.266   1   19.572  ? 28  LYS   B H    1 c 
ATOM   206  H HA   . LYS   A 1 16  ? -19.445 -17.337 1.347   1   20.153  ? 28  LYS   B HA   1 c 
ATOM   207  H HB2  . LYS   A 1 16  ? -17.878 -15.894 -0.549  1   21.914  ? 28  LYS   B HB2  1 c 
ATOM   208  H HB3  . LYS   A 1 16  ? -17.477 -17.351 -0.074  1   21.995  ? 28  LYS   B HB3  1 c 
ATOM   209  H HG2  . LYS   A 1 16  ? -19.431 -18.234 -1.027  1   24.994  ? 28  LYS   B HG2  1 c 
ATOM   210  H HG3  . LYS   A 1 16  ? -19.914 -16.785 -1.435  1   24.537  ? 28  LYS   B HG3  1 c 
ATOM   211  H HD2  . LYS   A 1 16  ? -17.455 -17.484 -2.548  0   29.51   ? 28  LYS   B HD2  1 c 
ATOM   212  H HD3  . LYS   A 1 16  ? -19.118 -17.58  -3.369  0   29.51   ? 28  LYS   B HD3  1 c 
ATOM   213  N N    . LYS   A 1 17  ? -17.814 -15.006 2.683   1   18.528  ? 29  LYS   B N    1 ? 
ATOM   214  C CA   . LYS   A 1 17  ? -16.779 -14.616 3.648   1   19.572  ? 29  LYS   B CA   1 ? 
ATOM   215  C C    . LYS   A 1 17  ? -15.376 -14.905 3.11    1   19.996  ? 29  LYS   B C    1 ? 
ATOM   216  O O    . LYS   A 1 17  ? -14.487 -15.432 3.794   1   21.596  ? 29  LYS   B O    1 ? 
ATOM   217  C CB   . LYS   A 1 17  ? -17.048 -15.203 5.038   1   22.76   ? 29  LYS   B CB   1 ? 
ATOM   218  C CG   . LYS   A 1 17  ? -18.331 -14.675 5.668   1   25.117  ? 29  LYS   B CG   1 ? 
ATOM   219  C CD   . LYS   A 1 17  ? -18.244 -13.195 5.993   1   26.511  ? 29  LYS   B CD   1 ? 
ATOM   220  C CE   . LYS   A 1 17  ? -19.441 -12.678 6.757   1   31.529  ? 29  LYS   B CE   1 ? 
ATOM   221  N NZ   . LYS   A 1 17  ? -20.579 -12.509 5.832   1   37.448  ? 29  LYS   B NZ   1 ? 
ATOM   222  H H    . LYS   A 1 17  ? -18.413 -14.372 2.412   1   18.749  ? 29  LYS   B H    1 c 
ATOM   223  H HA   . LYS   A 1 17  ? -16.843 -13.636 3.749   1   19.919  ? 29  LYS   B HA   1 c 
ATOM   224  H HB2  . LYS   A 1 17  ? -17.109 -16.18  4.971   1   22.315  ? 29  LYS   B HB2  1 c 
ATOM   225  H HB3  . LYS   A 1 17  ? -16.296 -14.987 5.63    1   22.463  ? 29  LYS   B HB3  1 c 
ATOM   226  H HG2  . LYS   A 1 17  ? -19.076 -14.828 5.047   1   24.833  ? 29  LYS   B HG2  1 c 
ATOM   227  H HG3  . LYS   A 1 17  ? -18.51  -15.178 6.492   1   24.635  ? 29  LYS   B HG3  1 c 
ATOM   228  H HD2  . LYS   A 1 17  ? -17.433 -13.034 6.524   1   27.109  ? 29  LYS   B HD2  1 c 
ATOM   229  H HD3  . LYS   A 1 17  ? -18.159 -12.688 5.157   1   26.936  ? 29  LYS   B HD3  1 c 
ATOM   230  H HE2  . LYS   A 1 17  ? -19.686 -13.307 7.459   1   31.394  ? 29  LYS   B HE2  1 c 
ATOM   231  H HE3  . LYS   A 1 17  ? -19.229 -11.82  7.168   1   31.312  ? 29  LYS   B HE3  1 c 
ATOM   232  H HZ1  . LYS   A 1 17  ? -20.8   -13.305 5.463   1   35.604  ? 29  LYS   B HZ1  1 c 
ATOM   233  H HZ2  . LYS   A 1 17  ? -20.358 -11.926 5.175   1   35.903  ? 29  LYS   B HZ2  1 c 
ATOM   234  H HZ3  . LYS   A 1 17  ? -21.293 -12.186 6.286   1   35.652  ? 29  LYS   B HZ3  1 c 
ATOM   235  N N    . ASP   A 1 18  ? -15.136 -14.405 1.897   1   17.887  ? 30  ASP   B N    1 ? 
ATOM   236  C CA   . ASP   A 1 18  ? -13.859 -14.553 1.217   1   17.352  ? 30  ASP   B CA   1 ? 
ATOM   237  C C    . ASP   A 1 18  ? -13.089 -13.236 1.16    1   17.256  ? 30  ASP   B C    1 ? 
ATOM   238  O O    . ASP   A 1 18  ? -12.111 -13.103 0.406   1   18.718  ? 30  ASP   B O    1 ? 
ATOM   239  C CB   . ASP   A 1 18  ? -14.084 -15.125 -0.187  1   18.884  ? 30  ASP   B CB   1 ? 
ATOM   240  C CG   . ASP   A 1 18  ? -14.954 -14.274 -1.102  1   17.582  ? 30  ASP   B CG   1 ? 
ATOM   241  O OD1  . ASP   A 1 18  ? -15.151 -13.07  -0.784  1   17.668  ? 30  ASP   B OD1  1 ? 
ATOM   242  O OD2  . ASP   A 1 18  ? -15.513 -14.83  -2.093  1   20.174  ? 30  ASP   B OD2  1 ? 
ATOM   243  H H    . ASP   A 1 18  ? -15.8   -13.939 1.476   1   17.991  ? 30  ASP   B H    1 c 
ATOM   244  H HA   . ASP   A 1 18  ? -13.317 -15.207 1.713   1   17.737  ? 30  ASP   B HA   1 c 
ATOM   245  H HB2  . ASP   A 1 18  ? -13.215 -15.252 -0.621  1   18.472  ? 30  ASP   B HB2  1 c 
ATOM   246  H HB3  . ASP   A 1 18  ? -14.506 -16.005 -0.1    1   18.374  ? 30  ASP   B HB3  1 c 
ATOM   247  N N    . ARG   A 1 19  ? -13.511 -12.252 1.922   1   16.126  ? 31  ARG   B N    1 ? 
ATOM   248  C CA   . ARG   A 1 19  ? -12.869 -10.928 1.974   1   16.508  ? 31  ARG   B CA   1 ? 
ATOM   249  C C    . ARG   A 1 19  ? -12.859 -10.218 0.609   1   16.386  ? 31  ARG   B C    1 ? 
ATOM   250  O O    . ARG   A 1 19  ? -12.11  -9.272  0.406   1   16.784  ? 31  ARG   B O    1 ? 
ATOM   251  C CB   . ARG   A 1 19  ? -11.491 -10.916 2.633   1   17.566  ? 31  ARG   B CB   1 ? 
ATOM   252  C CG   . ARG   A 1 19  ? -11.563 -11.26  4.109   1   18.602  ? 31  ARG   B CG   1 ? 
ATOM   253  C CD   . ARG   A 1 19  ? -10.202 -11.33  4.765   1   18.825  ? 31  ARG   B CD   1 ? 
ATOM   254  N NE   . ARG   A 1 19  ? -9.351  -10.161 4.571   1   21.271  ? 31  ARG   B NE   1 ? 
ATOM   255  C CZ   . ARG   A 1 19  ? -9.378  -9.016  5.244   1   20.987  ? 31  ARG   B CZ   1 ? 
ATOM   256  N NH1  . ARG   A 1 19  ? -10.239 -8.832  6.218   1   21.718  ? 31  ARG   B NH1  1 ? 
ATOM   257  N NH2  . ARG   A 1 19  ? -8.512  -8.05   4.929   1   21.733  ? 31  ARG   B NH2  1 ? 
ATOM   258  H H    . ARG   A 1 19  ? -14.239 -12.394 2.454   1   16.505  ? 31  ARG   B H    1 c 
ATOM   259  H HA   . ARG   A 1 19  ? -13.432 -10.37  2.568   1   16.625  ? 31  ARG   B HA   1 c 
ATOM   260  H HB2  . ARG   A 1 19  ? -10.909 -11.563 2.18    1   17.476  ? 31  ARG   B HB2  1 c 
ATOM   261  H HB3  . ARG   A 1 19  ? -11.09  -10.026 2.532   1   17.422  ? 31  ARG   B HB3  1 c 
ATOM   262  H HG2  . ARG   A 1 19  ? -12.105 -10.584 4.571   1   18.463  ? 31  ARG   B HG2  1 c 
ATOM   263  H HG3  . ARG   A 1 19  ? -12.012 -12.127 4.215   1   18.542  ? 31  ARG   B HG3  1 c 
ATOM   264  H HD2  . ARG   A 1 19  ? -10.328 -11.475 5.724   1   19.074  ? 31  ARG   B HD2  1 c 
ATOM   265  H HD3  . ARG   A 1 19  ? -9.738  -12.116 4.412   1   19.197  ? 31  ARG   B HD3  1 c 
ATOM   266  H HE   . ARG   A 1 19  ? -8.754  -10.219 3.94    1   20.918  ? 31  ARG   B HE   1 c 
ATOM   267  H HH11 . ARG   A 1 19  ? -10.871 -9.428  6.379   1   21.728  ? 31  ARG   B HH11 1 c 
ATOM   268  H HH12 . ARG   A 1 19  ? -10.187 -8.102  6.714   1   21.579  ? 31  ARG   B HH12 1 c 
ATOM   269  H HH21 . ARG   A 1 19  ? -7.917  -8.18   4.289   1   21.663  ? 31  ARG   B HH21 1 c 
ATOM   270  H HH22 . ARG   A 1 19  ? -8.535  -7.28   5.363   1   21.583  ? 31  ARG   B HH22 1 c 
ATOM   271  N N    . GLY   A 1 20  ? -13.81  -10.608 -0.255  1   15.352  ? 32  GLY   B N    1 ? 
ATOM   272  C CA   . GLY   A 1 20  ? -13.836 -10.076 -1.597  1   15.101  ? 32  GLY   B CA   1 ? 
ATOM   273  C C    . GLY   A 1 20  ? -14.363 -8.647  -1.695  1   14.907  ? 32  GLY   B C    1 ? 
ATOM   274  O O    . GLY   A 1 20  ? -14.056 -7.92   -2.649  1   15.291  ? 32  GLY   B O    1 ? 
ATOM   275  H H    . GLY   A 1 20  ? -14.459 -11.197 0.004   1   15.565  ? 32  GLY   B H    1 c 
ATOM   276  H HA2  . GLY   A 1 20  ? -12.923 -10.106 -1.965  1   15.139  ? 32  GLY   B HA2  1 c 
ATOM   277  H HA3  . GLY   A 1 20  ? -14.396 -10.662 -2.153  1   15.252  ? 32  GLY   B HA3  1 c 
ATOM   278  N N    . VAL   A 1 21  ? -15.144 -8.226  -0.698  1   15.057  ? 33  VAL   B N    1 ? 
ATOM   279  C CA   . VAL   A 1 21  ? -15.713 -6.898  -0.584  1   14.335  ? 33  VAL   B CA   1 ? 
ATOM   280  C C    . VAL   A 1 21  ? -15.635 -6.51   0.889   1   14.913  ? 33  VAL   B C    1 ? 
ATOM   281  O O    . VAL   A 1 21  ? -16.275 -7.162  1.719   1   15.746  ? 33  VAL   B O    1 ? 
ATOM   282  C CB   . VAL   A 1 21  ? -17.149 -6.785  -1.112  1   15.032  ? 33  VAL   B CB   1 ? 
ATOM   283  C CG1  . VAL   A 1 21  ? -17.625 -5.358  -1.034  1   15.948  ? 33  VAL   B CG1  1 ? 
ATOM   284  C CG2  . VAL   A 1 21  ? -17.32  -7.36   -2.519  1   15.435  ? 33  VAL   B CG2  1 ? 
ATOM   285  H H    . VAL   A 1 21  ? -15.337 -8.823  -0.034  1   14.915  ? 33  VAL   B H    1 c 
ATOM   286  H HA   . VAL   A 1 21  ? -15.153 -6.282  -1.095  1   14.515  ? 33  VAL   B HA   1 c 
ATOM   287  H HB   . VAL   A 1 21  ? -17.719 -7.317  -0.508  1   15.073  ? 33  VAL   B HB   1 c 
ATOM   288  H HG11 . VAL   A 1 21  ? -17.015 -4.785  -1.53   1   15.827  ? 33  VAL   B HG11 1 c 
ATOM   289  H HG12 . VAL   A 1 21  ? -17.655 -5.073  -0.106  1   15.675  ? 33  VAL   B HG12 1 c 
ATOM   290  H HG13 . VAL   A 1 21  ? -18.515 -5.292  -1.42   1   15.691  ? 33  VAL   B HG13 1 c 
ATOM   291  H HG21 . VAL   A 1 21  ? -18.238 -7.232  -2.813  1   15.357  ? 33  VAL   B HG21 1 c 
ATOM   292  H HG22 . VAL   A 1 21  ? -17.114 -8.31   -2.51   1   15.393  ? 33  VAL   B HG22 1 c 
ATOM   293  H HG23 . VAL   A 1 21  ? -16.719 -6.904  -3.131  1   15.433  ? 33  VAL   B HG23 1 c 
ATOM   294  N N    . LEU   A 1 22  ? -14.776 -5.523  1.191   1   14.765  ? 34  LEU   B N    1 ? 
ATOM   295  C CA   . LEU   A 1 22  ? -14.557 -5.053  2.553   1   14.922  ? 34  LEU   B CA   1 ? 
ATOM   296  C C    . LEU   A 1 22  ? -15.067 -3.637  2.643   1   14.382  ? 34  LEU   B C    1 ? 
ATOM   297  O O    . LEU   A 1 22  ? -14.874 -2.859  1.723   1   15.246  ? 34  LEU   B O    1 ? 
ATOM   298  C CB   . LEU   A 1 22  ? -13.073 -5.103  2.881   1   15.817  ? 34  LEU   B CB   1 ? 
ATOM   299  C CG   . LEU   A 1 22  ? -12.401 -6.476  2.874   1   16.161  ? 34  LEU   B CG   1 ? 
ATOM   300  C CD1  . LEU   A 1 22  ? -10.898 -6.293  2.899   1   18.451  ? 34  LEU   B CD1  1 ? 
ATOM   301  C CD2  . LEU   A 1 22  ? -12.845 -7.382  4.023   1   18.829  ? 34  LEU   B CD2  1 ? 
ATOM   302  H H    . LEU   A 1 22  ? -14.306 -5.126  0.515   1   14.73   ? 34  LEU   B H    1 c 
ATOM   303  H HA   . LEU   A 1 22  ? -15.057 -5.63   3.179   1   15.021  ? 34  LEU   B HA   1 c 
ATOM   304  H HB2  . LEU   A 1 22  ? -12.601 -4.527  2.236   1   15.687  ? 34  LEU   B HB2  1 c 
ATOM   305  H HB3  . LEU   A 1 22  ? -12.945 -4.703  3.772   1   15.705  ? 34  LEU   B HB3  1 c 
ATOM   306  H HG   . LEU   A 1 22  ? -12.637 -6.928  2.023   1   16.624  ? 34  LEU   B HG   1 c 
ATOM   307  H HD11 . LEU   A 1 22  ? -10.618 -5.794  2.113   1   17.868  ? 34  LEU   B HD11 1 c 
ATOM   308  H HD12 . LEU   A 1 22  ? -10.465 -7.164  2.899   1   17.91   ? 34  LEU   B HD12 1 c 
ATOM   309  H HD13 . LEU   A 1 22  ? -10.643 -5.806  3.7     1   17.996  ? 34  LEU   B HD13 1 c 
ATOM   310  H HD21 . LEU   A 1 22  ? -13.803 -7.529  3.969   1   18.118  ? 34  LEU   B HD21 1 c 
ATOM   311  H HD22 . LEU   A 1 22  ? -12.63  -6.96   4.872   1   18.258  ? 34  LEU   B HD22 1 c 
ATOM   312  H HD23 . LEU   A 1 22  ? -12.384 -8.236  3.96    1   18.2    ? 34  LEU   B HD23 1 c 
ATOM   313  N N    . LYS   A 1 23  ? -15.735 -3.309  3.754   1   14.344  ? 35  LYS   B N    1 ? 
ATOM   314  C CA   . LYS   A 1 23  ? -16.457 -2.047  3.907   1   14.421  ? 35  LYS   B CA   1 ? 
ATOM   315  C C    . LYS   A 1 23  ? -16.105 -1.356  5.221   1   15.413  ? 35  LYS   B C    1 ? 
ATOM   316  O O    . LYS   A 1 23  ? -16.076 -2.013  6.281   1   15.94   ? 35  LYS   B O    1 ? 
ATOM   317  C CB   . LYS   A 1 23  ? -17.974 -2.293  3.904   1   15.209  ? 35  LYS   B CB   1 ? 
ATOM   318  C CG   . LYS   A 1 23  ? -18.817 -1.047  3.999   1   15.301  ? 35  LYS   B CG   1 ? 
ATOM   319  C CD   . LYS   A 1 23  ? -20.318 -1.299  4.083   1   15.312  ? 35  LYS   B CD   1 ? 
ATOM   320  C CE   . LYS   A 1 23  ? -21.112 -0.012  4.165   1   16.595  ? 35  LYS   B CE   1 ? 
ATOM   321  N NZ   . LYS   A 1 23  ? -22.494 -0.223  4.616   1   17.946  ? 35  LYS   B NZ   1 ? 
ATOM   322  H H    . LYS   A 1 23  ? -15.74  -3.898  4.453   1   14.337  ? 35  LYS   B H    1 c 
ATOM   323  H HA   . LYS   A 1 23  ? -16.222 -1.454  3.154   1   14.587  ? 35  LYS   B HA   1 c 
ATOM   324  H HB2  . LYS   A 1 23  ? -18.214 -2.767  3.08    1   15.147  ? 35  LYS   B HB2  1 c 
ATOM   325  H HB3  . LYS   A 1 23  ? -18.199 -2.877  4.66    1   15.18   ? 35  LYS   B HB3  1 c 
ATOM   326  H HG2  . LYS   A 1 23  ? -18.54  -0.541  4.792   1   15.21   ? 35  LYS   B HG2  1 c 
ATOM   327  H HG3  . LYS   A 1 23  ? -18.634 -0.489  3.212   1   15.266  ? 35  LYS   B HG3  1 c 
ATOM   328  H HD2  . LYS   A 1 23  ? -20.605 -1.804  3.29    1   15.567  ? 35  LYS   B HD2  1 c 
ATOM   329  H HD3  . LYS   A 1 23  ? -20.508 -1.845  4.877   1   15.567  ? 35  LYS   B HD3  1 c 
ATOM   330  H HE2  . LYS   A 1 23  ? -20.67  0.598   4.782   1   16.54   ? 35  LYS   B HE2  1 c 
ATOM   331  H HE3  . LYS   A 1 23  ? -21.13  0.409   3.287   1   16.534  ? 35  LYS   B HE3  1 c 
ATOM   332  H HZ1  . LYS   A 1 23  ? -22.493 -0.596  5.442   1   17.719  ? 35  LYS   B HZ1  1 c 
ATOM   333  H HZ2  . LYS   A 1 23  ? -22.923 -0.775  4.04    1   17.646  ? 35  LYS   B HZ2  1 c 
ATOM   334  H HZ3  . LYS   A 1 23  ? -22.93  0.57    4.648   1   17.658  ? 35  LYS   B HZ3  1 c 
ATOM   335  N N    . ILE   A 1 24  ? -15.944 -0.032  5.176   1   14.913  ? 36  ILE   B N    1 ? 
ATOM   336  C CA   . ILE   A 1 24  ? -15.968 0.819   6.378   1   15.974  ? 36  ILE   B CA   1 ? 
ATOM   337  C C    . ILE   A 1 24  ? -16.998 1.912   6.136   1   16.278  ? 36  ILE   B C    1 ? 
ATOM   338  O O    . ILE   A 1 24  ? -17     2.579   5.094   1   17.918  ? 36  ILE   B O    1 ? 
ATOM   339  C CB   . ILE   A 1 24  ? -14.602 1.436   6.669   1   18.476  ? 36  ILE   B CB   1 ? 
ATOM   340  C CG1  . ILE   A 1 24  ? -13.545 0.38    6.89    1   18.622  ? 36  ILE   B CG1  1 ? 
ATOM   341  C CG2  . ILE   A 1 24  ? -14.715 2.399   7.857   1   21.928  ? 36  ILE   B CG2  1 ? 
ATOM   342  C CD1  . ILE   A 1 24  ? -12.159 1.001   7.105   1   19.566  ? 36  ILE   B CD1  1 ? 
ATOM   343  H H    . ILE   A 1 24  ? -15.809 0.368   4.365   1   15.273  ? 36  ILE   B H    1 c 
ATOM   344  H HA   . ILE   A 1 24  ? -16.244 0.281   7.145   1   16.078  ? 36  ILE   B HA   1 c 
ATOM   345  H HB   . ILE   A 1 24  ? -14.34  1.958   5.885   1   18.476  ? 36  ILE   B HB   1 c 
ATOM   346  H HG12 . ILE   A 1 24  ? -13.783 -0.155  7.675   1   18.747  ? 36  ILE   B HG12 1 c 
ATOM   347  H HG13 . ILE   A 1 24  ? -13.514 -0.213  6.113   1   18.737  ? 36  ILE   B HG13 1 c 
ATOM   348  H HG21 . ILE   A 1 24  ? -13.85  2.8     8.039   1   21.046  ? 36  ILE   B HG21 1 c 
ATOM   349  H HG22 . ILE   A 1 24  ? -15.017 1.913   8.643   1   21.24   ? 36  ILE   B HG22 1 c 
ATOM   350  H HG23 . ILE   A 1 24  ? -15.353 3.102   7.65    1   20.99   ? 36  ILE   B HG23 1 c 
ATOM   351  H HD11 . ILE   A 1 24  ? -11.934 1.567   6.342   1   19.392  ? 36  ILE   B HD11 1 c 
ATOM   352  H HD12 . ILE   A 1 24  ? -11.497 0.288   7.184   1   19.345  ? 36  ILE   B HD12 1 c 
ATOM   353  H HD13 . ILE   A 1 24  ? -12.15  1.537   7.92    1   19.389  ? 36  ILE   B HD13 1 c 
ATOM   354  N N    . VAL   A 1 25  ? -17.875 2.114   7.115   1   18.185  ? 37  VAL   B N    1 ? 
ATOM   355  C CA   . VAL   A 1 25  ? -18.766 3.267   7.122   1   18.992  ? 37  VAL   B CA   1 ? 
ATOM   356  C C    . VAL   A 1 25  ? -17.95  4.457   7.612   1   19.584  ? 37  VAL   B C    1 ? 
ATOM   357  O O    . VAL   A 1 25  ? -17.419 4.434   8.716   1   21.616  ? 37  VAL   B O    1 ? 
ATOM   358  C CB   . VAL   A 1 25  ? -20     3.04    8.016   1   19.379  ? 37  VAL   B CB   1 ? 
ATOM   359  C CG1  . VAL   A 1 25  ? -20.861 4.304   8.091   1   21.797  ? 37  VAL   B CG1  1 ? 
ATOM   360  C CG2  . VAL   A 1 25  ? -20.829 1.849   7.551   1   19.728  ? 37  VAL   B CG2  1 ? 
ATOM   361  H H    . VAL   A 1 25  ? -17.925 1.517   7.804   1   17.871  ? 37  VAL   B H    1 c 
ATOM   362  H HA   . VAL   A 1 25  ? -19.066 3.439   6.208   1   18.979  ? 37  VAL   B HA   1 c 
ATOM   363  H HB   . VAL   A 1 25  ? -19.67  2.843   8.924   1   19.468  ? 37  VAL   B HB   1 c 
ATOM   364  H HG11 . VAL   A 1 25  ? -21.11  4.582   7.194   1   21.373  ? 37  VAL   B HG11 1 c 
ATOM   365  H HG12 . VAL   A 1 25  ? -20.36  5.016   8.524   1   21.297  ? 37  VAL   B HG12 1 c 
ATOM   366  H HG13 . VAL   A 1 25  ? -21.665 4.118   8.606   1   21.198  ? 37  VAL   B HG13 1 c 
ATOM   367  H HG21 . VAL   A 1 25  ? -21.596 1.738   8.137   1   19.524  ? 37  VAL   B HG21 1 c 
ATOM   368  H HG22 . VAL   A 1 25  ? -20.285 1.044   7.576   1   19.72   ? 37  VAL   B HG22 1 c 
ATOM   369  H HG23 . VAL   A 1 25  ? -21.137 2.003   6.642   1   19.718  ? 37  VAL   B HG23 1 c 
ATOM   370  N N    . LYS   A 1 26  ? -17.882 5.517   6.804   1   20.242  ? 38  LYS   B N    1 ? 
ATOM   371  C CA   . LYS   A 1 26  ? -17.132 6.724   7.127   1   20.525  ? 38  LYS   B CA   1 ? 
ATOM   372  C C    . LYS   A 1 26  ? -18.057 7.812   7.663   1   23.089  ? 38  LYS   B C    1 ? 
ATOM   373  O O    . LYS   A 1 26  ? -17.613 8.597   8.464   1   25.826  ? 38  LYS   B O    1 ? 
ATOM   374  C CB   . LYS   A 1 26  ? -16.342 7.222   5.921   1   22.058  ? 38  LYS   B CB   1 ? 
ATOM   375  C CG   . LYS   A 1 26  ? -15.335 6.246   5.438   1   25.296  ? 38  LYS   B CG   1 ? 
ATOM   376  C CD   . LYS   A 1 26  ? -14.299 5.729   6.413   1   28.901  ? 38  LYS   B CD   1 ? 
ATOM   377  C CE   . LYS   A 1 26  ? -13.272 6.731   6.645   1   33.329  ? 38  LYS   B CE   1 ? 
ATOM   378  N NZ   . LYS   A 1 26  ? -12.174 6.365   7.558   1   37.269  ? 38  LYS   B NZ   1 ? 
ATOM   379  H H    . LYS   A 1 26  ? -18.323 5.484   6.003   1   20.324  ? 38  LYS   B H    1 c 
ATOM   380  H HA   . LYS   A 1 26  ? -16.486 6.501   7.842   1   20.845  ? 38  LYS   B HA   1 c 
ATOM   381  H HB2  . LYS   A 1 26  ? -16.965 7.421   5.189   1   22.253  ? 38  LYS   B HB2  1 c 
ATOM   382  H HB3  . LYS   A 1 26  ? -15.883 8.055   6.161   1   22.176  ? 38  LYS   B HB3  1 c 
ATOM   383  H HG2  . LYS   A 1 26  ? -15.822 5.473   5.077   1   24.949  ? 38  LYS   B HG2  1 c 
ATOM   384  H HG3  . LYS   A 1 26  ? -14.864 6.656   4.681   1   25.03   ? 38  LYS   B HG3  1 c 
ATOM   385  H HD2  . LYS   A 1 26  ? -14.726 5.497   7.266   1   28.699  ? 38  LYS   B HD2  1 c 
ATOM   386  H HD3  . LYS   A 1 26  ? -13.884 4.919   6.046   1   28.714  ? 38  LYS   B HD3  1 c 
ATOM   387  H HE2  . LYS   A 1 26  ? -12.879 6.97    5.787   1   33.413  ? 38  LYS   B HE2  1 c 
ATOM   388  H HE3  . LYS   A 1 26  ? -13.701 7.532   6.997   1   33.314  ? 38  LYS   B HE3  1 c 
ATOM   389  H HZ1  . LYS   A 1 26  ? -11.748 5.629   7.245   1   36.209  ? 38  LYS   B HZ1  1 c 
ATOM   390  H HZ2  . LYS   A 1 26  ? -12.507 6.189   8.382   1   36.13   ? 38  LYS   B HZ2  1 c 
ATOM   391  H HZ3  . LYS   A 1 26  ? -11.583 7.049   7.615   1   36.435  ? 38  LYS   B HZ3  1 c 
ATOM   392  N N    . ARG   A 1 27  ? -19.3   7.884   7.174   1   21.761  ? 39  ARG   B N    1 ? 
ATOM   393  C CA   . ARG   A 1 27  ? -20.306 8.799   7.685   1   23.118  ? 39  ARG   B CA   1 ? 
ATOM   394  C C    . ARG   A 1 27  ? -21.62  8.025   7.749   1   24.7    ? 39  ARG   B C    1 ? 
ATOM   395  O O    . ARG   A 1 27  ? -22.048 7.45    6.747   1   24.391  ? 39  ARG   B O    1 ? 
ATOM   396  C CB   . ARG   A 1 27  ? -20.483 10.078  6.856   1   25.362  ? 39  ARG   B CB   1 ? 
ATOM   397  C CG   . ARG   A 1 27  ? -21.419 11.088  7.517   1   27.748  ? 39  ARG   B CG   1 ? 
ATOM   398  C CD   . ARG   A 1 27  ? -21.613 12.288  6.609   1   28.856  ? 39  ARG   B CD   1 ? 
ATOM   399  N NE   . ARG   A 1 27  ? -22.432 11.953  5.425   1   26.896  ? 39  ARG   B NE   1 ? 
ATOM   400  C CZ   . ARG   A 1 27  ? -22.569 12.699  4.349   1   28.921  ? 39  ARG   B CZ   1 ? 
ATOM   401  N NH1  . ARG   A 1 27  ? -23.446 12.372  3.423   1   27.802  ? 39  ARG   B NH1  1 ? 
ATOM   402  N NH2  . ARG   A 1 27  ? -21.853 13.794  4.211   1   29.342  ? 39  ARG   B NH2  1 ? 
ATOM   403  H H    . ARG   A 1 27  ? -19.527 7.342   6.474   1   22.281  ? 39  ARG   B H    1 c 
ATOM   404  H HA   . ARG   A 1 27  ? -20.05  9.059   8.606   1   23.244  ? 39  ARG   B HA   1 c 
ATOM   405  H HB2  . ARG   A 1 27  ? -19.606 10.496  6.721   1   25.09   ? 39  ARG   B HB2  1 c 
ATOM   406  H HB3  . ARG   A 1 27  ? -20.842 9.84    5.974   1   25.37   ? 39  ARG   B HB3  1 c 
ATOM   407  H HG2  . ARG   A 1 27  ? -22.29  10.67   7.693   1   27.492  ? 39  ARG   B HG2  1 c 
ATOM   408  H HG3  . ARG   A 1 27  ? -21.035 11.385  8.371   1   27.67   ? 39  ARG   B HG3  1 c 
ATOM   409  H HD2  . ARG   A 1 27  ? -22.049 13.008  7.11    1   28.238  ? 39  ARG   B HD2  1 c 
ATOM   410  H HD3  . ARG   A 1 27  ? -20.736 12.609  6.318   1   28.37   ? 39  ARG   B HD3  1 c 
ATOM   411  H HE   . ARG   A 1 27  ? -22.861 11.195  5.438   1   27.701  ? 39  ARG   B HE   1 c 
ATOM   412  H HH11 . ARG   A 1 27  ? -23.831 11.576  3.44    1   27.935  ? 39  ARG   B HH11 1 c 
ATOM   413  H HH12 . ARG   A 1 27  ? -23.65  12.951  2.786   1   27.937  ? 39  ARG   B HH12 1 c 
ATOM   414  H HH21 . ARG   A 1 27  ? -21.386 14.118  4.887   1   28.946  ? 39  ARG   B HH21 1 c 
ATOM   415  H HH22 . ARG   A 1 27  ? -21.843 14.211  3.43    1   28.916  ? 39  ARG   B HH22 1 c 
ATOM   416  N N    . VAL   A 1 28  ? -22.258 8.014   8.922   1   26.379  ? 40  VAL   B N    1 ? 
ATOM   417  C CA   . VAL   A 1 28  ? -23.517 7.308   9.102   1   27.016  ? 40  VAL   B CA   1 ? 
ATOM   418  C C    . VAL   A 1 28  ? -24.651 8.05    8.383   1   28.375  ? 40  VAL   B C    1 ? 
ATOM   419  O O    . VAL   A 1 28  ? -24.685 9.286   8.413   1   31.962  ? 40  VAL   B O    1 ? 
ATOM   420  C CB   . VAL   A 1 28  ? -23.782 7.128   10.614  1   28.788  ? 40  VAL   B CB   1 ? 
ATOM   421  C CG1  . VAL   A 1 28  ? -25.194 6.634   10.946  1   31.442  ? 40  VAL   B CG1  1 ? 
ATOM   422  C CG2  . VAL   A 1 28  ? -22.747 6.214   11.259  1   31.625  ? 40  VAL   B CG2  1 ? 
ATOM   423  H H    . VAL   A 1 28  ? -21.899 8.462   9.633   1   26.069  ? 40  VAL   B H    1 c 
ATOM   424  H HA   . VAL   A 1 28  ? -23.426 6.421   8.702   1   27.222  ? 40  VAL   B HA   1 c 
ATOM   425  H HB   . VAL   A 1 28  ? -23.683 8.018   11.029  1   29.113  ? 40  VAL   B HB   1 c 
ATOM   426  H HG11 . VAL   A 1 28  ? -25.375 5.815   10.454  1   30.971  ? 40  VAL   B HG11 1 c 
ATOM   427  H HG12 . VAL   A 1 28  ? -25.844 7.312   10.696  1   30.89   ? 40  VAL   B HG12 1 c 
ATOM   428  H HG13 . VAL   A 1 28  ? -25.261 6.46    11.9    1   30.684  ? 40  VAL   B HG13 1 c 
ATOM   429  H HG21 . VAL   A 1 28  ? -22.945 6.116   12.205  1   30.812  ? 40  VAL   B HG21 1 c 
ATOM   430  H HG22 . VAL   A 1 28  ? -21.861 6.599   11.153  1   30.893  ? 40  VAL   B HG22 1 c 
ATOM   431  H HG23 . VAL   A 1 28  ? -22.774 5.342   10.831  1   31.048  ? 40  VAL   B HG23 1 c 
ATOM   432  N N    . GLY   A 1 29  ? -25.528 7.273   7.707   1   29.031  ? 41  GLY   B N    1 ? 
ATOM   433  C CA   . GLY   A 1 29  ? -26.736 7.747   7.039   1   30.326  ? 41  GLY   B CA   1 ? 
ATOM   434  C C    . GLY   A 1 29  ? -27.993 7.705   7.935   1   34.443  ? 41  GLY   B C    1 ? 
ATOM   435  O O    . GLY   A 1 29  ? -27.868 7.572   9.136   1   33.349  ? 41  GLY   B O    1 ? 
ATOM   436  H H    . GLY   A 1 29  ? -25.352 6.377   7.665   1   29.111  ? 41  GLY   B H    1 c 
ATOM   437  H HA2  . GLY   A 1 29  ? -26.587 8.673   6.734   1   30.759  ? 41  GLY   B HA2  1 c 
ATOM   438  H HA3  . GLY   A 1 29  ? -26.891 7.192   6.239   1   30.67   ? 41  GLY   B HA3  1 c 
ATOM   439  N N    . ASN   A 1 30  ? -29.223 7.758   7.365   1   34.145  ? 42  ASN   B N    1 ? 
ATOM   440  C CA   . ASN   A 1 30  ? -30.477 7.707   8.122   1   35.226  ? 42  ASN   B CA   1 ? 
ATOM   441  C C    . ASN   A 1 30  ? -31.445 6.663   7.542   1   38.52   ? 42  ASN   B C    1 ? 
ATOM   442  O O    . ASN   A 1 30  ? -31.304 6.259   6.403   1   44.328  ? 42  ASN   B O    1 ? 
ATOM   443  C CB   . ASN   A 1 30  ? -31.19  9.057   8.162   1   38.998  ? 42  ASN   B CB   1 ? 
ATOM   444  H H    . ASN   A 1 30  ? -29.274 7.831   6.456   1   33.95   ? 42  ASN   B H    1 c 
ATOM   445  H HA   . ASN   A 1 30  ? -30.27  7.454   9.05    1   36.297  ? 42  ASN   B HA   1 c 
ATOM   446  H HB2  . ASN   A 1 30  ? -30.513 9.784   8.128   0   38.49   ? 42  ASN   B HB2  1 c 
ATOM   447  H HB3  . ASN   A 1 30  ? -32.152 8.932   8.122   0   38.49   ? 42  ASN   B HB3  1 c 
ATOM   448  N N    . GLY   A 1 31  ? -32.475 6.279   8.312   1   38.33   ? 43  GLY   B N    1 ? 
ATOM   449  C CA   . GLY   A 1 31  ? -33.534 5.44    7.774   1   35.822  ? 43  GLY   B CA   1 ? 
ATOM   450  C C    . GLY   A 1 31  ? -33.313 3.947   8.021   1   40.762  ? 43  GLY   B C    1 ? 
ATOM   451  O O    . GLY   A 1 31  ? -32.201 3.462   8.114   1   45.963  ? 43  GLY   B O    1 ? 
ATOM   452  H H    . GLY   A 1 31  ? -32.515 6.544   9.186   1   37.83   ? 43  GLY   B H    1 c 
ATOM   453  H HA2  . GLY   A 1 31  ? -34.388 5.711   8.186   1   36.738  ? 43  GLY   B HA2  1 c 
ATOM   454  H HA3  . GLY   A 1 31  ? -33.61  5.6     6.804   1   37.024  ? 43  GLY   B HA3  1 c 
ATOM   455  N N    . GLU   A 1 32  ? -34.43  3.211   8.122   1   41.079  ? 44  GLU   B N    1 ? 
ATOM   456  C CA   . GLU   A 1 32  ? -34.415 1.762   8.277   1   41.38   ? 44  GLU   B CA   1 ? 
ATOM   457  C C    . GLU   A 1 32  ? -34.173 1.082   6.925   1   41.14   ? 44  GLU   B C    1 ? 
ATOM   458  O O    . GLU   A 1 32  ? -33.77  -0.072  6.869   1   41.333  ? 44  GLU   B O    1 ? 
ATOM   459  C CB   . GLU   A 1 32  ? -35.767 1.282   8.808   1   37.885  ? 44  GLU   B CB   1 ? 
ATOM   460  H H    . GLU   A 1 32  ? -35.238 3.636   8.087   1   41.192  ? 44  GLU   B H    1 c 
ATOM   461  H HA   . GLU   A 1 32  ? -33.692 1.511   8.907   1   40.551  ? 44  GLU   B HA   1 c 
ATOM   462  H HB2  . GLU   A 1 32  ? -35.382 0.774   9.797   0   41.52   ? 44  GLU   B HB2  1 c 
ATOM   463  H HB3  . GLU   A 1 32  ? -36.369 1.642   8.485   0   41.52   ? 44  GLU   B HB3  1 c 
ATOM   464  N N    . GLU   A 1 33  ? -34.488 1.786   5.83    1   37.847  ? 45  GLU   B N    1 ? 
ATOM   465  C CA   . GLU   A 1 33  ? -34.486 1.174   4.524   1   37.181  ? 45  GLU   B CA   1 ? 
ATOM   466  C C    . GLU   A 1 33  ? -33.068 1.221   3.942   1   36.89   ? 45  GLU   B C    1 ? 
ATOM   467  O O    . GLU   A 1 33  ? -32.364 2.239   3.972   1   33.387  ? 45  GLU   B O    1 ? 
ATOM   468  C CB   . GLU   A 1 33  ? -35.469 1.884   3.601   1   42.048  ? 45  GLU   B CB   1 ? 
ATOM   469  H H    . GLU   A 1 33  ? -34.709 2.67    5.904   1   38.03   ? 45  GLU   B H    1 c 
ATOM   470  H HA   . GLU   A 1 33  ? -34.766 0.228   4.619   1   37.806  ? 45  GLU   B HA   1 c 
ATOM   471  H HB2  . GLU   A 1 33  ? -34.962 2.47    3.005   0   42.31   ? 45  GLU   B HB2  1 c 
ATOM   472  H HB3  . GLU   A 1 33  ? -36.384 1.711   3.927   0   42.31   ? 45  GLU   B HB3  1 c 
ATOM   473  N N    . THR   A 1 34  ? -32.657 0.1     3.34    1   39.868  ? 46  THR   B N    1 ? 
ATOM   474  C CA   . THR   A 1 34  ? -31.52  0.074   2.442   1   32.937  ? 46  THR   B CA   1 ? 
ATOM   475  C C    . THR   A 1 34  ? -32.025 -0.304  1.061   1   33.674  ? 46  THR   B C    1 ? 
ATOM   476  O O    . THR   A 1 34  ? -33.127 -0.846  0.941   1   48.645  ? 46  THR   B O    1 ? 
ATOM   477  C CB   . THR   A 1 34  ? -30.521 -0.991  2.865   1   27.274  ? 46  THR   B CB   1 ? 
ATOM   478  O OG1  . THR   A 1 34  ? -31.22  -2.234  2.888   1   31.501  ? 46  THR   B OG1  1 ? 
ATOM   479  C CG2  . THR   A 1 34  ? -29.852 -0.766  4.204   1   27.688  ? 46  THR   B CG2  1 ? 
ATOM   480  H H    . THR   A 1 34  ? -33.105 -0.68   3.498   1   37.346  ? 46  THR   B H    1 c 
ATOM   481  H HA   . THR   A 1 34  ? -31.087 0.953   2.42    1   32.636  ? 46  THR   B HA   1 c 
ATOM   482  H HB   . THR   A 1 34  ? -29.812 -1.039  2.182   1   28.44   ? 46  THR   B HB   1 c 
ATOM   483  H HG1  . THR   A 1 34  ? -31.873 -2.189  3.471   0   31.09   ? 46  THR   B HG1  1 c 
ATOM   484  H HG21 . THR   A 1 34  ? -29.226 -1.489  4.38    1   27.689  ? 46  THR   B HG21 1 c 
ATOM   485  H HG22 . THR   A 1 34  ? -30.525 -0.743  4.904   1   27.89   ? 46  THR   B HG22 1 c 
ATOM   486  H HG23 . THR   A 1 34  ? -29.373 0.08    4.19    1   27.653  ? 46  THR   B HG23 1 c 
ATOM   487  N N    . PRO   A 1 35  ? -31.27  -0.028  -0.024  1   33.739  ? 47  PRO   B N    1 ? 
ATOM   488  C CA   . PRO   A 1 35  ? -31.765 -0.403  -1.342  1   38.608  ? 47  PRO   B CA   1 ? 
ATOM   489  C C    . PRO   A 1 35  ? -31.878 -1.913  -1.571  1   45.867  ? 47  PRO   B C    1 ? 
ATOM   490  O O    . PRO   A 1 35  ? -31.155 -2.724  -0.962  1   44.768  ? 47  PRO   B O    1 ? 
ATOM   491  C CB   . PRO   A 1 35  ? -30.748 0.213   -2.286  1   37.983  ? 47  PRO   B CB   1 ? 
ATOM   492  C CG   . PRO   A 1 35  ? -29.917 1.178   -1.487  1   29.548  ? 47  PRO   B CG   1 ? 
ATOM   493  C CD   . PRO   A 1 35  ? -30.029 0.751   -0.046  1   30.482  ? 47  PRO   B CD   1 ? 
ATOM   494  H HA   . PRO   A 1 35  ? -32.639 0.015   -1.49   1   38.47   ? 47  PRO   B HA   1 c 
ATOM   495  H HB2  . PRO   A 1 35  ? -30.179 -0.476  -2.666  1   36.591  ? 47  PRO   B HB2  1 c 
ATOM   496  H HB3  . PRO   A 1 35  ? -31.197 0.675   -3.02   1   36.372  ? 47  PRO   B HB3  1 c 
ATOM   497  H HG2  . PRO   A 1 35  ? -28.983 1.149   -1.777  1   30.899  ? 47  PRO   B HG2  1 c 
ATOM   498  H HG3  . PRO   A 1 35  ? -30.249 2.091   -1.597  1   30.942  ? 47  PRO   B HG3  1 c 
ATOM   499  H HD2  . PRO   A 1 35  ? -29.269 0.2     0.223   1   30.985  ? 47  PRO   B HD2  1 c 
ATOM   500  H HD3  . PRO   A 1 35  ? -30.094 1.524   0.545   1   30.611  ? 47  PRO   B HD3  1 c 
ATOM   501  N N    . MET   A 1 36  ? -32.794 -2.276  -2.473  1   45.402  ? 48  MET   B N    1 ? 
ATOM   502  C CA   . MET   A 1 36  ? -33.008 -3.67   -2.834  1   45.177  ? 48  MET   B CA   1 ? 
ATOM   503  C C    . MET   A 1 36  ? -33.048 -3.821  -4.332  1   37.02   ? 48  MET   B C    1 ? 
ATOM   504  O O    . MET   A 1 36  ? -33.121 -2.812  -5.064  1   44.374  ? 48  MET   B O    1 ? 
ATOM   505  C CB   . MET   A 1 36  ? -34.299 -4.231  -2.262  1   41.131  ? 48  MET   B CB   1 ? 
ATOM   506  C CG   . MET   A 1 36  ? -34.335 -4.196  -0.754  1   43.89   ? 48  MET   B CG   1 ? 
ATOM   507  S SD   . MET   A 1 36  ? -36.033 -4.267  -0.142  1   50.79   ? 48  MET   B SD   1 ? 
ATOM   508  C CE   . MET   A 1 36  ? -35.656 -5.56   1.042   1   37.614  ? 48  MET   B CE   1 ? 
ATOM   509  H H    . MET   A 1 36  ? -33.301 -1.634  -2.881  1   45.075  ? 48  MET   B H    1 c 
ATOM   510  H HA   . MET   A 1 36  ? -32.244 -4.201  -2.493  1   43.256  ? 48  MET   B HA   1 c 
ATOM   511  H HB2  . MET   A 1 36  ? -35.054 -3.714  -2.617  1   41.981  ? 48  MET   B HB2  1 c 
ATOM   512  H HB3  . MET   A 1 36  ? -34.402 -5.16   -2.561  1   41.77   ? 48  MET   B HB3  1 c 
ATOM   513  H HG2  . MET   A 1 36  ? -33.826 -4.949  -0.394  1   44.191  ? 48  MET   B HG2  1 c 
ATOM   514  H HG3  . MET   A 1 36  ? -33.922 -3.369  -0.436  1   43.497  ? 48  MET   B HG3  1 c 
ATOM   515  H HE1  . MET   A 1 36  ? -36.457 -5.774  1.555   1   38.994  ? 48  MET   B HE1  1 c 
ATOM   516  H HE2  . MET   A 1 36  ? -35.352 -6.357  0.569   1   38.406  ? 48  MET   B HE2  1 c 
ATOM   517  H HE3  . MET   A 1 36  ? -34.957 -5.253  1.648   1   38.886  ? 48  MET   B HE3  1 c 
ATOM   518  N N    . ILE   A 1 37  ? -32.89  -5.087  -4.764  1   38.889  ? 49  ILE   B N    1 ? 
ATOM   519  C CA   . ILE   A 1 37  ? -32.695 -5.378  -6.171  1   40.257  ? 49  ILE   B CA   1 ? 
ATOM   520  C C    . ILE   A 1 37  ? -33.834 -4.719  -6.931  1   37.228  ? 49  ILE   B C    1 ? 
ATOM   521  O O    . ILE   A 1 37  ? -34.994 -4.864  -6.565  1   42.372  ? 49  ILE   B O    1 ? 
ATOM   522  C CB   . ILE   A 1 37  ? -32.591 -6.896  -6.383  1   43.477  ? 49  ILE   B CB   1 ? 
ATOM   523  C CG1  . ILE   A 1 37  ? -31.321 -7.445  -5.723  1   49.304  ? 49  ILE   B CG1  1 ? 
ATOM   524  C CG2  . ILE   A 1 37  ? -32.674 -7.258  -7.871  1   44.9    ? 49  ILE   B CG2  1 ? 
ATOM   525  C CD1  . ILE   A 1 37  ? -31.211 -8.957  -5.69   1   48.807  ? 49  ILE   B CD1  1 ? 
ATOM   526  H H    . ILE   A 1 37  ? -32.913 -5.777  -4.167  1   39.548  ? 49  ILE   B H    1 c 
ATOM   527  H HA   . ILE   A 1 37  ? -31.853 -4.971  -6.452  1   40.595  ? 49  ILE   B HA   1 c 
ATOM   528  H HB   . ILE   A 1 37  ? -33.356 -7.309  -5.935  1   43.519  ? 49  ILE   B HB   1 c 
ATOM   529  H HG12 . ILE   A 1 37  ? -30.544 -7.09   -6.199  1   48.412  ? 49  ILE   B HG12 1 c 
ATOM   530  H HG13 . ILE   A 1 37  ? -31.279 -7.114  -4.803  1   47.862  ? 49  ILE   B HG13 1 c 
ATOM   531  H HG21 . ILE   A 1 37  ? -32.594 -8.221  -7.979  1   44.653  ? 49  ILE   B HG21 1 c 
ATOM   532  H HG22 . ILE   A 1 37  ? -31.954 -6.819  -8.354  1   44.78   ? 49  ILE   B HG22 1 c 
ATOM   533  H HG23 . ILE   A 1 37  ? -33.528 -6.968  -8.232  1   44.632  ? 49  ILE   B HG23 1 c 
ATOM   534  H HD11 . ILE   A 1 37  ? -31.988 -9.327  -5.23   1   48.906  ? 49  ILE   B HD11 1 c 
ATOM   535  H HD12 . ILE   A 1 37  ? -30.4   -9.213  -5.211  1   48.879  ? 49  ILE   B HD12 1 c 
ATOM   536  H HD13 . ILE   A 1 37  ? -31.175 -9.31   -6.598  1   49.161  ? 49  ILE   B HD13 1 c 
ATOM   537  N N    . GLY   A 1 38  ? -33.498 -3.923  -7.938  1   37.999  ? 50  GLY   B N    1 ? 
ATOM   538  C CA   . GLY   A 1 38  ? -34.489 -3.251  -8.754  1   36.464  ? 50  GLY   B CA   1 ? 
ATOM   539  C C    . GLY   A 1 38  ? -34.519 -1.731  -8.59   1   35.293  ? 50  GLY   B C    1 ? 
ATOM   540  O O    . GLY   A 1 38  ? -34.909 -1.028  -9.536  1   34.17   ? 50  GLY   B O    1 ? 
ATOM   541  H H    . GLY   A 1 38  ? -32.614 -3.792  -8.128  1   37.449  ? 50  GLY   B H    1 c 
ATOM   542  H HA2  . GLY   A 1 38  ? -34.309 -3.464  -9.7    1   36.549  ? 50  GLY   B HA2  1 c 
ATOM   543  H HA3  . GLY   A 1 38  ? -35.38  -3.613  -8.537  1   36.774  ? 50  GLY   B HA3  1 c 
ATOM   544  N N    . ASP   A 1 39  ? -34.139 -1.22   -7.417  1   34.176  ? 51  ASP   B N    1 ? 
ATOM   545  C CA   . ASP   A 1 39  ? -34.237 0.21    -7.133  1   30.899  ? 51  ASP   B CA   1 ? 
ATOM   546  C C    . ASP   A 1 39  ? -33.323 1.036   -8.039  1   30.874  ? 51  ASP   B C    1 ? 
ATOM   547  O O    . ASP   A 1 39  ? -32.23  0.602   -8.377  1   32.572  ? 51  ASP   B O    1 ? 
ATOM   548  C CB   . ASP   A 1 39  ? -33.929 0.486   -5.67   1   35.746  ? 51  ASP   B CB   1 ? 
ATOM   549  C CG   . ASP   A 1 39  ? -34.874 -0.122  -4.639  1   38.107  ? 51  ASP   B CG   1 ? 
ATOM   550  O OD1  . ASP   A 1 39  ? -35.936 -0.634  -5.009  1   42.331  ? 51  ASP   B OD1  1 ? 
ATOM   551  O OD2  . ASP   A 1 39  ? -34.592 -0.03   -3.462  1   46.579  ? 51  ASP   B OD2  1 ? 
ATOM   552  H H    . ASP   A 1 39  ? -33.809 -1.776  -6.771  1   33.453  ? 51  ASP   B H    1 c 
ATOM   553  H HA   . ASP   A 1 39  ? -35.167 0.485   -7.297  1   32.355  ? 51  ASP   B HA   1 c 
ATOM   554  H HB2  . ASP   A 1 39  ? -33.026 0.156   -5.479  1   34.872  ? 51  ASP   B HB2  1 c 
ATOM   555  H HB3  . ASP   A 1 39  ? -33.925 1.456   -5.533  1   35.015  ? 51  ASP   B HB3  1 c 
ATOM   556  N N    . LYS   A 1 40  ? -33.733 2.258   -8.365  1   28.366  ? 52  LYS   B N    1 ? 
ATOM   557  C CA   . LYS   A 1 40  ? -32.889 3.219   -9.049  1   26.82   ? 52  LYS   B CA   1 ? 
ATOM   558  C C    . LYS   A 1 40  ? -32.114 3.947   -7.947  1   27.31   ? 52  LYS   B C    1 ? 
ATOM   559  O O    . LYS   A 1 40  ? -32.723 4.532   -7.044  1   33.001  ? 52  LYS   B O    1 ? 
ATOM   560  C CB   . LYS   A 1 40  ? -33.722 4.169   -9.922  1   30.81   ? 52  LYS   B CB   1 ? 
ATOM   561  H H    . LYS   A 1 40  ? -34.584 2.508   -8.144  1   28.538  ? 52  LYS   B H    1 c 
ATOM   562  H HA   . LYS   A 1 40  ? -32.251 2.728   -9.626  1   27.712  ? 52  LYS   B HA   1 c 
ATOM   563  H HB2  . LYS   A 1 40  ? -33.099 4.71    -10.455 0   30.66   ? 52  LYS   B HB2  1 c 
ATOM   564  H HB3  . LYS   A 1 40  ? -34.667 3.982   -9.771  0   30.66   ? 52  LYS   B HB3  1 c 
ATOM   565  N N    . VAL   A 1 41  ? -30.777 3.895   -8.044  1   25.163  ? 53  VAL   B N    1 ? 
ATOM   566  C CA   . VAL   A 1 41  ? -29.894 4.377   -7.005  1   25.178  ? 53  VAL   B CA   1 ? 
ATOM   567  C C    . VAL   A 1 41  ? -29.085 5.536   -7.562  1   24.697  ? 53  VAL   B C    1 ? 
ATOM   568  O O    . VAL   A 1 41  ? -28.619 5.488   -8.708  1   24.902  ? 53  VAL   B O    1 ? 
ATOM   569  C CB   . VAL   A 1 41  ? -29     3.254   -6.474  1   26.777  ? 53  VAL   B CB   1 ? 
ATOM   570  C CG1  . VAL   A 1 41  ? -28.019 3.752   -5.435  1   26.71   ? 53  VAL   B CG1  1 ? 
ATOM   571  C CG2  . VAL   A 1 41  ? -29.836 2.159   -5.866  1   29.684  ? 53  VAL   B CG2  1 ? 
ATOM   572  H H    . VAL   A 1 41  ? -30.403 3.544   -8.801  1   25.483  ? 53  VAL   B H    1 c 
ATOM   573  H HA   . VAL   A 1 41  ? -30.441 4.708   -6.266  1   25.538  ? 53  VAL   B HA   1 c 
ATOM   574  H HB   . VAL   A 1 41  ? -28.497 2.885   -7.237  1   27.076  ? 53  VAL   B HB   1 c 
ATOM   575  H HG11 . VAL   A 1 41  ? -28.506 4.171   -4.706  1   26.505  ? 53  VAL   B HG11 1 c 
ATOM   576  H HG12 . VAL   A 1 41  ? -27.418 4.401   -5.836  1   26.783  ? 53  VAL   B HG12 1 c 
ATOM   577  H HG13 . VAL   A 1 41  ? -27.503 3.006   -5.091  1   26.758  ? 53  VAL   B HG13 1 c 
ATOM   578  H HG21 . VAL   A 1 41  ? -29.255 1.468   -5.507  1   28.848  ? 53  VAL   B HG21 1 c 
ATOM   579  H HG22 . VAL   A 1 41  ? -30.414 1.774   -6.546  1   29.154  ? 53  VAL   B HG22 1 c 
ATOM   580  H HG23 . VAL   A 1 41  ? -30.382 2.526   -5.15   1   29.036  ? 53  VAL   B HG23 1 c 
ATOM   581  N N    . TYR   A 1 42  ? -28.957 6.579   -6.709  1   24.249  ? 54  TYR   B N    1 ? 
ATOM   582  C CA   . TYR   A 1 42  ? -28.225 7.785   -7.017  1   23.838  ? 54  TYR   B CA   1 ? 
ATOM   583  C C    . TYR   A 1 42  ? -27.062 7.848   -6.045  1   23.187  ? 54  TYR   B C    1 ? 
ATOM   584  O O    . TYR   A 1 42  ? -27.307 7.875   -4.827  1   25.427  ? 54  TYR   B O    1 ? 
ATOM   585  C CB   . TYR   A 1 42  ? -29.162 8.984   -6.856  1   26.87   ? 54  TYR   B CB   1 ? 
ATOM   586  C CG   . TYR   A 1 42  ? -30.407 8.965   -7.73   1   29.665  ? 54  TYR   B CG   1 ? 
ATOM   587  C CD1  . TYR   A 1 42  ? -31.481 8.119   -7.472  1   28.223  ? 54  TYR   B CD1  1 ? 
ATOM   588  C CD2  . TYR   A 1 42  ? -30.469 9.752   -8.858  1   32.353  ? 54  TYR   B CD2  1 ? 
ATOM   589  C CE1  . TYR   A 1 42  ? -32.6   8.077   -8.284  1   35.178  ? 54  TYR   B CE1  1 ? 
ATOM   590  C CE2  . TYR   A 1 42  ? -31.595 9.749   -9.661  1   36.127  ? 54  TYR   B CE2  1 ? 
ATOM   591  C CZ   . TYR   A 1 42  ? -32.664 8.914   -9.375  1   36.602  ? 54  TYR   B CZ   1 ? 
ATOM   592  O OH   . TYR   A 1 42  ? -33.756 8.906   -10.204 1   45.941  ? 54  TYR   B OH   1 ? 
ATOM   593  H H    . TYR   A 1 42  ? -29.355 6.519   -5.888  1   24.399  ? 54  TYR   B H    1 c 
ATOM   594  H HA   . TYR   A 1 42  ? -27.887 7.746   -7.95   1   24.006  ? 54  TYR   B HA   1 c 
ATOM   595  H HB2  . TYR   A 1 42  ? -29.441 9.033   -5.914  1   26.707  ? 54  TYR   B HB2  1 c 
ATOM   596  H HB3  . TYR   A 1 42  ? -28.652 9.802   -7.052  1   26.625  ? 54  TYR   B HB3  1 c 
ATOM   597  H HD1  . TYR   A 1 42  ? -31.446 7.554   -6.716  1   29.719  ? 54  TYR   B HD1  1 c 
ATOM   598  H HD2  . TYR   A 1 42  ? -29.758 10.34   -9.056  1   32.394  ? 54  TYR   B HD2  1 c 
ATOM   599  H HE1  . TYR   A 1 42  ? -33.323 7.512   -8.074  1   33.681  ? 54  TYR   B HE1  1 c 
ATOM   600  H HE2  . TYR   A 1 42  ? -31.631 10.308  -10.418 1   35.139  ? 54  TYR   B HE2  1 c 
ATOM   601  H HH   . TYR   A 1 42  ? -34.345 8.3     -9.889  0   45.54   ? 54  TYR   B HH   1 c 
ATOM   602  N N    . VAL   A 1 43  ? -25.841 7.952   -6.59   1   21.551  ? 55  VAL   B N    1 ? 
ATOM   603  C CA   . VAL   A 1 43  ? -24.665 8.095   -5.763  1   20.597  ? 55  VAL   B CA   1 ? 
ATOM   604  C C    . VAL   A 1 43  ? -23.735 9.156   -6.313  1   20.841  ? 55  VAL   B C    1 ? 
ATOM   605  O O    . VAL   A 1 43  ? -23.759 9.508   -7.494  1   23.592  ? 55  VAL   B O    1 ? 
ATOM   606  C CB   . VAL   A 1 43  ? -23.881 6.773   -5.62   1   19.811  ? 55  VAL   B CB   1 ? 
ATOM   607  C CG1  . VAL   A 1 43  ? -24.763 5.658   -5.091  1   19.131  ? 55  VAL   B CG1  1 ? 
ATOM   608  C CG2  . VAL   A 1 43  ? -23.221 6.325   -6.918  1   20.425  ? 55  VAL   B CG2  1 ? 
ATOM   609  H H    . VAL   A 1 43  ? -25.744 7.931   -7.499  1   21.464  ? 55  VAL   B H    1 c 
ATOM   610  H HA   . VAL   A 1 43  ? -24.953 8.375   -4.874  1   20.622  ? 55  VAL   B HA   1 c 
ATOM   611  H HB   . VAL   A 1 43  ? -23.167 6.929   -4.959  1   19.892  ? 55  VAL   B HB   1 c 
ATOM   612  H HG11 . VAL   A 1 43  ? -25.468 5.471   -5.731  1   19.307  ? 55  VAL   B HG11 1 c 
ATOM   613  H HG12 . VAL   A 1 43  ? -25.157 5.93    -4.245  1   19.302  ? 55  VAL   B HG12 1 c 
ATOM   614  H HG13 . VAL   A 1 43  ? -24.228 4.858   -4.956  1   19.283  ? 55  VAL   B HG13 1 c 
ATOM   615  H HG21 . VAL   A 1 43  ? -22.771 5.477   -6.775  1   20.152  ? 55  VAL   B HG21 1 c 
ATOM   616  H HG22 . VAL   A 1 43  ? -22.571 6.99    -7.201  1   20.281  ? 55  VAL   B HG22 1 c 
ATOM   617  H HG23 . VAL   A 1 43  ? -23.897 6.22    -7.608  1   20.423  ? 55  VAL   B HG23 1 c 
ATOM   618  N N    . HIS   A 1 44  ? -22.857 9.622   -5.414  1   21.11   ? 56  HIS   B N    1 ? 
ATOM   619  C CA   . HIS   A 1 44  ? -21.572 10.191  -5.8    1   22.522  ? 56  HIS   B CA   1 ? 
ATOM   620  C C    . HIS   A 1 44  ? -20.488 9.218   -5.369  1   19.736  ? 56  HIS   B C    1 ? 
ATOM   621  O O    . HIS   A 1 44  ? -20.673 8.472   -4.417  1   20.67   ? 56  HIS   B O    1 ? 
ATOM   622  C CB   . HIS   A 1 44  ? -21.377 11.624  -5.248  1   24.289  ? 56  HIS   B CB   1 ? 
ATOM   623  C CG   . HIS   A 1 44  ? -21.884 12.679  -6.162  1   27.99   ? 56  HIS   B CG   1 ? 
ATOM   624  N ND1  . HIS   A 1 44  ? -21.42  12.822  -7.454  1   28.977  ? 56  HIS   B ND1  1 ? 
ATOM   625  C CD2  . HIS   A 1 44  ? -22.801 13.66   -5.974  1   29.804  ? 56  HIS   B CD2  1 ? 
ATOM   626  C CE1  . HIS   A 1 44  ? -22.017 13.875  -8.005  1   31.259  ? 56  HIS   B CE1  1 ? 
ATOM   627  N NE2  . HIS   A 1 44  ? -22.882 14.372  -7.138  1   31.39   ? 56  HIS   B NE2  1 ? 
ATOM   628  H H    . HIS   A 1 44  ? -23.068 9.585   -4.525  1   21.302  ? 56  HIS   B H    1 c 
ATOM   629  H HA   . HIS   A 1 44  ? -21.557 10.241  -6.786  1   22.223  ? 56  HIS   B HA   1 c 
ATOM   630  H HB2  . HIS   A 1 44  ? -21.843 11.696  -4.386  1   24.509  ? 56  HIS   B HB2  1 c 
ATOM   631  H HB3  . HIS   A 1 44  ? -20.42  11.773  -5.087  1   24.528  ? 56  HIS   B HB3  1 c 
ATOM   632  H HD1  . HIS   A 1 44  ? -20.846 12.297  -7.851  0   28.78   ? 56  HIS   B HD1  1 c 
ATOM   633  H HD2  . HIS   A 1 44  ? -23.299 13.821  -5.197  1   29.742  ? 56  HIS   B HD2  1 c 
ATOM   634  H HE1  . HIS   A 1 44  ? -21.89  14.174  -8.889  1   30.647  ? 56  HIS   B HE1  1 c 
ATOM   635  H HE2  . HIS   A 1 44  ? -23.416 15.048  -7.282  0   31.58   ? 56  HIS   B HE2  1 c 
ATOM   636  N N    . TYR   A 1 45  ? -19.403 9.161   -6.14   1   18.966  ? 57  TYR   B N    1 ? 
ATOM   637  C CA   . TYR   A 1 45  ? -18.344 8.227   -5.832  1   18.993  ? 57  TYR   B CA   1 ? 
ATOM   638  C C    . TYR   A 1 45  ? -17.014 8.773   -6.339  1   20.122  ? 57  TYR   B C    1 ? 
ATOM   639  O O    . TYR   A 1 45  ? -16.939 9.568   -7.281  1   22.082  ? 57  TYR   B O    1 ? 
ATOM   640  C CB   . TYR   A 1 45  ? -18.592 6.809   -6.384  1   19.013  ? 57  TYR   B CB   1 ? 
ATOM   641  C CG   . TYR   A 1 45  ? -18.353 6.721   -7.883  1   20.015  ? 57  TYR   B CG   1 ? 
ATOM   642  C CD1  . TYR   A 1 45  ? -17.108 6.396   -8.383  1   19.576  ? 57  TYR   B CD1  1 ? 
ATOM   643  C CD2  . TYR   A 1 45  ? -19.382 6.963   -8.796  1   19.628  ? 57  TYR   B CD2  1 ? 
ATOM   644  C CE1  . TYR   A 1 45  ? -16.866 6.371   -9.741  1   20.379  ? 57  TYR   B CE1  1 ? 
ATOM   645  C CE2  . TYR   A 1 45  ? -19.142 6.941   -10.159 1   20.422  ? 57  TYR   B CE2  1 ? 
ATOM   646  C CZ   . TYR   A 1 45  ? -17.889 6.624   -10.638 1   20.002  ? 57  TYR   B CZ   1 ? 
ATOM   647  O OH   . TYR   A 1 45  ? -17.687 6.623   -12.012 1   22.762  ? 57  TYR   B OH   1 ? 
ATOM   648  H H    . TYR   A 1 45  ? -19.323 9.71    -6.867  1   19.089  ? 57  TYR   B H    1 c 
ATOM   649  H HA   . TYR   A 1 45  ? -18.286 8.16    -4.844  1   19.226  ? 57  TYR   B HA   1 c 
ATOM   650  H HB2  . TYR   A 1 45  ? -17.992 6.181   -5.924  1   19.257  ? 57  TYR   B HB2  1 c 
ATOM   651  H HB3  . TYR   A 1 45  ? -19.52  6.551   -6.189  1   19.157  ? 57  TYR   B HB3  1 c 
ATOM   652  H HD1  . TYR   A 1 45  ? -16.396 6.237   -7.784  1   19.882  ? 57  TYR   B HD1  1 c 
ATOM   653  H HD2  . TYR   A 1 45  ? -20.24  7.198   -8.48   1   19.926  ? 57  TYR   B HD2  1 c 
ATOM   654  H HE1  . TYR   A 1 45  ? -16.005 6.161   -10.06  1   20.182  ? 57  TYR   B HE1  1 c 
ATOM   655  H HE2  . TYR   A 1 45  ? -19.841 7.121   -10.763 1   20.076  ? 57  TYR   B HE2  1 c 
ATOM   656  H HH   . TYR   A 1 45  ? -16.856 6.444   -12.188 0   22.83   ? 57  TYR   B HH   1 c 
ATOM   657  N N    . LYS   A 1 46  ? -15.966 8.333   -5.651  1   21.757  ? 58  LYS   B N    1 ? 
ATOM   658  C CA   . LYS   A 1 46  ? -14.586 8.454   -6.086  1   24.156  ? 58  LYS   B CA   1 ? 
ATOM   659  C C    . LYS   A 1 46  ? -14.045 7.028   -6.103  1   24.365  ? 58  LYS   B C    1 ? 
ATOM   660  O O    . LYS   A 1 46  ? -14.118 6.326   -5.113  1   26.513  ? 58  LYS   B O    1 ? 
ATOM   661  C CB   . LYS   A 1 46  ? -13.772 9.276   -5.064  1   26.184  ? 58  LYS   B CB   1 ? 
ATOM   662  H H    . LYS   A 1 46  ? -16.123 7.926   -4.847  1   21.637  ? 58  LYS   B H    1 c 
ATOM   663  H HA   . LYS   A 1 46  ? -14.551 8.85    -6.994  1   23.417  ? 58  LYS   B HA   1 c 
ATOM   664  H HB2  . LYS   A 1 46  ? -12.827 9.13    -5.216  0   25.37   ? 58  LYS   B HB2  1 c 
ATOM   665  H HB3  . LYS   A 1 46  ? -14.41  9.734   -4.452  0   25.37   ? 58  LYS   B HB3  1 c 
ATOM   666  N N    . GLY   A 1 47  ? -13.474 6.599   -7.215  1   23.276  ? 59  GLY   B N    1 ? 
ATOM   667  C CA   . GLY   A 1 47  ? -12.952 5.26    -7.336  1   24.048  ? 59  GLY   B CA   1 ? 
ATOM   668  C C    . GLY   A 1 47  ? -11.551 5.314   -7.885  1   23.368  ? 59  GLY   B C    1 ? 
ATOM   669  O O    . GLY   A 1 47  ? -11.19  6.232   -8.601  1   28.793  ? 59  GLY   B O    1 ? 
ATOM   670  H H    . GLY   A 1 47  ? -13.404 7.164   -7.93   1   23.181  ? 59  GLY   B H    1 c 
ATOM   671  H HA2  . GLY   A 1 47  ? -12.951 4.824   -6.456  1   24.012  ? 59  GLY   B HA2  1 c 
ATOM   672  H HA3  . GLY   A 1 47  ? -13.529 4.737   -7.941  1   23.731  ? 59  GLY   B HA3  1 c 
ATOM   673  N N    . LYS   A 1 48  ? -10.781 4.282   -7.597  1   19.851  ? 60  LYS   B N    1 ? 
ATOM   674  C CA   . LYS   A 1 48  ? -9.429  4.162   -8.113  1   21.523  ? 60  LYS   B CA   1 ? 
ATOM   675  C C    . LYS   A 1 48  ? -8.992  2.71    -8.045  1   20.751  ? 60  LYS   B C    1 ? 
ATOM   676  O O    . LYS   A 1 48  ? -9.564  1.897   -7.335  1   19.479  ? 60  LYS   B O    1 ? 
ATOM   677  C CB   . LYS   A 1 48  ? -8.416  5.044   -7.359  1   21.685  ? 60  LYS   B CB   1 ? 
ATOM   678  C CG   . LYS   A 1 48  ? -8.286  4.755   -5.891  1   23.861  ? 60  LYS   B CG   1 ? 
ATOM   679  C CD   . LYS   A 1 48  ? -7.148  5.553   -5.253  1   27.087  ? 60  LYS   B CD   1 ? 
ATOM   680  C CE   . LYS   A 1 48  ? -7.148  5.427   -3.741  1   33.975  ? 60  LYS   B CE   1 ? 
ATOM   681  N NZ   . LYS   A 1 48  ? -5.951  6.06    -3.144  1   38.653  ? 60  LYS   B NZ   1 ? 
ATOM   682  H H    . LYS   A 1 48  ? -11.104 3.62    -7.055  1   20.741  ? 60  LYS   B H    1 c 
ATOM   683  H HA   . LYS   A 1 48  ? -9.439  4.439   -9.064  1   20.952  ? 60  LYS   B HA   1 c 
ATOM   684  H HB2  . LYS   A 1 48  ? -7.534  4.933   -7.772  1   21.859  ? 60  LYS   B HB2  1 c 
ATOM   685  H HB3  . LYS   A 1 48  ? -8.678  5.984   -7.466  1   22.047  ? 60  LYS   B HB3  1 c 
ATOM   686  H HG2  . LYS   A 1 48  ? -9.132  4.981   -5.445  1   24.069  ? 60  LYS   B HG2  1 c 
ATOM   687  H HG3  . LYS   A 1 48  ? -8.119  3.796   -5.766  1   23.818  ? 60  LYS   B HG3  1 c 
ATOM   688  H HD2  . LYS   A 1 48  ? -6.292  5.225   -5.602  1   27.331  ? 60  LYS   B HD2  1 c 
ATOM   689  H HD3  . LYS   A 1 48  ? -7.238  6.499   -5.498  1   27.279  ? 60  LYS   B HD3  1 c 
ATOM   690  H HE2  . LYS   A 1 48  ? -7.946  5.854   -3.38   1   33.245  ? 60  LYS   B HE2  1 c 
ATOM   691  H HE3  . LYS   A 1 48  ? -7.168  4.486   -3.491  1   33.461  ? 60  LYS   B HE3  1 c 
ATOM   692  H HZ1  . LYS   A 1 48  ? -5.907  6.929   -3.396  1   37.179  ? 60  LYS   B HZ1  1 c 
ATOM   693  H HZ2  . LYS   A 1 48  ? -5.205  5.63    -3.425  1   37.455  ? 60  LYS   B HZ2  1 c 
ATOM   694  H HZ3  . LYS   A 1 48  ? -5.999  6.014   -2.241  1   37.886  ? 60  LYS   B HZ3  1 c 
ATOM   695  N N    . LEU   A 1 49  ? -8.005  2.367   -8.866  1   20.814  ? 61  LEU   B N    1 ? 
ATOM   696  C CA   . LEU   A 1 49  ? -7.213  1.171   -8.655  1   20.637  ? 61  LEU   B CA   1 ? 
ATOM   697  C C    . LEU   A 1 49  ? -6.555  1.313   -7.286  1   22.069  ? 61  LEU   B C    1 ? 
ATOM   698  O O    . LEU   A 1 49  ? -6.11   2.399   -6.936  1   24.169  ? 61  LEU   B O    1 ? 
ATOM   699  C CB   . LEU   A 1 49  ? -6.166  0.978   -9.749  1   23.067  ? 61  LEU   B CB   1 ? 
ATOM   700  C CG   . LEU   A 1 49  ? -6.681  0.982   -11.188 1   24.064  ? 61  LEU   B CG   1 ? 
ATOM   701  C CD1  . LEU   A 1 49  ? -5.508  0.783   -12.155 1   26.21   ? 61  LEU   B CD1  1 ? 
ATOM   702  C CD2  . LEU   A 1 49  ? -7.762  -0.055  -11.415 1   24.513  ? 61  LEU   B CD2  1 ? 
ATOM   703  H H    . LEU   A 1 49  ? -7.812  2.904   -9.579  1   20.627  ? 61  LEU   B H    1 c 
ATOM   704  H HA   . LEU   A 1 49  ? -7.821  0.389   -8.64   1   21.17   ? 61  LEU   B HA   1 c 
ATOM   705  H HB2  . LEU   A 1 49  ? -5.493  1.692   -9.659  1   22.849  ? 61  LEU   B HB2  1 c 
ATOM   706  H HB3  . LEU   A 1 49  ? -5.709  0.12    -9.586  1   22.67   ? 61  LEU   B HB3  1 c 
ATOM   707  H HG   . LEU   A 1 49  ? -7.074  1.874   -11.371 1   24.35   ? 61  LEU   B HG   1 c 
ATOM   708  H HD11 . LEU   A 1 49  ? -4.862  1.5     -12.035 1   25.803  ? 61  LEU   B HD11 1 c 
ATOM   709  H HD12 . LEU   A 1 49  ? -5.835  0.794   -13.07  1   25.809  ? 61  LEU   B HD12 1 c 
ATOM   710  H HD13 . LEU   A 1 49  ? -5.079  -0.071  -11.975 1   25.693  ? 61  LEU   B HD13 1 c 
ATOM   711  H HD21 . LEU   A 1 49  ? -8.535  0.154   -10.866 1   24.427  ? 61  LEU   B HD21 1 c 
ATOM   712  H HD22 . LEU   A 1 49  ? -7.424  -0.934  -11.177 1   24.321  ? 61  LEU   B HD22 1 c 
ATOM   713  H HD23 . LEU   A 1 49  ? -8.022  -0.053  -12.352 1   24.313  ? 61  LEU   B HD23 1 c 
ATOM   714  N N    . SER   A 1 50  ? -6.526  0.227   -6.519  1   22.174  ? 62  SER   B N    1 ? 
ATOM   715  C CA   . SER   A 1 50  ? -6.136  0.37    -5.124  1   23.945  ? 62  SER   B CA   1 ? 
ATOM   716  C C    . SER   A 1 50  ? -4.697  0.859   -5.012  1   25.705  ? 62  SER   B C    1 ? 
ATOM   717  O O    . SER   A 1 50  ? -4.345  1.451   -3.988  1   28.951  ? 62  SER   B O    1 ? 
ATOM   718  C CB   . SER   A 1 50  ? -6.36   -0.889  -4.342  1   28.055  ? 62  SER   B CB   1 ? 
ATOM   719  O OG   . SER   A 1 50  ? -5.547  -1.949  -4.785  1   29.209  ? 62  SER   B OG   1 ? 
ATOM   720  H H    . SER   A 1 50  ? -6.742  -0.596  -6.853  1   22.447  ? 62  SER   B H    1 c 
ATOM   721  H HA   . SER   A 1 50  ? -6.716  1.07    -4.728  1   24.467  ? 62  SER   B HA   1 c 
ATOM   722  H HB2  . SER   A 1 50  ? -6.176  -0.717  -3.4    1   27.088  ? 62  SER   B HB2  1 c 
ATOM   723  H HB3  . SER   A 1 50  ? -7.298  -1.151  -4.421  1   27.789  ? 62  SER   B HB3  1 c 
ATOM   724  H HG   . SER   A 1 50  ? -5.716  -2.652  -4.32   0   29.46   ? 62  SER   B HG   1 c 
ATOM   725  N N    . ASN   A 1 51  ? -3.867  0.64    -6.038  1   28.504  ? 63  ASN   B N    1 ? 
ATOM   726  C CA   . ASN   A 1 51  ? -2.504  1.147   -6.052  1   33.075  ? 63  ASN   B CA   1 ? 
ATOM   727  C C    . ASN   A 1 51  ? -2.398  2.593   -6.55   1   36.03   ? 63  ASN   B C    1 ? 
ATOM   728  O O    . ASN   A 1 51  ? -1.302  3.033   -6.881  1   44.227  ? 63  ASN   B O    1 ? 
ATOM   729  C CB   . ASN   A 1 51  ? -1.635  0.238   -6.898  1   37.841  ? 63  ASN   B CB   1 ? 
ATOM   730  C CG   . ASN   A 1 51  ? -2.053  0.289   -8.341  1   39.933  ? 63  ASN   B CG   1 ? 
ATOM   731  O OD1  . ASN   A 1 51  ? -2.793  1.206   -8.743  1   38.338  ? 63  ASN   B OD1  1 ? 
ATOM   732  N ND2  . ASN   A 1 51  ? -1.59   -0.684  -9.113  1   45.355  ? 63  ASN   B ND2  1 ? 
ATOM   733  H H    . ASN   A 1 51  ? -4.157  0.144   -6.749  1   28.862  ? 63  ASN   B H    1 c 
ATOM   734  H HA   . ASN   A 1 51  ? -2.155  1.112   -5.133  1   32.871  ? 63  ASN   B HA   1 c 
ATOM   735  H HB2  . ASN   A 1 51  ? -0.7    0.514   -6.82   1   36.825  ? 63  ASN   B HB2  1 c 
ATOM   736  H HB3  . ASN   A 1 51  ? -1.711  -0.681  -6.571  1   37.466  ? 63  ASN   B HB3  1 c 
ATOM   737  H HD21 . ASN   A 1 51  ? -1.801  -0.701  -9.975  1   44.15   ? 63  ASN   B HD21 1 c 
ATOM   738  H HD22 . ASN   A 1 51  ? -1.071  -1.316  -8.771  1   43.849  ? 63  ASN   B HD22 1 c 
ATOM   739  N N    . GLY   A 1 52  ? -3.494  3.352   -6.592  1   37.458  ? 64  GLY   B N    1 ? 
ATOM   740  C CA   . GLY   A 1 52  ? -3.436  4.791   -6.829  1   33.397  ? 64  GLY   B CA   1 ? 
ATOM   741  C C    . GLY   A 1 52  ? -3.177  5.136   -8.3    1   39.001  ? 64  GLY   B C    1 ? 
ATOM   742  O O    . GLY   A 1 52  ? -2.98   6.296   -8.599  1   44.084  ? 64  GLY   B O    1 ? 
ATOM   743  H H    . GLY   A 1 52  ? -4.313  2.964   -6.477  1   36.502  ? 64  GLY   B H    1 c 
ATOM   744  H HA2  . GLY   A 1 52  ? -4.288  5.195   -6.546  1   34.715  ? 64  GLY   B HA2  1 c 
ATOM   745  H HA3  . GLY   A 1 52  ? -2.72   5.179   -6.272  1   34.534  ? 64  GLY   B HA3  1 c 
ATOM   746  N N    . LYS   A 1 53  ? -3.14   4.146   -9.225  1   39.086  ? 65  LYS   B N    1 ? 
ATOM   747  C CA   . LYS   A 1 53  ? -2.554  4.378   -10.55  1   39.678  ? 65  LYS   B CA   1 ? 
ATOM   748  C C    . LYS   A 1 53  ? -3.549  5.052   -11.514 1   41.278  ? 65  LYS   B C    1 ? 
ATOM   749  O O    . LYS   A 1 53  ? -3.131  5.642   -12.516 1   49.291  ? 65  LYS   B O    1 ? 
ATOM   750  C CB   . LYS   A 1 53  ? -1.911  3.113   -11.151 1   42.445  ? 65  LYS   B CB   1 ? 
ATOM   751  H H    . LYS   A 1 53  ? -3.497  3.327   -9.034  1   39.453  ? 65  LYS   B H    1 c 
ATOM   752  H HA   . LYS   A 1 53  ? -1.804  5.014   -10.425 1   40.122  ? 65  LYS   B HA   1 c 
ATOM   753  H HB2  . LYS   A 1 53  ? -0.988  3.167   -11.125 0   42.55   ? 65  LYS   B HB2  1 c 
ATOM   754  H HB3  . LYS   A 1 53  ? -2.697  2.514   -11.452 0   42.55   ? 65  LYS   B HB3  1 c 
ATOM   755  N N    . LYS   A 1 54  ? -4.861  4.939   -11.259 1   38.203  ? 66  LYS   B N    1 ? 
ATOM   756  C CA   . LYS   A 1 54  ? -5.911  5.525   -12.1   1   35.391  ? 66  LYS   B CA   1 ? 
ATOM   757  C C    . LYS   A 1 54  ? -7.099  5.869   -11.198 1   35.004  ? 66  LYS   B C    1 ? 
ATOM   758  O O    . LYS   A 1 54  ? -7.35   5.098   -10.296 1   37.154  ? 66  LYS   B O    1 ? 
ATOM   759  C CB   . LYS   A 1 54  ? -6.408  4.512   -13.146 1   36.978  ? 66  LYS   B CB   1 ? 
ATOM   760  H H    . LYS   A 1 54  ? -5.12   4.46    -10.524 1   37.923  ? 66  LYS   B H    1 c 
ATOM   761  H HA   . LYS   A 1 54  ? -5.566  6.346   -12.534 1   35.858  ? 66  LYS   B HA   1 c 
ATOM   762  H HB2  . LYS   A 1 54  ? -5.593  4.121   -13.57  0   37.41   ? 66  LYS   B HB2  1 c 
ATOM   763  H HB3  . LYS   A 1 54  ? -7.363  4.512   -13.16  0   37.41   ? 66  LYS   B HB3  1 c 
ATOM   764  N N    A PHE   A 1 55  ? -7.806  6.964   -11.5   0.5 33.614  ? 67  PHE   B N    1 ? 
ATOM   765  N N    B PHE   A 1 55  ? -7.8    6.979   -11.476 0.5 37.389  ? 67  PHE   B N    1 ? 
ATOM   766  C CA   A PHE   A 1 55  ? -8.865  7.521   -10.674 0.5 31.424  ? 67  PHE   B CA   1 ? 
ATOM   767  C CA   B PHE   A 1 55  ? -8.853  7.532   -10.631 0.5 37.1    ? 67  PHE   B CA   1 ? 
ATOM   768  C C    A PHE   A 1 55  ? -10.08  7.864   -11.54  0.5 29.794  ? 67  PHE   B C    1 ? 
ATOM   769  C C    B PHE   A 1 55  ? -10.058 7.915   -11.504 0.5 33.035  ? 67  PHE   B C    1 ? 
ATOM   770  O O    A PHE   A 1 55  ? -9.952  8.114   -12.75  0.5 32.829  ? 67  PHE   B O    1 ? 
ATOM   771  O O    B PHE   A 1 55  ? -9.904  8.217   -12.697 0.5 35.872  ? 67  PHE   B O    1 ? 
ATOM   772  C CB   A PHE   A 1 55  ? -8.422  8.83    -10.01  0.5 27.21   ? 67  PHE   B CB   1 ? 
ATOM   773  C CB   B PHE   A 1 55  ? -8.335  8.777   -9.892  0.5 36.795  ? 67  PHE   B CB   1 ? 
ATOM   774  C CG   A PHE   A 1 55  ? -7.19   8.718   -9.133  0.5 26.826  ? 67  PHE   B CG   1 ? 
ATOM   775  C CG   B PHE   A 1 55  ? -8.744  8.895   -8.428  0.5 41.626  ? 67  PHE   B CG   1 ? 
ATOM   776  C CD1  A PHE   A 1 55  ? -5.926  8.614   -9.702  0.5 25.581  ? 67  PHE   B CD1  1 ? 
ATOM   777  C CD1  B PHE   A 1 55  ? -10.073 9.051   -8.049  0.5 42.954  ? 67  PHE   B CD1  1 ? 
ATOM   778  C CD2  A PHE   A 1 55  ? -7.284  8.846   -7.753  0.5 31.675  ? 67  PHE   B CD2  1 ? 
ATOM   779  C CD2  B PHE   A 1 55  ? -7.78   8.911   -7.42   0.5 44.929  ? 67  PHE   B CD2  1 ? 
ATOM   780  C CE1  A PHE   A 1 55  ? -4.81   8.484   -8.909  0.5 27.736  ? 67  PHE   B CE1  1 ? 
ATOM   781  C CE1  B PHE   A 1 55  ? -10.422 9.141   -6.71   0.5 45.97   ? 67  PHE   B CE1  1 ? 
ATOM   782  C CE2  A PHE   A 1 55  ? -6.142  8.78    -6.971  0.5 31.101  ? 67  PHE   B CE2  1 ? 
ATOM   783  C CE2  B PHE   A 1 55  ? -8.138  9.022   -6.079  0.5 43.064  ? 67  PHE   B CE2  1 ? 
ATOM   784  C CZ   A PHE   A 1 55  ? -4.919  8.6     -7.551  0.5 28.228  ? 67  PHE   B CZ   1 ? 
ATOM   785  C CZ   B PHE   A 1 55  ? -9.456  9.128   -5.725  0.5 42.392  ? 67  PHE   B CZ   1 ? 
ATOM   786  H H    A PHE   A 1 55  ? -7.609  7.394   -12.282 0.5 33.744  ? 67  PHE   B H    1 c 
ATOM   787  H H    B PHE   A 1 55  ? -7.606  7.419   -12.253 0.5 37.241  ? 67  PHE   B H    1 c 
ATOM   788  H HA   A PHE   A 1 55  ? -9.126  6.865   -9.977  0.5 31.022  ? 67  PHE   B HA   1 c 
ATOM   789  H HA   B PHE   A 1 55  ? -9.132  6.849   -9.967  0.5 36.6    ? 67  PHE   B HA   1 c 
ATOM   790  H HB2  A PHE   A 1 55  ? -8.248  9.492   -10.715 0.5 27.618  ? 67  PHE   B HB2  1 c 
ATOM   791  H HB2  B PHE   A 1 55  ? -7.353  8.778   -9.943  0.5 37.677  ? 67  PHE   B HB2  1 c 
ATOM   792  H HB3  A PHE   A 1 55  ? -9.167  9.167   -9.464  0.5 27.737  ? 67  PHE   B HB3  1 c 
ATOM   793  H HB3  B PHE   A 1 55  ? -8.654  9.574   -10.371 0.5 37.361  ? 67  PHE   B HB3  1 c 
ATOM   794  H HD1  A PHE   A 1 55  ? -5.846  8.517   -10.637 0.5 25.533  ? 67  PHE   B HD1  1 c 
ATOM   795  H HD1  B PHE   A 1 55  ? -10.748 9.041   -8.707  0.5 43.011  ? 67  PHE   B HD1  1 c 
ATOM   796  H HD2  A PHE   A 1 55  ? -8.129  8.956   -7.347  0.5 30.315  ? 67  PHE   B HD2  1 c 
ATOM   797  H HD2  B PHE   A 1 55  ? -6.87   8.819   -7.652  0.5 43.456  ? 67  PHE   B HD2  1 c 
ATOM   798  H HE1  A PHE   A 1 55  ? -3.96   8.395   -9.308  0.5 27.13   ? 67  PHE   B HE1  1 c 
ATOM   799  H HE1  B PHE   A 1 55  ? -11.329 9.229   -6.472  0.5 44.324  ? 67  PHE   B HE1  1 c 
ATOM   800  H HE2  A PHE   A 1 55  ? -6.215  8.832   -6.034  0.5 30.7    ? 67  PHE   B HE2  1 c 
ATOM   801  H HE2  B PHE   A 1 55  ? -7.47   9.01    -5.412  0.5 43.143  ? 67  PHE   B HE2  1 c 
ATOM   802  H HZ   A PHE   A 1 55  ? -4.145  8.553   -7.013  0.5 28.558  ? 67  PHE   B HZ   1 c 
ATOM   803  H HZ   B PHE   A 1 55  ? -9.699  9.215   -4.817  0.5 43.357  ? 67  PHE   B HZ   1 c 
ATOM   804  N N    . ASP   A 1 56  ? -11.252 7.928   -10.894 1   26.995  ? 68  ASP   B N    1 ? 
ATOM   805  C CA   . ASP   A 1 56  ? -12.493 8.279   -11.576 1   24.671  ? 68  ASP   B CA   1 ? 
ATOM   806  C C    . ASP   A 1 56  ? -13.5   8.729   -10.523 1   25.379  ? 68  ASP   B C    1 ? 
ATOM   807  O O    . ASP   A 1 56  ? -13.775 8.029   -9.562  1   25.169  ? 68  ASP   B O    1 ? 
ATOM   808  C CB   . ASP   A 1 56  ? -13.073 7.082   -12.33  1   26.1    ? 68  ASP   B CB   1 ? 
ATOM   809  C CG   . ASP   A 1 56  ? -14.523 7.167   -12.789 1   25.284  ? 68  ASP   B CG   1 ? 
ATOM   810  O OD1  . ASP   A 1 56  ? -14.905 8.206   -13.37  1   31.855  ? 68  ASP   B OD1  1 ? 
ATOM   811  O OD2  . ASP   A 1 56  ? -15.288 6.184   -12.545 1   25.322  ? 68  ASP   B OD2  1 ? 
ATOM   812  H H    A ASP   A 1 56  ? -11.278 7.745   -9.999  0.5 27.196  ? 68  ASP   B H    1 c 
ATOM   813  H H    B ASP   A 1 56  ? -11.292 7.705   -10.009 0.5 27.364  ? 68  ASP   B H    1 c 
ATOM   814  H HA   . ASP   A 1 56  ? -12.319 9.019   -12.201 1   24.942  ? 68  ASP   B HA   1 c 
ATOM   815  H HB2  . ASP   A 1 56  ? -12.52  6.928   -13.125 1   25.932  ? 68  ASP   B HB2  1 c 
ATOM   816  H HB3  . ASP   A 1 56  ? -12.988 6.292   -11.756 1   26.039  ? 68  ASP   B HB3  1 c 
ATOM   817  N N    . SER   A 1 57  ? -14.141 9.869   -10.742 1   26.857  ? 69  SER   B N    1 ? 
ATOM   818  C CA   . SER   A 1 57  ? -15.177 10.34   -9.838  1   26.848  ? 69  SER   B CA   1 ? 
ATOM   819  C C    . SER   A 1 57  ? -16.37  10.808  -10.639 1   24.847  ? 69  SER   B C    1 ? 
ATOM   820  O O    . SER   A 1 57  ? -16.221 11.435  -11.677 1   27.639  ? 69  SER   B O    1 ? 
ATOM   821  C CB   . SER   A 1 57  ? -14.68  11.45   -8.909  1   27.77   ? 69  SER   B CB   1 ? 
ATOM   822  O OG   . SER   A 1 57  ? -15.721 12.033  -8.12   1   28.203  ? 69  SER   B OG   1 ? 
ATOM   823  H H    . SER   A 1 57  ? -13.93  10.374  -11.475 1   26.32   ? 69  SER   B H    1 c 
ATOM   824  H HA   . SER   A 1 57  ? -15.466 9.576   -9.28   1   26.478  ? 69  SER   B HA   1 c 
ATOM   825  H HB2  . SER   A 1 57  ? -13.998 11.084  -8.314  1   27.799  ? 69  SER   B HB2  1 c 
ATOM   826  H HB3  . SER   A 1 57  ? -14.259 12.148  -9.446  1   27.999  ? 69  SER   B HB3  1 c 
ATOM   827  H HG   . SER   A 1 57  ? -15.379 12.635  -7.632  0   28.32   ? 69  SER   B HG   1 c 
ATOM   828  N N    . SER   A 1 58  ? -17.563 10.55   -10.103 1   23.835  ? 70  SER   B N    1 ? 
ATOM   829  C CA   . SER   A 1 58  ? -18.777 11.148  -10.613 1   25.107  ? 70  SER   B CA   1 ? 
ATOM   830  C C    . SER   A 1 58  ? -18.681 12.676  -10.685 1   25.65   ? 70  SER   B C    1 ? 
ATOM   831  O O    . SER   A 1 58  ? -19.255 13.291  -11.589 1   27.718  ? 70  SER   B O    1 ? 
ATOM   832  C CB   . SER   A 1 58  ? -19.943 10.717  -9.768  1   24.256  ? 70  SER   B CB   1 ? 
ATOM   833  O OG   . SER   A 1 58  ? -19.692 10.993  -8.392  1   22.655  ? 70  SER   B OG   1 ? 
ATOM   834  H H    . SER   A 1 58  ? -17.62  9.978   -9.393  1   24.214  ? 70  SER   B H    1 c 
ATOM   835  H HA   . SER   A 1 58  ? -18.92  10.808  -11.532 1   24.749  ? 70  SER   B HA   1 c 
ATOM   836  H HB2  . SER   A 1 58  ? -20.745 11.192  -10.054 1   24.212  ? 70  SER   B HB2  1 c 
ATOM   837  H HB3  . SER   A 1 58  ? -20.093 9.76    -9.886  1   23.823  ? 70  SER   B HB3  1 c 
ATOM   838  H HG   . SER   A 1 58  ? -20.35  10.752  -7.938  0   22.83   ? 70  SER   B HG   1 c 
ATOM   839  N N    . HIS   A 1 59  ? -17.924 13.314  -9.779  1   25.718  ? 71  HIS   B N    1 ? 
ATOM   840  C CA   . HIS   A 1 59  ? -17.826 14.767  -9.769  1   26.843  ? 71  HIS   B CA   1 ? 
ATOM   841  C C    . HIS   A 1 59  ? -17.087 15.25   -11.008 1   28.447  ? 71  HIS   B C    1 ? 
ATOM   842  O O    . HIS   A 1 59  ? -17.233 16.393  -11.411 1   29.435  ? 71  HIS   B O    1 ? 
ATOM   843  C CB   . HIS   A 1 59  ? -17.142 15.252  -8.484  1   28.398  ? 71  HIS   B CB   1 ? 
ATOM   844  C CG   . HIS   A 1 59  ? -17.953 14.98   -7.255  1   28.251  ? 71  HIS   B CG   1 ? 
ATOM   845  N ND1  . HIS   A 1 59  ? -19.222 15.498  -7.09   1   28.725  ? 71  HIS   B ND1  1 ? 
ATOM   846  C CD2  . HIS   A 1 59  ? -17.692 14.278  -6.142  1   29.887  ? 71  HIS   B CD2  1 ? 
ATOM   847  C CE1  . HIS   A 1 59  ? -19.704 15.086  -5.933  1   31.412  ? 71  HIS   B CE1  1 ? 
ATOM   848  N NE2  . HIS   A 1 59  ? -18.787 14.354  -5.335  1   30.423  ? 71  HIS   B NE2  1 ? 
ATOM   849  H H    . HIS   A 1 59  ? -17.468 12.836  -9.148  1   25.947  ? 71  HIS   B H    1 c 
ATOM   850  H HA   . HIS   A 1 59  ? -18.744 15.134  -9.794  1   27.098  ? 71  HIS   B HA   1 c 
ATOM   851  H HB2  . HIS   A 1 59  ? -16.272 14.803  -8.4    1   28.272  ? 71  HIS   B HB2  1 c 
ATOM   852  H HB3  . HIS   A 1 59  ? -16.981 16.218  -8.555  1   28.14   ? 71  HIS   B HB3  1 c 
ATOM   853  H HD1  . HIS   A 1 59  ? -19.645 15.981  -7.685  0   28.73   ? 71  HIS   B HD1  1 c 
ATOM   854  H HD2  . HIS   A 1 59  ? -16.905 13.806  -5.951  1   29.684  ? 71  HIS   B HD2  1 c 
ATOM   855  H HE1  . HIS   A 1 59  ? -20.55  15.305  -5.583  1   30.145  ? 71  HIS   B HE1  1 c 
ATOM   856  H HE2  . HIS   A 1 59  ? -18.865 13.973  -4.55   0   30.95   ? 71  HIS   B HE2  1 c 
ATOM   857  N N    . ASP   A 1 60  ? -16.285 14.377  -11.626 1   30.696  ? 72  ASP   B N    1 ? 
ATOM   858  C CA   . ASP   A 1 60  ? -15.601 14.726  -12.872 1   35.918  ? 72  ASP   B CA   1 ? 
ATOM   859  C C    . ASP   A 1 60  ? -16.613 15.054  -13.971 1   36.132  ? 72  ASP   B C    1 ? 
ATOM   860  O O    . ASP   A 1 60  ? -16.303 15.828  -14.879 1   41.375  ? 72  ASP   B O    1 ? 
ATOM   861  C CB   . ASP   A 1 60  ? -14.694 13.6    -13.369 1   39.914  ? 72  ASP   B CB   1 ? 
ATOM   862  C CG   . ASP   A 1 60  ? -13.573 13.123  -12.448 1   37.334  ? 72  ASP   B CG   1 ? 
ATOM   863  O OD1  . ASP   A 1 60  ? -13.144 13.919  -11.582 1   40.124  ? 72  ASP   B OD1  1 ? 
ATOM   864  O OD2  . ASP   A 1 60  ? -13.146 11.929  -12.587 1   34.866  ? 72  ASP   B OD2  1 ? 
ATOM   865  H H    . ASP   A 1 60  ? -16.141 13.552  -11.261 1   30.65   ? 72  ASP   B H    1 c 
ATOM   866  H HA   . ASP   A 1 60  ? -15.045 15.521  -12.709 1   35.466  ? 72  ASP   B HA   1 c 
ATOM   867  H HB2  . ASP   A 1 60  ? -15.255 12.827  -13.586 1   38.726  ? 72  ASP   B HB2  1 c 
ATOM   868  H HB3  . ASP   A 1 60  ? -14.277 13.899  -14.204 1   39.122  ? 72  ASP   B HB3  1 c 
ATOM   869  N N    . ARG   A 1 61  ? -17.807 14.448  -13.893 1   33.003  ? 73  ARG   B N    1 ? 
ATOM   870  C CA   . ARG   A 1 61  ? -18.836 14.606  -14.901 1   34.216  ? 73  ARG   B CA   1 ? 
ATOM   871  C C    . ARG   A 1 61  ? -19.948 15.527  -14.411 1   34.195  ? 73  ARG   B C    1 ? 
ATOM   872  O O    . ARG   A 1 61  ? -20.959 15.714  -15.104 1   36.796  ? 73  ARG   B O    1 ? 
ATOM   873  C CB   . ARG   A 1 61  ? -19.369 13.221  -15.252 1   34.501  ? 73  ARG   B CB   1 ? 
ATOM   874  C CG   . ARG   A 1 61  ? -18.284 12.37   -15.909 1   35.842  ? 73  ARG   B CG   1 ? 
ATOM   875  C CD   . ARG   A 1 61  ? -18.833 10.997  -16.269 1   34.817  ? 73  ARG   B CD   1 ? 
ATOM   876  N NE   . ARG   A 1 61  ? -19.251 10.252  -15.071 1   33.004  ? 73  ARG   B NE   1 ? 
ATOM   877  C CZ   . ARG   A 1 61  ? -18.536 9.453   -14.307 1   29.178  ? 73  ARG   B CZ   1 ? 
ATOM   878  N NH1  . ARG   A 1 61  ? -17.254 9.307   -14.574 1   32.045  ? 73  ARG   B NH1  1 ? 
ATOM   879  N NH2  . ARG   A 1 61  ? -19.112 8.904   -13.242 1   30.353  ? 73  ARG   B NH2  1 ? 
ATOM   880  H H    . ARG   A 1 61  ? -17.975 13.89   -13.189 1   34.214  ? 73  ARG   B H    1 c 
ATOM   881  H HA   . ARG   A 1 61  ? -18.428 15.004  -15.711 1   34.145  ? 73  ARG   B HA   1 c 
ATOM   882  H HB2  . ARG   A 1 61  ? -19.683 12.775  -14.436 1   34.856  ? 73  ARG   B HB2  1 c 
ATOM   883  H HB3  . ARG   A 1 61  ? -20.129 13.308  -15.866 1   34.785  ? 73  ARG   B HB3  1 c 
ATOM   884  H HG2  . ARG   A 1 61  ? -17.965 12.816  -16.723 1   35.259  ? 73  ARG   B HG2  1 c 
ATOM   885  H HG3  . ARG   A 1 61  ? -17.528 12.265  -15.292 1   35.442  ? 73  ARG   B HG3  1 c 
ATOM   886  H HD2  . ARG   A 1 61  ? -19.602 11.108  -16.863 1   34.654  ? 73  ARG   B HD2  1 c 
ATOM   887  H HD3  . ARG   A 1 61  ? -18.152 10.485  -16.752 1   34.726  ? 73  ARG   B HD3  1 c 
ATOM   888  H HE   . ARG   A 1 61  ? -20.084 10.351  -14.835 1   32.411  ? 73  ARG   B HE   1 c 
ATOM   889  H HH11 . ARG   A 1 61  ? -16.842 9.85    -15.137 1   31.646  ? 73  ARG   B HH11 1 c 
ATOM   890  H HH12 . ARG   A 1 61  ? -16.8   8.66    -14.175 1   31.784  ? 73  ARG   B HH12 1 c 
ATOM   891  H HH21 . ARG   A 1 61  ? -19.969 9.046   -13.075 1   30.375  ? 73  ARG   B HH21 1 c 
ATOM   892  H HH22 . ARG   A 1 61  ? -18.634 8.394   -12.703 1   30.347  ? 73  ARG   B HH22 1 c 
ATOM   893  N N    . ASN   A 1 62  ? -19.766 16.082  -13.204 1   32.975  ? 74  ASN   B N    1 ? 
ATOM   894  C CA   . ASN   A 1 62  ? -20.652 17.1    -12.645 1   33.394  ? 74  ASN   B CA   1 ? 
ATOM   895  C C    . ASN   A 1 62  ? -22.075 16.551  -12.53  1   34.469  ? 74  ASN   B C    1 ? 
ATOM   896  O O    . ASN   A 1 62  ? -23.035 17.298  -12.627 1   37.898  ? 74  ASN   B O    1 ? 
ATOM   897  C CB   . ASN   A 1 62  ? -20.651 18.413  -13.431 1   34.92   ? 74  ASN   B CB   1 ? 
ATOM   898  C CG   . ASN   A 1 62  ? -19.266 18.98   -13.571 1   41.369  ? 74  ASN   B CG   1 ? 
ATOM   899  O OD1  . ASN   A 1 62  ? -18.767 19.116  -14.695 1   48.283  ? 74  ASN   B OD1  1 ? 
ATOM   900  N ND2  . ASN   A 1 62  ? -18.638 19.313  -12.458 1   42.423  ? 74  ASN   B ND2  1 ? 
ATOM   901  H H    . ASN   A 1 62  ? -19.055 15.812  -12.699 1   33.329  ? 74  ASN   B H    1 c 
ATOM   902  H HA   . ASN   A 1 62  ? -20.334 17.306  -11.737 1   33.895  ? 74  ASN   B HA   1 c 
ATOM   903  H HB2  . ASN   A 1 62  ? -21.028 18.258  -14.319 1   35.9    ? 74  ASN   B HB2  1 c 
ATOM   904  H HB3  . ASN   A 1 62  ? -21.217 19.065  -12.97  1   35.31   ? 74  ASN   B HB3  1 c 
ATOM   905  H HD21 . ASN   A 1 62  ? -17.782 19.542  -12.486 1   42.414  ? 74  ASN   B HD21 1 c 
ATOM   906  H HD22 . ASN   A 1 62  ? -19.072 19.309  -11.684 1   42.338  ? 74  ASN   B HD22 1 c 
ATOM   907  N N    . GLU   A 1 63  ? -22.226 15.251  -12.288 1   36.179  ? 75  GLU   B N    1 ? 
ATOM   908  C CA   . GLU   A 1 63  ? -23.558 14.695  -12.115 1   30.846  ? 75  GLU   B CA   1 ? 
ATOM   909  C C    . GLU   A 1 63  ? -23.473 13.422  -11.282 1   31.091  ? 75  GLU   B C    1 ? 
ATOM   910  O O    . GLU   A 1 63  ? -22.46  12.725  -11.317 1   28.909  ? 75  GLU   B O    1 ? 
ATOM   911  C CB   . GLU   A 1 63  ? -24.264 14.377  -13.436 1   32.38   ? 75  GLU   B CB   1 ? 
ATOM   912  C CG   . GLU   A 1 63  ? -23.652 13.237  -14.243 1   33.532  ? 75  GLU   B CG   1 ? 
ATOM   913  C CD   . GLU   A 1 63  ? -24.329 12.943  -15.576 1   36.325  ? 75  GLU   B CD   1 ? 
ATOM   914  O OE1  . GLU   A 1 63  ? -23.997 11.87   -16.13  1   40.094  ? 75  GLU   B OE1  1 ? 
ATOM   915  O OE2  . GLU   A 1 63  ? -25.104 13.778  -16.106 1   46.733  ? 75  GLU   B OE2  1 ? 
ATOM   916  H H    . GLU   A 1 63  ? -21.498 14.703  -12.217 1   34.874  ? 75  GLU   B H    1 c 
ATOM   917  H HA   . GLU   A 1 63  ? -24.104 15.357  -11.623 1   31.935  ? 75  GLU   B HA   1 c 
ATOM   918  H HB2  . GLU   A 1 63  ? -25.198 14.151  -13.243 1   32.446  ? 75  GLU   B HB2  1 c 
ATOM   919  H HB3  . GLU   A 1 63  ? -24.263 15.184  -13.991 1   32.195  ? 75  GLU   B HB3  1 c 
ATOM   920  H HG2  . GLU   A 1 63  ? -22.709 13.444  -14.416 1   33.63   ? 75  GLU   B HG2  1 c 
ATOM   921  H HG3  . GLU   A 1 63  ? -23.675 12.419  -13.704 1   33.825  ? 75  GLU   B HG3  1 c 
ATOM   922  N N    . PRO   A 1 64  ? -24.541 13.09   -10.517 1   29.501  ? 76  PRO   B N    1 ? 
ATOM   923  C CA   . PRO   A 1 64  ? -24.591 11.811  -9.834  1   27.883  ? 76  PRO   B CA   1 ? 
ATOM   924  C C    . PRO   A 1 64  ? -24.519 10.654  -10.81  1   27.178  ? 76  PRO   B C    1 ? 
ATOM   925  O O    . PRO   A 1 64  ? -24.867 10.785  -11.972 1   26.356  ? 76  PRO   B O    1 ? 
ATOM   926  C CB   . PRO   A 1 64  ? -25.929 11.786  -9.114  1   30.107  ? 76  PRO   B CB   1 ? 
ATOM   927  C CG   . PRO   A 1 64  ? -26.355 13.233  -9.037  1   33.697  ? 76  PRO   B CG   1 ? 
ATOM   928  C CD   . PRO   A 1 64  ? -25.705 13.949  -10.225 1   32.449  ? 76  PRO   B CD   1 ? 
ATOM   929  H HA   . PRO   A 1 64  ? -23.857 11.752  -9.188  1   28.504  ? 76  PRO   B HA   1 c 
ATOM   930  H HB2  . PRO   A 1 64  ? -26.584 11.258  -9.612  1   29.915  ? 76  PRO   B HB2  1 c 
ATOM   931  H HB3  . PRO   A 1 64  ? -25.834 11.405  -8.22   1   30.105  ? 76  PRO   B HB3  1 c 
ATOM   932  H HG2  . PRO   A 1 64  ? -27.329 13.307  -9.09   1   32.727  ? 76  PRO   B HG2  1 c 
ATOM   933  H HG3  . PRO   A 1 64  ? -26.058 13.634  -8.196  1   33.055  ? 76  PRO   B HG3  1 c 
ATOM   934  H HD2  . PRO   A 1 64  ? -26.308 13.991  -10.993 1   31.919  ? 76  PRO   B HD2  1 c 
ATOM   935  H HD3  . PRO   A 1 64  ? -25.422 14.851  -9.983  1   32.116  ? 76  PRO   B HD3  1 c 
ATOM   936  N N    . PHE   A 1 65  ? -24.004 9.538   -10.321 1   23.938  ? 77  PHE   B N    1 ? 
ATOM   937  C CA   . PHE   A 1 65  ? -24.016 8.289   -11.048 1   22.716  ? 77  PHE   B CA   1 ? 
ATOM   938  C C    . PHE   A 1 65  ? -25.263 7.511   -10.642 1   22.493  ? 77  PHE   B C    1 ? 
ATOM   939  O O    . PHE   A 1 65  ? -25.59  7.387   -9.443  1   22.56   ? 77  PHE   B O    1 ? 
ATOM   940  C CB   . PHE   A 1 65  ? -22.765 7.483   -10.704 1   22.297  ? 77  PHE   B CB   1 ? 
ATOM   941  C CG   . PHE   A 1 65  ? -22.711 6.158   -11.441 1   20.938  ? 77  PHE   B CG   1 ? 
ATOM   942  C CD1  . PHE   A 1 65  ? -22.345 6.113   -12.772 1   24.138  ? 77  PHE   B CD1  1 ? 
ATOM   943  C CD2  . PHE   A 1 65  ? -23.073 4.986   -10.831 1   22.936  ? 77  PHE   B CD2  1 ? 
ATOM   944  C CE1  . PHE   A 1 65  ? -22.306 4.899   -13.476 1   23.557  ? 77  PHE   B CE1  1 ? 
ATOM   945  C CE2  . PHE   A 1 65  ? -23.057 3.779   -11.519 1   24.244  ? 77  PHE   B CE2  1 ? 
ATOM   946  C CZ   . PHE   A 1 65  ? -22.678 3.734   -12.841 1   23.719  ? 77  PHE   B CZ   1 ? 
ATOM   947  H H    . PHE   A 1 65  ? -23.626 9.553   -9.489  1   24.367  ? 77  PHE   B H    1 c 
ATOM   948  H HA   . PHE   A 1 65  ? -24.034 8.471   -12.024 1   22.787  ? 77  PHE   B HA   1 c 
ATOM   949  H HB2  . PHE   A 1 65  ? -21.973 8.015   -10.938 1   22.066  ? 77  PHE   B HB2  1 c 
ATOM   950  H HB3  . PHE   A 1 65  ? -22.752 7.316   -9.736  1   22.142  ? 77  PHE   B HB3  1 c 
ATOM   951  H HD1  . PHE   A 1 65  ? -22.096 6.912   -13.209 1   23.185  ? 77  PHE   B HD1  1 c 
ATOM   952  H HD2  . PHE   A 1 65  ? -23.344 5.001   -9.926  1   22.777  ? 77  PHE   B HD2  1 c 
ATOM   953  H HE1  . PHE   A 1 65  ? -22.046 4.885   -14.381 1   23.738  ? 77  PHE   B HE1  1 c 
ATOM   954  H HE2  . PHE   A 1 65  ? -23.301 2.983   -11.073 1   23.858  ? 77  PHE   B HE2  1 c 
ATOM   955  H HZ   . PHE   A 1 65  ? -22.654 2.911   -13.302 1   23.7    ? 77  PHE   B HZ   1 c 
ATOM   956  N N    . VAL   A 1 66  ? -25.982 7.03    -11.665 1   23.214  ? 78  VAL   B N    1 ? 
ATOM   957  C CA   . VAL   A 1 66  ? -27.29  6.444   -11.457 1   22.886  ? 78  VAL   B CA   1 ? 
ATOM   958  C C    . VAL   A 1 66  ? -27.297 5.049   -12.051 1   24.479  ? 78  VAL   B C    1 ? 
ATOM   959  O O    . VAL   A 1 66  ? -26.82  4.845   -13.172 1   26.771  ? 78  VAL   B O    1 ? 
ATOM   960  C CB   . VAL   A 1 66  ? -28.408 7.308   -12.058 1   27.92   ? 78  VAL   B CB   1 ? 
ATOM   961  C CG1  . VAL   A 1 66  ? -29.754 6.656   -11.793 1   28.922  ? 78  VAL   B CG1  1 ? 
ATOM   962  C CG2  . VAL   A 1 66  ? -28.358 8.734   -11.524 1   27.354  ? 78  VAL   B CG2  1 ? 
ATOM   963  H H    . VAL   A 1 66  ? -25.643 7.065   -12.513 1   23.081  ? 78  VAL   B H    1 c 
ATOM   964  H HA   . VAL   A 1 66  ? -27.443 6.372   -10.499 1   23.634  ? 78  VAL   B HA   1 c 
ATOM   965  H HB   . VAL   A 1 66  ? -28.266 7.338   -13.033 1   27.177  ? 78  VAL   B HB   1 c 
ATOM   966  H HG11 . VAL   A 1 66  ? -29.866 6.519   -10.837 1   28.787  ? 78  VAL   B HG11 1 c 
ATOM   967  H HG12 . VAL   A 1 66  ? -29.801 5.801   -12.251 1   28.648  ? 78  VAL   B HG12 1 c 
ATOM   968  H HG13 . VAL   A 1 66  ? -30.464 7.235   -12.119 1   28.674  ? 78  VAL   B HG13 1 c 
ATOM   969  H HG21 . VAL   A 1 66  ? -29.101 9.244   -11.887 1   27.519  ? 78  VAL   B HG21 1 c 
ATOM   970  H HG22 . VAL   A 1 66  ? -27.52  9.151   -11.787 1   27.462  ? 78  VAL   B HG22 1 c 
ATOM   971  H HG23 . VAL   A 1 66  ? -28.42  8.72    -10.554 1   27.399  ? 78  VAL   B HG23 1 c 
ATOM   972  N N    . PHE   A 1 67  ? -27.832 4.085   -11.295 1   22.108  ? 79  PHE   B N    1 ? 
ATOM   973  C CA   . PHE   A 1 67  ? -27.903 2.713   -11.767 1   22.913  ? 79  PHE   B CA   1 ? 
ATOM   974  C C    . PHE   A 1 67  ? -29.051 2       -11.059 1   22.745  ? 79  PHE   B C    1 ? 
ATOM   975  O O    . PHE   A 1 67  ? -29.518 2.416   -9.994  1   26.925  ? 79  PHE   B O    1 ? 
ATOM   976  C CB   . PHE   A 1 67  ? -26.583 1.958   -11.543 1   22.081  ? 79  PHE   B CB   1 ? 
ATOM   977  C CG   . PHE   A 1 67  ? -26.26  1.562   -10.103 1   20.197  ? 79  PHE   B CG   1 ? 
ATOM   978  C CD1  . PHE   A 1 67  ? -25.79  2.497   -9.202  1   22.367  ? 79  PHE   B CD1  1 ? 
ATOM   979  C CD2  . PHE   A 1 67  ? -26.446 0.252   -9.65   1   21.86   ? 79  PHE   B CD2  1 ? 
ATOM   980  C CE1  . PHE   A 1 67  ? -25.498 2.147   -7.903  1   21.303  ? 79  PHE   B CE1  1 ? 
ATOM   981  C CE2  . PHE   A 1 67  ? -26.133 -0.112  -8.346  1   22.161  ? 79  PHE   B CE2  1 ? 
ATOM   982  C CZ   . PHE   A 1 67  ? -25.664 0.852   -7.474  1   22.128  ? 79  PHE   B CZ   1 ? 
ATOM   983  H H    . PHE   A 1 67  ? -28.16  4.287   -10.466 1   22.474  ? 79  PHE   B H    1 c 
ATOM   984  H HA   . PHE   A 1 67  ? -28.096 2.725   -12.742 1   22.515  ? 79  PHE   B HA   1 c 
ATOM   985  H HB2  . PHE   A 1 67  ? -26.6   1.144   -12.093 1   21.815  ? 79  PHE   B HB2  1 c 
ATOM   986  H HB3  . PHE   A 1 67  ? -25.85  2.519   -11.882 1   21.832  ? 79  PHE   B HB3  1 c 
ATOM   987  H HD1  . PHE   A 1 67  ? -25.665 3.39    -9.483  1   21.444  ? 79  PHE   B HD1  1 c 
ATOM   988  H HD2  . PHE   A 1 67  ? -26.758 -0.404  -10.253 1   21.477  ? 79  PHE   B HD2  1 c 
ATOM   989  H HE1  . PHE   A 1 67  ? -25.172 2.8     -7.305  1   21.514  ? 79  PHE   B HE1  1 c 
ATOM   990  H HE2  . PHE   A 1 67  ? -26.26  -1.001  -8.055  1   22.107  ? 79  PHE   B HE2  1 c 
ATOM   991  H HZ   . PHE   A 1 67  ? -25.463 0.622   -6.581  1   22.119  ? 79  PHE   B HZ   1 c 
ATOM   992  N N    . SER   A 1 68  ? -29.479 0.883   -11.651 1   24.991  ? 80  SER   B N    1 ? 
ATOM   993  C CA   . SER   A 1 68  ? -30.466 0.014   -11.032 1   24.201  ? 80  SER   B CA   1 ? 
ATOM   994  C C    . SER   A 1 68  ? -29.766 -1.108  -10.273 1   26.235  ? 80  SER   B C    1 ? 
ATOM   995  O O    . SER   A 1 68  ? -28.982 -1.85   -10.871 1   27.319  ? 80  SER   B O    1 ? 
ATOM   996  C CB   . SER   A 1 68  ? -31.418 -0.538  -12.075 1   28.398  ? 80  SER   B CB   1 ? 
ATOM   997  O OG   . SER   A 1 68  ? -32.149 0.503   -12.728 1   32.068  ? 80  SER   B OG   1 ? 
ATOM   998  H H    . SER   A 1 68  ? -29.145 0.654   -12.471 1   24.593  ? 80  SER   B H    1 c 
ATOM   999  H HA   . SER   A 1 68  ? -30.989 0.549   -10.388 1   24.857  ? 80  SER   B HA   1 c 
ATOM   1000 H HB2  . SER   A 1 68  ? -30.909 -1.041  -12.739 1   28.345  ? 80  SER   B HB2  1 c 
ATOM   1001 H HB3  . SER   A 1 68  ? -32.043 -1.151  -11.646 1   28.223  ? 80  SER   B HB3  1 c 
ATOM   1002 H HG   . SER   A 1 68  ? -32.645 0.167   -13.306 0   31.91   ? 80  SER   B HG   1 c 
ATOM   1003 N N    . LEU   A 1 69  ? -30.1   -1.241  -8.978  1   30.153  ? 81  LEU   B N    1 ? 
ATOM   1004 C CA   . LEU   A 1 69  ? -29.425 -2.139  -8.052  1   29.011  ? 81  LEU   B CA   1 ? 
ATOM   1005 C C    . LEU   A 1 69  ? -29.754 -3.593  -8.362  1   33.425  ? 81  LEU   B C    1 ? 
ATOM   1006 O O    . LEU   A 1 69  ? -30.888 -3.962  -8.636  1   36.725  ? 81  LEU   B O    1 ? 
ATOM   1007 C CB   . LEU   A 1 69  ? -29.826 -1.8    -6.615  1   33.734  ? 81  LEU   B CB   1 ? 
ATOM   1008 C CG   . LEU   A 1 69  ? -29.093 -2.541  -5.486  1   32.19   ? 81  LEU   B CG   1 ? 
ATOM   1009 C CD1  . LEU   A 1 69  ? -27.676 -2.161  -5.306  1   28.209  ? 81  LEU   B CD1  1 ? 
ATOM   1010 C CD2  . LEU   A 1 69  ? -29.693 -2.363  -4.094  1   37.276  ? 81  LEU   B CD2  1 ? 
ATOM   1011 H H    . LEU   A 1 69  ? -30.796 -0.742  -8.658  1   29.214  ? 81  LEU   B H    1 c 
ATOM   1012 H HA   . LEU   A 1 69  ? -28.449 -2.006  -8.154  1   30.486  ? 81  LEU   B HA   1 c 
ATOM   1013 H HB2  . LEU   A 1 69  ? -29.695 -0.833  -6.483  1   32.605  ? 81  LEU   B HB2  1 c 
ATOM   1014 H HB3  . LEU   A 1 69  ? -30.791 -1.974  -6.52   1   32.505  ? 81  LEU   B HB3  1 c 
ATOM   1015 H HG   . LEU   A 1 69  ? -29.115 -3.51   -5.695  1   32.376  ? 81  LEU   B HG   1 c 
ATOM   1016 H HD11 . LEU   A 1 69  ? -27.194 -2.306  -6.137  1   28.946  ? 81  LEU   B HD11 1 c 
ATOM   1017 H HD12 . LEU   A 1 69  ? -27.278 -2.703  -4.604  1   29.074  ? 81  LEU   B HD12 1 c 
ATOM   1018 H HD13 . LEU   A 1 69  ? -27.62  -1.222  -5.061  1   28.893  ? 81  LEU   B HD13 1 c 
ATOM   1019 H HD21 . LEU   A 1 69  ? -30.633 -2.604  -4.112  1   35.995  ? 81  LEU   B HD21 1 c 
ATOM   1020 H HD22 . LEU   A 1 69  ? -29.601 -1.439  -3.826  1   36.061  ? 81  LEU   B HD22 1 c 
ATOM   1021 H HD23 . LEU   A 1 69  ? -29.225 -2.933  -3.46   1   36.225  ? 81  LEU   B HD23 1 c 
ATOM   1022 N N    . GLY   A 1 70  ? -28.739 -4.451  -8.289  1   32.8    ? 82  GLY   B N    1 ? 
ATOM   1023 C CA   . GLY   A 1 70  ? -28.922 -5.886  -8.385  1   35.542  ? 82  GLY   B CA   1 ? 
ATOM   1024 C C    . GLY   A 1 70  ? -29.242 -6.369  -9.796  1   36.631  ? 82  GLY   B C    1 ? 
ATOM   1025 O O    . GLY   A 1 70  ? -29.801 -7.456  -9.956  1   44.569  ? 82  GLY   B O    1 ? 
ATOM   1026 H H    . GLY   A 1 70  ? -27.894 -4.126  -8.171  1   33.035  ? 82  GLY   B H    1 c 
ATOM   1027 H HA2  . GLY   A 1 70  ? -28.102 -6.331  -8.069  1   35.288  ? 82  GLY   B HA2  1 c 
ATOM   1028 H HA3  . GLY   A 1 70  ? -29.653 -6.15   -7.783  1   35.013  ? 82  GLY   B HA3  1 c 
ATOM   1029 N N    . LYS   A 1 71  ? -28.974 -5.515  -10.792 1   36.872  ? 83  LYS   B N    1 ? 
ATOM   1030 C CA   . LYS   A 1 71  ? -29.278 -5.772  -12.187 1   36.788  ? 83  LYS   B CA   1 ? 
ATOM   1031 C C    . LYS   A 1 71  ? -27.978 -6.004  -12.966 1   39.699  ? 83  LYS   B C    1 ? 
ATOM   1032 O O    . LYS   A 1 71  ? -28.03  -6.205  -14.17  1   44.166  ? 83  LYS   B O    1 ? 
ATOM   1033 C CB   . LYS   A 1 71  ? -30.14  -4.632  -12.763 1   38.159  ? 83  LYS   B CB   1 ? 
ATOM   1034 H H    . LYS   A 1 71  ? -28.566 -4.724  -10.586 1   36.754  ? 83  LYS   B H    1 c 
ATOM   1035 H HA   . LYS   A 1 71  ? -29.815 -6.603  -12.236 1   37.717  ? 83  LYS   B HA   1 c 
ATOM   1036 H HB2  . LYS   A 1 71  ? -29.564 -3.922  -13.103 0   37.04   ? 83  LYS   B HB2  1 c 
ATOM   1037 H HB3  . LYS   A 1 71  ? -31.101 -4.855  -12.634 0   37.04   ? 83  LYS   B HB3  1 c 
ATOM   1038 N N    . GLY   A 1 72  ? -26.811 -6.021  -12.299 1   38.906  ? 84  GLY   B N    1 ? 
ATOM   1039 C CA   . GLY   A 1 72  ? -25.543 -6.226  -12.989 1   38.536  ? 84  GLY   B CA   1 ? 
ATOM   1040 C C    . GLY   A 1 72  ? -25.197 -5.115  -13.993 1   33.591  ? 84  GLY   B C    1 ? 
ATOM   1041 O O    . GLY   A 1 72  ? -24.529 -5.364  -14.994 1   36.098  ? 84  GLY   B O    1 ? 
ATOM   1042 H H    . GLY   A 1 72  ? -26.804 -5.908  -11.393 1   39.068  ? 84  GLY   B H    1 c 
ATOM   1043 H HA2  . GLY   A 1 72  ? -24.826 -6.286  -12.315 1   37.712  ? 84  GLY   B HA2  1 c 
ATOM   1044 H HA3  . GLY   A 1 72  ? -25.579 -7.09   -13.463 1   37.81   ? 84  GLY   B HA3  1 c 
ATOM   1045 N N    . GLN   A 1 73  ? -25.672 -3.886  -13.741 1   27.53   ? 85  GLN   B N    1 ? 
ATOM   1046 C CA   . GLN   A 1 73  ? -25.28  -2.704  -14.512 1   26.056  ? 85  GLN   B CA   1 ? 
ATOM   1047 C C    . GLN   A 1 73  ? -23.94  -2.165  -14.031 1   23.748  ? 85  GLN   B C    1 ? 
ATOM   1048 O O    . GLN   A 1 73  ? -23.267 -1.393  -14.707 1   27.374  ? 85  GLN   B O    1 ? 
ATOM   1049 C CB   . GLN   A 1 73  ? -26.294 -1.58   -14.338 1   26.915  ? 85  GLN   B CB   1 ? 
ATOM   1050 C CG   . GLN   A 1 73  ? -27.611 -1.949  -15.01  1   30.01   ? 85  GLN   B CG   1 ? 
ATOM   1051 C CD   . GLN   A 1 73  ? -28.731 -0.984  -14.754 1   32.361  ? 85  GLN   B CD   1 ? 
ATOM   1052 O OE1  . GLN   A 1 73  ? -28.515 0.094   -14.188 1   30.661  ? 85  GLN   B OE1  1 ? 
ATOM   1053 N NE2  . GLN   A 1 73  ? -29.909 -1.347  -15.258 1   38.276  ? 85  GLN   B NE2  1 ? 
ATOM   1054 H H    . GLN   A 1 73  ? -26.263 -3.775  -13.053 1   28.253  ? 85  GLN   B H    1 c 
ATOM   1055 H HA   . GLN   A 1 73  ? -25.211 -2.951  -15.469 1   25.954  ? 85  GLN   B HA   1 c 
ATOM   1056 H HB2  . GLN   A 1 73  ? -26.446 -1.419  -13.383 1   27.172  ? 85  GLN   B HB2  1 c 
ATOM   1057 H HB3  . GLN   A 1 73  ? -25.944 -0.756  -14.737 1   27.357  ? 85  GLN   B HB3  1 c 
ATOM   1058 H HG2  . GLN   A 1 73  ? -27.469 -2.01   -15.979 1   29.733  ? 85  GLN   B HG2  1 c 
ATOM   1059 H HG3  . GLN   A 1 73  ? -27.891 -2.836  -14.698 1   29.743  ? 85  GLN   B HG3  1 c 
ATOM   1060 H HE21 . GLN   A 1 73  ? -30.615 -0.819  -15.155 1   36.696  ? 85  GLN   B HE21 1 c 
ATOM   1061 H HE22 . GLN   A 1 73  ? -29.989 -2.114  -15.697 1   36.662  ? 85  GLN   B HE22 1 c 
ATOM   1062 N N    . VAL   A 1 74  ? -23.522 -2.661  -12.877 1   21.581  ? 86  VAL   B N    1 ? 
ATOM   1063 C CA   . VAL   A 1 74  ? -22.286 -2.316  -12.204 1   19.159  ? 86  VAL   B CA   1 ? 
ATOM   1064 C C    . VAL   A 1 74  ? -21.643 -3.622  -11.785 1   16.929  ? 86  VAL   B C    1 ? 
ATOM   1065 O O    . VAL   A 1 74  ? -22.272 -4.672  -11.802 1   19.048  ? 86  VAL   B O    1 ? 
ATOM   1066 C CB   . VAL   A 1 74  ? -22.564 -1.388  -11.01  1   19.503  ? 86  VAL   B CB   1 ? 
ATOM   1067 C CG1  . VAL   A 1 74  ? -23.016 -0.003  -11.429 1   20.943  ? 86  VAL   B CG1  1 ? 
ATOM   1068 C CG2  . VAL   A 1 74  ? -23.54  -2.033  -10.036 1   20.539  ? 86  VAL   B CG2  1 ? 
ATOM   1069 H H    . VAL   A 1 74  ? -24.064 -3.267  -12.461 1   21.435  ? 86  VAL   B H    1 c 
ATOM   1070 H HA   . VAL   A 1 74  ? -21.697 -1.859  -12.834 1   19.191  ? 86  VAL   B HA   1 c 
ATOM   1071 H HB   . VAL   A 1 74  ? -21.709 -1.279  -10.53  1   19.771  ? 86  VAL   B HB   1 c 
ATOM   1072 H HG11 . VAL   A 1 74  ? -23.838 -0.071  -11.943 1   20.64   ? 86  VAL   B HG11 1 c 
ATOM   1073 H HG12 . VAL   A 1 74  ? -22.328 0.413   -11.974 1   20.493  ? 86  VAL   B HG12 1 c 
ATOM   1074 H HG13 . VAL   A 1 74  ? -23.174 0.54    -10.638 1   20.633  ? 86  VAL   B HG13 1 c 
ATOM   1075 H HG21 . VAL   A 1 74  ? -23.678 -1.442  -9.277  1   20.399  ? 86  VAL   B HG21 1 c 
ATOM   1076 H HG22 . VAL   A 1 74  ? -23.18  -2.879  -9.722  1   20.379  ? 86  VAL   B HG22 1 c 
ATOM   1077 H HG23 . VAL   A 1 74  ? -24.39  -2.188  -10.48  1   20.309  ? 86  VAL   B HG23 1 c 
ATOM   1078 N N    . ILE   A 1 75  ? -20.389 -3.508  -11.363 1   17.114  ? 87  ILE   B N    1 ? 
ATOM   1079 C CA   . ILE   A 1 75  ? -19.69  -4.653  -10.814 1   15.197  ? 87  ILE   B CA   1 ? 
ATOM   1080 C C    . ILE   A 1 75  ? -20.42  -5.257  -9.616  1   15.277  ? 87  ILE   B C    1 ? 
ATOM   1081 O O    . ILE   A 1 75  ? -21.132 -4.579  -8.876  1   16.266  ? 87  ILE   B O    1 ? 
ATOM   1082 C CB   . ILE   A 1 75  ? -18.239 -4.28   -10.459 1   15.111  ? 87  ILE   B CB   1 ? 
ATOM   1083 C CG1  . ILE   A 1 75  ? -18.121 -3.108  -9.492  1   15.145  ? 87  ILE   B CG1  1 ? 
ATOM   1084 C CG2  . ILE   A 1 75  ? -17.371 -4.1    -11.714 1   16.289  ? 87  ILE   B CG2  1 ? 
ATOM   1085 C CD1  . ILE   A 1 75  ? -16.713 -2.891  -8.984  1   15.717  ? 87  ILE   B CD1  1 ? 
ATOM   1086 H H    . ILE   A 1 75  ? -19.957 -2.706  -11.429 1   16.727  ? 87  ILE   B H    1 c 
ATOM   1087 H HA   . ILE   A 1 75  ? -19.654 -5.334  -11.514 1   15.401  ? 87  ILE   B HA   1 c 
ATOM   1088 H HB   . ILE   A 1 75  ? -17.874 -5.053  -9.986  1   15.129  ? 87  ILE   B HB   1 c 
ATOM   1089 H HG12 . ILE   A 1 75  ? -18.423 -2.293  -9.942  1   15.294  ? 87  ILE   B HG12 1 c 
ATOM   1090 H HG13 . ILE   A 1 75  ? -18.712 -3.266  -8.728  1   15.209  ? 87  ILE   B HG13 1 c 
ATOM   1091 H HG21 . ILE   A 1 75  ? -16.448 -3.943  -11.455 1   16.064  ? 87  ILE   B HG21 1 c 
ATOM   1092 H HG22 . ILE   A 1 75  ? -17.695 -3.343  -12.229 1   16.098  ? 87  ILE   B HG22 1 c 
ATOM   1093 H HG23 . ILE   A 1 75  ? -17.418 -4.904  -12.259 1   16.034  ? 87  ILE   B HG23 1 c 
ATOM   1094 H HD11 . ILE   A 1 75  ? -16.381 -3.715  -8.579  1   15.614  ? 87  ILE   B HD11 1 c 
ATOM   1095 H HD12 . ILE   A 1 75  ? -16.718 -2.181  -8.314  1   15.649  ? 87  ILE   B HD12 1 c 
ATOM   1096 H HD13 . ILE   A 1 75  ? -16.126 -2.633  -9.72   1   15.611  ? 87  ILE   B HD13 1 c 
ATOM   1097 N N    . LYS   A 1 76  ? -20.198 -6.567  -9.422  1   16.079  ? 88  LYS   B N    1 ? 
ATOM   1098 C CA   . LYS   A 1 76  ? -20.842 -7.311  -8.329  1   16.734  ? 88  LYS   B CA   1 ? 
ATOM   1099 C C    . LYS   A 1 76  ? -20.688 -6.606  -6.977  1   15.183  ? 88  LYS   B C    1 ? 
ATOM   1100 O O    . LYS   A 1 76  ? -21.62  -6.553  -6.172  1   16.109  ? 88  LYS   B O    1 ? 
ATOM   1101 C CB   . LYS   A 1 76  ? -20.308 -8.749  -8.199  1   20.374  ? 88  LYS   B CB   1 ? 
ATOM   1102 H H    . LYS   A 1 76  ? -19.629 -7.011  -9.982  1   15.926  ? 88  LYS   B H    1 c 
ATOM   1103 H HA   . LYS   A 1 76  ? -21.81  -7.368  -8.533  1   16.84   ? 88  LYS   B HA   1 c 
ATOM   1104 H HB2  . LYS   A 1 76  ? -19.316 -8.71   -8.22   0   20.48   ? 88  LYS   B HB2  1 c 
ATOM   1105 H HB3  . LYS   A 1 76  ? -21.054 -9.364  -8.168  0   20.48   ? 88  LYS   B HB3  1 c 
ATOM   1106 N N    . ALA   A 1 77  ? -19.476 -6.124  -6.698  1   15.385  ? 89  ALA   B N    1 ? 
ATOM   1107 C CA   . ALA   A 1 77  ? -19.192 -5.498  -5.428  1   15.061  ? 89  ALA   B CA   1 ? 
ATOM   1108 C C    . ALA   A 1 77  ? -20.1   -4.317  -5.14   1   14.414  ? 89  ALA   B C    1 ? 
ATOM   1109 O O    . ALA   A 1 77  ? -20.399 -4.05   -3.967  1   15.707  ? 89  ALA   B O    1 ? 
ATOM   1110 C CB   . ALA   A 1 77  ? -17.763 -5.085  -5.357  1   15.687  ? 89  ALA   B CB   1 ? 
ATOM   1111 H H    . ALA   A 1 77  ? -18.808 -6.192  -7.317  1   15.201  ? 89  ALA   B H    1 c 
ATOM   1112 H HA   . ALA   A 1 77  ? -19.355 -6.179  -4.718  1   15.055  ? 89  ALA   B HA   1 c 
ATOM   1113 H HB1  . ALA   A 1 77  ? -17.191 -5.865  -5.448  1   15.541  ? 89  ALA   B HB1  1 c 
ATOM   1114 H HB2  . ALA   A 1 77  ? -17.568 -4.458  -6.074  1   15.618  ? 89  ALA   B HB2  1 c 
ATOM   1115 H HB3  . ALA   A 1 77  ? -17.589 -4.658  -4.502  1   15.615  ? 89  ALA   B HB3  1 c 
ATOM   1116 N N    . TRP   A 1 78  ? -20.538 -3.579  -6.173  1   15.685  ? 90  TRP   B N    1 ? 
ATOM   1117 C CA   . TRP   A 1 78  ? -21.454 -2.466  -5.953  1   15.207  ? 90  TRP   B CA   1 ? 
ATOM   1118 C C    . TRP   A 1 78  ? -22.863 -2.957  -5.654  1   15.648  ? 90  TRP   B C    1 ? 
ATOM   1119 O O    . TRP   A 1 78  ? -23.545 -2.404  -4.797  1   18.097  ? 90  TRP   B O    1 ? 
ATOM   1120 C CB   . TRP   A 1 78  ? -21.459 -1.532  -7.163  1   15.894  ? 90  TRP   B CB   1 ? 
ATOM   1121 C CG   . TRP   A 1 78  ? -20.45  -0.425  -7.066  1   15.333  ? 90  TRP   B CG   1 ? 
ATOM   1122 C CD1  . TRP   A 1 78  ? -19.104 -0.507  -6.787  1   15.445  ? 90  TRP   B CD1  1 ? 
ATOM   1123 C CD2  . TRP   A 1 78  ? -20.72  0.97    -7.28   1   15.486  ? 90  TRP   B CD2  1 ? 
ATOM   1124 N NE1  . TRP   A 1 78  ? -18.541 0.742   -6.798  1   16.214  ? 90  TRP   B NE1  1 ? 
ATOM   1125 C CE2  . TRP   A 1 78  ? -19.512 1.674   -7.081  1   15.674  ? 90  TRP   B CE2  1 ? 
ATOM   1126 C CE3  . TRP   A 1 78  ? -21.884 1.692   -7.593  1   16.674  ? 90  TRP   B CE3  1 ? 
ATOM   1127 C CZ2  . TRP   A 1 78  ? -19.41  3.06    -7.239  1   16.8    ? 90  TRP   B CZ2  1 ? 
ATOM   1128 C CZ3  . TRP   A 1 78  ? -21.777 3.065   -7.751  1   17.659  ? 90  TRP   B CZ3  1 ? 
ATOM   1129 C CH2  . TRP   A 1 78  ? -20.56  3.733   -7.573  1   18.649  ? 90  TRP   B CH2  1 ? 
ATOM   1130 H H    . TRP   A 1 78  ? -20.258 -3.768  -7.022  1   15.168  ? 90  TRP   B H    1 c 
ATOM   1131 H HA   . TRP   A 1 78  ? -21.13  -1.949  -5.167  1   15.179  ? 90  TRP   B HA   1 c 
ATOM   1132 H HB2  . TRP   A 1 78  ? -21.277 -2.059  -7.97   1   15.688  ? 90  TRP   B HB2  1 c 
ATOM   1133 H HB3  . TRP   A 1 78  ? -22.353 -1.139  -7.252  1   15.602  ? 90  TRP   B HB3  1 c 
ATOM   1134 H HD1  . TRP   A 1 78  ? -18.633 -1.303  -6.598  1   15.465  ? 90  TRP   B HD1  1 c 
ATOM   1135 H HE1  . TRP   A 1 78  ? -17.704 0.916   -6.643  1   15.879  ? 90  TRP   B HE1  1 c 
ATOM   1136 H HE3  . TRP   A 1 78  ? -22.704 1.25    -7.728  1   16.59   ? 90  TRP   B HE3  1 c 
ATOM   1137 H HZ2  . TRP   A 1 78  ? -18.591 3.51    -7.12   1   16.793  ? 90  TRP   B HZ2  1 c 
ATOM   1138 H HZ3  . TRP   A 1 78  ? -22.547 3.564   -7.966  1   17.695  ? 90  TRP   B HZ3  1 c 
ATOM   1139 H HH2  . TRP   A 1 78  ? -20.532 4.668   -7.666  1   18.212  ? 90  TRP   B HH2  1 c 
ATOM   1140 N N    . ASP   A 1 79  ? -23.321 -4.013  -6.328  1   16.177  ? 91  ASP   B N    1 ? 
ATOM   1141 C CA   . ASP   A 1 79  ? -24.636 -4.554  -6.017  1   17.493  ? 91  ASP   B CA   1 ? 
ATOM   1142 C C    . ASP   A 1 79  ? -24.65  -5.05   -4.571  1   18.149  ? 91  ASP   B C    1 ? 
ATOM   1143 O O    . ASP   A 1 79  ? -25.641 -4.872  -3.865  1   21.573  ? 91  ASP   B O    1 ? 
ATOM   1144 C CB   . ASP   A 1 79  ? -25.013 -5.659  -7.002  1   18.676  ? 91  ASP   B CB   1 ? 
ATOM   1145 C CG   . ASP   A 1 79  ? -25.535 -5.184  -8.362  1   20.18   ? 91  ASP   B CG   1 ? 
ATOM   1146 O OD1  . ASP   A 1 79  ? -26.001 -4.011  -8.44   1   22.203  ? 91  ASP   B OD1  1 ? 
ATOM   1147 O OD2  . ASP   A 1 79  ? -25.489 -5.99   -9.297  1   24.782  ? 91  ASP   B OD2  1 ? 
ATOM   1148 H H    . ASP   A 1 79  ? -22.818 -4.398  -6.987  1   16.21   ? 91  ASP   B H    1 c 
ATOM   1149 H HA   . ASP   A 1 79  ? -25.296 -3.829  -6.102  1   17.572  ? 91  ASP   B HA   1 c 
ATOM   1150 H HB2  . ASP   A 1 79  ? -24.228 -6.224  -7.158  1   18.672  ? 91  ASP   B HB2  1 c 
ATOM   1151 H HB3  . ASP   A 1 79  ? -25.707 -6.218  -6.594  1   18.724  ? 91  ASP   B HB3  1 c 
ATOM   1152 N N    . ILE   A 1 80  ? -23.592 -5.749  -4.145  1   16.761  ? 92  ILE   B N    1 ? 
ATOM   1153 C CA   . ILE   A 1 80  ? -23.492 -6.195  -2.751  1   16.621  ? 92  ILE   B CA   1 ? 
ATOM   1154 C C    . ILE   A 1 80  ? -23.355 -5.016  -1.785  1   17.695  ? 92  ILE   B C    1 ? 
ATOM   1155 O O    . ILE   A 1 80  ? -24.045 -4.942  -0.749  1   17.393  ? 92  ILE   B O    1 ? 
ATOM   1156 C CB   . ILE   A 1 80  ? -22.296 -7.152  -2.628  1   18.173  ? 92  ILE   B CB   1 ? 
ATOM   1157 C CG1  . ILE   A 1 80  ? -22.544 -8.451  -3.44   1   19.072  ? 92  ILE   B CG1  1 ? 
ATOM   1158 C CG2  . ILE   A 1 80  ? -21.99  -7.514  -1.172  1   19.974  ? 92  ILE   B CG2  1 ? 
ATOM   1159 C CD1  . ILE   A 1 80  ? -21.277 -9.275  -3.655  1   19.764  ? 92  ILE   B CD1  1 ? 
ATOM   1160 H H    . ILE   A 1 80  ? -22.917 -5.951  -4.727  1   16.884  ? 92  ILE   B H    1 c 
ATOM   1161 H HA   . ILE   A 1 80  ? -24.304 -6.689  -2.527  1   16.732  ? 92  ILE   B HA   1 c 
ATOM   1162 H HB   . ILE   A 1 80  ? -21.51  -6.707  -3.003  1   18.345  ? 92  ILE   B HB   1 c 
ATOM   1163 H HG12 . ILE   A 1 80  ? -23.202 -9      -2.966  1   19.096  ? 92  ILE   B HG12 1 c 
ATOM   1164 H HG13 . ILE   A 1 80  ? -22.92  -8.216  -4.312  1   18.909  ? 92  ILE   B HG13 1 c 
ATOM   1165 H HG21 . ILE   A 1 80  ? -21.249 -8.141  -1.139  1   19.454  ? 92  ILE   B HG21 1 c 
ATOM   1166 H HG22 . ILE   A 1 80  ? -22.774 -7.921  -0.766  1   19.507  ? 92  ILE   B HG22 1 c 
ATOM   1167 H HG23 . ILE   A 1 80  ? -21.751 -6.712  -0.678  1   19.647  ? 92  ILE   B HG23 1 c 
ATOM   1168 H HD11 . ILE   A 1 80  ? -20.611 -8.734  -4.119  1   19.511  ? 92  ILE   B HD11 1 c 
ATOM   1169 H HD12 . ILE   A 1 80  ? -21.489 -10.06  -4.196  1   19.646  ? 92  ILE   B HD12 1 c 
ATOM   1170 H HD13 . ILE   A 1 80  ? -20.916 -9.565  -2.796  1   19.737  ? 92  ILE   B HD13 1 c 
ATOM   1171 N N    . GLY   A 1 81  ? -22.437 -4.11   -2.1    1   16.297  ? 93  GLY   B N    1 ? 
ATOM   1172 C CA   . GLY   A 1 81  ? -22.094 -3.061  -1.147  1   15.896  ? 93  GLY   B CA   1 ? 
ATOM   1173 C C    . GLY   A 1 81  ? -23.168 -1.996  -0.992  1   14.92   ? 93  GLY   B C    1 ? 
ATOM   1174 O O    . GLY   A 1 81  ? -23.466 -1.541  0.117   1   16.349  ? 93  GLY   B O    1 ? 
ATOM   1175 H H    . GLY   A 1 81  ? -22.014 -4.139  -2.909  1   16.354  ? 93  GLY   B H    1 c 
ATOM   1176 H HA2  . GLY   A 1 81  ? -21.924 -3.474  -0.27   1   15.758  ? 93  GLY   B HA2  1 c 
ATOM   1177 H HA3  . GLY   A 1 81  ? -21.256 -2.632  -1.44   1   15.809  ? 93  GLY   B HA3  1 c 
ATOM   1178 N N    . VAL   A 1 82  ? -23.738 -1.5    -2.097  1   16.508  ? 94  VAL   B N    1 ? 
ATOM   1179 C CA   . VAL   A 1 82  ? -24.698 -0.432  -2.004  1   16.569  ? 94  VAL   B CA   1 ? 
ATOM   1180 C C    . VAL   A 1 82  ? -25.964 -0.946  -1.298  1   17.757  ? 94  VAL   B C    1 ? 
ATOM   1181 O O    . VAL   A 1 82  ? -26.67  -0.162  -0.647  1   18.937  ? 94  VAL   B O    1 ? 
ATOM   1182 C CB   . VAL   A 1 82  ? -24.932 0.197   -3.385  1   17.433  ? 94  VAL   B CB   1 ? 
ATOM   1183 C CG1  . VAL   A 1 82  ? -26.061 1.224   -3.291  1   19.345  ? 94  VAL   B CG1  1 ? 
ATOM   1184 C CG2  . VAL   A 1 82  ? -23.649 0.848   -3.893  1   18.186  ? 94  VAL   B CG2  1 ? 
ATOM   1185 H H    . VAL   A 1 82  ? -23.522 -1.84   -2.917  1   16.194  ? 94  VAL   B H    1 c 
ATOM   1186 H HA   . VAL   A 1 82  ? -24.308 0.261   -1.436  1   16.673  ? 94  VAL   B HA   1 c 
ATOM   1187 H HB   . VAL   A 1 82  ? -25.2   -0.522  -4.003  1   17.588  ? 94  VAL   B HB   1 c 
ATOM   1188 H HG11 . VAL   A 1 82  ? -25.866 1.858   -2.58   1   18.962  ? 94  VAL   B HG11 1 c 
ATOM   1189 H HG12 . VAL   A 1 82  ? -26.901 0.772   -3.101  1   18.965  ? 94  VAL   B HG12 1 c 
ATOM   1190 H HG13 . VAL   A 1 82  ? -26.135 1.698   -4.135  1   18.802  ? 94  VAL   B HG13 1 c 
ATOM   1191 H HG21 . VAL   A 1 82  ? -23.815 1.259   -4.758  1   17.967  ? 94  VAL   B HG21 1 c 
ATOM   1192 H HG22 . VAL   A 1 82  ? -22.955 0.174   -3.984  1   18.044  ? 94  VAL   B HG22 1 c 
ATOM   1193 H HG23 . VAL   A 1 82  ? -23.358 1.528   -3.262  1   17.973  ? 94  VAL   B HG23 1 c 
ATOM   1194 N N    . ALA   A 1 83  ? -26.283 -2.247  -1.436  1   16.165  ? 95  ALA   B N    1 ? 
ATOM   1195 C CA   . ALA   A 1 83  ? -27.421 -2.85   -0.756  1   18.084  ? 95  ALA   B CA   1 ? 
ATOM   1196 C C    . ALA   A 1 83  ? -27.286 -2.758  0.78    1   17.737  ? 95  ALA   B C    1 ? 
ATOM   1197 O O    . ALA   A 1 83  ? -28.301 -2.894  1.474   1   20.718  ? 95  ALA   B O    1 ? 
ATOM   1198 C CB   . ALA   A 1 83  ? -27.577 -4.304  -1.219  1   18.984  ? 95  ALA   B CB   1 ? 
ATOM   1199 H H    . ALA   A 1 83  ? -25.775 -2.772  -1.984  1   16.691  ? 95  ALA   B H    1 c 
ATOM   1200 H HA   . ALA   A 1 83  ? -28.237 -2.342  -1.02   1   17.775  ? 95  ALA   B HA   1 c 
ATOM   1201 H HB1  . ALA   A 1 83  ? -27.724 -4.327  -2.18   1   18.75   ? 95  ALA   B HB1  1 c 
ATOM   1202 H HB2  . ALA   A 1 83  ? -26.772 -4.804  -1.005  1   18.864  ? 95  ALA   B HB2  1 c 
ATOM   1203 H HB3  . ALA   A 1 83  ? -28.337 -4.711  -0.769  1   18.767  ? 95  ALA   B HB3  1 c 
ATOM   1204 N N    . THR   A 1 84  ? -26.082 -2.547  1.313   1   17.644  ? 96  THR   B N    1 ? 
ATOM   1205 C CA   . THR   A 1 84  ? -25.861 -2.405  2.744   1   18.675  ? 96  THR   B CA   1 ? 
ATOM   1206 C C    . THR   A 1 84  ? -25.963 -0.966  3.243   1   18.024  ? 96  THR   B C    1 ? 
ATOM   1207 O O    . THR   A 1 84  ? -25.811 -0.76   4.455   1   21.614  ? 96  THR   B O    1 ? 
ATOM   1208 C CB   . THR   A 1 84  ? -24.504 -2.97   3.148   1   18.036  ? 96  THR   B CB   1 ? 
ATOM   1209 O OG1  . THR   A 1 84  ? -23.461 -2.081  2.746   1   18.219  ? 96  THR   B OG1  1 ? 
ATOM   1210 C CG2  . THR   A 1 84  ? -24.294 -4.401  2.679   1   19.807  ? 96  THR   B CG2  1 ? 
ATOM   1211 H H    . THR   A 1 84  ? -25.356 -2.507  0.76    1   17.944  ? 96  THR   B H    1 c 
ATOM   1212 H HA   . THR   A 1 84  ? -26.55  -2.931  3.204   1   18.357  ? 96  THR   B HA   1 c 
ATOM   1213 H HB   . THR   A 1 84  ? -24.495 -3.013  4.134   1   18.37   ? 96  THR   B HB   1 c 
ATOM   1214 H HG1  . THR   A 1 84  ? -23.487 -1.984  1.889   0   18.44   ? 96  THR   B HG1  1 c 
ATOM   1215 H HG21 . THR   A 1 84  ? -23.429 -4.72   2.986   1   19.486  ? 96  THR   B HG21 1 c 
ATOM   1216 H HG22 . THR   A 1 84  ? -24.324 -4.433  1.709   1   19.379  ? 96  THR   B HG22 1 c 
ATOM   1217 H HG23 . THR   A 1 84  ? -24.995 -4.968  3.043   1   19.44   ? 96  THR   B HG23 1 c 
ATOM   1218 N N    . MET   A 1 85  ? -26.128 0.023   2.361   1   18.658  ? 97  MET   B N    1 ? 
ATOM   1219 C CA   . MET   A 1 85  ? -25.958 1.432   2.73    1   18.785  ? 97  MET   B CA   1 ? 
ATOM   1220 C C    . MET   A 1 85  ? -27.296 2.115   3.004   1   22.035  ? 97  MET   B C    1 ? 
ATOM   1221 O O    . MET   A 1 85  ? -28.311 1.742   2.433   1   20.927  ? 97  MET   B O    1 ? 
ATOM   1222 C CB   . MET   A 1 85  ? -25.269 2.195   1.596   1   19.307  ? 97  MET   B CB   1 ? 
ATOM   1223 C CG   . MET   A 1 85  ? -23.828 1.729   1.358   1   17.489  ? 97  MET   B CG   1 ? 
ATOM   1224 S SD   . MET   A 1 85  ? -22.987 2.647   0.064   1   18.723  ? 97  MET   B SD   1 ? 
ATOM   1225 C CE   . MET   A 1 85  ? -22.8   4.233   0.907   1   18.367  ? 97  MET   B CE   1 ? 
ATOM   1226 H H    . MET   A 1 85  ? -26.357 -0.177  1.5     1   18.595  ? 97  MET   B H    1 c 
ATOM   1227 H HA   . MET   A 1 85  ? -25.398 1.479   3.546   1   19.049  ? 97  MET   B HA   1 c 
ATOM   1228 H HB2  . MET   A 1 85  ? -25.787 2.072   0.772   1   19.082  ? 97  MET   B HB2  1 c 
ATOM   1229 H HB3  . MET   A 1 85  ? -25.268 3.151   1.813   1   18.869  ? 97  MET   B HB3  1 c 
ATOM   1230 H HG2  . MET   A 1 85  ? -23.32  1.822   2.186   1   17.852  ? 97  MET   B HG2  1 c 
ATOM   1231 H HG3  . MET   A 1 85  ? -23.833 0.783   1.116   1   17.926  ? 97  MET   B HG3  1 c 
ATOM   1232 H HE1  . MET   A 1 85  ? -22.343 4.861   0.318   1   18.457  ? 97  MET   B HE1  1 c 
ATOM   1233 H HE2  . MET   A 1 85  ? -23.679 4.587   1.136   1   18.404  ? 97  MET   B HE2  1 c 
ATOM   1234 H HE3  . MET   A 1 85  ? -22.276 4.109   1.72    1   18.513  ? 97  MET   B HE3  1 c 
ATOM   1235 N N    . LYS   A 1 86  ? -27.264 3.085   3.919   1   22.531  ? 98  LYS   B N    1 ? 
ATOM   1236 C CA   . LYS   A 1 86  ? -28.395 3.944   4.246   1   24.637  ? 98  LYS   B CA   1 ? 
ATOM   1237 C C    . LYS   A 1 86  ? -28.27  5.245   3.443   1   24.369  ? 98  LYS   B C    1 ? 
ATOM   1238 O O    . LYS   A 1 86  ? -27.176 5.706   3.125   1   24.293  ? 98  LYS   B O    1 ? 
ATOM   1239 C CB   . LYS   A 1 86  ? -28.484 4.192   5.774   1   27.545  ? 98  LYS   B CB   1 ? 
ATOM   1240 H H    . LYS   A 1 86  ? -26.479 3.226   4.366   1   22.565  ? 98  LYS   B H    1 c 
ATOM   1241 H HA   . LYS   A 1 86  ? -29.225 3.483   3.964   1   24.635  ? 98  LYS   B HA   1 c 
ATOM   1242 H HB2  . LYS   A 1 86  ? -27.575 4.256   6.131   0   27      ? 98  LYS   B HB2  1 c 
ATOM   1243 H HB3  . LYS   A 1 86  ? -29.431 4.238   6.02    0   27      ? 98  LYS   B HB3  1 c 
ATOM   1244 N N    . LYS   A 1 87  ? -29.404 5.926   3.217   1   26.292  ? 99  LYS   B N    1 ? 
ATOM   1245 C CA   . LYS   A 1 87  ? -29.393 7.239   2.606   1   26.593  ? 99  LYS   B CA   1 ? 
ATOM   1246 C C    . LYS   A 1 87  ? -28.529 8.184   3.438   1   25.87   ? 99  LYS   B C    1 ? 
ATOM   1247 O O    . LYS   A 1 87  ? -28.7   8.264   4.649   1   27.549  ? 99  LYS   B O    1 ? 
ATOM   1248 C CB   . LYS   A 1 87  ? -30.813 7.792   2.45    1   30.126  ? 99  LYS   B CB   1 ? 
ATOM   1249 C CG   . LYS   A 1 87  ? -30.918 9.113   1.718   1   32.015  ? 99  LYS   B CG   1 ? 
ATOM   1250 C CD   . LYS   A 1 87  ? -32.363 9.551   1.462   1   35.166  ? 99  LYS   B CD   1 ? 
ATOM   1251 C CE   . LYS   A 1 87  ? -32.436 10.833  0.711   1   40.165  ? 99  LYS   B CE   1 ? 
ATOM   1252 N NZ   . LYS   A 1 87  ? -33.812 11.215  0.436   1   46.643  ? 99  LYS   B NZ   1 ? 
ATOM   1253 H H    . LYS   A 1 87  ? -30.206 5.556   3.454   1   25.672  ? 99  LYS   B H    1 c 
ATOM   1254 H HA   . LYS   A 1 87  ? -28.99  7.153   1.705   1   26.662  ? 99  LYS   B HA   1 c 
ATOM   1255 H HB2  . LYS   A 1 87  ? -31.355 7.13    1.97    1   29.589  ? 99  LYS   B HB2  1 c 
ATOM   1256 H HB3  . LYS   A 1 87  ? -31.204 7.903   3.343   1   29.709  ? 99  LYS   B HB3  1 c 
ATOM   1257 H HG2  . LYS   A 1 87  ? -30.463 9.804   2.248   1   32.201  ? 99  LYS   B HG2  1 c 
ATOM   1258 H HG3  . LYS   A 1 87  ? -30.449 9.034   0.859   1   32.069  ? 99  LYS   B HG3  1 c 
ATOM   1259 H HD2  . LYS   A 1 87  ? -32.825 8.852   0.95    1   35.25   ? 99  LYS   B HD2  1 c 
ATOM   1260 H HD3  . LYS   A 1 87  ? -32.825 9.656   2.322   1   35.366  ? 99  LYS   B HD3  1 c 
ATOM   1261 H HE2  . LYS   A 1 87  ? -32.008 11.539  1.228   1   40.069  ? 99  LYS   B HE2  1 c 
ATOM   1262 H HE3  . LYS   A 1 87  ? -31.961 10.744  -0.133  1   40.08   ? 99  LYS   B HE3  1 c 
ATOM   1263 H HZ1  . LYS   A 1 87  ? -34.272 11.29   1.213   1   44.961  ? 99  LYS   B HZ1  1 c 
ATOM   1264 H HZ2  . LYS   A 1 87  ? -34.206 10.586  -0.084  1   44.95   ? 99  LYS   B HZ2  1 c 
ATOM   1265 H HZ3  . LYS   A 1 87  ? -33.829 12.011  0.003   1   44.951  ? 99  LYS   B HZ3  1 c 
ATOM   1266 N N    . GLY   A 1 88  ? -27.62  8.913   2.777   1   24.493  ? 100 GLY   B N    1 ? 
ATOM   1267 C CA   . GLY   A 1 88  ? -26.711 9.831   3.436   1   23.955  ? 100 GLY   B CA   1 ? 
ATOM   1268 C C    . GLY   A 1 88  ? -25.394 9.224   3.872   1   23.459  ? 100 GLY   B C    1 ? 
ATOM   1269 O O    . GLY   A 1 88  ? -24.487 9.962   4.28    1   26.295  ? 100 GLY   B O    1 ? 
ATOM   1270 H H    . GLY   A 1 88  ? -27.568 8.831   1.868   1   24.178  ? 100 GLY   B H    1 c 
ATOM   1271 H HA2  . GLY   A 1 88  ? -26.527 10.577  2.822   1   23.91   ? 100 GLY   B HA2  1 c 
ATOM   1272 H HA3  . GLY   A 1 88  ? -27.165 10.208  4.226   1   23.937  ? 100 GLY   B HA3  1 c 
ATOM   1273 N N    . GLU   A 1 89  ? -25.279 7.891   3.794   1   22.637  ? 101 GLU   B N    1 ? 
ATOM   1274 C CA   . GLU   A 1 89  ? -24.076 7.207   4.251   1   22.18   ? 101 GLU   B CA   1 ? 
ATOM   1275 C C    . GLU   A 1 89  ? -22.94  7.449   3.263   1   20.442  ? 101 GLU   B C    1 ? 
ATOM   1276 O O    . GLU   A 1 89  ? -23.155 7.492   2.043   1   21.296  ? 101 GLU   B O    1 ? 
ATOM   1277 C CB   . GLU   A 1 89  ? -24.36  5.715   4.341   1   20.268  ? 101 GLU   B CB   1 ? 
ATOM   1278 C CG   . GLU   A 1 89  ? -23.233 4.875   4.887   1   20.324  ? 101 GLU   B CG   1 ? 
ATOM   1279 C CD   . GLU   A 1 89  ? -23.596 3.392   4.989   1   19.634  ? 101 GLU   B CD   1 ? 
ATOM   1280 O OE1  . GLU   A 1 89  ? -24.72  3.151   5.507   1   21.055  ? 101 GLU   B OE1  1 ? 
ATOM   1281 O OE2  . GLU   A 1 89  ? -22.817 2.495   4.543   1   20.08   ? 101 GLU   B OE2  1 ? 
ATOM   1282 H H    . GLU   A 1 89  ? -25.96  7.394   3.443   1   22.851  ? 101 GLU   B H    1 c 
ATOM   1283 H HA   . GLU   A 1 89  ? -23.827 7.56    5.14    1   21.682  ? 101 GLU   B HA   1 c 
ATOM   1284 H HB2  . GLU   A 1 89  ? -25.151 5.584   4.904   1   20.57   ? 101 GLU   B HB2  1 c 
ATOM   1285 H HB3  . GLU   A 1 89  ? -24.577 5.386   3.444   1   20.579  ? 101 GLU   B HB3  1 c 
ATOM   1286 H HG2  . GLU   A 1 89  ? -22.448 4.966   4.308   1   20.118  ? 101 GLU   B HG2  1 c 
ATOM   1287 H HG3  . GLU   A 1 89  ? -22.991 5.201   5.78    1   20.177  ? 101 GLU   B HG3  1 c 
ATOM   1288 N N    . ILE   A 1 90  ? -21.726 7.591   3.811   1   20.569  ? 102 ILE   B N    1 ? 
ATOM   1289 C CA   . ILE   A 1 90  ? -20.51  7.509   3.029   1   19.247  ? 102 ILE   B CA   1 ? 
ATOM   1290 C C    . ILE   A 1 90  ? -19.793 6.253   3.484   1   19.623  ? 102 ILE   B C    1 ? 
ATOM   1291 O O    . ILE   A 1 90  ? -19.564 6.075   4.692   1   20.522  ? 102 ILE   B O    1 ? 
ATOM   1292 C CB   . ILE   A 1 90  ? -19.614 8.745   3.172   1   19.786  ? 102 ILE   B CB   1 ? 
ATOM   1293 C CG1  . ILE   A 1 90  ? -20.365 9.993   2.725   1   22.513  ? 102 ILE   B CG1  1 ? 
ATOM   1294 C CG2  . ILE   A 1 90  ? -18.307 8.541   2.399   1   21.883  ? 102 ILE   B CG2  1 ? 
ATOM   1295 C CD1  . ILE   A 1 90  ? -19.6   11.301  2.866   1   23.374  ? 102 ILE   B CD1  1 ? 
ATOM   1296 H H    . ILE   A 1 90  ? -21.658 7.746   4.709   1   20.265  ? 102 ILE   B H    1 c 
ATOM   1297 H HA   . ILE   A 1 90  ? -20.751 7.412   2.091   1   19.526  ? 102 ILE   B HA   1 c 
ATOM   1298 H HB   . ILE   A 1 90  ? -19.395 8.85    4.119   1   20.213  ? 102 ILE   B HB   1 c 
ATOM   1299 H HG12 . ILE   A 1 90  ? -20.617 9.882   1.786   1   22.167  ? 102 ILE   B HG12 1 c 
ATOM   1300 H HG13 . ILE   A 1 90  ? -21.19  10.062  3.246   1   22.037  ? 102 ILE   B HG13 1 c 
ATOM   1301 H HG21 . ILE   A 1 90  ? -17.747 9.33    2.488   1   21.399  ? 102 ILE   B HG21 1 c 
ATOM   1302 H HG22 . ILE   A 1 90  ? -18.505 8.391   1.459   1   21.511  ? 102 ILE   B HG22 1 c 
ATOM   1303 H HG23 . ILE   A 1 90  ? -17.832 7.772   2.755   1   21.427  ? 102 ILE   B HG23 1 c 
ATOM   1304 H HD11 . ILE   A 1 90  ? -19.314 11.412  3.793   1   23.24   ? 102 ILE   B HD11 1 c 
ATOM   1305 H HD12 . ILE   A 1 90  ? -20.181 12.044  2.617   1   23.106  ? 102 ILE   B HD12 1 c 
ATOM   1306 H HD13 . ILE   A 1 90  ? -18.817 11.296  2.284   1   23.252  ? 102 ILE   B HD13 1 c 
ATOM   1307 N N    . ALA   A 1 91  ? -19.405 5.417   2.521   1   17.607  ? 103 ALA   B N    1 ? 
ATOM   1308 C CA   . ALA   A 1 91  ? -18.708 4.182   2.795   1   17.089  ? 103 ALA   B CA   1 ? 
ATOM   1309 C C    . ALA   A 1 91  ? -17.487 4.036   1.913   1   16.014  ? 103 ALA   B C    1 ? 
ATOM   1310 O O    . ALA   A 1 91  ? -17.426 4.59    0.81    1   16.676  ? 103 ALA   B O    1 ? 
ATOM   1311 C CB   . ALA   A 1 91  ? -19.607 2.986   2.596   1   18.204  ? 103 ALA   B CB   1 ? 
ATOM   1312 H H    . ALA   A 1 91  ? -19.583 5.631   1.651   1   17.906  ? 103 ALA   B H    1 c 
ATOM   1313 H HA   . ALA   A 1 91  ? -18.404 4.201   3.743   1   17.03   ? 103 ALA   B HA   1 c 
ATOM   1314 H HB1  . ALA   A 1 91  ? -20.373 3.05    3.191   1   17.931  ? 103 ALA   B HB1  1 c 
ATOM   1315 H HB2  . ALA   A 1 91  ? -19.917 2.96    1.675   1   18.124  ? 103 ALA   B HB2  1 c 
ATOM   1316 H HB3  . ALA   A 1 91  ? -19.116 2.171   2.792   1   17.956  ? 103 ALA   B HB3  1 c 
ATOM   1317 N N    . HIS   A 1 92  ? -16.503 3.337   2.465   1   15.268  ? 104 HIS   B N    1 ? 
ATOM   1318 C CA   . HIS   A 1 92  ? -15.338 2.897   1.701   1   15.956  ? 104 HIS   B CA   1 ? 
ATOM   1319 C C    . HIS   A 1 92  ? -15.449 1.402   1.422   1   15.133  ? 104 HIS   B C    1 ? 
ATOM   1320 O O    . HIS   A 1 92  ? -15.773 0.631   2.322   1   15.4    ? 104 HIS   B O    1 ? 
ATOM   1321 C CB   . HIS   A 1 92  ? -14.04  3.152   2.464   1   16.293  ? 104 HIS   B CB   1 ? 
ATOM   1322 C CG   . HIS   A 1 92  ? -13.639 4.58    2.514   1   18.031  ? 104 HIS   B CG   1 ? 
ATOM   1323 N ND1  . HIS   A 1 92  ? -12.534 5.058   3.156   1   20.215  ? 104 HIS   B ND1  1 ? 
ATOM   1324 C CD2  . HIS   A 1 92  ? -14.205 5.624   1.91    1   18.283  ? 104 HIS   B CD2  1 ? 
ATOM   1325 C CE1  . HIS   A 1 92  ? -12.451 6.368   2.938   1   20.843  ? 104 HIS   B CE1  1 ? 
ATOM   1326 N NE2  . HIS   A 1 92  ? -13.476 6.741   2.204   1   19.065  ? 104 HIS   B NE2  1 ? 
ATOM   1327 H H    . HIS   A 1 92  ? -16.551 3.12    3.352   1   15.491  ? 104 HIS   B H    1 c 
ATOM   1328 H HA   . HIS   A 1 92  ? -15.316 3.378   0.841   1   15.934  ? 104 HIS   B HA   1 c 
ATOM   1329 H HB2  . HIS   A 1 92  ? -14.144 2.819   3.381   1   16.469  ? 104 HIS   B HB2  1 c 
ATOM   1330 H HB3  . HIS   A 1 92  ? -13.32  2.636   2.04    1   16.395  ? 104 HIS   B HB3  1 c 
ATOM   1331 H HD1  . HIS   A 1 92  ? -11.974 4.585   3.645   0   20.47   ? 104 HIS   B HD1  1 c 
ATOM   1332 H HD2  . HIS   A 1 92  ? -14.984 5.613   1.39    1   18.478  ? 104 HIS   B HD2  1 c 
ATOM   1333 H HE1  . HIS   A 1 92  ? -11.793 6.938   3.295   1   20.114  ? 104 HIS   B HE1  1 c 
ATOM   1334 H HE2  . HIS   A 1 92  ? -13.655 7.556   1.943   0   19.2    ? 104 HIS   B HE2  1 c 
ATOM   1335 N N    . LEU   A 1 93  ? -15.213 1.037   0.159   1   14.912  ? 105 LEU   B N    1 ? 
ATOM   1336 C CA   . LEU   A 1 93  ? -15.154 -0.362  -0.271  1   14.355  ? 105 LEU   B CA   1 ? 
ATOM   1337 C C    . LEU   A 1 93  ? -13.782 -0.683  -0.848  1   15.2    ? 105 LEU   B C    1 ? 
ATOM   1338 O O    . LEU   A 1 93  ? -13.261 0.108   -1.643  1   16.447  ? 105 LEU   B O    1 ? 
ATOM   1339 C CB   . LEU   A 1 93  ? -16.195 -0.685  -1.34   1   14.486  ? 105 LEU   B CB   1 ? 
ATOM   1340 C CG   . LEU   A 1 93  ? -17.669 -0.488  -0.994  1   15.604  ? 105 LEU   B CG   1 ? 
ATOM   1341 C CD1  . LEU   A 1 93  ? -18.597 -0.881  -2.13   1   17.153  ? 105 LEU   B CD1  1 ? 
ATOM   1342 C CD2  . LEU   A 1 93  ? -18.068 -1.28   0.249   1   16.922  ? 105 LEU   B CD2  1 ? 
ATOM   1343 H H    . LEU   A 1 93  ? -15.082 1.687   -0.47   1   14.891  ? 105 LEU   B H    1 c 
ATOM   1344 H HA   . LEU   A 1 93  ? -15.31  -0.936  0.516   1   14.557  ? 105 LEU   B HA   1 c 
ATOM   1345 H HB2  . LEU   A 1 93  ? -15.992 -0.138  -2.133  1   14.586  ? 105 LEU   B HB2  1 c 
ATOM   1346 H HB3  . LEU   A 1 93  ? -16.068 -1.625  -1.609  1   14.664  ? 105 LEU   B HB3  1 c 
ATOM   1347 H HG   . LEU   A 1 93  ? -17.813 0.475   -0.801  1   15.717  ? 105 LEU   B HG   1 c 
ATOM   1348 H HD11 . LEU   A 1 93  ? -18.4   -0.34   -2.913  1   16.817  ? 105 LEU   B HD11 1 c 
ATOM   1349 H HD12 . LEU   A 1 93  ? -19.52  -0.736  -1.861  1   16.875  ? 105 LEU   B HD12 1 c 
ATOM   1350 H HD13 . LEU   A 1 93  ? -18.468 -1.82   -2.345  1   16.879  ? 105 LEU   B HD13 1 c 
ATOM   1351 H HD21 . LEU   A 1 93  ? -17.568 -0.957  1.017   1   16.608  ? 105 LEU   B HD21 1 c 
ATOM   1352 H HD22 . LEU   A 1 93  ? -17.874 -2.222  0.111   1   16.693  ? 105 LEU   B HD22 1 c 
ATOM   1353 H HD23 . LEU   A 1 93  ? -19.02  -1.168  0.414   1   16.532  ? 105 LEU   B HD23 1 c 
ATOM   1354 N N    . LEU   A 1 94  ? -13.266 -1.85   -0.49   1   13.986  ? 106 LEU   B N    1 ? 
ATOM   1355 C CA   . LEU   A 1 94  ? -12.07  -2.412  -1.109  1   13.602  ? 106 LEU   B CA   1 ? 
ATOM   1356 C C    . LEU   A 1 94  ? -12.453 -3.756  -1.674  1   14.307  ? 106 LEU   B C    1 ? 
ATOM   1357 O O    . LEU   A 1 94  ? -13.075 -4.574  -0.996  1   14.701  ? 106 LEU   B O    1 ? 
ATOM   1358 C CB   . LEU   A 1 94  ? -10.927 -2.562  -0.108  1   15.207  ? 106 LEU   B CB   1 ? 
ATOM   1359 C CG   . LEU   A 1 94  ? -9.582  -2.894  -0.775  1   17.029  ? 106 LEU   B CG   1 ? 
ATOM   1360 C CD1  . LEU   A 1 94  ? -8.984  -1.823  -1.618  1   17.562  ? 106 LEU   B CD1  1 ? 
ATOM   1361 C CD2  . LEU   A 1 94  ? -8.589  -3.264  0.27    1   18.503  ? 106 LEU   B CD2  1 ? 
ATOM   1362 H H    . LEU   A 1 94  ? -13.674 -2.326  0.175   1   14.235  ? 106 LEU   B H    1 c 
ATOM   1363 H HA   . LEU   A 1 94  ? -11.786 -1.818  -1.847  1   13.756  ? 106 LEU   B HA   1 c 
ATOM   1364 H HB2  . LEU   A 1 94  ? -10.833 -1.718  0.39    1   15.177  ? 106 LEU   B HB2  1 c 
ATOM   1365 H HB3  . LEU   A 1 94  ? -11.155 -3.284  0.523   1   15.255  ? 106 LEU   B HB3  1 c 
ATOM   1366 H HG   . LEU   A 1 94  ? -9.717  -3.688  -1.353  1   16.912  ? 106 LEU   B HG   1 c 
ATOM   1367 H HD11 . LEU   A 1 94  ? -9.592  -1.599  -2.341  1   17.391  ? 106 LEU   B HD11 1 c 
ATOM   1368 H HD12 . LEU   A 1 94  ? -8.142  -2.134  -1.991  1   17.356  ? 106 LEU   B HD12 1 c 
ATOM   1369 H HD13 . LEU   A 1 94  ? -8.824  -1.033  -1.074  1   17.502  ? 106 LEU   B HD13 1 c 
ATOM   1370 H HD21 . LEU   A 1 94  ? -8.915  -4.029  0.772   1   18.205  ? 106 LEU   B HD21 1 c 
ATOM   1371 H HD22 . LEU   A 1 94  ? -8.457  -2.514  0.873   1   18.226  ? 106 LEU   B HD22 1 c 
ATOM   1372 H HD23 . LEU   A 1 94  ? -7.743  -3.493  -0.151  1   18.218  ? 106 LEU   B HD23 1 c 
ATOM   1373 N N    . ILE   A 1 95  ? -12.154 -3.947  -2.96   1   14.323  ? 107 ILE   B N    1 ? 
ATOM   1374 C CA   . ILE   A 1 95  ? -12.791 -4.992  -3.755  1   14.619  ? 107 ILE   B CA   1 ? 
ATOM   1375 C C    . ILE   A 1 95  ? -11.759 -5.854  -4.482  1   14.335  ? 107 ILE   B C    1 ? 
ATOM   1376 O O    . ILE   A 1 95  ? -11.001 -5.332  -5.317  1   15.57   ? 107 ILE   B O    1 ? 
ATOM   1377 C CB   . ILE   A 1 95  ? -13.727 -4.319  -4.765  1   14.842  ? 107 ILE   B CB   1 ? 
ATOM   1378 C CG1  . ILE   A 1 95  ? -14.79  -3.476  -4.083  1   15.282  ? 107 ILE   B CG1  1 ? 
ATOM   1379 C CG2  . ILE   A 1 95  ? -14.324 -5.366  -5.693  1   15.19   ? 107 ILE   B CG2  1 ? 
ATOM   1380 C CD1  . ILE   A 1 95  ? -15.383 -2.464  -5.03   1   16.52   ? 107 ILE   B CD1  1 ? 
ATOM   1381 H H    . ILE   A 1 95  ? -11.529 -3.413  -3.359  1   14.165  ? 107 ILE   B H    1 c 
ATOM   1382 H HA   . ILE   A 1 95  ? -13.323 -5.559  -3.167  1   14.693  ? 107 ILE   B HA   1 c 
ATOM   1383 H HB   . ILE   A 1 95  ? -13.182 -3.718  -5.31   1   14.872  ? 107 ILE   B HB   1 c 
ATOM   1384 H HG12 . ILE   A 1 95  ? -15.5   -4.061  -3.749  1   15.471  ? 107 ILE   B HG12 1 c 
ATOM   1385 H HG13 . ILE   A 1 95  ? -14.396 -3.007  -3.321  1   15.325  ? 107 ILE   B HG13 1 c 
ATOM   1386 H HG21 . ILE   A 1 95  ? -14.982 -4.949  -6.274  1   15.183  ? 107 ILE   B HG21 1 c 
ATOM   1387 H HG22 . ILE   A 1 95  ? -14.753 -6.061  -5.167  1   15.148  ? 107 ILE   B HG22 1 c 
ATOM   1388 H HG23 . ILE   A 1 95  ? -13.623 -5.76   -6.237  1   15.113  ? 107 ILE   B HG23 1 c 
ATOM   1389 H HD11 . ILE   A 1 95  ? -14.674 -1.893  -5.381  1   16.196  ? 107 ILE   B HD11 1 c 
ATOM   1390 H HD12 . ILE   A 1 95  ? -16.034 -1.914  -4.554  1   16.251  ? 107 ILE   B HD12 1 c 
ATOM   1391 H HD13 . ILE   A 1 95  ? -15.826 -2.92   -5.771  1   16.246  ? 107 ILE   B HD13 1 c 
ATOM   1392 N N    . LYS   A 1 96  ? -11.777 -7.168  -4.251  1   14.361  ? 108 LYS   B N    1 ? 
ATOM   1393 C CA   . LYS   A 1 96  ? -10.93  -8.103  -4.979  1   15.08   ? 108 LYS   B CA   1 ? 
ATOM   1394 C C    . LYS   A 1 96  ? -11.45  -8.295  -6.403  1   14.784  ? 108 LYS   B C    1 ? 
ATOM   1395 O O    . LYS   A 1 96  ? -12.637 -8.105  -6.681  1   14.675  ? 108 LYS   B O    1 ? 
ATOM   1396 C CB   . LYS   A 1 96  ? -10.925 -9.456  -4.247  1   15.812  ? 108 LYS   B CB   1 ? 
ATOM   1397 C CG   . LYS   A 1 96  ? -10.266 -9.445  -2.898  1   17.681  ? 108 LYS   B CG   1 ? 
ATOM   1398 C CD   . LYS   A 1 96  ? -10.158 -10.847 -2.307  1   19.322  ? 108 LYS   B CD   1 ? 
ATOM   1399 C CE   . LYS   A 1 96  ? -9.484  -10.9   -0.993  1   23.161  ? 108 LYS   B CE   1 ? 
ATOM   1400 N NZ   . LYS   A 1 96  ? -9.455  -12.243 -0.389  1   28.803  ? 108 LYS   B NZ   1 ? 
ATOM   1401 H H    . LYS   A 1 96  ? -12.341 -7.498  -3.611  1   14.446  ? 108 LYS   B H    1 c 
ATOM   1402 H HA   . LYS   A 1 96  ? -10.01  -7.737  -5.01   1   15.124  ? 108 LYS   B HA   1 c 
ATOM   1403 H HB2  . LYS   A 1 96  ? -11.853 -9.754  -4.134  1   15.934  ? 108 LYS   B HB2  1 c 
ATOM   1404 H HB3  . LYS   A 1 96  ? -10.468 -10.117 -4.808  1   15.951  ? 108 LYS   B HB3  1 c 
ATOM   1405 H HG2  . LYS   A 1 96  ? -9.368  -9.058  -2.986  1   17.564  ? 108 LYS   B HG2  1 c 
ATOM   1406 H HG3  . LYS   A 1 96  ? -10.789 -8.876  -2.293  1   17.632  ? 108 LYS   B HG3  1 c 
ATOM   1407 H HD2  . LYS   A 1 96  ? -11.06  -11.222 -2.216  1   19.313  ? 108 LYS   B HD2  1 c 
ATOM   1408 H HD3  . LYS   A 1 96  ? -9.666  -11.415 -2.939  1   19.25   ? 108 LYS   B HD3  1 c 
ATOM   1409 H HE2  . LYS   A 1 96  ? -8.567  -10.588 -1.098  1   22.823  ? 108 LYS   B HE2  1 c 
ATOM   1410 H HE3  . LYS   A 1 96  ? -9.932  -10.292 -0.379  1   22.729  ? 108 LYS   B HE3  1 c 
ATOM   1411 H HZ1  . LYS   A 1 96  ? -9.02   -12.817 -0.939  1   27.331  ? 108 LYS   B HZ1  1 c 
ATOM   1412 H HZ2  . LYS   A 1 96  ? -10.302 -12.539 -0.26   1   26.965  ? 108 LYS   B HZ2  1 c 
ATOM   1413 H HZ3  . LYS   A 1 96  ? -9.026  -12.212 0.409   1   27.437  ? 108 LYS   B HZ3  1 c 
ATOM   1414 N N    . PRO   A 1 97  ? -10.576 -8.737  -7.339  1   15.332  ? 109 PRO   B N    1 ? 
ATOM   1415 C CA   . PRO   A 1 97  ? -10.968 -8.833  -8.743  1   14.785  ? 109 PRO   B CA   1 ? 
ATOM   1416 C C    . PRO   A 1 97  ? -12.18  -9.72   -8.989  1   15.832  ? 109 PRO   B C    1 ? 
ATOM   1417 O O    . PRO   A 1 97  ? -12.944 -9.463  -9.922  1   15.725  ? 109 PRO   B O    1 ? 
ATOM   1418 C CB   . PRO   A 1 97  ? -9.71   -9.296  -9.478  1   16.66   ? 109 PRO   B CB   1 ? 
ATOM   1419 C CG   . PRO   A 1 97  ? -8.777  -9.692  -8.373  1   18.125  ? 109 PRO   B CG   1 ? 
ATOM   1420 C CD   . PRO   A 1 97  ? -9.16   -8.955  -7.136  1   15.856  ? 109 PRO   B CD   1 ? 
ATOM   1421 H HA   . PRO   A 1 97  ? -11.181 -7.931  -9.061  1   15.101  ? 109 PRO   B HA   1 c 
ATOM   1422 H HB2  . PRO   A 1 97  ? -9.904  -10.055 -10.062 1   16.523  ? 109 PRO   B HB2  1 c 
ATOM   1423 H HB3  . PRO   A 1 97  ? -9.331  -8.571  -10.013 1   16.458  ? 109 PRO   B HB3  1 c 
ATOM   1424 H HG2  . PRO   A 1 97  ? -8.831  -10.656 -8.216  1   17.558  ? 109 PRO   B HG2  1 c 
ATOM   1425 H HG3  . PRO   A 1 97  ? -7.855  -9.475  -8.617  1   17.488  ? 109 PRO   B HG3  1 c 
ATOM   1426 H HD2  . PRO   A 1 97  ? -8.997  -9.491  -6.338  1   15.931  ? 109 PRO   B HD2  1 c 
ATOM   1427 H HD3  . PRO   A 1 97  ? -8.683  -8.106  -7.062  1   16.019  ? 109 PRO   B HD3  1 c 
ATOM   1428 N N    . GLU   A 1 98  ? -12.39  -10.758 -8.176  1   15.707  ? 110 GLU   B N    1 ? 
ATOM   1429 C CA   . GLU   A 1 98  ? -13.517 -11.654 -8.37   1   17.115  ? 110 GLU   B CA   1 ? 
ATOM   1430 C C    . GLU   A 1 98  ? -14.86  -10.945 -8.27   1   16.424  ? 110 GLU   B C    1 ? 
ATOM   1431 O O    . GLU   A 1 98  ? -15.858 -11.465 -8.767  1   19.933  ? 110 GLU   B O    1 ? 
ATOM   1432 C CB   . GLU   A 1 98  ? -13.459 -12.832 -7.397  1   17.904  ? 110 GLU   B CB   1 ? 
ATOM   1433 C CG   . GLU   A 1 98  ? -12.264 -13.759 -7.608  1   21.891  ? 110 GLU   B CG   1 ? 
ATOM   1434 C CD   . GLU   A 1 98  ? -10.889 -13.234 -7.183  1   24.113  ? 110 GLU   B CD   1 ? 
ATOM   1435 O OE1  . GLU   A 1 98  ? -10.754 -12.286 -6.325  1   18.636  ? 110 GLU   B OE1  1 ? 
ATOM   1436 O OE2  . GLU   A 1 98  ? -9.938  -13.82  -7.81   1   31.581  ? 110 GLU   B OE2  1 ? 
ATOM   1437 H H    . GLU   A 1 98  ? -11.822 -10.905 -7.476  1   15.933  ? 110 GLU   B H    1 c 
ATOM   1438 H HA   . GLU   A 1 98  ? -13.445 -12.027 -9.283  1   16.853  ? 110 GLU   B HA   1 c 
ATOM   1439 H HB2  . GLU   A 1 98  ? -13.432 -12.482 -6.483  1   18.393  ? 110 GLU   B HB2  1 c 
ATOM   1440 H HB3  . GLU   A 1 98  ? -14.282 -13.357 -7.49   1   18.321  ? 110 GLU   B HB3  1 c 
ATOM   1441 H HG2  . GLU   A 1 98  ? -12.431 -14.594 -7.122  1   21.32   ? 110 GLU   B HG2  1 c 
ATOM   1442 H HG3  . GLU   A 1 98  ? -12.217 -13.991 -8.56   1   21.37   ? 110 GLU   B HG3  1 c 
ATOM   1443 N N    . TYR   A 1 99  ? -14.905 -9.795  -7.582  1   14.935  ? 111 TYR   B N    1 ? 
ATOM   1444 C CA   . TYR   A 1 99  ? -16.132 -9.031  -7.425  1   14.491  ? 111 TYR   B CA   1 ? 
ATOM   1445 C C    . TYR   A 1 99  ? -16.096 -7.734  -8.254  1   15.826  ? 111 TYR   B C    1 ? 
ATOM   1446 O O    . TYR   A 1 99  ? -16.916 -6.833  -8.075  1   15.383  ? 111 TYR   B O    1 ? 
ATOM   1447 C CB   . TYR   A 1 99  ? -16.365 -8.735  -5.927  1   14.702  ? 111 TYR   B CB   1 ? 
ATOM   1448 C CG   . TYR   A 1 99  ? -16.664 -9.999  -5.134  1   14.865  ? 111 TYR   B CG   1 ? 
ATOM   1449 C CD1  . TYR   A 1 99  ? -15.641 -10.773 -4.618  1   15.093  ? 111 TYR   B CD1  1 ? 
ATOM   1450 C CD2  . TYR   A 1 99  ? -17.956 -10.44  -4.953  1   15.454  ? 111 TYR   B CD2  1 ? 
ATOM   1451 C CE1  . TYR   A 1 99  ? -15.911 -11.957 -3.956  1   15.316  ? 111 TYR   B CE1  1 ? 
ATOM   1452 C CE2  . TYR   A 1 99  ? -18.247 -11.599 -4.267  1   17.759  ? 111 TYR   B CE2  1 ? 
ATOM   1453 C CZ   . TYR   A 1 99  ? -17.218 -12.356 -3.75   1   16.985  ? 111 TYR   B CZ   1 ? 
ATOM   1454 O OH   . TYR   A 1 99  ? -17.493 -13.516 -3.073  1   19.153  ? 111 TYR   B OH   1 ? 
ATOM   1455 H H    . TYR   A 1 99  ? -14.146 -9.483  -7.18   1   15.119  ? 111 TYR   B H    1 c 
ATOM   1456 H HA   . TYR   A 1 99  ? -16.89  -9.585  -7.75   1   14.79   ? 111 TYR   B HA   1 c 
ATOM   1457 H HB2  . TYR   A 1 99  ? -15.561 -8.305  -5.559  1   14.747  ? 111 TYR   B HB2  1 c 
ATOM   1458 H HB3  . TYR   A 1 99  ? -17.12  -8.114  -5.839  1   14.789  ? 111 TYR   B HB3  1 c 
ATOM   1459 H HD1  . TYR   A 1 99  ? -14.745 -10.509 -4.752  1   15.125  ? 111 TYR   B HD1  1 c 
ATOM   1460 H HD2  . TYR   A 1 99  ? -18.668 -9.925  -5.298  1   15.604  ? 111 TYR   B HD2  1 c 
ATOM   1461 H HE1  . TYR   A 1 99  ? -15.204 -12.465 -3.595  1   15.559  ? 111 TYR   B HE1  1 c 
ATOM   1462 H HE2  . TYR   A 1 99  ? -19.141 -11.869 -4.146  1   17.008  ? 111 TYR   B HE2  1 c 
ATOM   1463 H HH   . TYR   A 1 99  ? -16.764 -13.888 -2.829  0   19.19   ? 111 TYR   B HH   1 c 
ATOM   1464 N N    . ALA   A 1 100 ? -15.13  -7.666  -9.177  1   15.549  ? 112 ALA   B N    1 ? 
ATOM   1465 C CA   . ALA   A 1 100 ? -14.961 -6.505  -10.034 1   16.15   ? 112 ALA   B CA   1 ? 
ATOM   1466 C C    . ALA   A 1 100 ? -14.745 -7.009  -11.461 1   15.839  ? 112 ALA   B C    1 ? 
ATOM   1467 O O    . ALA   A 1 100 ? -15.712 -7.494  -12.024 1   17.41   ? 112 ALA   B O    1 ? 
ATOM   1468 C CB   . ALA   A 1 100 ? -13.866 -5.583  -9.513  1   16.783  ? 112 ALA   B CB   1 ? 
ATOM   1469 H H    . ALA   A 1 100 ? -14.557 -8.369  -9.281  1   15.642  ? 112 ALA   B H    1 c 
ATOM   1470 H HA   . ALA   A 1 100 ? -15.818 -5.999  -10.028 1   16.139  ? 112 ALA   B HA   1 c 
ATOM   1471 H HB1  . ALA   A 1 100 ? -14.136 -5.204  -8.659  1   16.673  ? 112 ALA   B HB1  1 c 
ATOM   1472 H HB2  . ALA   A 1 100 ? -13.043 -6.086  -9.394  1   16.675  ? 112 ALA   B HB2  1 c 
ATOM   1473 H HB3  . ALA   A 1 100 ? -13.714 -4.863  -10.149 1   16.566  ? 112 ALA   B HB3  1 c 
ATOM   1474 N N    . TYR   A 1 101 ? -13.542 -6.885  -12.04  1   15.162  ? 113 TYR   B N    1 ? 
ATOM   1475 C CA   . TYR   A 1 101 ? -13.354 -7.213  -13.461 1   15.331  ? 113 TYR   B CA   1 ? 
ATOM   1476 C C    . TYR   A 1 101 ? -12.531 -8.472  -13.686 1   15.579  ? 113 TYR   B C    1 ? 
ATOM   1477 O O    . TYR   A 1 101 ? -12.237 -8.784  -14.837 1   16.148  ? 113 TYR   B O    1 ? 
ATOM   1478 C CB   . TYR   A 1 101 ? -12.763 -6      -14.163 1   16.024  ? 113 TYR   B CB   1 ? 
ATOM   1479 C CG   . TYR   A 1 101 ? -13.633 -4.771  -14.084 1   15.576  ? 113 TYR   B CG   1 ? 
ATOM   1480 C CD1  . TYR   A 1 101 ? -14.694 -4.62   -14.967 1   16.263  ? 113 TYR   B CD1  1 ? 
ATOM   1481 C CD2  . TYR   A 1 101 ? -13.452 -3.797  -13.119 1   16.194  ? 113 TYR   B CD2  1 ? 
ATOM   1482 C CE1  . TYR   A 1 101 ? -15.523 -3.53   -14.911 1   16.862  ? 113 TYR   B CE1  1 ? 
ATOM   1483 C CE2  . TYR   A 1 101 ? -14.294 -2.693  -13.051 1   16.554  ? 113 TYR   B CE2  1 ? 
ATOM   1484 C CZ   . TYR   A 1 101 ? -15.337 -2.56   -13.947 1   17.004  ? 113 TYR   B CZ   1 ? 
ATOM   1485 O OH   . TYR   A 1 101 ? -16.156 -1.471  -13.873 1   17.849  ? 113 TYR   B OH   1 ? 
ATOM   1486 H H    . TYR   A 1 101 ? -12.824 -6.597  -11.553 1   15.502  ? 113 TYR   B H    1 c 
ATOM   1487 H HA   . TYR   A 1 101 ? -14.252 -7.372  -13.855 1   15.387  ? 113 TYR   B HA   1 c 
ATOM   1488 H HB2  . TYR   A 1 101 ? -11.889 -5.799  -13.759 1   15.833  ? 113 TYR   B HB2  1 c 
ATOM   1489 H HB3  . TYR   A 1 101 ? -12.615 -6.225  -15.109 1   15.878  ? 113 TYR   B HB3  1 c 
ATOM   1490 H HD1  . TYR   A 1 101 ? -14.842 -5.277  -15.627 1   16.265  ? 113 TYR   B HD1  1 c 
ATOM   1491 H HD2  . TYR   A 1 101 ? -12.749 -3.883  -12.496 1   16.241  ? 113 TYR   B HD2  1 c 
ATOM   1492 H HE1  . TYR   A 1 101 ? -16.232 -3.448  -15.526 1   16.464  ? 113 TYR   B HE1  1 c 
ATOM   1493 H HE2  . TYR   A 1 101 ? -14.155 -2.034  -12.393 1   16.609  ? 113 TYR   B HE2  1 c 
ATOM   1494 H HH   . TYR   A 1 101 ? -16.746 -1.503  -14.493 0   17.97   ? 113 TYR   B HH   1 c 
ATOM   1495 N N    . GLY   A 1 102 ? -12.149 -9.189  -12.634 1   15.724  ? 114 GLY   B N    1 ? 
ATOM   1496 C CA   . GLY   A 1 102 ? -11.651 -10.525 -12.788 1   16.153  ? 114 GLY   B CA   1 ? 
ATOM   1497 C C    . GLY   A 1 102 ? -10.297 -10.596 -13.495 1   16.183  ? 114 GLY   B C    1 ? 
ATOM   1498 O O    . GLY   A 1 102 ? -9.532  -9.636  -13.575 1   15.936  ? 114 GLY   B O    1 ? 
ATOM   1499 H H    . GLY   A 1 102 ? -12.195 -8.829  -11.796 1   15.67   ? 114 GLY   B H    1 c 
ATOM   1500 H HA2  . GLY   A 1 102 ? -11.571 -10.936 -11.897 1   16.208  ? 114 GLY   B HA2  1 c 
ATOM   1501 H HA3  . GLY   A 1 102 ? -12.311 -11.05  -13.3   1   16.039  ? 114 GLY   B HA3  1 c 
ATOM   1502 N N    . SER   A 1 103 ? -10.005 -11.804 -13.972 1   16.239  ? 115 SER   B N    1 ? 
ATOM   1503 C CA   . SER   A 1 103 ? -8.74   -12.042 -14.658 1   16.745  ? 115 SER   B CA   1 ? 
ATOM   1504 C C    . SER   A 1 103 ? -8.732  -11.389 -16.04  1   15.984  ? 115 SER   B C    1 ? 
ATOM   1505 O O    . SER   A 1 103 ? -7.673  -11.045 -16.569 1   18.53   ? 115 SER   B O    1 ? 
ATOM   1506 C CB   . SER   A 1 103 ? -8.383  -13.51  -14.734 1   18.411  ? 115 SER   B CB   1 ? 
ATOM   1507 O OG   . SER   A 1 103 ? -9.41   -14.2   -15.408 1   21.448  ? 115 SER   B OG   1 ? 
ATOM   1508 H H    . SER   A 1 103 ? -10.597 -12.494 -13.872 1   16.321  ? 115 SER   B H    1 c 
ATOM   1509 H HA   . SER   A 1 103 ? -8.034  -11.599 -14.127 1   16.767  ? 115 SER   B HA   1 c 
ATOM   1510 H HB2  . SER   A 1 103 ? -7.541  -13.619 -15.216 1   18.395  ? 115 SER   B HB2  1 c 
ATOM   1511 H HB3  . SER   A 1 103 ? -8.279  -13.87  -13.833 1   18.604  ? 115 SER   B HB3  1 c 
ATOM   1512 H HG   . SER   A 1 103 ? -9.212  -15.023 -15.438 0   21.57   ? 115 SER   B HG   1 c 
ATOM   1513 N N    . ALA   A 1 104 ? -9.906  -11.232 -16.673 1   15.333  ? 116 ALA   B N    1 ? 
ATOM   1514 C CA   . ALA   A 1 104 ? -9.931  -10.578 -17.973 1   17.633  ? 116 ALA   B CA   1 ? 
ATOM   1515 C C    . ALA   A 1 104 ? -9.546  -9.112  -17.86  1   16.159  ? 116 ALA   B C    1 ? 
ATOM   1516 O O    . ALA   A 1 104 ? -9.015  -8.515  -18.81  1   18.055  ? 116 ALA   B O    1 ? 
ATOM   1517 C CB   . ALA   A 1 104 ? -11.293 -10.732 -18.629 1   19.674  ? 116 ALA   B CB   1 ? 
ATOM   1518 H H    . ALA   A 1 104 ? -10.684 -11.534 -16.302 1   15.808  ? 116 ALA   B H    1 c 
ATOM   1519 H HA   . ALA   A 1 104 ? -9.252  -11.025 -18.551 1   17.158  ? 116 ALA   B HA   1 c 
ATOM   1520 H HB1  . ALA   A 1 104 ? -11.481 -11.674 -18.776 1   19.195  ? 116 ALA   B HB1  1 c 
ATOM   1521 H HB2  . ALA   A 1 104 ? -11.978 -10.354 -18.052 1   19.452  ? 116 ALA   B HB2  1 c 
ATOM   1522 H HB3  . ALA   A 1 104 ? -11.3   -10.266 -19.481 1   19.362  ? 116 ALA   B HB3  1 c 
ATOM   1523 N N    . GLY   A 1 105 ? -9.914  -8.466  -16.74  1   15.429  ? 117 GLY   B N    1 ? 
ATOM   1524 C CA   . GLY   A 1 105 ? -9.798  -7.027  -16.669 1   16.078  ? 117 GLY   B CA   1 ? 
ATOM   1525 C C    . GLY   A 1 105 ? -10.813 -6.351  -17.592 1   16.545  ? 117 GLY   B C    1 ? 
ATOM   1526 O O    . GLY   A 1 105 ? -11.788 -6.934  -18.08  1   17.83   ? 117 GLY   B O    1 ? 
ATOM   1527 H H    . GLY   A 1 105 ? -10.242 -8.927  -16.022 1   15.673  ? 117 GLY   B H    1 c 
ATOM   1528 H HA2  . GLY   A 1 105 ? -9.951  -6.735  -15.739 1   15.938  ? 117 GLY   B HA2  1 c 
ATOM   1529 H HA3  . GLY   A 1 105 ? -8.885  -6.759  -16.926 1   16.077  ? 117 GLY   B HA3  1 c 
ATOM   1530 N N    . SER   A 1 106 ? -10.604 -5.043  -17.75  1   16.876  ? 118 SER   B N    1 ? 
ATOM   1531 C CA   . SER   A 1 106 ? -11.434 -4.238  -18.632 1   17.572  ? 118 SER   B CA   1 ? 
ATOM   1532 C C    . SER   A 1 106 ? -10.567 -3.093  -19.135 1   18.816  ? 118 SER   B C    1 ? 
ATOM   1533 O O    . SER   A 1 106 ? -10.694 -1.944  -18.708 1   20.465  ? 118 SER   B O    1 ? 
ATOM   1534 C CB   . SER   A 1 106 ? -12.666 -3.694  -17.931 1   18.588  ? 118 SER   B CB   1 ? 
ATOM   1535 O OG   . SER   A 1 106 ? -13.567 -3.168  -18.89  1   21.425  ? 118 SER   B OG   1 ? 
ATOM   1536 H H    . SER   A 1 106 ? -9.923  -4.64   -17.293 1   16.943  ? 118 SER   B H    1 c 
ATOM   1537 H HA   . SER   A 1 106 ? -11.716 -4.79   -19.405 1   17.785  ? 118 SER   B HA   1 c 
ATOM   1538 H HB2  . SER   A 1 106 ? -13.101 -4.411  -17.432 1   18.771  ? 118 SER   B HB2  1 c 
ATOM   1539 H HB3  . SER   A 1 106 ? -12.407 -2.993  -17.302 1   18.874  ? 118 SER   B HB3  1 c 
ATOM   1540 H HG   . SER   A 1 106 ? -14.244 -2.864  -18.475 0   21.45   ? 118 SER   B HG   1 c 
ATOM   1541 N N    . LEU   A 1 107 ? -9.651  -3.423  -20.058 1   18.92   ? 119 LEU   B N    1 ? 
ATOM   1542 C CA   . LEU   A 1 107 ? -8.695  -2.439  -20.559 1   19.625  ? 119 LEU   B CA   1 ? 
ATOM   1543 C C    . LEU   A 1 107 ? -9.42   -1.407  -21.425 1   22.501  ? 119 LEU   B C    1 ? 
ATOM   1544 O O    . LEU   A 1 107 ? -10.441 -1.71   -22.038 1   22.875  ? 119 LEU   B O    1 ? 
ATOM   1545 C CB   . LEU   A 1 107 ? -7.592  -3.122  -21.364 1   21.787  ? 119 LEU   B CB   1 ? 
ATOM   1546 C CG   . LEU   A 1 107 ? -6.567  -3.869  -20.51  1   21.972  ? 119 LEU   B CG   1 ? 
ATOM   1547 C CD1  . LEU   A 1 107 ? -5.627  -4.539  -21.465 1   23.528  ? 119 LEU   B CD1  1 ? 
ATOM   1548 C CD2  . LEU   A 1 107 ? -5.801  -2.98   -19.531 1   24.072  ? 119 LEU   B CD2  1 ? 
ATOM   1549 H H    . LEU   A 1 107 ? -9.621  -4.278  -20.381 1   19.207  ? 119 LEU   B H    1 c 
ATOM   1550 H HA   . LEU   A 1 107 ? -8.295  -1.979  -19.782 1   20.11   ? 119 LEU   B HA   1 c 
ATOM   1551 H HB2  . LEU   A 1 107 ? -8.012  -3.763  -21.983 1   21.584  ? 119 LEU   B HB2  1 c 
ATOM   1552 H HB3  . LEU   A 1 107 ? -7.122  -2.439  -21.896 1   21.527  ? 119 LEU   B HB3  1 c 
ATOM   1553 H HG   . LEU   A 1 107 ? -7.041  -4.57   -19.993 1   22.135  ? 119 LEU   B HG   1 c 
ATOM   1554 H HD11 . LEU   A 1 107 ? -6.123  -5.155  -22.03  1   23.043  ? 119 LEU   B HD11 1 c 
ATOM   1555 H HD12 . LEU   A 1 107 ? -4.952  -5.029  -20.967 1   23.19   ? 119 LEU   B HD12 1 c 
ATOM   1556 H HD13 . LEU   A 1 107 ? -5.195  -3.868  -22.02  1   23.259  ? 119 LEU   B HD13 1 c 
ATOM   1557 H HD21 . LEU   A 1 107 ? -6.417  -2.602  -18.881 1   23.486  ? 119 LEU   B HD21 1 c 
ATOM   1558 H HD22 . LEU   A 1 107 ? -5.364  -2.261  -20.018 1   23.785  ? 119 LEU   B HD22 1 c 
ATOM   1559 H HD23 . LEU   A 1 107 ? -5.131  -3.51   -19.068 1   23.565  ? 119 LEU   B HD23 1 c 
ATOM   1560 N N    . PRO   A 1 108 ? -8.914  -0.168  -21.532 1   23.902  ? 120 PRO   B N    1 ? 
ATOM   1561 C CA   . PRO   A 1 108 ? -7.652  0.238   -20.915 1   24.496  ? 120 PRO   B CA   1 ? 
ATOM   1562 C C    . PRO   A 1 108 ? -7.731  0.655   -19.444 1   24.182  ? 120 PRO   B C    1 ? 
ATOM   1563 O O    . PRO   A 1 108 ? -6.687  0.799   -18.833 1   27.36   ? 120 PRO   B O    1 ? 
ATOM   1564 C CB   . PRO   A 1 108 ? -7.231  1.422   -21.782 1   26.737  ? 120 PRO   B CB   1 ? 
ATOM   1565 C CG   . PRO   A 1 108 ? -8.557  2.007   -22.208 1   27.241  ? 120 PRO   B CG   1 ? 
ATOM   1566 C CD   . PRO   A 1 108 ? -9.475  0.847   -22.425 1   25.155  ? 120 PRO   B CD   1 ? 
ATOM   1567 H HA   . PRO   A 1 108 ? -6.993  -0.477  -21.013 1   24.718  ? 120 PRO   B HA   1 c 
ATOM   1568 H HB2  . PRO   A 1 108 ? -6.708  2.068   -21.269 1   26.407  ? 120 PRO   B HB2  1 c 
ATOM   1569 H HB3  . PRO   A 1 108 ? -6.713  1.125   -22.555 1   26.17   ? 120 PRO   B HB3  1 c 
ATOM   1570 H HG2  . PRO   A 1 108 ? -8.912  2.597   -21.514 1   26.876  ? 120 PRO   B HG2  1 c 
ATOM   1571 H HG3  . PRO   A 1 108 ? -8.457  2.521   -23.034 1   26.784  ? 120 PRO   B HG3  1 c 
ATOM   1572 H HD2  . PRO   A 1 108 ? -10.393 1.065   -22.172 1   25.307  ? 120 PRO   B HD2  1 c 
ATOM   1573 H HD3  . PRO   A 1 108 ? -9.456  0.544   -23.354 1   25.28   ? 120 PRO   B HD3  1 c 
ATOM   1574 N N    . LYS   A 1 109 ? -8.927  0.875   -18.887 1   24.269  ? 121 LYS   B N    1 ? 
ATOM   1575 C CA   . LYS   A 1 109 ? -8.999  1.45    -17.549 1   24.468  ? 121 LYS   B CA   1 ? 
ATOM   1576 C C    . LYS   A 1 109 ? -8.59   0.434   -16.474 1   24.079  ? 121 LYS   B C    1 ? 
ATOM   1577 O O    . LYS   A 1 109 ? -7.994  0.826   -15.478 1   27.231  ? 121 LYS   B O    1 ? 
ATOM   1578 C CB   . LYS   A 1 109 ? -10.436 1.863   -17.22  1   27.309  ? 121 LYS   B CB   1 ? 
ATOM   1579 H H    . LYS   A 1 109 ? -9.697  0.667   -19.333 1   24.311  ? 121 LYS   B H    1 c 
ATOM   1580 H HA   . LYS   A 1 109 ? -8.4    2.239   -17.503 1   24.738  ? 121 LYS   B HA   1 c 
ATOM   1581 H HB2  . LYS   A 1 109 ? -10.415 2.655   -16.643 0   27.12   ? 121 LYS   B HB2  1 c 
ATOM   1582 H HB3  . LYS   A 1 109 ? -11.049 1.258   -17.692 0   27.12   ? 121 LYS   B HB3  1 c 
ATOM   1583 N N    . ILE   A 1 110 ? -8.965  -0.84   -16.625 1   21.52   ? 122 ILE   B N    1 ? 
ATOM   1584 C CA   . ILE   A 1 110 ? -8.783  -1.804  -15.557 1   20.095  ? 122 ILE   B CA   1 ? 
ATOM   1585 C C    . ILE   A 1 110 ? -7.9    -2.954  -16.018 1   19.406  ? 122 ILE   B C    1 ? 
ATOM   1586 O O    . ILE   A 1 110 ? -8.286  -3.707  -16.892 1   19.889  ? 122 ILE   B O    1 ? 
ATOM   1587 C CB   . ILE   A 1 110 ? -10.133 -2.356  -15.062 1   20.037  ? 122 ILE   B CB   1 ? 
ATOM   1588 C CG1  . ILE   A 1 110 ? -11.215 -1.248  -14.877 1   23.179  ? 122 ILE   B CG1  1 ? 
ATOM   1589 C CG2  . ILE   A 1 110 ? -9.865  -3.172  -13.81  1   18.11   ? 122 ILE   B CG2  1 ? 
ATOM   1590 C CD1  . ILE   A 1 110 ? -10.943 -0.289  -13.765 1   27.958  ? 122 ILE   B CD1  1 ? 
ATOM   1591 H H    . ILE   A 1 110 ? -9.343  -1.114  -17.41  1   21.835  ? 122 ILE   B H    1 c 
ATOM   1592 H HA   . ILE   A 1 110 ? -8.347  -1.356  -14.809 1   20.088  ? 122 ILE   B HA   1 c 
ATOM   1593 H HB   . ILE   A 1 110 ? -10.465 -2.97   -15.745 1   20.035  ? 122 ILE   B HB   1 c 
ATOM   1594 H HG12 . ILE   A 1 110 ? -11.294 -0.744  -15.712 1   23.085  ? 122 ILE   B HG12 1 c 
ATOM   1595 H HG13 . ILE   A 1 110 ? -12.077 -1.681  -14.71  1   23.019  ? 122 ILE   B HG13 1 c 
ATOM   1596 H HG21 . ILE   A 1 110 ? -10.706 -3.485  -13.44  1   18.343  ? 122 ILE   B HG21 1 c 
ATOM   1597 H HG22 . ILE   A 1 110 ? -9.41   -2.62   -13.151 1   18.646  ? 122 ILE   B HG22 1 c 
ATOM   1598 H HG23 . ILE   A 1 110 ? -9.308  -3.936  -14.029 1   18.441  ? 122 ILE   B HG23 1 c 
ATOM   1599 H HD11 . ILE   A 1 110 ? -10.923 -0.766  -12.914 1   26.747  ? 122 ILE   B HD11 1 c 
ATOM   1600 H HD12 . ILE   A 1 110 ? -11.649 0.382   -13.743 1   26.415  ? 122 ILE   B HD12 1 c 
ATOM   1601 H HD13 . ILE   A 1 110 ? -10.083 0.149   -13.911 1   26.711  ? 122 ILE   B HD13 1 c 
ATOM   1602 N N    . PRO   A 1 111 ? -6.726  -3.181  -15.415 1   18.701  ? 123 PRO   B N    1 ? 
ATOM   1603 C CA   . PRO   A 1 111 ? -5.911  -4.337  -15.772 1   19.78   ? 123 PRO   B CA   1 ? 
ATOM   1604 C C    . PRO   A 1 111 ? -6.471  -5.635  -15.207 1   18.107  ? 123 PRO   B C    1 ? 
ATOM   1605 O O    . PRO   A 1 111 ? -7.35   -5.611  -14.334 1   17.929  ? 123 PRO   B O    1 ? 
ATOM   1606 C CB   . PRO   A 1 111 ? -4.563  -4.02   -15.169 1   23.226  ? 123 PRO   B CB   1 ? 
ATOM   1607 C CG   . PRO   A 1 111 ? -4.855  -3.063  -14.039 1   24.935  ? 123 PRO   B CG   1 ? 
ATOM   1608 C CD   . PRO   A 1 111 ? -6.125  -2.364  -14.344 1   20.704  ? 123 PRO   B CD   1 ? 
ATOM   1609 H HA   . PRO   A 1 111 ? -5.835  -4.403  -16.747 1   19.457  ? 123 PRO   B HA   1 c 
ATOM   1610 H HB2  . PRO   A 1 111 ? -4.132  -4.829  -14.835 1   22.656  ? 123 PRO   B HB2  1 c 
ATOM   1611 H HB3  . PRO   A 1 111 ? -3.977  -3.604  -15.831 1   22.631  ? 123 PRO   B HB3  1 c 
ATOM   1612 H HG2  . PRO   A 1 111 ? -4.936  -3.551  -13.195 1   23.926  ? 123 PRO   B HG2  1 c 
ATOM   1613 H HG3  . PRO   A 1 111 ? -4.129  -2.414  -13.948 1   23.607  ? 123 PRO   B HG3  1 c 
ATOM   1614 H HD2  . PRO   A 1 111 ? -6.709  -2.337  -13.562 1   20.857  ? 123 PRO   B HD2  1 c 
ATOM   1615 H HD3  . PRO   A 1 111 ? -5.962  -1.453  -14.656 1   20.75   ? 123 PRO   B HD3  1 c 
ATOM   1616 N N    . SER   A 1 112 ? -5.88   -6.747  -15.645 1   17.748  ? 124 SER   B N    1 ? 
ATOM   1617 C CA   . SER   A 1 112 ? -6.195  -8.056  -15.108 1   17.476  ? 124 SER   B CA   1 ? 
ATOM   1618 C C    . SER   A 1 112 ? -5.967  -8.09   -13.603 1   17.736  ? 124 SER   B C    1 ? 
ATOM   1619 O O    . SER   A 1 112 ? -4.959  -7.588  -13.13  1   18.06   ? 124 SER   B O    1 ? 
ATOM   1620 C CB   . SER   A 1 112 ? -5.32   -9.087  -15.803 1   17.626  ? 124 SER   B CB   1 ? 
ATOM   1621 O OG   . SER   A 1 112 ? -5.516  -10.4   -15.318 1   17.545  ? 124 SER   B OG   1 ? 
ATOM   1622 H H    . SER   A 1 112 ? -5.253  -6.685  -16.308 1   17.765  ? 124 SER   B H    1 c 
ATOM   1623 H HA   . SER   A 1 112 ? -7.147  -8.257  -15.297 1   17.667  ? 124 SER   B HA   1 c 
ATOM   1624 H HB2  . SER   A 1 112 ? -5.512  -9.069  -16.759 1   17.628  ? 124 SER   B HB2  1 c 
ATOM   1625 H HB3  . SER   A 1 112 ? -4.383  -8.839  -15.685 1   17.574  ? 124 SER   B HB3  1 c 
ATOM   1626 H HG   . SER   A 1 112 ? -5.017  -10.923 -15.745 0   17.8    ? 124 SER   B HG   1 c 
ATOM   1627 N N    . ASN   A 1 113 ? -6.855  -8.789  -12.913 1   16.706  ? 125 ASN   B N    1 ? 
ATOM   1628 C CA   . ASN   A 1 113 ? -6.657  -9.076  -11.494 1   16.825  ? 125 ASN   B CA   1 ? 
ATOM   1629 C C    . ASN   A 1 113 ? -6.46   -7.821  -10.636 1   17.902  ? 125 ASN   B C    1 ? 
ATOM   1630 O O    . ASN   A 1 113 ? -5.673  -7.84   -9.678  1   20.826  ? 125 ASN   B O    1 ? 
ATOM   1631 C CB   . ASN   A 1 113 ? -5.503  -10.062 -11.288 1   18.516  ? 125 ASN   B CB   1 ? 
ATOM   1632 C CG   . ASN   A 1 113 ? -5.882  -11.396 -11.871 1   23.26   ? 125 ASN   B CG   1 ? 
ATOM   1633 O OD1  . ASN   A 1 113 ? -7.083  -11.74  -11.908 1   23.922  ? 125 ASN   B OD1  1 ? 
ATOM   1634 N ND2  . ASN   A 1 113 ? -4.871  -12.176 -12.227 1   26.178  ? 125 ASN   B ND2  1 ? 
ATOM   1635 H H    . ASN   A 1 113 ? -7.609  -9.101  -13.326 1   16.97   ? 125 ASN   B H    1 c 
ATOM   1636 H HA   . ASN   A 1 113 ? -7.473  -9.519  -11.17  1   17.229  ? 125 ASN   B HA   1 c 
ATOM   1637 H HB2  . ASN   A 1 113 ? -4.696  -9.727  -11.726 1   18.813  ? 125 ASN   B HB2  1 c 
ATOM   1638 H HB3  . ASN   A 1 113 ? -5.32   -10.163 -10.334 1   18.53   ? 125 ASN   B HB3  1 c 
ATOM   1639 H HD21 . ASN   A 1 113 ? -5.034  -12.956 -12.618 1   25.366  ? 125 ASN   B HD21 1 c 
ATOM   1640 H HD22 . ASN   A 1 113 ? -4.035  -11.922 -12.075 1   25.476  ? 125 ASN   B HD22 1 c 
ATOM   1641 N N    . ALA   A 1 114 ? -7.216  -6.788  -10.918 1   16.621  ? 126 ALA   B N    1 ? 
ATOM   1642 C CA   . ALA   A 1 114 ? -7.135  -5.523  -10.207 1   17.526  ? 126 ALA   B CA   1 ? 
ATOM   1643 C C    . ALA   A 1 114 ? -8.01   -5.532  -8.953  1   16.282  ? 126 ALA   B C    1 ? 
ATOM   1644 O O    . ALA   A 1 114 ? -9.162  -5.895  -8.989  1   17.064  ? 126 ALA   B O    1 ? 
ATOM   1645 C CB   . ALA   A 1 114 ? -7.534  -4.372  -11.131 1   17.889  ? 126 ALA   B CB   1 ? 
ATOM   1646 H H    . ALA   A 1 114 ? -7.831  -6.865  -11.591 1   16.818  ? 126 ALA   B H    1 c 
ATOM   1647 H HA   . ALA   A 1 114 ? -6.188  -5.39   -9.925  1   17.324  ? 126 ALA   B HA   1 c 
ATOM   1648 H HB1  . ALA   A 1 114 ? -6.94   -4.349  -11.9   1   17.847  ? 126 ALA   B HB1  1 c 
ATOM   1649 H HB2  . ALA   A 1 114 ? -8.449  -4.5    -11.436 1   17.862  ? 126 ALA   B HB2  1 c 
ATOM   1650 H HB3  . ALA   A 1 114 ? -7.471  -3.53   -10.651 1   17.823  ? 126 ALA   B HB3  1 c 
ATOM   1651 N N    . THR   A 1 115 ? -7.431  -4.979  -7.892  1   15.859  ? 127 THR   B N    1 ? 
ATOM   1652 C CA   . THR   A 1 115 ? -8.177  -4.59   -6.692  1   15.782  ? 127 THR   B CA   1 ? 
ATOM   1653 C C    . THR   A 1 115 ? -8.593  -3.125  -6.823  1   16.005  ? 127 THR   B C    1 ? 
ATOM   1654 O O    . THR   A 1 115 ? -7.796  -2.261  -7.209  1   17.279  ? 127 THR   B O    1 ? 
ATOM   1655 C CB   . THR   A 1 115 ? -7.308  -4.832  -5.456  1   16.725  ? 127 THR   B CB   1 ? 
ATOM   1656 O OG1  . THR   A 1 115 ? -7.109  -6.254  -5.381  1   18.896  ? 127 THR   B OG1  1 ? 
ATOM   1657 C CG2  . THR   A 1 115 ? -7.97   -4.386  -4.164  1   16.761  ? 127 THR   B CG2  1 ? 
ATOM   1658 H H    . THR   A 1 115 ? -6.528  -4.836  -7.905  1   15.987  ? 127 THR   B H    1 c 
ATOM   1659 H HA   . THR   A 1 115 ? -8.979  -5.148  -6.628  1   16.003  ? 127 THR   B HA   1 c 
ATOM   1660 H HB   . THR   A 1 115 ? -6.436  -4.38   -5.559  1   16.88   ? 127 THR   B HB   1 c 
ATOM   1661 H HG1  . THR   A 1 115 ? -7.883  -6.654  -5.306  0   19.16   ? 127 THR   B HG1  1 c 
ATOM   1662 H HG21 . THR   A 1 115 ? -7.389  -4.596  -3.413  1   16.74   ? 127 THR   B HG21 1 c 
ATOM   1663 H HG22 . THR   A 1 115 ? -8.816  -4.85   -4.055  1   16.748  ? 127 THR   B HG22 1 c 
ATOM   1664 H HG23 . THR   A 1 115 ? -8.128  -3.428  -4.191  1   16.799  ? 127 THR   B HG23 1 c 
ATOM   1665 N N    . LEU   A 1 116 ? -9.847  -2.836  -6.467  1   15.08   ? 128 LEU   B N    1 ? 
ATOM   1666 C CA   . LEU   A 1 116 ? -10.434 -1.513  -6.612  1   15.094  ? 128 LEU   B CA   1 ? 
ATOM   1667 C C    . LEU   A 1 116 ? -10.791 -0.93   -5.252  1   15.172  ? 128 LEU   B C    1 ? 
ATOM   1668 O O    . LEU   A 1 116 ? -11.203 -1.669  -4.363  1   15.776  ? 128 LEU   B O    1 ? 
ATOM   1669 C CB   . LEU   A 1 116 ? -11.676 -1.504  -7.512  1   16.074  ? 128 LEU   B CB   1 ? 
ATOM   1670 C CG   . LEU   A 1 116 ? -11.588 -2.16   -8.9    1   19.915  ? 128 LEU   B CG   1 ? 
ATOM   1671 C CD1  . LEU   A 1 116 ? -12.871 -1.929  -9.665  1   20.605  ? 128 LEU   B CD1  1 ? 
ATOM   1672 C CD2  . LEU   A 1 116 ? -10.397 -1.736  -9.626  1   21.108  ? 128 LEU   B CD2  1 ? 
ATOM   1673 H H    . LEU   A 1 116 ? -10.365 -3.5    -6.111  1   15.226  ? 128 LEU   B H    1 c 
ATOM   1674 H HA   . LEU   A 1 116 ? -9.75   -0.924  -7.019  1   15.231  ? 128 LEU   B HA   1 c 
ATOM   1675 H HB2  . LEU   A 1 116 ? -12.409 -1.939  -7.018  1   16.375  ? 128 LEU   B HB2  1 c 
ATOM   1676 H HB3  . LEU   A 1 116 ? -11.949 -0.566  -7.638  1   16.266  ? 128 LEU   B HB3  1 c 
ATOM   1677 H HG   . LEU   A 1 116 ? -11.507 -3.139  -8.761  1   19.518  ? 128 LEU   B HG   1 c 
ATOM   1678 H HD11 . LEU   A 1 116 ? -13.617 -2.306  -9.169  1   20.596  ? 128 LEU   B HD11 1 c 
ATOM   1679 H HD12 . LEU   A 1 116 ? -12.812 -2.358  -10.535 1   20.397  ? 128 LEU   B HD12 1 c 
ATOM   1680 H HD13 . LEU   A 1 116 ? -13.012 -0.975  -9.784  1   20.528  ? 128 LEU   B HD13 1 c 
ATOM   1681 H HD21 . LEU   A 1 116 ? -9.602  -2.029  -9.152  1   20.605  ? 128 LEU   B HD21 1 c 
ATOM   1682 H HD22 . LEU   A 1 116 ? -10.391 -0.767  -9.701  1   20.906  ? 128 LEU   B HD22 1 c 
ATOM   1683 H HD23 . LEU   A 1 116 ? -10.403 -2.127  -10.516 1   20.799  ? 128 LEU   B HD23 1 c 
ATOM   1684 N N    . PHE   A 1 117 ? -10.73  0.392   -5.147  1   14.493  ? 129 PHE   B N    1 ? 
ATOM   1685 C CA   . PHE   A 1 117 ? -11.168 1.14    -3.966  1   14.823  ? 129 PHE   B CA   1 ? 
ATOM   1686 C C    . PHE   A 1 117 ? -12.203 2.164   -4.391  1   14.847  ? 129 PHE   B C    1 ? 
ATOM   1687 O O    . PHE   A 1 117 ? -12.031 2.866   -5.402  1   16.792  ? 129 PHE   B O    1 ? 
ATOM   1688 C CB   . PHE   A 1 117 ? -9.986  1.854   -3.322  1   15.879  ? 129 PHE   B CB   1 ? 
ATOM   1689 C CG   . PHE   A 1 117 ? -10.399 2.807   -2.215  1   17.827  ? 129 PHE   B CG   1 ? 
ATOM   1690 C CD1  . PHE   A 1 117 ? -10.553 2.345   -0.92   1   17.617  ? 129 PHE   B CD1  1 ? 
ATOM   1691 C CD2  . PHE   A 1 117 ? -10.668 4.136   -2.484  1   19.282  ? 129 PHE   B CD2  1 ? 
ATOM   1692 C CE1  . PHE   A 1 117 ? -10.914 3.213   0.104   1   17.821  ? 129 PHE   B CE1  1 ? 
ATOM   1693 C CE2  . PHE   A 1 117 ? -11.087 4.971   -1.475  1   19.584  ? 129 PHE   B CE2  1 ? 
ATOM   1694 C CZ   . PHE   A 1 117 ? -11.2   4.515   -0.187  1   19.683  ? 129 PHE   B CZ   1 ? 
ATOM   1695 H H    . PHE   A 1 117 ? -10.396 0.866   -5.853  1   14.521  ? 129 PHE   B H    1 c 
ATOM   1696 H HA   . PHE   A 1 117 ? -11.569 0.514   -3.311  1   14.924  ? 129 PHE   B HA   1 c 
ATOM   1697 H HB2  . PHE   A 1 117 ? -9.374  1.179   -2.952  1   15.988  ? 129 PHE   B HB2  1 c 
ATOM   1698 H HB3  . PHE   A 1 117 ? -9.505  2.357   -4.016  1   16.028  ? 129 PHE   B HB3  1 c 
ATOM   1699 H HD1  . PHE   A 1 117 ? -10.354 1.444   -0.721  1   17.749  ? 129 PHE   B HD1  1 c 
ATOM   1700 H HD2  . PHE   A 1 117 ? -10.601 4.459   -3.368  1   18.998  ? 129 PHE   B HD2  1 c 
ATOM   1701 H HE1  . PHE   A 1 117 ? -11.013 2.891   0.986   1   17.942  ? 129 PHE   B HE1  1 c 
ATOM   1702 H HE2  . PHE   A 1 117 ? -11.258 5.877   -1.665  1   19.234  ? 129 PHE   B HE2  1 c 
ATOM   1703 H HZ   . PHE   A 1 117 ? -11.464 5.105   0.501   1   19.081  ? 129 PHE   B HZ   1 c 
ATOM   1704 N N    . PHE   A 1 118 ? -13.285 2.272   -3.616  1   15.425  ? 130 PHE   B N    1 ? 
ATOM   1705 C CA   . PHE   A 1 118 ? -14.283 3.311   -3.856  1   14.552  ? 130 PHE   B CA   1 ? 
ATOM   1706 C C    . PHE   A 1 118 ? -14.661 3.987   -2.549  1   16.1    ? 130 PHE   B C    1 ? 
ATOM   1707 O O    . PHE   A 1 118 ? -14.778 3.308   -1.514  1   16.676  ? 130 PHE   B O    1 ? 
ATOM   1708 C CB   . PHE   A 1 118 ? -15.61  2.797   -4.444  1   16.023  ? 130 PHE   B CB   1 ? 
ATOM   1709 C CG   . PHE   A 1 118 ? -15.471 2.27    -5.852  1   15.263  ? 130 PHE   B CG   1 ? 
ATOM   1710 C CD1  . PHE   A 1 118 ? -15.088 0.946   -6.071  1   15.11   ? 130 PHE   B CD1  1 ? 
ATOM   1711 C CD2  . PHE   A 1 118 ? -15.774 3.065   -6.95   1   16.207  ? 130 PHE   B CD2  1 ? 
ATOM   1712 C CE1  . PHE   A 1 118 ? -15.012 0.462   -7.359  1   15.427  ? 130 PHE   B CE1  1 ? 
ATOM   1713 C CE2  . PHE   A 1 118 ? -15.685 2.561   -8.24   1   18.087  ? 130 PHE   B CE2  1 ? 
ATOM   1714 C CZ   . PHE   A 1 118 ? -15.323 1.268   -8.441  1   18.064  ? 130 PHE   B CZ   1 ? 
ATOM   1715 H H    . PHE   A 1 118 ? -13.408 1.69    -2.922  1   15.185  ? 130 PHE   B H    1 c 
ATOM   1716 H HA   . PHE   A 1 118 ? -13.902 3.988   -4.47   1   15.03   ? 130 PHE   B HA   1 c 
ATOM   1717 H HB2  . PHE   A 1 118 ? -15.954 2.081   -3.866  1   15.678  ? 130 PHE   B HB2  1 c 
ATOM   1718 H HB3  . PHE   A 1 118 ? -16.262 3.533   -4.441  1   15.62   ? 130 PHE   B HB3  1 c 
ATOM   1719 H HD1  . PHE   A 1 118 ? -14.895 0.383   -5.338  1   15.171  ? 130 PHE   B HD1  1 c 
ATOM   1720 H HD2  . PHE   A 1 118 ? -16.047 3.958   -6.815  1   16.212  ? 130 PHE   B HD2  1 c 
ATOM   1721 H HE1  . PHE   A 1 118 ? -14.746 -0.432  -7.504  1   15.735  ? 130 PHE   B HE1  1 c 
ATOM   1722 H HE2  . PHE   A 1 118 ? -15.889 3.114   -8.977  1   17.903  ? 130 PHE   B HE2  1 c 
ATOM   1723 H HZ   . PHE   A 1 118 ? -15.244 0.93    -9.319  1   17.513  ? 130 PHE   B HZ   1 c 
ATOM   1724 N N    . GLU   A 1 119 ? -14.896 5.287   -2.624  1   16.328  ? 131 GLU   B N    1 ? 
ATOM   1725 C CA   . GLU   A 1 119 ? -15.699 5.986   -1.64   1   16.974  ? 131 GLU   B CA   1 ? 
ATOM   1726 C C    . GLU   A 1 119 ? -17.036 6.277   -2.293  1   16.575  ? 131 GLU   B C    1 ? 
ATOM   1727 O O    . GLU   A 1 119 ? -17.056 6.819   -3.401  1   19.324  ? 131 GLU   B O    1 ? 
ATOM   1728 C CB   . GLU   A 1 119 ? -15.018 7.281   -1.208  1   18.388  ? 131 GLU   B CB   1 ? 
ATOM   1729 C CG   . GLU   A 1 119 ? -15.849 8.088   -0.213  1   19.754  ? 131 GLU   B CG   1 ? 
ATOM   1730 C CD   . GLU   A 1 119 ? -15.142 9.305   0.332   1   19.815  ? 131 GLU   B CD   1 ? 
ATOM   1731 O OE1  . GLU   A 1 119 ? -14.257 9.179   1.188   1   23.834  ? 131 GLU   B OE1  1 ? 
ATOM   1732 O OE2  . GLU   A 1 119 ? -15.428 10.396  -0.224  1   24.863  ? 131 GLU   B OE2  1 ? 
ATOM   1733 H H    . GLU   A 1 119 ? -14.539 5.766   -3.316  1   16.4    ? 131 GLU   B H    1 c 
ATOM   1734 H HA   . GLU   A 1 119 ? -15.832 5.399   -0.856  1   16.959  ? 131 GLU   B HA   1 c 
ATOM   1735 H HB2  . GLU   A 1 119 ? -14.153 7.064   -0.801  1   18.377  ? 131 GLU   B HB2  1 c 
ATOM   1736 H HB3  . GLU   A 1 119 ? -14.847 7.829   -2.002  1   18.377  ? 131 GLU   B HB3  1 c 
ATOM   1737 H HG2  . GLU   A 1 119 ? -16.677 8.38    -0.649  1   19.473  ? 131 GLU   B HG2  1 c 
ATOM   1738 H HG3  . GLU   A 1 119 ? -16.098 7.509   0.539   1   19.453  ? 131 GLU   B HG3  1 c 
ATOM   1739 N N    . ILE   A 1 120 ? -18.129 5.877   -1.653  1   17.006  ? 132 ILE   B N    1 ? 
ATOM   1740 C CA   . ILE   A 1 120 ? -19.477 6.008   -2.181  1   17.464  ? 132 ILE   B CA   1 ? 
ATOM   1741 C C    . ILE   A 1 120 ? -20.309 6.802   -1.189  1   18.761  ? 132 ILE   B C    1 ? 
ATOM   1742 O O    . ILE   A 1 120 ? -20.358 6.454   0.002   1   18.227  ? 132 ILE   B O    1 ? 
ATOM   1743 C CB   . ILE   A 1 120 ? -20.121 4.64    -2.47   1   16.778  ? 132 ILE   B CB   1 ? 
ATOM   1744 C CG1  . ILE   A 1 120 ? -19.254 3.828   -3.409  1   16.35   ? 132 ILE   B CG1  1 ? 
ATOM   1745 C CG2  . ILE   A 1 120 ? -21.52  4.859   -3.063  1   18.367  ? 132 ILE   B CG2  1 ? 
ATOM   1746 C CD1  . ILE   A 1 120 ? -19.729 2.402   -3.601  1   17.577  ? 132 ILE   B CD1  1 ? 
ATOM   1747 H H    . ILE   A 1 120 ? -18.029 5.498   -0.827  1   17.088  ? 132 ILE   B H    1 c 
ATOM   1748 H HA   . ILE   A 1 120 ? -19.434 6.507   -3.019  1   17.475  ? 132 ILE   B HA   1 c 
ATOM   1749 H HB   . ILE   A 1 120 ? -20.21  4.153   -1.627  1   16.942  ? 132 ILE   B HB   1 c 
ATOM   1750 H HG12 . ILE   A 1 120 ? -19.231 4.273   -4.281  1   16.656  ? 132 ILE   B HG12 1 c 
ATOM   1751 H HG13 . ILE   A 1 120 ? -18.34  3.809   -3.059  1   16.497  ? 132 ILE   B HG13 1 c 
ATOM   1752 H HG21 . ILE   A 1 120 ? -21.933 4.001   -3.253  1   17.939  ? 132 ILE   B HG21 1 c 
ATOM   1753 H HG22 . ILE   A 1 120 ? -21.448 5.371   -3.886  1   18.082  ? 132 ILE   B HG22 1 c 
ATOM   1754 H HG23 . ILE   A 1 120 ? -22.073 5.346   -2.429  1   18.016  ? 132 ILE   B HG23 1 c 
ATOM   1755 H HD11 . ILE   A 1 120 ? -19.79  1.959   -2.733  1   17.233  ? 132 ILE   B HD11 1 c 
ATOM   1756 H HD12 . ILE   A 1 120 ? -19.092 1.923   -4.164  1   17.21   ? 132 ILE   B HD12 1 c 
ATOM   1757 H HD13 . ILE   A 1 120 ? -20.605 2.396   -4.03   1   17.417  ? 132 ILE   B HD13 1 c 
ATOM   1758 N N    . GLU   A 1 121 ? -21.015 7.825   -1.698  1   18.644  ? 133 GLU   B N    1 ? 
ATOM   1759 C CA   . GLU   A 1 121 ? -22.082 8.457   -0.936  1   19.603  ? 133 GLU   B CA   1 ? 
ATOM   1760 C C    . GLU   A 1 121 ? -23.426 8.107   -1.561  1   21.32   ? 133 GLU   B C    1 ? 
ATOM   1761 O O    . GLU   A 1 121 ? -23.658 8.362   -2.74   1   22.502  ? 133 GLU   B O    1 ? 
ATOM   1762 C CB   . GLU   A 1 121 ? -21.891 9.978   -0.904  1   21.177  ? 133 GLU   B CB   1 ? 
ATOM   1763 C CG   . GLU   A 1 121 ? -22.993 10.646  -0.11   1   22.274  ? 133 GLU   B CG   1 ? 
ATOM   1764 C CD   . GLU   A 1 121 ? -22.897 12.129  0.167   1   24.618  ? 133 GLU   B CD   1 ? 
ATOM   1765 O OE1  . GLU   A 1 121 ? -21.796 12.715  -0.09   1   27.312  ? 133 GLU   B OE1  1 ? 
ATOM   1766 O OE2  . GLU   A 1 121 ? -23.921 12.7    0.648   1   27.678  ? 133 GLU   B OE2  1 ? 
ATOM   1767 H H    . GLU   A 1 121 ? -20.825 8.136   -2.536  1   18.785  ? 133 GLU   B H    1 c 
ATOM   1768 H HA   . GLU   A 1 121 ? -22.057 8.114   -0.01   1   19.977  ? 133 GLU   B HA   1 c 
ATOM   1769 H HB2  . GLU   A 1 121 ? -21.02  10.183  -0.505  1   21.125  ? 133 GLU   B HB2  1 c 
ATOM   1770 H HB3  . GLU   A 1 121 ? -21.89  10.32   -1.822  1   20.946  ? 133 GLU   B HB3  1 c 
ATOM   1771 H HG2  . GLU   A 1 121 ? -23.842 10.491  -0.575  1   22.444  ? 133 GLU   B HG2  1 c 
ATOM   1772 H HG3  . GLU   A 1 121 ? -23.065 10.188  0.755   1   22.42   ? 133 GLU   B HG3  1 c 
ATOM   1773 N N    . LEU   A 1 122 ? -24.29  7.479   -0.768  1   20.088  ? 134 LEU   B N    1 ? 
ATOM   1774 C CA   . LEU   A 1 122 ? -25.632 7.161   -1.244  1   22.289  ? 134 LEU   B CA   1 ? 
ATOM   1775 C C    . LEU   A 1 122 ? -26.525 8.39    -1.096  1   22.76   ? 134 LEU   B C    1 ? 
ATOM   1776 O O    . LEU   A 1 122 ? -26.844 8.815   0.03    1   26.529  ? 134 LEU   B O    1 ? 
ATOM   1777 C CB   . LEU   A 1 122 ? -26.199 5.972   -0.475  1   20.862  ? 134 LEU   B CB   1 ? 
ATOM   1778 C CG   . LEU   A 1 122 ? -27.617 5.514   -0.852  1   21.972  ? 134 LEU   B CG   1 ? 
ATOM   1779 C CD1  . LEU   A 1 122 ? -27.78  5.189   -2.343  1   23.018  ? 134 LEU   B CD1  1 ? 
ATOM   1780 C CD2  . LEU   A 1 122 ? -27.951 4.28    -0.052  1   24.471  ? 134 LEU   B CD2  1 ? 
ATOM   1781 H H    . LEU   A 1 122 ? -24.049 7.242   0.081   1   20.491  ? 134 LEU   B H    1 c 
ATOM   1782 H HA   . LEU   A 1 122 ? -25.573 6.923   -2.203  1   21.908  ? 134 LEU   B HA   1 c 
ATOM   1783 H HB2  . LEU   A 1 122 ? -25.586 5.211   -0.597  1   21.178  ? 134 LEU   B HB2  1 c 
ATOM   1784 H HB3  . LEU   A 1 122 ? -26.193 6.199   0.483   1   21.174  ? 134 LEU   B HB3  1 c 
ATOM   1785 H HG   . LEU   A 1 122 ? -28.258 6.231   -0.61   1   22.227  ? 134 LEU   B HG   1 c 
ATOM   1786 H HD11 . LEU   A 1 122 ? -27.607 5.987   -2.872  1   22.772  ? 134 LEU   B HD11 1 c 
ATOM   1787 H HD12 . LEU   A 1 122 ? -28.686 4.882   -2.511  1   22.851  ? 134 LEU   B HD12 1 c 
ATOM   1788 H HD13 . LEU   A 1 122 ? -27.151 4.492   -2.595  1   22.821  ? 134 LEU   B HD13 1 c 
ATOM   1789 H HD21 . LEU   A 1 122 ? -27.894 4.482   0.895   1   23.9    ? 134 LEU   B HD21 1 c 
ATOM   1790 H HD22 . LEU   A 1 122 ? -27.322 3.572   -0.27   1   23.945  ? 134 LEU   B HD22 1 c 
ATOM   1791 H HD23 . LEU   A 1 122 ? -28.853 3.988   -0.267  1   23.922  ? 134 LEU   B HD23 1 c 
ATOM   1792 N N    . LEU   A 1 123 ? -26.91  8.972   -2.229  1   25.105  ? 135 LEU   B N    1 ? 
ATOM   1793 C CA   . LEU   A 1 123 ? -27.738 10.171  -2.265  1   27.435  ? 135 LEU   B CA   1 ? 
ATOM   1794 C C    . LEU   A 1 123 ? -29.22  9.835   -2.1    1   28.122  ? 135 LEU   B C    1 ? 
ATOM   1795 O O    . LEU   A 1 123 ? -29.928 10.519  -1.344  1   33.245  ? 135 LEU   B O    1 ? 
ATOM   1796 C CB   . LEU   A 1 123 ? -27.495 10.953  -3.547  1   28.289  ? 135 LEU   B CB   1 ? 
ATOM   1797 C CG   . LEU   A 1 123 ? -26.04  11.327  -3.829  1   26.118  ? 135 LEU   B CG   1 ? 
ATOM   1798 C CD1  . LEU   A 1 123 ? -25.916 11.766  -5.309  1   28.655  ? 135 LEU   B CD1  1 ? 
ATOM   1799 C CD2  . LEU   A 1 123 ? -25.593 12.403  -2.875  1   29.772  ? 135 LEU   B CD2  1 ? 
ATOM   1800 H H    . LEU   A 1 123 ? -26.647 8.604   -3.024  1   24.889  ? 135 LEU   B H    1 c 
ATOM   1801 H HA   . LEU   A 1 123 ? -27.474 10.74   -1.499  1   27.029  ? 135 LEU   B HA   1 c 
ATOM   1802 H HB2  . LEU   A 1 123 ? -27.832 10.417  -4.302  1   27.979  ? 135 LEU   B HB2  1 c 
ATOM   1803 H HB3  . LEU   A 1 123 ? -28.027 11.781  -3.507  1   27.529  ? 135 LEU   B HB3  1 c 
ATOM   1804 H HG   . LEU   A 1 123 ? -25.473 10.526  -3.69   1   27.194  ? 135 LEU   B HG   1 c 
ATOM   1805 H HD11 . LEU   A 1 123 ? -26.193 11.036  -5.888  1   28.104  ? 135 LEU   B HD11 1 c 
ATOM   1806 H HD12 . LEU   A 1 123 ? -24.993 11.999  -5.502  1   28.151  ? 135 LEU   B HD12 1 c 
ATOM   1807 H HD13 . LEU   A 1 123 ? -26.485 12.538  -5.467  1   28.178  ? 135 LEU   B HD13 1 c 
ATOM   1808 H HD21 . LEU   A 1 123 ? -25.637 12.069  -1.963  1   28.904  ? 135 LEU   B HD21 1 c 
ATOM   1809 H HD22 . LEU   A 1 123 ? -26.173 13.178  -2.963  1   29.05   ? 135 LEU   B HD22 1 c 
ATOM   1810 H HD23 . LEU   A 1 123 ? -24.678 12.66   -3.08   1   28.99   ? 135 LEU   B HD23 1 c 
ATOM   1811 N N    . ASP   A 1 124 ? -29.712 8.813   -2.813  1   30.093  ? 136 ASP   B N    1 ? 
ATOM   1812 C CA   . ASP   A 1 124 ? -31.134 8.495   -2.802  1   32.86   ? 136 ASP   B CA   1 ? 
ATOM   1813 C C    . ASP   A 1 124 ? -31.347 7.179   -3.52   1   32.94   ? 136 ASP   B C    1 ? 
ATOM   1814 O O    . ASP   A 1 124 ? -30.444 6.711   -4.194  1   30.474  ? 136 ASP   B O    1 ? 
ATOM   1815 C CB   . ASP   A 1 124 ? -31.982 9.585   -3.456  1   37.38   ? 136 ASP   B CB   1 ? 
ATOM   1816 C CG   . ASP   A 1 124 ? -33.442 9.681   -3.017  1   42.391  ? 136 ASP   B CG   1 ? 
ATOM   1817 O OD1  . ASP   A 1 124 ? -33.881 8.919   -2.114  1   45.535  ? 136 ASP   B OD1  1 ? 
ATOM   1818 O OD2  . ASP   A 1 124 ? -34.16  10.502  -3.614  1   50.34   ? 136 ASP   B OD2  1 ? 
ATOM   1819 H H    . ASP   A 1 124 ? -29.148 8.306   -3.323  1   30.182  ? 136 ASP   B H    1 c 
ATOM   1820 H HA   . ASP   A 1 124 ? -31.42  8.394   -1.866  1   33.181  ? 136 ASP   B HA   1 c 
ATOM   1821 H HB2  . ASP   A 1 124 ? -31.569 10.457  -3.291  1   36.935  ? 136 ASP   B HB2  1 c 
ATOM   1822 H HB3  . ASP   A 1 124 ? -31.975 9.44    -4.425  1   37.092  ? 136 ASP   B HB3  1 c 
ATOM   1823 N N    . PHE   A 1 125 ? -32.533 6.589   -3.352  1   35.244  ? 137 PHE   B N    1 ? 
ATOM   1824 C CA   . PHE   A 1 125 ? -32.928 5.386   -4.056  1   34.887  ? 137 PHE   B CA   1 ? 
ATOM   1825 C C    . PHE   A 1 125 ? -34.449 5.318   -4.065  1   40.422  ? 137 PHE   B C    1 ? 
ATOM   1826 O O    . PHE   A 1 125 ? -35.111 5.835   -3.156  1   41.88   ? 137 PHE   B O    1 ? 
ATOM   1827 C CB   . PHE   A 1 125 ? -32.288 4.116   -3.484  1   34.236  ? 137 PHE   B CB   1 ? 
ATOM   1828 C CG   . PHE   A 1 125 ? -32.572 3.803   -2.031  1   34.137  ? 137 PHE   B CG   1 ? 
ATOM   1829 C CD1  . PHE   A 1 125 ? -31.85  4.417   -1.013  1   35.179  ? 137 PHE   B CD1  1 ? 
ATOM   1830 C CD2  . PHE   A 1 125 ? -33.585 2.913   -1.691  1   36.491  ? 137 PHE   B CD2  1 ? 
ATOM   1831 C CE1  . PHE   A 1 125 ? -32.12  4.129   0.314   1   36.892  ? 137 PHE   B CE1  1 ? 
ATOM   1832 C CE2  . PHE   A 1 125 ? -33.868 2.647   -0.354  1   37.865  ? 137 PHE   B CE2  1 ? 
ATOM   1833 C CZ   . PHE   A 1 125 ? -33.133 3.251   0.639   1   39.049  ? 137 PHE   B CZ   1 ? 
ATOM   1834 H H    . PHE   A 1 125 ? -33.121 6.955   -2.756  1   34.594  ? 137 PHE   B H    1 c 
ATOM   1835 H HA   . PHE   A 1 125 ? -32.624 5.479   -4.994  1   35.472  ? 137 PHE   B HA   1 c 
ATOM   1836 H HB2  . PHE   A 1 125 ? -32.586 3.354   -4.029  1   34.319  ? 137 PHE   B HB2  1 c 
ATOM   1837 H HB3  . PHE   A 1 125 ? -31.315 4.188   -3.601  1   34.264  ? 137 PHE   B HB3  1 c 
ATOM   1838 H HD1  . PHE   A 1 125 ? -31.158 5.021   -1.23   1   35.65   ? 137 PHE   B HD1  1 c 
ATOM   1839 H HD2  . PHE   A 1 125 ? -34.094 2.501   -2.371  1   36.092  ? 137 PHE   B HD2  1 c 
ATOM   1840 H HE1  . PHE   A 1 125 ? -31.622 4.548   0.997   1   37.297  ? 137 PHE   B HE1  1 c 
ATOM   1841 H HE2  . PHE   A 1 125 ? -34.552 2.036   -0.13   1   37.821  ? 137 PHE   B HE2  1 c 
ATOM   1842 H HZ   . PHE   A 1 125 ? -33.317 3.058   1.545   1   38.557  ? 137 PHE   B HZ   1 c 
ATOM   1843 N N    . LYS   A 1 126 ? -34.979 4.706   -5.129  1   41.103  ? 138 LYS   B N    1 ? 
ATOM   1844 C CA   . LYS   A 1 126 ? -36.398 4.74    -5.458  1   43.943  ? 138 LYS   B CA   1 ? 
ATOM   1845 C C    . LYS   A 1 126 ? -36.767 3.358   -5.989  1   43.97   ? 138 LYS   B C    1 ? 
ATOM   1846 O O    . LYS   A 1 126 ? -35.993 2.782   -6.733  1   43.956  ? 138 LYS   B O    1 ? 
ATOM   1847 C CB   . LYS   A 1 126 ? -36.737 5.822   -6.502  1   42.563  ? 138 LYS   B CB   1 ? 
ATOM   1848 H H    . LYS   A 1 126 ? -34.422 4.235   -5.679  1   41.433  ? 138 LYS   B H    1 c 
ATOM   1849 H HA   . LYS   A 1 126 ? -36.913 4.912   -4.629  1   43.591  ? 138 LYS   B HA   1 c 
ATOM   1850 H HB2  . LYS   A 1 126 ? -35.878 6.162   -6.811  0   41.92   ? 138 LYS   B HB2  1 c 
ATOM   1851 H HB3  . LYS   A 1 126 ? -37.696 5.88    -6.549  0   41.92   ? 138 LYS   B HB3  1 c 
ATOM   1852 N N    . GLY   A 1 127 ? -37.95  2.852   -5.623  1   47.306  ? 139 GLY   B N    1 ? 
ATOM   1853 C CA   . GLY   A 1 127 ? -38.365 1.517   -6.03   1   46.977  ? 139 GLY   B CA   1 ? 
ATOM   1854 C C    . GLY   A 1 127 ? -38.685 1.467   -7.515  1   47.737  ? 139 GLY   B C    1 ? 
ATOM   1855 O O    . GLY   A 1 127 ? -39.154 2.454   -8.062  1   52.398  ? 139 GLY   B O    1 ? 
ATOM   1856 H H    . GLY   A 1 127 ? -38.514 3.35    -5.104  1   46.604  ? 139 GLY   B H    1 c 
ATOM   1857 H HA2  . GLY   A 1 127 ? -37.644 0.88    -5.825  1   47.314  ? 139 GLY   B HA2  1 c 
ATOM   1858 H HA3  . GLY   A 1 127 ? -39.161 1.254   -5.511  1   47.372  ? 139 GLY   B HA3  1 c 
ATOM   1859 N N    . GLU   A 1 128 ? -38.454 0.313   -8.153  1   48.642  ? 140 GLU   B N    1 ? 
ATOM   1860 C CA   . GLU   A 1 128 ? -38.936 0.066   -9.506  1   55.379  ? 140 GLU   B CA   1 ? 
ATOM   1861 C C    . GLU   A 1 128 ? -40.46  0.311   -9.533  1   57.838  ? 140 GLU   B C    1 ? 
ATOM   1862 O O    . GLU   A 1 128 ? -41.162 -0.372  -8.765  1   63.753  ? 140 GLU   B O    1 ? 
ATOM   1863 C CB   . GLU   A 1 128 ? -38.587 -1.34   -10.005 1   53.094  ? 140 GLU   B CB   1 ? 
ATOM   1864 O OXT  . GLU   A 1 128 ? -40.886 1.2     -10.289 1   62.69   ? 140 GLU   B OXT  1 ? 
ATOM   1865 H H    . GLU   A 1 128 ? -37.978 -0.342  -7.729  1   49.229  ? 140 GLU   B H    1 c 
ATOM   1866 H HA   . GLU   A 1 128 ? -38.505 0.723   -10.109 1   54.171  ? 140 GLU   B HA   1 c 
ATOM   1867 H HB2  . GLU   A 1 128 ? -37.626 -1.42   -10.063 0   52.76   ? 140 GLU   B HB2  1 c 
ATOM   1868 H HB3  . GLU   A 1 128 ? -39.436 -1.809  -10.203 0   52.76   ? 140 GLU   B HB3  1 c 
ATOM   1869 N N    . GLY   B 1 1   ? 4.959   -20.239 -38.667 1   39.691  ? 13  GLY   A N    1 ? 
ATOM   1870 C CA   . GLY   B 1 1   ? 3.76    -21.091 -38.629 1   35.355  ? 13  GLY   A CA   1 ? 
ATOM   1871 C C    . GLY   B 1 1   ? 2.487   -20.264 -38.48  1   33.48   ? 13  GLY   A C    1 ? 
ATOM   1872 O O    . GLY   B 1 1   ? 2.355   -19.201 -39.066 1   33.542  ? 13  GLY   A O    1 ? 
ATOM   1873 H H1   . GLY   B 1 1   ? 5.695   -20.746 -38.808 1   38.716  ? 13  GLY   A H1   1 c 
ATOM   1874 H H2   . GLY   B 1 1   ? 5.051   -19.8   -37.881 1   38.673  ? 13  GLY   A H2   1 c 
ATOM   1875 H H3   . GLY   B 1 1   ? 4.888   -19.632 -39.335 1   38.555  ? 13  GLY   A H3   1 c 
ATOM   1876 H HA2  . GLY   B 1 1   ? 3.714   -21.62  -39.46  1   35.793  ? 13  GLY   A HA2  1 c 
ATOM   1877 H HA3  . GLY   B 1 1   ? 3.836   -21.716 -37.873 1   35.796  ? 13  GLY   A HA3  1 c 
ATOM   1878 N N    . ALA   B 1 2   ? 1.535   -20.758 -37.696 1   32.744  ? 14  ALA   A N    1 ? 
ATOM   1879 C CA   . ALA   B 1 2   ? 0.2     -20.19  -37.708 1   31.413  ? 14  ALA   A CA   1 ? 
ATOM   1880 C C    . ALA   B 1 2   ? 0.189   -18.719 -37.276 1   29.023  ? 14  ALA   A C    1 ? 
ATOM   1881 O O    . ALA   B 1 2   ? -0.458  -17.907 -37.942 1   30.082  ? 14  ALA   A O    1 ? 
ATOM   1882 C CB   . ALA   B 1 2   ? -0.705  -21.045 -36.859 1   33.248  ? 14  ALA   A CB   1 ? 
ATOM   1883 H H    . ALA   B 1 2   ? 1.719   -21.458 -37.138 1   32.841  ? 14  ALA   A H    1 c 
ATOM   1884 H HA   . ALA   B 1 2   ? -0.13   -20.227 -38.648 1   31.69   ? 14  ALA   A HA   1 c 
ATOM   1885 H HB1  . ALA   B 1 2   ? -0.758  -21.939 -37.238 1   33.034  ? 14  ALA   A HB1  1 c 
ATOM   1886 H HB2  . ALA   B 1 2   ? -0.354  -21.102 -35.956 1   32.818  ? 14  ALA   A HB2  1 c 
ATOM   1887 H HB3  . ALA   B 1 2   ? -1.594  -20.654 -36.834 1   32.858  ? 14  ALA   A HB3  1 c 
ATOM   1888 N N    . PRO   B 1 3   ? 0.9     -18.296 -36.205 1   27.815  ? 15  PRO   A N    1 ? 
ATOM   1889 C CA   . PRO   B 1 3   ? 0.961   -16.886 -35.866 1   27.529  ? 15  PRO   A CA   1 ? 
ATOM   1890 C C    . PRO   B 1 3   ? 1.51    -16.039 -37.004 1   33.651  ? 15  PRO   A C    1 ? 
ATOM   1891 O O    . PRO   B 1 3   ? 0.929   -15.028 -37.361 1   32.012  ? 15  PRO   A O    1 ? 
ATOM   1892 C CB   . PRO   B 1 3   ? 1.793   -16.858 -34.603 1   26.561  ? 15  PRO   A CB   1 ? 
ATOM   1893 C CG   . PRO   B 1 3   ? 1.586   -18.234 -34.005 1   27.883  ? 15  PRO   A CG   1 ? 
ATOM   1894 C CD   . PRO   B 1 3   ? 1.551   -19.154 -35.202 1   30.28   ? 15  PRO   A CD   1 ? 
ATOM   1895 H HA   . PRO   B 1 3   ? 0.058   -16.575 -35.65  1   27.313  ? 15  PRO   A HA   1 c 
ATOM   1896 H HB2  . PRO   B 1 3   ? 2.736   -16.704 -34.808 1   27.109  ? 15  PRO   A HB2  1 c 
ATOM   1897 H HB3  . PRO   B 1 3   ? 1.481   -16.161 -33.994 1   27.02   ? 15  PRO   A HB3  1 c 
ATOM   1898 H HG2  . PRO   B 1 3   ? 2.322   -18.472 -33.407 1   28.028  ? 15  PRO   A HG2  1 c 
ATOM   1899 H HG3  . PRO   B 1 3   ? 0.744   -18.278 -33.509 1   27.698  ? 15  PRO   A HG3  1 c 
ATOM   1900 H HD2  . PRO   B 1 3   ? 2.448   -19.411 -35.487 1   29.718  ? 15  PRO   A HD2  1 c 
ATOM   1901 H HD3  . PRO   B 1 3   ? 1.023   -19.952 -35.022 1   29.382  ? 15  PRO   A HD3  1 c 
ATOM   1902 N N    . ALA   B 1 4   ? 2.609   -16.478 -37.628 1   40.212  ? 16  ALA   A N    1 ? 
ATOM   1903 C CA   . ALA   B 1 4   ? 3.17    -15.724 -38.735 1   51.365  ? 16  ALA   A CA   1 ? 
ATOM   1904 C C    . ALA   B 1 4   ? 2.173   -15.655 -39.893 1   61.444  ? 16  ALA   A C    1 ? 
ATOM   1905 O O    . ALA   B 1 4   ? 2.136   -14.632 -40.577 1   58.722  ? 16  ALA   A O    1 ? 
ATOM   1906 C CB   . ALA   B 1 4   ? 4.503   -16.322 -39.124 1   47.2    ? 16  ALA   A CB   1 ? 
ATOM   1907 H H    . ALA   B 1 4   ? 3.014   -17.254 -37.361 1   41.262  ? 16  ALA   A H    1 c 
ATOM   1908 H HA   . ALA   B 1 4   ? 3.325   -14.791 -38.417 1   55.1    ? 16  ALA   A HA   1 c 
ATOM   1909 H HB1  . ALA   B 1 4   ? 5.13    -16.229 -38.386 1   48.762  ? 16  ALA   A HB1  1 c 
ATOM   1910 H HB2  . ALA   B 1 4   ? 4.39    -17.265 -39.332 1   48.94   ? 16  ALA   A HB2  1 c 
ATOM   1911 H HB3  . ALA   B 1 4   ? 4.855   -15.86  -39.904 1   48.378  ? 16  ALA   A HB3  1 c 
ATOM   1912 N N    . THR   B 1 5   ? 1.288   -16.68  -40.03  1   64.772  ? 17  THR   A N    1 ? 
ATOM   1913 C CA   . THR   B 1 5   ? 0.412   -16.705 -41.222 1   81.683  ? 17  THR   A CA   1 ? 
ATOM   1914 C C    . THR   B 1 5   ? -0.634  -15.639 -41.01  1   73.321  ? 17  THR   A C    1 ? 
ATOM   1915 O O    . THR   B 1 5   ? -1.085  -14.956 -41.923 1   91.153  ? 17  THR   A O    1 ? 
ATOM   1916 C CB   . THR   B 1 5   ? -0.144  -18.132 -41.455 1   92.059  ? 17  THR   A CB   1 ? 
ATOM   1917 O OG1  . THR   B 1 5   ? 0.842   -18.996 -42.002 1   76.358  ? 17  THR   A OG1  1 ? 
ATOM   1918 C CG2  . THR   B 1 5   ? -1.618  -18.104 -42.056 1   87.124  ? 17  THR   A CG2  1 ? 
ATOM   1919 H H    . THR   B 1 5   ? 1.298   -17.419 -39.435 1   69.306  ? 17  THR   A H    1 c 
ATOM   1920 H HA   . THR   B 1 5   ? 0.956   -16.454 -42.01  1   85.439  ? 17  THR   A HA   1 c 
ATOM   1921 H HB   . THR   B 1 5   ? -0.316  -18.482 -40.543 1   90.489  ? 17  THR   A HB   1 c 
ATOM   1922 H HG1  . THR   B 1 5   ? 1.332   -18.815 -42.487 0   68.52   ? 17  THR   A HG1  1 c 
ATOM   1923 H HG21 . THR   B 1 5   ? -1.879  -18.995 -42.351 1   100.98  ? 17  THR   A HG21 1 c 
ATOM   1924 H HG22 . THR   B 1 5   ? -1.656  -17.489 -42.844 1   100.618 ? 17  THR   A HG22 1 c 
ATOM   1925 H HG23 . THR   B 1 5   ? -2.254  -17.802 -41.343 1   95.211  ? 17  THR   A HG23 1 c 
ATOM   1926 N N    . VAL   B 1 6   ? -1.02   -15.473 -39.747 1   75.791  ? 18  VAL   A N    1 ? 
ATOM   1927 C CA   . VAL   B 1 6   ? -2.031  -14.494 -39.433 1   42.061  ? 18  VAL   A CA   1 ? 
ATOM   1928 C C    . VAL   B 1 6   ? -1.464  -13.102 -39.603 1   31.494  ? 18  VAL   A C    1 ? 
ATOM   1929 O O    . VAL   B 1 6   ? -2.125  -12.198 -40.128 1   33.871  ? 18  VAL   A O    1 ? 
ATOM   1930 C CB   . VAL   B 1 6   ? -2.572  -14.648 -38.011 1   27.583  ? 18  VAL   A CB   1 ? 
ATOM   1931 C CG1  . VAL   B 1 6   ? -3.59   -13.545 -37.716 1   25.066  ? 18  VAL   A CG1  1 ? 
ATOM   1932 C CG2  . VAL   B 1 6   ? -3.171  -16.027 -37.81  1   29.982  ? 18  VAL   A CG2  1 ? 
ATOM   1933 H H    . VAL   B 1 6   ? -0.645  -15.966 -39.074 1   74.516  ? 18  VAL   A H    1 c 
ATOM   1934 H HA   . VAL   B 1 6   ? -2.772  -14.603 -40.056 1   45.664  ? 18  VAL   A HA   1 c 
ATOM   1935 H HB   . VAL   B 1 6   ? -1.812  -14.545 -37.391 1   28.806  ? 18  VAL   A HB   1 c 
ATOM   1936 H HG11 . VAL   B 1 6   ? -4.282  -13.55  -38.399 1   25.53   ? 18  VAL   A HG11 1 c 
ATOM   1937 H HG12 . VAL   B 1 6   ? -3.146  -12.68  -37.711 1   25.547  ? 18  VAL   A HG12 1 c 
ATOM   1938 H HG13 . VAL   B 1 6   ? -3.994  -13.702 -36.845 1   25.27   ? 18  VAL   A HG13 1 c 
ATOM   1939 H HG21 . VAL   B 1 6   ? -3.522  -16.099 -36.906 1   29.23   ? 18  VAL   A HG21 1 c 
ATOM   1940 H HG22 . VAL   B 1 6   ? -2.489  -16.702 -37.945 1   29.607  ? 18  VAL   A HG22 1 c 
ATOM   1941 H HG23 . VAL   B 1 6   ? -3.891  -16.163 -38.448 1   29.733  ? 18  VAL   A HG23 1 c 
ATOM   1942 N N    . THR   B 1 7   ? -0.225  -12.886 -39.154 1   32.17   ? 19  THR   A N    1 ? 
ATOM   1943 C CA   . THR   B 1 7   ? 0.432   -11.615 -39.453 1   34.662  ? 19  THR   A CA   1 ? 
ATOM   1944 C C    . THR   B 1 7   ? 0.364   -11.283 -40.941 1   38.859  ? 19  THR   A C    1 ? 
ATOM   1945 O O    . THR   B 1 7   ? 0.035   -10.158 -41.296 1   41.002  ? 19  THR   A O    1 ? 
ATOM   1946 C CB   . THR   B 1 7   ? 1.893   -11.695 -39.031 1   34.584  ? 19  THR   A CB   1 ? 
ATOM   1947 O OG1  . THR   B 1 7   ? 1.918   -11.745 -37.617 1   32.547  ? 19  THR   A OG1  1 ? 
ATOM   1948 C CG2  . THR   B 1 7   ? 2.658   -10.462 -39.471 1   37.65   ? 19  THR   A CG2  1 ? 
ATOM   1949 H H    . THR   B 1 7   ? 0.212   -13.517 -38.658 1   31.892  ? 19  THR   A H    1 c 
ATOM   1950 H HA   . THR   B 1 7   ? -0.01   -10.903 -38.943 1   34.238  ? 19  THR   A HA   1 c 
ATOM   1951 H HB   . THR   B 1 7   ? 2.319   -12.505 -39.401 1   35.165  ? 19  THR   A HB   1 c 
ATOM   1952 H HG1  . THR   B 1 7   ? 1.537   -11.035 -37.293 0   32.71   ? 19  THR   A HG1  1 c 
ATOM   1953 H HG21 . THR   B 1 7   ? 3.554   -10.485 -39.093 1   37.086  ? 19  THR   A HG21 1 c 
ATOM   1954 H HG22 . THR   B 1 7   ? 2.197   -9.665  -39.158 1   36.773  ? 19  THR   A HG22 1 c 
ATOM   1955 H HG23 . THR   B 1 7   ? 2.719   -10.441 -40.441 1   37.214  ? 19  THR   A HG23 1 c 
ATOM   1956 N N    . GLU   B 1 8   ? 0.668   -12.278 -41.768 1   42.967  ? 20  GLU   A N    1 ? 
ATOM   1957 C CA   . GLU   B 1 8   ? 0.819   -12.053 -43.202 1   50.65   ? 20  GLU   A CA   1 ? 
ATOM   1958 C C    . GLU   B 1 8   ? -0.526  -11.909 -43.921 1   54.002  ? 20  GLU   A C    1 ? 
ATOM   1959 O O    . GLU   B 1 8   ? -0.641  -11.117 -44.85  1   58.475  ? 20  GLU   A O    1 ? 
ATOM   1960 C CB   . GLU   B 1 8   ? 1.677   -13.179 -43.799 1   53.166  ? 20  GLU   A CB   1 ? 
ATOM   1961 H H    . GLU   B 1 8   ? 0.787   -13.122 -41.437 1   44.406  ? 20  GLU   A H    1 c 
ATOM   1962 H HA   . GLU   B 1 8   ? 1.32    -11.207 -43.325 1   49.877  ? 20  GLU   A HA   1 c 
ATOM   1963 H HB2  . GLU   B 1 8   ? 2.539   -13.145 -43.717 0   52.11   ? 20  GLU   A HB2  1 c 
ATOM   1964 H HB3  . GLU   B 1 8   ? 0.962   -14.026 -44.146 0   52.11   ? 20  GLU   A HB3  1 c 
ATOM   1965 N N    . GLN   B 1 9   ? -1.503  -12.753 -43.59  1   48.628  ? 21  GLN   A N    1 ? 
ATOM   1966 C CA   . GLN   B 1 9   ? -2.72   -12.902 -44.375 1   54.796  ? 21  GLN   A CA   1 ? 
ATOM   1967 C C    . GLN   B 1 9   ? -3.947  -12.483 -43.563 1   62.657  ? 21  GLN   A C    1 ? 
ATOM   1968 O O    . GLN   B 1 9   ? -5.048  -12.466 -44.086 1   62.725  ? 21  GLN   A O    1 ? 
ATOM   1969 C CB   . GLN   B 1 9   ? -2.915  -14.354 -44.814 1   46.721  ? 21  GLN   A CB   1 ? 
ATOM   1970 H H    . GLN   B 1 9   ? -1.4    -13.275 -42.847 1   50.288  ? 21  GLN   A H    1 c 
ATOM   1971 H HA   . GLN   B 1 9   ? -2.657  -12.327 -45.179 1   54.143  ? 21  GLN   A HA   1 c 
ATOM   1972 H HB2  . GLN   B 1 9   ? -2.068  -14.886 -44.893 0   59.66   ? 21  GLN   A HB2  1 c 
ATOM   1973 H HB3  . GLN   B 1 9   ? -3.912  -14.681 -44.836 0   59.66   ? 21  GLN   A HB3  1 c 
ATOM   1974 N N    . GLY   B 1 10  ? -3.77   -12.177 -42.273 1   51.18   ? 22  GLY   A N    1 ? 
ATOM   1975 C CA   . GLY   B 1 10  ? -4.913  -11.97  -41.399 1   41.612  ? 22  GLY   A CA   1 ? 
ATOM   1976 C C    . GLY   B 1 10  ? -5.612  -10.639 -41.667 1   33.445  ? 22  GLY   A C    1 ? 
ATOM   1977 O O    . GLY   B 1 10  ? -4.968  -9.618  -41.91  1   33.146  ? 22  GLY   A O    1 ? 
ATOM   1978 H H    . GLY   B 1 10  ? -2.929  -12.084 -41.93  1   51.203  ? 22  GLY   A H    1 c 
ATOM   1979 H HA2  . GLY   B 1 10  ? -5.553  -12.709 -41.528 1   41.643  ? 22  GLY   A HA2  1 c 
ATOM   1980 H HA3  . GLY   B 1 10  ? -4.61   -11.995 -40.462 1   40.965  ? 22  GLY   A HA3  1 c 
ATOM   1981 N N    . GLU   B 1 11  ? -6.938  -10.677 -41.531 1   27.45   ? 23  GLU   A N    1 ? 
ATOM   1982 C CA   . GLU   B 1 11  ? -7.807  -9.518  -41.642 1   25.404  ? 23  GLU   A CA   1 ? 
ATOM   1983 C C    . GLU   B 1 11  ? -7.81   -8.749  -40.32  1   22.196  ? 23  GLU   A C    1 ? 
ATOM   1984 O O    . GLU   B 1 11  ? -7.941  -9.307  -39.244 1   22.984  ? 23  GLU   A O    1 ? 
ATOM   1985 C CB   . GLU   B 1 11  ? -9.217  -10.012 -41.976 1   27.393  ? 23  GLU   A CB   1 ? 
ATOM   1986 H H    . GLU   B 1 11  ? -7.325  -11.484 -41.347 1   27.973  ? 23  GLU   A H    1 c 
ATOM   1987 H HA   . GLU   B 1 11  ? -7.472  -8.933  -42.368 1   25.461  ? 23  GLU   A HA   1 c 
ATOM   1988 H HB2  . GLU   B 1 11  ? -9.121  -10.844 -42.496 0   27.26   ? 23  GLU   A HB2  1 c 
ATOM   1989 H HB3  . GLU   B 1 11  ? -9.866  -9.409  -41.585 0   27.26   ? 23  GLU   A HB3  1 c 
ATOM   1990 N N    . ASP   B 1 12  ? -7.679  -7.434  -40.402 1   23.987  ? 24  ASP   A N    1 ? 
ATOM   1991 C CA   . ASP   B 1 12  ? -7.797  -6.545  -39.273 1   21.998  ? 24  ASP   A CA   1 ? 
ATOM   1992 C C    . ASP   B 1 12  ? -9.27   -6.313  -38.969 1   21.762  ? 24  ASP   A C    1 ? 
ATOM   1993 O O    . ASP   B 1 12  ? -9.967  -5.667  -39.746 1   23.884  ? 24  ASP   A O    1 ? 
ATOM   1994 C CB   . ASP   B 1 12  ? -7.107  -5.225  -39.538 1   24.297  ? 24  ASP   A CB   1 ? 
ATOM   1995 C CG   . ASP   B 1 12  ? -7.06   -4.264  -38.378 1   23.644  ? 24  ASP   A CG   1 ? 
ATOM   1996 O OD1  . ASP   B 1 12  ? -7.7    -4.557  -37.346 1   23.634  ? 24  ASP   A OD1  1 ? 
ATOM   1997 O OD2  . ASP   B 1 12  ? -6.446  -3.195  -38.53  1   24.781  ? 24  ASP   A OD2  1 ? 
ATOM   1998 H H    . ASP   B 1 12  ? -7.506  -7.065  -41.22  1   23.201  ? 24  ASP   A H    1 c 
ATOM   1999 H HA   . ASP   B 1 12  ? -7.37   -6.967  -38.495 1   22.569  ? 24  ASP   A HA   1 c 
ATOM   2000 H HB2  . ASP   B 1 12  ? -6.184  -5.409  -39.813 1   23.599  ? 24  ASP   A HB2  1 c 
ATOM   2001 H HB3  . ASP   B 1 12  ? -7.556  -4.778  -40.286 1   23.616  ? 24  ASP   A HB3  1 c 
ATOM   2002 N N    . ILE   B 1 13  ? -9.727  -6.884  -37.854 1   20.744  ? 25  ILE   A N    1 ? 
ATOM   2003 C CA   . ILE   B 1 13  ? -11.136 -6.79   -37.49  1   20.746  ? 25  ILE   A CA   1 ? 
ATOM   2004 C C    . ILE   B 1 13  ? -11.376 -5.747  -36.395 1   20.31   ? 25  ILE   A C    1 ? 
ATOM   2005 O O    . ILE   B 1 13  ? -12.508 -5.676  -35.875 1   23.285  ? 25  ILE   A O    1 ? 
ATOM   2006 C CB   . ILE   B 1 13  ? -11.705 -8.163  -37.099 1   21.119  ? 25  ILE   A CB   1 ? 
ATOM   2007 C CG1  . ILE   B 1 13  ? -11.024 -8.754  -35.856 1   20.968  ? 25  ILE   A CG1  1 ? 
ATOM   2008 C CG2  . ILE   B 1 13  ? -11.678 -9.085  -38.31  1   23.253  ? 25  ILE   A CG2  1 ? 
ATOM   2009 C CD1  . ILE   B 1 13  ? -11.738 -9.971  -35.302 1   22.708  ? 25  ILE   A CD1  1 ? 
ATOM   2010 H H    . ILE   B 1 13  ? -9.154  -7.335  -37.303 1   21.005  ? 25  ILE   A H    1 c 
ATOM   2011 H HA   . ILE   B 1 13  ? -11.623 -6.495  -38.283 1   20.743  ? 25  ILE   A HA   1 c 
ATOM   2012 H HB   . ILE   B 1 13  ? -12.645 -8.026  -36.868 1   21.447  ? 25  ILE   A HB   1 c 
ATOM   2013 H HG12 . ILE   B 1 13  ? -10.106 -9.005  -36.086 1   21.118  ? 25  ILE   A HG12 1 c 
ATOM   2014 H HG13 . ILE   B 1 13  ? -10.983 -8.069  -35.158 1   21.106  ? 25  ILE   A HG13 1 c 
ATOM   2015 H HG21 . ILE   B 1 13  ? -12.086 -9.937  -38.082 1   22.795  ? 25  ILE   A HG21 1 c 
ATOM   2016 H HG22 . ILE   B 1 13  ? -10.758 -9.233  -38.588 1   22.693  ? 25  ILE   A HG22 1 c 
ATOM   2017 H HG23 . ILE   B 1 13  ? -12.173 -8.677  -39.041 1   22.673  ? 25  ILE   A HG23 1 c 
ATOM   2018 H HD11 . ILE   B 1 13  ? -12.663 -9.74   -35.096 1   22.339  ? 25  ILE   A HD11 1 c 
ATOM   2019 H HD12 . ILE   B 1 13  ? -11.29  -10.267 -34.487 1   22.217  ? 25  ILE   A HD12 1 c 
ATOM   2020 H HD13 . ILE   B 1 13  ? -11.723 -10.693 -35.958 1   22.339  ? 25  ILE   A HD13 1 c 
ATOM   2021 N N    . THR   B 1 14  ? -10.389 -4.884  -36.132 1   20.52   ? 26  THR   A N    1 ? 
ATOM   2022 C CA   . THR   B 1 14  ? -10.576 -3.786  -35.194 1   21.523  ? 26  THR   A CA   1 ? 
ATOM   2023 C C    . THR   B 1 14  ? -11.324 -2.637  -35.863 1   23.631  ? 26  THR   A C    1 ? 
ATOM   2024 O O    . THR   B 1 14  ? -11.141 -2.36   -37.049 1   26.838  ? 26  THR   A O    1 ? 
ATOM   2025 C CB   . THR   B 1 14  ? -9.265  -3.267  -34.592 1   21.8    ? 26  THR   A CB   1 ? 
ATOM   2026 O OG1  . THR   B 1 14  ? -8.467  -2.697  -35.626 1   22.689  ? 26  THR   A OG1  1 ? 
ATOM   2027 C CG2  . THR   B 1 14  ? -8.516  -4.375  -33.879 1   21.332  ? 26  THR   A CG2  1 ? 
ATOM   2028 H H    . THR   B 1 14  ? -9.578  -4.979  -36.542 1   20.552  ? 26  THR   A H    1 c 
ATOM   2029 H HA   . THR   B 1 14  ? -11.129 -4.12   -34.455 1   21.777  ? 26  THR   A HA   1 c 
ATOM   2030 H HB   . THR   B 1 14  ? -9.475  -2.566  -33.931 1   21.646  ? 26  THR   A HB   1 c 
ATOM   2031 H HG1  . THR   B 1 14  ? -8.29   -3.293  -36.221 0   22.7    ? 26  THR   A HG1  1 c 
ATOM   2032 H HG21 . THR   B 1 14  ? -7.688  -4.025  -33.511 1   21.376  ? 26  THR   A HG21 1 c 
ATOM   2033 H HG22 . THR   B 1 14  ? -8.314  -5.087  -34.508 1   21.519  ? 26  THR   A HG22 1 c 
ATOM   2034 H HG23 . THR   B 1 14  ? -9.066  -4.727  -33.159 1   21.372  ? 26  THR   A HG23 1 c 
ATOM   2035 N N    . SER   B 1 15  ? -12.099 -1.905  -35.056 1   27.542  ? 27  SER   A N    1 ? 
ATOM   2036 C CA   . SER   B 1 15  ? -12.757 -0.687  -35.535 1   32.985  ? 27  SER   A CA   1 ? 
ATOM   2037 C C    . SER   B 1 15  ? -11.737 0.39    -35.877 1   31.374  ? 27  SER   A C    1 ? 
ATOM   2038 O O    . SER   B 1 15  ? -11.889 1.14    -36.839 1   35.753  ? 27  SER   A O    1 ? 
ATOM   2039 C CB   . SER   B 1 15  ? -13.77  -0.171  -34.533 1   38.939  ? 27  SER   A CB   1 ? 
ATOM   2040 O OG   . SER   B 1 15  ? -14.765 -1.16   -34.281 1   43.497  ? 27  SER   A OG   1 ? 
ATOM   2041 H H    . SER   B 1 15  ? -12.222 -2.163  -34.187 1   27.459  ? 27  SER   A H    1 c 
ATOM   2042 H HA   . SER   B 1 15  ? -13.243 -0.917  -36.368 1   32.092  ? 27  SER   A HA   1 c 
ATOM   2043 H HB2  . SER   B 1 15  ? -13.316 0.059   -33.7   1   38.414  ? 27  SER   A HB2  1 c 
ATOM   2044 H HB3  . SER   B 1 15  ? -14.193 0.635   -34.887 1   39.024  ? 27  SER   A HB3  1 c 
ATOM   2045 H HG   . SER   B 1 15  ? -15.306 -0.824  -33.713 0   53.03   ? 27  SER   A HG   1 c 
ATOM   2046 N N    . LYS   B 1 16  ? -10.681 0.496   -35.076 1   30.19   ? 28  LYS   A N    1 ? 
ATOM   2047 C CA   . LYS   B 1 16  ? -9.686  1.541   -35.284 1   31.513  ? 28  LYS   A CA   1 ? 
ATOM   2048 C C    . LYS   B 1 16  ? -8.682  1.199   -36.383 1   31.127  ? 28  LYS   A C    1 ? 
ATOM   2049 O O    . LYS   B 1 16  ? -7.835  2.037   -36.706 1   31.413  ? 28  LYS   A O    1 ? 
ATOM   2050 C CB   . LYS   B 1 16  ? -8.94   1.739   -33.958 1   32.069  ? 28  LYS   A CB   1 ? 
ATOM   2051 C CG   . LYS   B 1 16  ? -9.825  2.292   -32.847 1   35.218  ? 28  LYS   A CG   1 ? 
ATOM   2052 C CD   . LYS   B 1 16  ? -9.068  2.788   -31.627 1   42.211  ? 28  LYS   A CD   1 ? 
ATOM   2053 C CE   . LYS   B 1 16  ? -9.999  3.069   -30.476 1   46.654  ? 28  LYS   A CE   1 ? 
ATOM   2054 N NZ   . LYS   B 1 16  ? -9.229  3.249   -29.246 1   51.003  ? 28  LYS   A NZ   1 ? 
ATOM   2055 H H    . LYS   B 1 16  ? -10.574 -0.089  -34.382 1   30.432  ? 28  LYS   A H    1 c 
ATOM   2056 H HA   . LYS   B 1 16  ? -10.152 2.382   -35.523 1   31.065  ? 28  LYS   A HA   1 c 
ATOM   2057 H HB2  . LYS   B 1 16  ? -8.569  0.879   -33.666 1   32.615  ? 28  LYS   A HB2  1 c 
ATOM   2058 H HB3  . LYS   B 1 16  ? -8.192  2.357   -34.099 1   32.119  ? 28  LYS   A HB3  1 c 
ATOM   2059 H HG2  . LYS   B 1 16  ? -10.354 3.034   -33.214 1   35.336  ? 28  LYS   A HG2  1 c 
ATOM   2060 H HG3  . LYS   B 1 16  ? -10.451 1.591   -32.569 1   35.641  ? 28  LYS   A HG3  1 c 
ATOM   2061 H HD2  . LYS   B 1 16  ? -8.412  2.109   -31.355 1   41.724  ? 28  LYS   A HD2  1 c 
ATOM   2062 H HD3  . LYS   B 1 16  ? -8.583  3.61    -31.858 1   41.637  ? 28  LYS   A HD3  1 c 
ATOM   2063 H HE2  . LYS   B 1 16  ? -10.518 3.873   -30.655 1   46.465  ? 28  LYS   A HE2  1 c 
ATOM   2064 H HE3  . LYS   B 1 16  ? -10.614 2.322   -30.36  1   46.457  ? 28  LYS   A HE3  1 c 
ATOM   2065 H HZ1  . LYS   B 1 16  ? -8.668  3.954   -29.338 1   49.949  ? 28  LYS   A HZ1  1 c 
ATOM   2066 H HZ2  . LYS   B 1 16  ? -8.743  2.504   -29.073 1   50.048  ? 28  LYS   A HZ2  1 c 
ATOM   2067 H HZ3  . LYS   B 1 16  ? -9.791  3.404   -28.553 1   50.054  ? 28  LYS   A HZ3  1 c 
ATOM   2068 N N    A LYS   B 1 17  ? -8.729  -0.039  -36.902 0.5 27.609  ? 29  LYS   A N    1 ? 
ATOM   2069 N N    B LYS   B 1 17  ? -8.75   -0.028  -36.928 0.5 27.909  ? 29  LYS   A N    1 ? 
ATOM   2070 C CA   A LYS   B 1 17  ? -7.799  -0.485  -37.93  0.5 29.426  ? 29  LYS   A CA   1 ? 
ATOM   2071 C CA   B LYS   B 1 17  ? -7.811  -0.489  -37.943 0.5 30.074  ? 29  LYS   A CA   1 ? 
ATOM   2072 C C    A LYS   B 1 17  ? -6.355  -0.293  -37.468 0.5 31.513  ? 29  LYS   A C    1 ? 
ATOM   2073 C C    B LYS   B 1 17  ? -6.37   -0.3    -37.467 0.5 31.724  ? 29  LYS   A C    1 ? 
ATOM   2074 O O    A LYS   B 1 17  ? -5.483  0.177   -38.208 0.5 40.1    ? 29  LYS   A O    1 ? 
ATOM   2075 O O    B LYS   B 1 17  ? -5.507  0.169   -38.209 0.5 40.226  ? 29  LYS   A O    1 ? 
ATOM   2076 C CB   A LYS   B 1 17  ? -8.143  0.155   -39.282 0.5 30.573  ? 29  LYS   A CB   1 ? 
ATOM   2077 C CB   B LYS   B 1 17  ? -8.181  0.157   -39.285 0.5 31.379  ? 29  LYS   A CB   1 ? 
ATOM   2078 C CG   A LYS   B 1 17  ? -9.49   -0.329  -39.83  0.5 32.744  ? 29  LYS   A CG   1 ? 
ATOM   2079 C CG   B LYS   B 1 17  ? -9.552  -0.312  -39.798 0.5 33.701  ? 29  LYS   A CG   1 ? 
ATOM   2080 C CD   A LYS   B 1 17  ? -9.568  -1.833  -40.064 0.5 34.529  ? 29  LYS   A CD   1 ? 
ATOM   2081 C CD   B LYS   B 1 17  ? -9.652  -1.821  -40.023 0.5 35.91   ? 29  LYS   A CD   1 ? 
ATOM   2082 C CE   A LYS   B 1 17  ? -10.925 -2.3    -40.455 0.5 37.916  ? 29  LYS   A CE   1 ? 
ATOM   2083 C CE   B LYS   B 1 17  ? -11.001 -2.364  -40.471 0.5 38.699  ? 29  LYS   A CE   1 ? 
ATOM   2084 N NZ   A LYS   B 1 17  ? -11.083 -2.146  -41.891 0.5 33.102  ? 29  LYS   A NZ   1 ? 
ATOM   2085 N NZ   B LYS   B 1 17  ? -11.768 -3.053  -39.406 0.5 32.917  ? 29  LYS   A NZ   1 ? 
ATOM   2086 H H    A LYS   B 1 17  ? -9.356  -0.63   -36.598 0.5 28.592  ? 29  LYS   A H    1 c 
ATOM   2087 H H    B LYS   B 1 17  ? -9.404  -0.602  -36.652 0.5 28.899  ? 29  LYS   A H    1 c 
ATOM   2088 H HA   A LYS   B 1 17  ? -7.942  -1.456  -38.045 0.5 29.662  ? 29  LYS   A HA   1 c 
ATOM   2089 H HA   B LYS   B 1 17  ? -7.96   -1.46   -38.053 0.5 30.169  ? 29  LYS   A HA   1 c 
ATOM   2090 H HB2  A LYS   B 1 17  ? -8.173  1.13    -39.183 0.5 30.787  ? 29  LYS   A HB2  1 c 
ATOM   2091 H HB2  B LYS   B 1 17  ? -8.197  1.133   -39.185 0.5 31.581  ? 29  LYS   A HB2  1 c 
ATOM   2092 H HB3  A LYS   B 1 17  ? -7.441  -0.064  -39.931 0.5 30.692  ? 29  LYS   A HB3  1 c 
ATOM   2093 H HB3  B LYS   B 1 17  ? -7.498  -0.069  -39.952 0.5 31.481  ? 29  LYS   A HB3  1 c 
ATOM   2094 H HG2  A LYS   B 1 17  ? -10.194 -0.069  -39.197 0.5 32.686  ? 29  LYS   A HG2  1 c 
ATOM   2095 H HG2  B LYS   B 1 17  ? -10.238 -0.039  -39.151 0.5 33.706  ? 29  LYS   A HG2  1 c 
ATOM   2096 H HG3  A LYS   B 1 17  ? -9.665  0.134   -40.678 0.5 32.301  ? 29  LYS   A HG3  1 c 
ATOM   2097 H HG3  B LYS   B 1 17  ? -9.74   0.148   -40.645 0.5 33.423  ? 29  LYS   A HG3  1 c 
ATOM   2098 H HD2  A LYS   B 1 17  ? -8.931  -2.077  -40.77  0.5 34.846  ? 29  LYS   A HD2  1 c 
ATOM   2099 H HD2  B LYS   B 1 17  ? -8.976  -2.074  -40.691 0.5 35.955  ? 29  LYS   A HD2  1 c 
ATOM   2100 H HD3  A LYS   B 1 17  ? -9.296  -2.296  -39.241 0.5 34.869  ? 29  LYS   A HD3  1 c 
ATOM   2101 H HD3  B LYS   B 1 17  ? -9.401  -2.267  -39.185 0.5 36.071  ? 29  LYS   A HD3  1 c 
ATOM   2102 H HE2  A LYS   B 1 17  ? -11.04  -3.237  -40.214 0.5 36.158  ? 29  LYS   A HE2  1 c 
ATOM   2103 H HE2  B LYS   B 1 17  ? -11.536 -1.623  -40.809 0.5 37.259  ? 29  LYS   A HE2  1 c 
ATOM   2104 H HE3  A LYS   B 1 17  ? -11.603 -1.773  -39.996 0.5 36.236  ? 29  LYS   A HE3  1 c 
ATOM   2105 H HE3  B LYS   B 1 17  ? -10.862 -2.985  -41.209 0.5 37.209  ? 29  LYS   A HE3  1 c 
ATOM   2106 H HZ1  A LYS   B 1 17  ? -10.472 -2.658  -42.322 0.5 34.044  ? 29  LYS   A HZ1  1 c 
ATOM   2107 H HZ1  B LYS   B 1 17  ? -11.955 -2.47   -38.739 0.5 33.657  ? 29  LYS   A HZ1  1 c 
ATOM   2108 H HZ2  A LYS   B 1 17  ? -10.962 -1.279  -42.122 0.5 34.253  ? 29  LYS   A HZ2  1 c 
ATOM   2109 H HZ2  B LYS   B 1 17  ? -11.282 -3.742  -39.075 0.5 33.86   ? 29  LYS   A HZ2  1 c 
ATOM   2110 H HZ3  A LYS   B 1 17  ? -11.916 -2.407  -42.136 0.5 33.909  ? 29  LYS   A HZ3  1 c 
ATOM   2111 H HZ3  B LYS   B 1 17  ? -12.544 -3.373  -39.749 0.5 34.259  ? 29  LYS   A HZ3  1 c 
ATOM   2112 N N    . ASP   B 1 18  ? -6.103  -0.765  -36.243 1   28.661  ? 30  ASP   A N    1 ? 
ATOM   2113 C CA   . ASP   B 1 18  ? -4.784  -0.663  -35.636 1   28.529  ? 30  ASP   A CA   1 ? 
ATOM   2114 C C    . ASP   B 1 18  ? -4.082  -2.024  -35.611 1   27.409  ? 30  ASP   A C    1 ? 
ATOM   2115 O O    . ASP   B 1 18  ? -3.061  -2.168  -34.973 1   30.029  ? 30  ASP   A O    1 ? 
ATOM   2116 C CB   . ASP   B 1 18  ? -4.93   -0.066  -34.25  1   28.086  ? 30  ASP   A CB   1 ? 
ATOM   2117 C CG   . ASP   B 1 18  ? -5.75   -0.883  -33.261 1   26.302  ? 30  ASP   A CG   1 ? 
ATOM   2118 O OD1  . ASP   B 1 18  ? -6.007  -2.063  -33.556 1   24.66   ? 30  ASP   A OD1  1 ? 
ATOM   2119 O OD2  . ASP   B 1 18  ? -6.153  -0.318  -32.234 1   27.479  ? 30  ASP   A OD2  1 ? 
ATOM   2120 H H    A ASP   B 1 18  ? -6.776  -1.168  -35.773 0.5 28.717  ? 30  ASP   A H    1 c 
ATOM   2121 H H    B ASP   B 1 18  ? -6.773  -1.17   -35.771 0.5 28.728  ? 30  ASP   A H    1 c 
ATOM   2122 H HA   . ASP   B 1 18  ? -4.238  -0.04   -36.164 1   28.289  ? 30  ASP   A HA   1 c 
ATOM   2123 H HB2  . ASP   B 1 18  ? -4.036  0.063   -33.869 1   27.938  ? 30  ASP   A HB2  1 c 
ATOM   2124 H HB3  . ASP   B 1 18  ? -5.349  0.816   -34.334 1   27.764  ? 30  ASP   A HB3  1 c 
ATOM   2125 N N    . ARG   B 1 19  ? -4.603  -2.993  -36.371 1   25.066  ? 31  ARG   A N    1 ? 
ATOM   2126 C CA   . ARG   B 1 19  ? -4.048  -4.332  -36.489 1   25.608  ? 31  ARG   A CA   1 ? 
ATOM   2127 C C    . ARG   B 1 19  ? -3.961  -5.022  -35.126 1   21.985  ? 31  ARG   A C    1 ? 
ATOM   2128 O O    . ARG   B 1 19  ? -3.201  -5.981  -34.95  1   25.732  ? 31  ARG   A O    1 ? 
ATOM   2129 C CB   . ARG   B 1 19  ? -2.716  -4.317  -37.259 1   27.572  ? 31  ARG   A CB   1 ? 
ATOM   2130 C CG   . ARG   B 1 19  ? -2.894  -3.948  -38.726 1   29.372  ? 31  ARG   A CG   1 ? 
ATOM   2131 C CD   . ARG   B 1 19  ? -1.551  -3.721  -39.373 1   32.189  ? 31  ARG   A CD   1 ? 
ATOM   2132 N NE   . ARG   B 1 19  ? -0.721  -4.912  -39.241 1   33.695  ? 31  ARG   A NE   1 ? 
ATOM   2133 C CZ   . ARG   B 1 19  ? -0.958  -6.099  -39.772 1   26.72   ? 31  ARG   A CZ   1 ? 
ATOM   2134 N NH1  . ARG   B 1 19  ? -1.905  -6.223  -40.672 1   34.334  ? 31  ARG   A NH1  1 ? 
ATOM   2135 N NH2  . ARG   B 1 19  ? -0.136  -7.136  -39.6   1   33.246  ? 31  ARG   A NH2  1 ? 
ATOM   2136 H H    . ARG   B 1 19  ? -5.357  -2.806  -36.85  1   25.194  ? 31  ARG   A H    1 c 
ATOM   2137 H HA   . ARG   B 1 19  ? -4.677  -4.86   -37.041 1   25.102  ? 31  ARG   A HA   1 c 
ATOM   2138 H HB2  . ARG   B 1 19  ? -2.108  -3.672  -36.839 1   27.442  ? 31  ARG   A HB2  1 c 
ATOM   2139 H HB3  . ARG   B 1 19  ? -2.302  -5.203  -37.201 1   27.598  ? 31  ARG   A HB3  1 c 
ATOM   2140 H HG2  . ARG   B 1 19  ? -3.365  -4.671  -39.194 1   29.567  ? 31  ARG   A HG2  1 c 
ATOM   2141 H HG3  . ARG   B 1 19  ? -3.43   -3.128  -38.797 1   29.272  ? 31  ARG   A HG3  1 c 
ATOM   2142 H HD2  . ARG   B 1 19  ? -1.669  -3.508  -40.321 1   31.609  ? 31  ARG   A HD2  1 c 
ATOM   2143 H HD3  . ARG   B 1 19  ? -1.103  -2.964  -38.942 1   31.747  ? 31  ARG   A HD3  1 c 
ATOM   2144 H HE   . ARG   B 1 19  ? 0.005   -4.836  -38.764 1   31.928  ? 31  ARG   A HE   1 c 
ATOM   2145 H HH11 . ARG   B 1 19  ? -2.2    -5.517  -41.115 1   31.765  ? 31  ARG   A HH11 1 c 
ATOM   2146 H HH12 . ARG   B 1 19  ? -2.249  -7.023  -40.836 1   31.967  ? 31  ARG   A HH12 1 c 
ATOM   2147 H HH21 . ARG   B 1 19  ? 0.556   -7.061  -39.054 1   31.132  ? 31  ARG   A HH21 1 c 
ATOM   2148 H HH22 . ARG   B 1 19  ? -0.282  -7.894  -40.03  1   31.44   ? 31  ARG   A HH22 1 c 
ATOM   2149 N N    . GLY   B 1 20  ? -4.806  -4.586  -34.182 1   20.421  ? 32  GLY   A N    1 ? 
ATOM   2150 C CA   . GLY   B 1 20  ? -4.697  -5.093  -32.82  1   19.049  ? 32  GLY   A CA   1 ? 
ATOM   2151 C C    . GLY   B 1 20  ? -5.266  -6.502  -32.685 1   16.787  ? 32  GLY   A C    1 ? 
ATOM   2152 O O    . GLY   B 1 20  ? -4.914  -7.208  -31.736 1   18.116  ? 32  GLY   A O    1 ? 
ATOM   2153 H H    . GLY   B 1 20  ? -5.465  -3.988  -34.386 1   20.367  ? 32  GLY   A H    1 c 
ATOM   2154 H HA2  . GLY   B 1 20  ? -3.751  -5.095  -32.55  1   18.901  ? 32  GLY   A HA2  1 c 
ATOM   2155 H HA3  . GLY   B 1 20  ? -5.181  -4.487  -32.216 1   18.837  ? 32  GLY   A HA3  1 c 
ATOM   2156 N N    . VAL   B 1 21  ? -6.182  -6.856  -33.589 1   17.309  ? 33  VAL   A N    1 ? 
ATOM   2157 C CA   . VAL   B 1 21  ? -6.797  -8.16   -33.63  1   17.387  ? 33  VAL   A CA   1 ? 
ATOM   2158 C C    . VAL   B 1 21  ? -6.868  -8.578  -35.093 1   18.892  ? 33  VAL   A C    1 ? 
ATOM   2159 O O    . VAL   B 1 21  ? -7.551  -7.931  -35.88  1   19.404  ? 33  VAL   A O    1 ? 
ATOM   2160 C CB   . VAL   B 1 21  ? -8.196  -8.231  -33.01  1   18.362  ? 33  VAL   A CB   1 ? 
ATOM   2161 C CG1  . VAL   B 1 21  ? -8.72   -9.661  -33     1   19.588  ? 33  VAL   A CG1  1 ? 
ATOM   2162 C CG2  . VAL   B 1 21  ? -8.232  -7.636  -31.623 1   18.982  ? 33  VAL   A CG2  1 ? 
ATOM   2163 H H    . VAL   B 1 21  ? -6.437  -6.242  -34.215 1   17.264  ? 33  VAL   A H    1 c 
ATOM   2164 H HA   . VAL   B 1 21  ? -6.219  -8.788  -33.156 1   17.492  ? 33  VAL   A HA   1 c 
ATOM   2165 H HB   . VAL   B 1 21  ? -8.795  -7.695  -33.581 1   18.649  ? 33  VAL   A HB   1 c 
ATOM   2166 H HG11 . VAL   B 1 21  ? -8.096  -10.232 -32.52  1   19.354  ? 33  VAL   A HG11 1 c 
ATOM   2167 H HG12 . VAL   B 1 21  ? -8.816  -9.982  -33.912 1   19.238  ? 33  VAL   A HG12 1 c 
ATOM   2168 H HG13 . VAL   B 1 21  ? -9.585  -9.686  -32.557 1   19.41   ? 33  VAL   A HG13 1 c 
ATOM   2169 H HG21 . VAL   B 1 21  ? -9.125  -7.734  -31.251 1   18.858  ? 33  VAL   A HG21 1 c 
ATOM   2170 H HG22 . VAL   B 1 21  ? -8.003  -6.693  -31.667 1   18.838  ? 33  VAL   A HG22 1 c 
ATOM   2171 H HG23 . VAL   B 1 21  ? -7.594  -8.099  -31.054 1   18.886  ? 33  VAL   A HG23 1 c 
ATOM   2172 N N    . LEU   B 1 22  ? -6.116  -9.631  -35.426 1   18.912  ? 34  LEU   A N    1 ? 
ATOM   2173 C CA   . LEU   B 1 22  ? -6.01   -10.099 -36.807 1   19.584  ? 34  LEU   A CA   1 ? 
ATOM   2174 C C    . LEU   B 1 22  ? -6.593  -11.501 -36.86  1   19.182  ? 34  LEU   A C    1 ? 
ATOM   2175 O O    . LEU   B 1 22  ? -6.336  -12.3   -35.978 1   20.629  ? 34  LEU   A O    1 ? 
ATOM   2176 C CB   . LEU   B 1 22  ? -4.555  -10.106 -37.277 1   21.763  ? 34  LEU   A CB   1 ? 
ATOM   2177 C CG   . LEU   B 1 22  ? -3.791  -8.775  -37.265 1   23.778  ? 34  LEU   A CG   1 ? 
ATOM   2178 C CD1  . LEU   B 1 22  ? -2.333  -9.032  -37.467 1   25.458  ? 34  LEU   A CD1  1 ? 
ATOM   2179 C CD2  . LEU   B 1 22  ? -4.318  -7.821  -38.318 1   27.707  ? 34  LEU   A CD2  1 ? 
ATOM   2180 H H    . LEU   B 1 22  ? -5.654  -10.077 -34.776 1   19.026  ? 34  LEU   A H    1 c 
ATOM   2181 H HA   . LEU   B 1 22  ? -6.54   -9.502  -37.389 1   19.618  ? 34  LEU   A HA   1 c 
ATOM   2182 H HB2  . LEU   B 1 22  ? -4.061  -10.748 -36.717 1   21.39   ? 34  LEU   A HB2  1 c 
ATOM   2183 H HB3  . LEU   B 1 22  ? -4.536  -10.46  -38.196 1   21.67   ? 34  LEU   A HB3  1 c 
ATOM   2184 H HG   . LEU   B 1 22  ? -3.913  -8.354  -36.375 1   23.624  ? 34  LEU   A HG   1 c 
ATOM   2185 H HD11 . LEU   B 1 22  ? -2.002  -9.603  -36.753 1   24.859  ? 34  LEU   A HD11 1 c 
ATOM   2186 H HD12 . LEU   B 1 22  ? -1.85   -8.189  -37.456 1   25.032  ? 34  LEU   A HD12 1 c 
ATOM   2187 H HD13 . LEU   B 1 22  ? -2.196  -9.472  -38.322 1   25.337  ? 34  LEU   A HD13 1 c 
ATOM   2188 H HD21 . LEU   B 1 22  ? -5.256  -7.635  -38.148 1   26.641  ? 34  LEU   A HD21 1 c 
ATOM   2189 H HD22 . LEU   B 1 22  ? -4.222  -8.222  -39.198 1   26.959  ? 34  LEU   A HD22 1 c 
ATOM   2190 H HD23 . LEU   B 1 22  ? -3.814  -6.99   -38.285 1   26.604  ? 34  LEU   A HD23 1 c 
ATOM   2191 N N    . LYS   B 1 23  ? -7.342  -11.804 -37.923 1   20.86   ? 35  LYS   A N    1 ? 
ATOM   2192 C CA   . LYS   B 1 23  ? -8.147  -13.008 -38.004 1   21.291  ? 35  LYS   A CA   1 ? 
ATOM   2193 C C    . LYS   B 1 23  ? -7.941  -13.734 -39.339 1   22.714  ? 35  LYS   A C    1 ? 
ATOM   2194 O O    . LYS   B 1 23  ? -7.963  -13.113 -40.396 1   24.14   ? 35  LYS   A O    1 ? 
ATOM   2195 C CB   . LYS   B 1 23  ? -9.639  -12.676 -37.887 1   21.632  ? 35  LYS   A CB   1 ? 
ATOM   2196 C CG   . LYS   B 1 23  ? -10.573 -13.855 -37.948 1   22.908  ? 35  LYS   A CG   1 ? 
ATOM   2197 C CD   . LYS   B 1 23  ? -12.036 -13.506 -37.898 1   22.658  ? 35  LYS   A CD   1 ? 
ATOM   2198 C CE   . LYS   B 1 23  ? -12.922 -14.712 -37.884 1   24.237  ? 35  LYS   A CE   1 ? 
ATOM   2199 N NZ   . LYS   B 1 23  ? -14.333 -14.448 -38.186 1   22.162  ? 35  LYS   A NZ   1 ? 
ATOM   2200 H H    . LYS   B 1 23  ? -7.348  -11.231 -38.635 1   20.495  ? 35  LYS   A H    1 c 
ATOM   2201 H HA   . LYS   B 1 23  ? -7.891  -13.61  -37.264 1   21.565  ? 35  LYS   A HA   1 c 
ATOM   2202 H HB2  . LYS   B 1 23  ? -9.788  -12.209 -37.037 1   21.747  ? 35  LYS   A HB2  1 c 
ATOM   2203 H HB3  . LYS   B 1 23  ? -9.878  -12.058 -38.61  1   21.72   ? 35  LYS   A HB3  1 c 
ATOM   2204 H HG2  . LYS   B 1 23  ? -10.397 -14.35  -38.776 1   22.559  ? 35  LYS   A HG2  1 c 
ATOM   2205 H HG3  . LYS   B 1 23  ? -10.365 -14.453 -37.197 1   22.806  ? 35  LYS   A HG3  1 c 
ATOM   2206 H HD2  . LYS   B 1 23  ? -12.21  -12.972 -37.092 1   23.064  ? 35  LYS   A HD2  1 c 
ATOM   2207 H HD3  . LYS   B 1 23  ? -12.26  -12.955 -38.68  1   22.858  ? 35  LYS   A HD3  1 c 
ATOM   2208 H HE2  . LYS   B 1 23  ? -12.584 -15.357 -38.53  1   23.5    ? 35  LYS   A HE2  1 c 
ATOM   2209 H HE3  . LYS   B 1 23  ? -12.869 -15.126 -37.004 1   23.822  ? 35  LYS   A HE3  1 c 
ATOM   2210 H HZ1  . LYS   B 1 23  ? -14.409 -14.105 -39.021 1   22.432  ? 35  LYS   A HZ1  1 c 
ATOM   2211 H HZ2  . LYS   B 1 23  ? -14.667 -13.854 -37.589 1   22.503  ? 35  LYS   A HZ2  1 c 
ATOM   2212 H HZ3  . LYS   B 1 23  ? -14.807 -15.218 -38.135 1   22.621  ? 35  LYS   A HZ3  1 c 
ATOM   2213 N N    . ILE   B 1 24  ? -7.812  -15.058 -39.26  1   24.266  ? 36  ILE   A N    1 ? 
ATOM   2214 C CA   . ILE   B 1 24  ? -7.94   -15.937 -40.414 1   25.304  ? 36  ILE   A CA   1 ? 
ATOM   2215 C C    . ILE   B 1 24  ? -9.024  -16.956 -40.116 1   27.397  ? 36  ILE   A C    1 ? 
ATOM   2216 O O    . ILE   B 1 24  ? -8.984  -17.629 -39.099 1   28.286  ? 36  ILE   A O    1 ? 
ATOM   2217 C CB   . ILE   B 1 24  ? -6.621  -16.628 -40.789 1   27.621  ? 36  ILE   A CB   1 ? 
ATOM   2218 C CG1  . ILE   B 1 24  ? -5.538  -15.629 -41.119 1   30.589  ? 36  ILE   A CG1  1 ? 
ATOM   2219 C CG2  . ILE   B 1 24  ? -6.839  -17.627 -41.941 1   30.278  ? 36  ILE   A CG2  1 ? 
ATOM   2220 C CD1  . ILE   B 1 24  ? -4.265  -16.267 -41.637 1   33.394  ? 36  ILE   A CD1  1 ? 
ATOM   2221 H H    . ILE   B 1 24  ? -7.632  -15.436 -38.447 1   24.151  ? 36  ILE   A H    1 c 
ATOM   2222 H HA   . ILE   B 1 24  ? -8.226  -15.4   -41.178 1   25.625  ? 36  ILE   A HA   1 c 
ATOM   2223 H HB   . ILE   B 1 24  ? -6.324  -17.136 -40.008 1   27.984  ? 36  ILE   A HB   1 c 
ATOM   2224 H HG12 . ILE   B 1 24  ? -5.878  -15.007 -41.794 1   30.606  ? 36  ILE   A HG12 1 c 
ATOM   2225 H HG13 . ILE   B 1 24  ? -5.328  -15.113 -40.313 1   30.358  ? 36  ILE   A HG13 1 c 
ATOM   2226 H HG21 . ILE   B 1 24  ? -6.014  -18.107 -42.121 1   29.678  ? 36  ILE   A HG21 1 c 
ATOM   2227 H HG22 . ILE   B 1 24  ? -7.114  -17.148 -42.741 1   29.839  ? 36  ILE   A HG22 1 c 
ATOM   2228 H HG23 . ILE   B 1 24  ? -7.529  -18.265 -41.696 1   29.673  ? 36  ILE   A HG23 1 c 
ATOM   2229 H HD11 . ILE   B 1 24  ? -3.946  -16.906 -40.973 1   33.484  ? 36  ILE   A HD11 1 c 
ATOM   2230 H HD12 . ILE   B 1 24  ? -3.589  -15.577 -41.774 1   34.415  ? 36  ILE   A HD12 1 c 
ATOM   2231 H HD13 . ILE   B 1 24  ? -4.428  -16.728 -42.48  1   33.365  ? 36  ILE   A HD13 1 c 
ATOM   2232 N N    . VAL   B 1 25  ? -9.96   -17.103 -41.065 1   26.451  ? 37  VAL   A N    1 ? 
ATOM   2233 C CA   . VAL   B 1 25  ? -10.944 -18.159 -40.981 1   26.83   ? 37  VAL   A CA   1 ? 
ATOM   2234 C C    . VAL   B 1 25  ? -10.261 -19.426 -41.51  1   27.472  ? 37  VAL   A C    1 ? 
ATOM   2235 O O    . VAL   B 1 25  ? -9.819  -19.469 -42.675 1   34.054  ? 37  VAL   A O    1 ? 
ATOM   2236 C CB   . VAL   B 1 25  ? -12.21  -17.844 -41.795 1   29.82   ? 37  VAL   A CB   1 ? 
ATOM   2237 C CG1  . VAL   B 1 25  ? -13.205 -18.988 -41.801 1   31.144  ? 37  VAL   A CG1  1 ? 
ATOM   2238 C CG2  . VAL   B 1 25  ? -12.89  -16.618 -41.227 1   29.453  ? 37  VAL   A CG2  1 ? 
ATOM   2239 H H    . VAL   B 1 25  ? -9.984  -16.53  -41.777 1   26.487  ? 37  VAL   A H    1 c 
ATOM   2240 H HA   . VAL   B 1 25  ? -11.192 -18.291 -40.046 1   27.493  ? 37  VAL   A HA   1 c 
ATOM   2241 H HB   . VAL   B 1 25  ? -11.932 -17.656 -42.723 1   29.412  ? 37  VAL   A HB   1 c 
ATOM   2242 H HG11 . VAL   B 1 25  ? -13.433 -19.225 -40.886 1   31      ? 37  VAL   A HG11 1 c 
ATOM   2243 H HG12 . VAL   B 1 25  ? -12.817 -19.758 -42.248 1   30.807  ? 37  VAL   A HG12 1 c 
ATOM   2244 H HG13 . VAL   B 1 25  ? -14.01  -18.715 -42.273 1   30.689  ? 37  VAL   A HG13 1 c 
ATOM   2245 H HG21 . VAL   B 1 25  ? -13.694 -16.427 -41.738 1   29.383  ? 37  VAL   A HG21 1 c 
ATOM   2246 H HG22 . VAL   B 1 25  ? -12.287 -15.857 -41.279 1   29.475  ? 37  VAL   A HG22 1 c 
ATOM   2247 H HG23 . VAL   B 1 25  ? -13.127 -16.78  -40.299 1   29.607  ? 37  VAL   A HG23 1 c 
ATOM   2248 N N    . LYS   B 1 26  ? -10.25  -20.457 -40.662 1   27.588  ? 38  LYS   A N    1 ? 
ATOM   2249 C CA   . LYS   B 1 26  ? -9.704  -21.75  -41.054 1   28.275  ? 38  LYS   A CA   1 ? 
ATOM   2250 C C    . LYS   B 1 26  ? -10.762 -22.737 -41.532 1   31.263  ? 38  LYS   A C    1 ? 
ATOM   2251 O O    . LYS   B 1 26  ? -10.426 -23.609 -42.355 1   37.574  ? 38  LYS   A O    1 ? 
ATOM   2252 C CB   . LYS   B 1 26  ? -8.938  -22.352 -39.864 1   26.421  ? 38  LYS   A CB   1 ? 
ATOM   2253 C CG   . LYS   B 1 26  ? -7.771  -21.499 -39.365 1   28.303  ? 38  LYS   A CG   1 ? 
ATOM   2254 C CD   . LYS   B 1 26  ? -6.757  -20.952 -40.364 1   32.233  ? 38  LYS   A CD   1 ? 
ATOM   2255 C CE   . LYS   B 1 26  ? -5.871  -22.019 -40.853 1   33.507  ? 38  LYS   A CE   1 ? 
ATOM   2256 N NZ   . LYS   B 1 26  ? -4.896  -21.652 -41.889 1   35.582  ? 38  LYS   A NZ   1 ? 
ATOM   2257 H H    . LYS   B 1 26  ? -10.589 -20.358 -39.819 1   27.833  ? 38  LYS   A H    1 c 
ATOM   2258 H HA   . LYS   B 1 26  ? -9.063  -21.606 -41.795 1   28.526  ? 38  LYS   A HA   1 c 
ATOM   2259 H HB2  . LYS   B 1 26  ? -9.565  -22.485 -39.121 1   27.053  ? 38  LYS   A HB2  1 c 
ATOM   2260 H HB3  . LYS   B 1 26  ? -8.592  -23.232 -40.124 1   26.904  ? 38  LYS   A HB3  1 c 
ATOM   2261 H HG2  . LYS   B 1 26  ? -8.153  -20.737 -38.877 1   28.142  ? 38  LYS   A HG2  1 c 
ATOM   2262 H HG3  . LYS   B 1 26  ? -7.282  -22.033 -38.702 1   28.788  ? 38  LYS   A HG3  1 c 
ATOM   2263 H HD2  . LYS   B 1 26  ? -7.227  -20.546 -41.123 1   31.065  ? 38  LYS   A HD2  1 c 
ATOM   2264 H HD3  . LYS   B 1 26  ? -6.217  -20.258 -39.928 1   31.448  ? 38  LYS   A HD3  1 c 
ATOM   2265 H HE2  . LYS   B 1 26  ? -5.382  -22.38  -40.092 1   33.314  ? 38  LYS   A HE2  1 c 
ATOM   2266 H HE3  . LYS   B 1 26  ? -6.427  -22.738 -41.203 1   33.632  ? 38  LYS   A HE3  1 c 
ATOM   2267 H HZ1  . LYS   B 1 26  ? -4.459  -20.897 -41.643 1   34.973  ? 38  LYS   A HZ1  1 c 
ATOM   2268 H HZ2  . LYS   B 1 26  ? -5.323  -21.508 -42.676 1   35.558  ? 38  LYS   A HZ2  1 c 
ATOM   2269 H HZ3  . LYS   B 1 26  ? -4.294  -22.32  -41.991 1   35.14   ? 38  LYS   A HZ3  1 c 
ATOM   2270 N N    . ARG   B 1 27  ? -11.978 -22.68  -40.973 1   30.621  ? 39  ARG   A N    1 ? 
ATOM   2271 C CA   . ARG   B 1 27  ? -13.102 -23.485 -41.435 1   30.655  ? 39  ARG   A CA   1 ? 
ATOM   2272 C C    . ARG   B 1 27  ? -14.316 -22.567 -41.439 1   30.248  ? 39  ARG   A C    1 ? 
ATOM   2273 O O    . ARG   B 1 27  ? -14.648 -21.985 -40.41  1   32.44   ? 39  ARG   A O    1 ? 
ATOM   2274 C CB   . ARG   B 1 27  ? -13.386 -24.719 -40.558 1   31.54   ? 39  ARG   A CB   1 ? 
ATOM   2275 C CG   . ARG   B 1 27  ? -14.493 -25.632 -41.079 1   34.392  ? 39  ARG   A CG   1 ? 
ATOM   2276 C CD   . ARG   B 1 27  ? -14.702 -26.824 -40.178 1   35.006  ? 39  ARG   A CD   1 ? 
ATOM   2277 N NE   . ARG   B 1 27  ? -15.374 -26.479 -38.912 1   35.904  ? 39  ARG   A NE   1 ? 
ATOM   2278 C CZ   . ARG   B 1 27  ? -15.392 -27.277 -37.843 1   36.639  ? 39  ARG   A CZ   1 ? 
ATOM   2279 N NH1  . ARG   B 1 27  ? -16.053 -26.847 -36.782 1   36.33   ? 39  ARG   A NH1  1 ? 
ATOM   2280 N NH2  . ARG   B 1 27  ? -14.797 -28.496 -37.888 1   38.638  ? 39  ARG   A NH2  1 ? 
ATOM   2281 H H    . ARG   B 1 27  ? -12.109 -22.121 -40.262 1   30.751  ? 39  ARG   A H    1 c 
ATOM   2282 H HA   . ARG   B 1 27  ? -12.92  -23.782 -42.363 1   30.855  ? 39  ARG   A HA   1 c 
ATOM   2283 H HB2  . ARG   B 1 27  ? -12.56  -25.242 -40.478 1   31.311  ? 39  ARG   A HB2  1 c 
ATOM   2284 H HB3  . ARG   B 1 27  ? -13.63  -24.413 -39.658 1   31.981  ? 39  ARG   A HB3  1 c 
ATOM   2285 H HG2  . ARG   B 1 27  ? -15.333 -25.126 -41.14  1   34.469  ? 39  ARG   A HG2  1 c 
ATOM   2286 H HG3  . ARG   B 1 27  ? -14.259 -25.947 -41.979 1   33.866  ? 39  ARG   A HG3  1 c 
ATOM   2287 H HD2  . ARG   B 1 27  ? -15.237 -27.493 -40.652 1   35.31   ? 39  ARG   A HD2  1 c 
ATOM   2288 H HD3  . ARG   B 1 27  ? -13.83  -27.223 -39.981 1   34.731  ? 39  ARG   A HD3  1 c 
ATOM   2289 H HE   . ARG   B 1 27  ? -15.781 -25.711 -38.861 1   35.66   ? 39  ARG   A HE   1 c 
ATOM   2290 H HH11 . ARG   B 1 27  ? -16.397 -26.034 -36.769 1   36.258  ? 39  ARG   A HH11 1 c 
ATOM   2291 H HH12 . ARG   B 1 27  ? -16.146 -27.38  -36.082 1   36.594  ? 39  ARG   A HH12 1 c 
ATOM   2292 H HH21 . ARG   B 1 27  ? -14.635 -28.89  -38.665 1   38.335  ? 39  ARG   A HH21 1 c 
ATOM   2293 H HH22 . ARG   B 1 27  ? -14.576 -28.899 -37.129 1   37.953  ? 39  ARG   A HH22 1 c 
ATOM   2294 N N    . VAL   B 1 28  ? -14.956 -22.433 -42.599 1   32.377  ? 40  VAL   A N    1 ? 
ATOM   2295 C CA   . VAL   B 1 28  ? -16.164 -21.62  -42.703 1   31.999  ? 40  VAL   A CA   1 ? 
ATOM   2296 C C    . VAL   B 1 28  ? -17.311 -22.284 -41.926 1   32.675  ? 40  VAL   A C    1 ? 
ATOM   2297 O O    . VAL   B 1 28  ? -17.447 -23.495 -42.011 1   37.249  ? 40  VAL   A O    1 ? 
ATOM   2298 C CB   . VAL   B 1 28  ? -16.499 -21.424 -44.192 1   33.282  ? 40  VAL   A CB   1 ? 
ATOM   2299 C CG1  . VAL   B 1 28  ? -17.827 -20.687 -44.391 1   34.056  ? 40  VAL   A CG1  1 ? 
ATOM   2300 C CG2  . VAL   B 1 28  ? -15.382 -20.675 -44.915 1   32.952  ? 40  VAL   A CG2  1 ? 
ATOM   2301 H H    . VAL   B 1 28  ? -14.644 -22.865 -43.341 1   31.455  ? 40  VAL   A H    1 c 
ATOM   2302 H HA   . VAL   B 1 28  ? -15.983 -20.746 -42.308 1   32.102  ? 40  VAL   A HA   1 c 
ATOM   2303 H HB   . VAL   B 1 28  ? -16.581 -22.32  -44.595 1   33.482  ? 40  VAL   A HB   1 c 
ATOM   2304 H HG11 . VAL   B 1 28  ? -17.805 -19.842 -43.91  1   33.399  ? 40  VAL   A HG11 1 c 
ATOM   2305 H HG12 . VAL   B 1 28  ? -18.558 -21.232 -44.054 1   33.885  ? 40  VAL   A HG12 1 c 
ATOM   2306 H HG13 . VAL   B 1 28  ? -17.964 -20.516 -45.338 1   33.743  ? 40  VAL   A HG13 1 c 
ATOM   2307 H HG21 . VAL   B 1 28  ? -15.641 -20.522 -45.84  1   32.774  ? 40  VAL   A HG21 1 c 
ATOM   2308 H HG22 . VAL   B 1 28  ? -14.566 -21.201 -44.892 1   33.067  ? 40  VAL   A HG22 1 c 
ATOM   2309 H HG23 . VAL   B 1 28  ? -15.228 -19.82  -44.478 1   32.975  ? 40  VAL   A HG23 1 c 
ATOM   2310 N N    . GLY   B 1 29  ? -18.094 -21.498 -41.179 1   28.755  ? 41  GLY   A N    1 ? 
ATOM   2311 C CA   . GLY   B 1 29  ? -19.23  -21.981 -40.399 1   32.686  ? 41  GLY   A CA   1 ? 
ATOM   2312 C C    . GLY   B 1 29  ? -20.552 -21.958 -41.178 1   32.164  ? 41  GLY   A C    1 ? 
ATOM   2313 O O    . GLY   B 1 29  ? -20.544 -21.871 -42.388 1   34.797  ? 41  GLY   A O    1 ? 
ATOM   2314 H H    . GLY   B 1 29  ? -17.909 -20.603 -41.156 1   30.192  ? 41  GLY   A H    1 c 
ATOM   2315 H HA2  . GLY   B 1 29  ? -19.045 -22.902 -40.101 1   31.924  ? 41  GLY   A HA2  1 c 
ATOM   2316 H HA3  . GLY   B 1 29  ? -19.32  -21.42  -39.593 1   31.823  ? 41  GLY   A HA3  1 c 
ATOM   2317 N N    . ASN   B 1 30  ? -21.668 -22.096 -40.466 1   33.301  ? 42  ASN   A N    1 ? 
ATOM   2318 C CA   . ASN   B 1 30  ? -22.955 -22.409 -41.048 1   34.809  ? 42  ASN   A CA   1 ? 
ATOM   2319 C C    . ASN   B 1 30  ? -23.701 -21.091 -41.171 1   36.239  ? 42  ASN   A C    1 ? 
ATOM   2320 O O    . ASN   B 1 30  ? -23.784 -20.338 -40.211 1   40.486  ? 42  ASN   A O    1 ? 
ATOM   2321 C CB   . ASN   B 1 30  ? -23.756 -23.39  -40.196 1   40.734  ? 42  ASN   A CB   1 ? 
ATOM   2322 C CG   . ASN   B 1 30  ? -22.962 -24.598 -39.752 1   45.65   ? 42  ASN   A CG   1 ? 
ATOM   2323 O OD1  . ASN   B 1 30  ? -23.114 -25.075 -38.617 1   51.8    ? 42  ASN   A OD1  1 ? 
ATOM   2324 N ND2  . ASN   B 1 30  ? -22.137 -25.139 -40.634 1   46.61   ? 42  ASN   A ND2  1 ? 
ATOM   2325 H H    . ASN   B 1 30  ? -21.62  -21.987 -39.56  1   32.827  ? 42  ASN   A H    1 c 
ATOM   2326 H HA   . ASN   B 1 30  ? -22.825 -22.805 -41.939 1   35.848  ? 42  ASN   A HA   1 c 
ATOM   2327 H HB2  . ASN   B 1 30  ? -24.084 -22.922 -39.403 1   40.135  ? 42  ASN   A HB2  1 c 
ATOM   2328 H HB3  . ASN   B 1 30  ? -24.533 -23.693 -40.706 1   39.696  ? 42  ASN   A HB3  1 c 
ATOM   2329 H HD21 . ASN   B 1 30  ? -21.497 -25.689 -40.355 1   46.688  ? 42  ASN   A HD21 1 c 
ATOM   2330 H HD22 . ASN   B 1 30  ? -22.224 -24.962 -41.499 1   46.378  ? 42  ASN   A HD22 1 c 
ATOM   2331 N N    . GLY   B 1 31  ? -24.181 -20.782 -42.382 1   33.415  ? 43  GLY   A N    1 ? 
ATOM   2332 C CA   . GLY   B 1 31  ? -25.151 -19.727 -42.568 1   37.659  ? 43  GLY   A CA   1 ? 
ATOM   2333 C C    . GLY   B 1 31  ? -24.545 -18.34  -42.406 1   34.807  ? 43  GLY   A C    1 ? 
ATOM   2334 O O    . GLY   B 1 31  ? -23.409 -18.108 -42.8   1   40.487  ? 43  GLY   A O    1 ? 
ATOM   2335 H H    . GLY   B 1 31  ? -23.889 -21.245 -43.114 1   33.718  ? 43  GLY   A H    1 c 
ATOM   2336 H HA2  . GLY   B 1 31  ? -25.542 -19.809 -43.469 1   36.872  ? 43  GLY   A HA2  1 c 
ATOM   2337 H HA3  . GLY   B 1 31  ? -25.878 -19.845 -41.913 1   36.028  ? 43  GLY   A HA3  1 c 
ATOM   2338 N N    . GLU   B 1 32  ? -25.359 -17.41  -41.892 1   34.063  ? 44  GLU   A N    1 ? 
ATOM   2339 C CA   . GLU   B 1 32  ? -24.987 -16.016 -41.794 1   34.568  ? 44  GLU   A CA   1 ? 
ATOM   2340 C C    . GLU   B 1 32  ? -24.942 -15.518 -40.348 1   30.365  ? 44  GLU   A C    1 ? 
ATOM   2341 O O    . GLU   B 1 32  ? -24.194 -14.596 -40.075 1   31.189  ? 44  GLU   A O    1 ? 
ATOM   2342 C CB   . GLU   B 1 32  ? -26.017 -15.18  -42.543 1   32.785  ? 44  GLU   A CB   1 ? 
ATOM   2343 H H    . GLU   B 1 32  ? -26.186 -17.662 -41.598 1   34.245  ? 44  GLU   A H    1 c 
ATOM   2344 H HA   . GLU   B 1 32  ? -24.095 -15.889 -42.207 1   33.494  ? 44  GLU   A HA   1 c 
ATOM   2345 H HB2  . GLU   B 1 32  ? -25.518 -14.58  -43.184 0   32.2    ? 44  GLU   A HB2  1 c 
ATOM   2346 H HB3  . GLU   B 1 32  ? -26.905 -15.467 -42.326 0   32.2    ? 44  GLU   A HB3  1 c 
ATOM   2347 N N    . GLU   B 1 33  ? -25.691 -16.097 -39.403 1   29.173  ? 45  GLU   A N    1 ? 
ATOM   2348 C CA   . GLU   B 1 33  ? -25.826 -15.448 -38.099 1   28.548  ? 45  GLU   A CA   1 ? 
ATOM   2349 C C    . GLU   B 1 33  ? -24.538 -15.537 -37.286 1   28.083  ? 45  GLU   A C    1 ? 
ATOM   2350 O O    . GLU   B 1 33  ? -23.835 -16.553 -37.271 1   28.624  ? 45  GLU   A O    1 ? 
ATOM   2351 C CB   . GLU   B 1 33  ? -26.916 -15.96  -37.159 1   31.99   ? 45  GLU   A CB   1 ? 
ATOM   2352 H H    . GLU   B 1 33  ? -26.116 -16.89  -39.56  1   29.362  ? 45  GLU   A H    1 c 
ATOM   2353 H HA   . GLU   B 1 33  ? -26.019 -14.49  -38.264 1   28.789  ? 45  GLU   A HA   1 c 
ATOM   2354 H HB2  . GLU   B 1 33  ? -26.507 -16.392 -36.397 0   31.67   ? 45  GLU   A HB2  1 c 
ATOM   2355 H HB3  . GLU   B 1 33  ? -27.797 -15.744 -37.565 0   31.67   ? 45  GLU   A HB3  1 c 
ATOM   2356 N N    . THR   B 1 34  ? -24.244 -14.418 -36.617 1   25.517  ? 46  THR   A N    1 ? 
ATOM   2357 C CA   . THR   B 1 34  ? -23.147 -14.311 -35.667 1   24.102  ? 46  THR   A CA   1 ? 
ATOM   2358 C C    . THR   B 1 34  ? -23.7   -13.788 -34.353 1   24.738  ? 46  THR   A C    1 ? 
ATOM   2359 O O    . THR   B 1 34  ? -24.765 -13.165 -34.347 1   27.409  ? 46  THR   A O    1 ? 
ATOM   2360 C CB   . THR   B 1 34  ? -22.077 -13.374 -36.215 1   24.808  ? 46  THR   A CB   1 ? 
ATOM   2361 O OG1  . THR   B 1 34  ? -22.673 -12.079 -36.332 1   24.283  ? 46  THR   A OG1  1 ? 
ATOM   2362 C CG2  . THR   B 1 34  ? -21.574 -13.879 -37.548 1   26.694  ? 46  THR   A CG2  1 ? 
ATOM   2363 H H    . THR   B 1 34  ? -24.76  -13.678 -36.759 1   25.405  ? 46  THR   A H    1 c 
ATOM   2364 H HA   . THR   B 1 34  ? -22.756 -15.2   -35.527 1   24.446  ? 46  THR   A HA   1 c 
ATOM   2365 H HB   . THR   B 1 34  ? -21.32  -13.329 -35.584 1   24.8    ? 46  THR   A HB   1 c 
ATOM   2366 H HG1  . THR   B 1 34  ? -23.354 -12.116 -36.858 0   23.84   ? 46  THR   A HG1  1 c 
ATOM   2367 H HG21 . THR   B 1 34  ? -20.852 -13.308 -37.86  1   26.235  ? 46  THR   A HG21 1 c 
ATOM   2368 H HG22 . THR   B 1 34  ? -22.298 -13.866 -38.197 1   26.392  ? 46  THR   A HG22 1 c 
ATOM   2369 H HG23 . THR   B 1 34  ? -21.247 -14.789 -37.449 1   26.283  ? 46  THR   A HG23 1 c 
ATOM   2370 N N    . PRO   B 1 35  ? -23.038 -14.062 -33.213 1   22.297  ? 47  PRO   A N    1 ? 
ATOM   2371 C CA   . PRO   B 1 35  ? -23.648 -13.809 -31.922 1   23.094  ? 47  PRO   A CA   1 ? 
ATOM   2372 C C    . PRO   B 1 35  ? -23.782 -12.343 -31.552 1   20.625  ? 47  PRO   A C    1 ? 
ATOM   2373 O O    . PRO   B 1 35  ? -22.97  -11.495 -31.927 1   20.63   ? 47  PRO   A O    1 ? 
ATOM   2374 C CB   . PRO   B 1 35  ? -22.757 -14.53  -30.924 1   22.402  ? 47  PRO   A CB   1 ? 
ATOM   2375 C CG   . PRO   B 1 35  ? -21.451 -14.753 -31.638 1   23.312  ? 47  PRO   A CG   1 ? 
ATOM   2376 C CD   . PRO   B 1 35  ? -21.748 -14.789 -33.118 1   21.233  ? 47  PRO   A CD   1 ? 
ATOM   2377 H HA   . PRO   B 1 35  ? -24.536 -14.225 -31.907 1   22.416  ? 47  PRO   A HA   1 c 
ATOM   2378 H HB2  . PRO   B 1 35  ? -22.627 -13.991 -30.121 1   22.639  ? 47  PRO   A HB2  1 c 
ATOM   2379 H HB3  . PRO   B 1 35  ? -23.155 -15.383 -30.661 1   22.605  ? 47  PRO   A HB3  1 c 
ATOM   2380 H HG2  . PRO   B 1 35  ? -20.826 -14.029 -31.437 1   22.769  ? 47  PRO   A HG2  1 c 
ATOM   2381 H HG3  . PRO   B 1 35  ? -21.047 -15.597 -31.355 1   22.794  ? 47  PRO   A HG3  1 c 
ATOM   2382 H HD2  . PRO   B 1 35  ? -21.053 -14.333 -33.63  1   21.733  ? 47  PRO   A HD2  1 c 
ATOM   2383 H HD3  . PRO   B 1 35  ? -21.841 -15.706 -33.441 1   21.78   ? 47  PRO   A HD3  1 c 
ATOM   2384 N N    . MET   B 1 36  ? -24.821 -12.079 -30.77  1   20.773  ? 48  MET   A N    1 ? 
ATOM   2385 C CA   . MET   B 1 36  ? -25.093 -10.74  -30.28  1   20.735  ? 48  MET   A CA   1 ? 
ATOM   2386 C C    . MET   B 1 36  ? -24.531 -10.564 -28.875 1   18.916  ? 48  MET   A C    1 ? 
ATOM   2387 O O    . MET   B 1 36  ? -24.404 -11.528 -28.101 1   19.207  ? 48  MET   A O    1 ? 
ATOM   2388 C CB   . MET   B 1 36  ? -26.603 -10.486 -30.166 1   23.353  ? 48  MET   A CB   1 ? 
ATOM   2389 C CG   . MET   B 1 36  ? -27.357 -10.539 -31.456 1   25.208  ? 48  MET   A CG   1 ? 
ATOM   2390 S SD   . MET   B 1 36  ? -26.852 -9.232  -32.586 1   24.556  ? 48  MET   A SD   1 ? 
ATOM   2391 C CE   . MET   B 1 36  ? -27.824 -9.742  -34.005 1   27.378  ? 48  MET   A CE   1 ? 
ATOM   2392 H H    . MET   B 1 36  ? -25.388 -12.756 -30.534 1   20.7    ? 48  MET   A H    1 c 
ATOM   2393 H HA   . MET   B 1 36  ? -24.68  -10.077 -30.888 1   20.66   ? 48  MET   A HA   1 c 
ATOM   2394 H HB2  . MET   B 1 36  ? -26.983 -11.151 -29.553 1   23.18   ? 48  MET   A HB2  1 c 
ATOM   2395 H HB3  . MET   B 1 36  ? -26.738 -9.602  -29.761 1   23.242  ? 48  MET   A HB3  1 c 
ATOM   2396 H HG2  . MET   B 1 36  ? -27.207 -11.405 -31.886 1   24.601  ? 48  MET   A HG2  1 c 
ATOM   2397 H HG3  . MET   B 1 36  ? -28.315 -10.452 -31.278 1   24.83   ? 48  MET   A HG3  1 c 
ATOM   2398 H HE1  . MET   B 1 36  ? -27.675 -9.12   -34.741 1   26.957  ? 48  MET   A HE1  1 c 
ATOM   2399 H HE2  . MET   B 1 36  ? -27.555 -10.639 -34.277 1   26.98   ? 48  MET   A HE2  1 c 
ATOM   2400 H HE3  . MET   B 1 36  ? -28.769 -9.745  -33.767 1   26.842  ? 48  MET   A HE3  1 c 
ATOM   2401 N N    . ILE   B 1 37  ? -24.258 -9.313  -28.536 1   17.277  ? 49  ILE   A N    1 ? 
ATOM   2402 C CA   . ILE   B 1 37  ? -23.881 -9.033  -27.157 1   16.798  ? 49  ILE   A CA   1 ? 
ATOM   2403 C C    . ILE   B 1 37  ? -24.964 -9.571  -26.236 1   18.203  ? 49  ILE   A C    1 ? 
ATOM   2404 O O    . ILE   B 1 37  ? -26.14  -9.31   -26.449 1   19.558  ? 49  ILE   A O    1 ? 
ATOM   2405 C CB   . ILE   B 1 37  ? -23.647 -7.542  -26.946 1   17.734  ? 49  ILE   A CB   1 ? 
ATOM   2406 C CG1  . ILE   B 1 37  ? -22.433 -7.066  -27.753 1   21.037  ? 49  ILE   A CG1  1 ? 
ATOM   2407 C CG2  . ILE   B 1 37  ? -23.56  -7.188  -25.464 1   17.918  ? 49  ILE   A CG2  1 ? 
ATOM   2408 C CD1  . ILE   B 1 37  ? -22.282 -5.573  -27.778 1   24.676  ? 49  ILE   A CD1  1 ? 
ATOM   2409 H H    . ILE   B 1 37  ? -24.313 -8.633  -29.145 1   17.37   ? 49  ILE   A H    1 c 
ATOM   2410 H HA   . ILE   B 1 37  ? -23.046 -9.503  -26.968 1   17.152  ? 49  ILE   A HA   1 c 
ATOM   2411 H HB   . ILE   B 1 37  ? -24.428 -7.077  -27.308 1   17.927  ? 49  ILE   A HB   1 c 
ATOM   2412 H HG12 . ILE   B 1 37  ? -21.623 -7.459  -27.366 1   20.948  ? 49  ILE   A HG12 1 c 
ATOM   2413 H HG13 . ILE   B 1 37  ? -22.514 -7.39   -28.673 1   20.517  ? 49  ILE   A HG13 1 c 
ATOM   2414 H HG21 . ILE   B 1 37  ? -23.382 -6.239  -25.363 1   18.02   ? 49  ILE   A HG21 1 c 
ATOM   2415 H HG22 . ILE   B 1 37  ? -22.842 -7.696  -25.049 1   17.886  ? 49  ILE   A HG22 1 c 
ATOM   2416 H HG23 . ILE   B 1 37  ? -24.4   -7.402  -25.025 1   17.891  ? 49  ILE   A HG23 1 c 
ATOM   2417 H HD11 . ILE   B 1 37  ? -23.113 -5.174  -28.1   1   23.724  ? 49  ILE   A HD11 1 c 
ATOM   2418 H HD12 . ILE   B 1 37  ? -21.552 -5.329  -28.378 1   23.795  ? 49  ILE   A HD12 1 c 
ATOM   2419 H HD13 . ILE   B 1 37  ? -22.089 -5.24   -26.882 1   23.861  ? 49  ILE   A HD13 1 c 
ATOM   2420 N N    . GLY   B 1 38  ? -24.494 -10.279 -25.222 1   19.168  ? 50  GLY   A N    1 ? 
ATOM   2421 C CA   . GLY   B 1 38  ? -25.337 -10.924 -24.217 1   20.057  ? 50  GLY   A CA   1 ? 
ATOM   2422 C C    . GLY   B 1 38  ? -25.591 -12.412 -24.486 1   22.899  ? 50  GLY   A C    1 ? 
ATOM   2423 O O    . GLY   B 1 38  ? -26.071 -13.148 -23.594 1   24.727  ? 50  GLY   A O    1 ? 
ATOM   2424 H H    . GLY   B 1 38  ? -23.588 -10.369 -25.139 1   19.06   ? 50  GLY   A H    1 c 
ATOM   2425 H HA2  . GLY   B 1 38  ? -24.905 -10.827 -23.336 1   20.41   ? 50  GLY   A HA2  1 c 
ATOM   2426 H HA3  . GLY   B 1 38  ? -26.201 -10.453 -24.176 1   20.323  ? 50  GLY   A HA3  1 c 
ATOM   2427 N N    . ASP   B 1 39  ? -25.333 -12.851 -25.721 1   21.888  ? 51  ASP   A N    1 ? 
ATOM   2428 C CA   . ASP   B 1 39  ? -25.507 -14.266 -26.05  1   23.789  ? 51  ASP   A CA   1 ? 
ATOM   2429 C C    . ASP   B 1 39  ? -24.545 -15.144 -25.255 1   23.897  ? 51  ASP   A C    1 ? 
ATOM   2430 O O    . ASP   B 1 39  ? -23.419 -14.753 -24.972 1   22.864  ? 51  ASP   A O    1 ? 
ATOM   2431 C CB   . ASP   B 1 39  ? -25.348 -14.51  -27.533 1   22.882  ? 51  ASP   A CB   1 ? 
ATOM   2432 C CG   . ASP   B 1 39  ? -26.493 -14.081 -28.43  1   22.753  ? 51  ASP   A CG   1 ? 
ATOM   2433 O OD1  . ASP   B 1 39  ? -27.543 -13.641 -27.894 1   25.622  ? 51  ASP   A OD1  1 ? 
ATOM   2434 O OD2  . ASP   B 1 39  ? -26.282 -14.156 -29.665 1   24.974  ? 51  ASP   A OD2  1 ? 
ATOM   2435 H H    . ASP   B 1 39  ? -25.049 -12.274 -26.37  1   22.304  ? 51  ASP   A H    1 c 
ATOM   2436 H HA   . ASP   B 1 39  ? -26.426 -14.521 -25.809 1   23.425  ? 51  ASP   A HA   1 c 
ATOM   2437 H HB2  . ASP   B 1 39  ? -24.536 -14.056 -27.838 1   23.123  ? 51  ASP   A HB2  1 c 
ATOM   2438 H HB3  . ASP   B 1 39  ? -25.215 -15.471 -27.671 1   22.95   ? 51  ASP   A HB3  1 c 
ATOM   2439 N N    . LYS   B 1 40  ? -25.021 -16.353 -24.9   1   26.163  ? 52  LYS   A N    1 ? 
ATOM   2440 C CA   . LYS   B 1 40  ? -24.16  -17.353 -24.293 1   25.739  ? 52  LYS   A CA   1 ? 
ATOM   2441 C C    . LYS   B 1 40  ? -23.452 -18.09  -25.417 1   23.612  ? 52  LYS   A C    1 ? 
ATOM   2442 O O    . LYS   B 1 40  ? -24.105 -18.632 -26.308 1   27.131  ? 52  LYS   A O    1 ? 
ATOM   2443 C CB   . LYS   B 1 40  ? -25.015 -18.29  -23.428 1   29.216  ? 52  LYS   A CB   1 ? 
ATOM   2444 C CG   . LYS   B 1 40  ? -24.284 -19.286 -22.625 1   33.326  ? 52  LYS   A CG   1 ? 
ATOM   2445 C CD   . LYS   B 1 40  ? -25.23  -20.06  -21.706 1   39.527  ? 52  LYS   A CD   1 ? 
ATOM   2446 C CE   . LYS   B 1 40  ? -24.612 -21.33  -21.337 1   40.876  ? 52  LYS   A CE   1 ? 
ATOM   2447 N NZ   . LYS   B 1 40  ? -25.423 -22.095 -20.398 1   47.9    ? 52  LYS   A NZ   1 ? 
ATOM   2448 H H    . LYS   B 1 40  ? -25.901 -16.555 -25.043 1   25.513  ? 52  LYS   A H    1 c 
ATOM   2449 H HA   . LYS   B 1 40  ? -23.49  -16.897 -23.723 1   25.803  ? 52  LYS   A HA   1 c 
ATOM   2450 H HB2  . LYS   B 1 40  ? -25.553 -17.741 -22.818 1   29.006  ? 52  LYS   A HB2  1 c 
ATOM   2451 H HB3  . LYS   B 1 40  ? -25.637 -18.77  -24.016 1   29.062  ? 52  LYS   A HB3  1 c 
ATOM   2452 H HG2  . LYS   B 1 40  ? -23.828 -19.911 -23.229 1   33.284  ? 52  LYS   A HG2  1 c 
ATOM   2453 H HG3  . LYS   B 1 40  ? -23.606 -18.825 -22.086 1   33.223  ? 52  LYS   A HG3  1 c 
ATOM   2454 H HD2  . LYS   B 1 40  ? -25.406 -19.534 -20.895 1   38.275  ? 52  LYS   A HD2  1 c 
ATOM   2455 H HD3  . LYS   B 1 40  ? -26.08  -20.229 -22.167 1   38.435  ? 52  LYS   A HD3  1 c 
ATOM   2456 H HE2  . LYS   B 1 40  ? -24.454 -21.858 -22.134 1   41.607  ? 52  LYS   A HE2  1 c 
ATOM   2457 H HE3  . LYS   B 1 40  ? -23.752 -21.149 -20.92  1   41.378  ? 52  LYS   A HE3  1 c 
ATOM   2458 H HZ1  . LYS   B 1 40  ? -26.258 -22.208 -20.731 1   46.201  ? 52  LYS   A HZ1  1 c 
ATOM   2459 H HZ2  . LYS   B 1 40  ? -25.475 -21.652 -19.609 1   45.879  ? 52  LYS   A HZ2  1 c 
ATOM   2460 H HZ3  . LYS   B 1 40  ? -25.046 -22.907 -20.257 1   46.231  ? 52  LYS   A HZ3  1 c 
ATOM   2461 N N    . VAL   B 1 41  ? -22.117 -18.082 -25.377 1   24.475  ? 53  VAL   A N    1 ? 
ATOM   2462 C CA   . VAL   B 1 41  ? -21.301 -18.648 -26.434 1   22.919  ? 53  VAL   A CA   1 ? 
ATOM   2463 C C    . VAL   B 1 41  ? -20.546 -19.86  -25.898 1   23.117  ? 53  VAL   A C    1 ? 
ATOM   2464 O O    . VAL   B 1 41  ? -20.048 -19.83  -24.771 1   24.382  ? 53  VAL   A O    1 ? 
ATOM   2465 C CB   . VAL   B 1 41  ? -20.35  -17.551 -26.941 1   25.082  ? 53  VAL   A CB   1 ? 
ATOM   2466 C CG1  . VAL   B 1 41  ? -19.395 -18.056 -27.987 1   26.205  ? 53  VAL   A CG1  1 ? 
ATOM   2467 C CG2  . VAL   B 1 41  ? -21.149 -16.405 -27.548 1   24.157  ? 53  VAL   A CG2  1 ? 
ATOM   2468 H H    . VAL   B 1 41  ? -21.697 -17.71  -24.655 1   24.203  ? 53  VAL   A H    1 c 
ATOM   2469 H HA   . VAL   B 1 41  ? -21.88  -18.93  -27.168 1   23.05   ? 53  VAL   A HA   1 c 
ATOM   2470 H HB   . VAL   B 1 41  ? -19.837 -17.215 -26.169 1   24.881  ? 53  VAL   A HB   1 c 
ATOM   2471 H HG11 . VAL   B 1 41  ? -19.898 -18.436 -28.723 1   25.92   ? 53  VAL   A HG11 1 c 
ATOM   2472 H HG12 . VAL   B 1 41  ? -18.818 -18.736 -27.603 1   26.237  ? 53  VAL   A HG12 1 c 
ATOM   2473 H HG13 . VAL   B 1 41  ? -18.854 -17.32  -28.312 1   25.776  ? 53  VAL   A HG13 1 c 
ATOM   2474 H HG21 . VAL   B 1 41  ? -20.539 -15.731 -27.894 1   24.277  ? 53  VAL   A HG21 1 c 
ATOM   2475 H HG22 . VAL   B 1 41  ? -21.716 -16.005 -26.867 1   24.421  ? 53  VAL   A HG22 1 c 
ATOM   2476 H HG23 . VAL   B 1 41  ? -21.702 -16.742 -28.272 1   24.398  ? 53  VAL   A HG23 1 c 
ATOM   2477 N N    . TYR   B 1 42  ? -20.454 -20.892 -26.739 1   23.47   ? 54  TYR   A N    1 ? 
ATOM   2478 C CA   . TYR   B 1 42  ? -19.756 -22.134 -26.448 1   23.723  ? 54  TYR   A CA   1 ? 
ATOM   2479 C C    . TYR   B 1 42  ? -18.645 -22.293 -27.47  1   23.874  ? 54  TYR   A C    1 ? 
ATOM   2480 O O    . TYR   B 1 42  ? -18.926 -22.34  -28.676 1   25.291  ? 54  TYR   A O    1 ? 
ATOM   2481 C CB   . TYR   B 1 42  ? -20.694 -23.332 -26.621 1   28.027  ? 54  TYR   A CB   1 ? 
ATOM   2482 C CG   . TYR   B 1 42  ? -21.896 -23.319 -25.706 1   29.919  ? 54  TYR   A CG   1 ? 
ATOM   2483 C CD1  . TYR   B 1 42  ? -22.957 -22.437 -25.914 1   30.62   ? 54  TYR   A CD1  1 ? 
ATOM   2484 C CD2  . TYR   B 1 42  ? -21.981 -24.224 -24.658 1   32.792  ? 54  TYR   A CD2  1 ? 
ATOM   2485 C CE1  . TYR   B 1 42  ? -24.062 -22.45  -25.084 1   33.307  ? 54  TYR   A CE1  1 ? 
ATOM   2486 C CE2  . TYR   B 1 42  ? -23.087 -24.253 -23.834 1   36.936  ? 54  TYR   A CE2  1 ? 
ATOM   2487 C CZ   . TYR   B 1 42  ? -24.131 -23.376 -24.049 1   35.404  ? 54  TYR   A CZ   1 ? 
ATOM   2488 O OH   . TYR   B 1 42  ? -25.216 -23.436 -23.233 1   41.647  ? 54  TYR   A OH   1 ? 
ATOM   2489 H H    . TYR   B 1 42  ? -20.855 -20.814 -27.556 1   23.232  ? 54  TYR   A H    1 c 
ATOM   2490 H HA   . TYR   B 1 42  ? -19.383 -22.117 -25.527 1   24.323  ? 54  TYR   A HA   1 c 
ATOM   2491 H HB2  . TYR   B 1 42  ? -21.008 -23.351 -27.552 1   27.462  ? 54  TYR   A HB2  1 c 
ATOM   2492 H HB3  . TYR   B 1 42  ? -20.181 -24.155 -26.461 1   27.421  ? 54  TYR   A HB3  1 c 
ATOM   2493 H HD1  . TYR   B 1 42  ? -22.917 -21.818 -26.625 1   31.328  ? 54  TYR   A HD1  1 c 
ATOM   2494 H HD2  . TYR   B 1 42  ? -21.279 -24.839 -24.514 1   32.495  ? 54  TYR   A HD2  1 c 
ATOM   2495 H HE1  . TYR   B 1 42  ? -24.777 -21.856 -25.237 1   33.092  ? 54  TYR   A HE1  1 c 
ATOM   2496 H HE2  . TYR   B 1 42  ? -23.135 -24.877 -23.13  1   35.736  ? 54  TYR   A HE2  1 c 
ATOM   2497 H HH   . TYR   B 1 42  ? -25.803 -22.885 -23.477 0   41.49   ? 54  TYR   A HH   1 c 
ATOM   2498 N N    . VAL   B 1 43  ? -17.419 -22.488 -26.983 1   23.95   ? 55  VAL   A N    1 ? 
ATOM   2499 C CA   . VAL   B 1 43  ? -16.276 -22.642 -27.855 1   22.951  ? 55  VAL   A CA   1 ? 
ATOM   2500 C C    . VAL   B 1 43  ? -15.388 -23.785 -27.38  1   22.682  ? 55  VAL   A C    1 ? 
ATOM   2501 O O    . VAL   B 1 43  ? -15.37  -24.158 -26.2   1   25.366  ? 55  VAL   A O    1 ? 
ATOM   2502 C CB   . VAL   B 1 43  ? -15.432 -21.37  -28.011 1   22.775  ? 55  VAL   A CB   1 ? 
ATOM   2503 C CG1  . VAL   B 1 43  ? -16.287 -20.197 -28.449 1   21.591  ? 55  VAL   A CG1  1 ? 
ATOM   2504 C CG2  . VAL   B 1 43  ? -14.69  -20.987 -26.749 1   22.515  ? 55  VAL   A CG2  1 ? 
ATOM   2505 H H    . VAL   B 1 43  ? -17.292 -22.527 -26.078 1   23.864  ? 55  VAL   A H    1 c 
ATOM   2506 H HA   . VAL   B 1 43  ? -16.613 -22.881 -28.738 1   23.045  ? 55  VAL   A HA   1 c 
ATOM   2507 H HB   . VAL   B 1 43  ? -14.766 -21.544 -28.716 1   22.58   ? 55  VAL   A HB   1 c 
ATOM   2508 H HG11 . VAL   B 1 43  ? -16.941 -19.996 -27.759 1   21.868  ? 55  VAL   A HG11 1 c 
ATOM   2509 H HG12 . VAL   B 1 43  ? -16.746 -20.42  -29.275 1   21.905  ? 55  VAL   A HG12 1 c 
ATOM   2510 H HG13 . VAL   B 1 43  ? -15.721 -19.42  -28.593 1   21.925  ? 55  VAL   A HG13 1 c 
ATOM   2511 H HG21 . VAL   B 1 43  ? -14.221 -20.148 -26.891 1   22.541  ? 55  VAL   A HG21 1 c 
ATOM   2512 H HG22 . VAL   B 1 43  ? -14.047 -21.68  -26.524 1   22.549  ? 55  VAL   A HG22 1 c 
ATOM   2513 H HG23 . VAL   B 1 43  ? -15.323 -20.884 -26.018 1   22.613  ? 55  VAL   A HG23 1 c 
ATOM   2514 N N    . HIS   B 1 44  ? -14.601 -24.281 -28.345 1   25.195  ? 56  HIS   A N    1 ? 
ATOM   2515 C CA   . HIS   B 1 44  ? -13.32  -24.905 -28.04  1   24.143  ? 56  HIS   A CA   1 ? 
ATOM   2516 C C    . HIS   B 1 44  ? -12.198 -23.962 -28.45  1   22.003  ? 56  HIS   A C    1 ? 
ATOM   2517 O O    . HIS   B 1 44  ? -12.365 -23.227 -29.396 1   24.713  ? 56  HIS   A O    1 ? 
ATOM   2518 C CB   . HIS   B 1 44  ? -13.192 -26.3   -28.68  1   27.326  ? 56  HIS   A CB   1 ? 
ATOM   2519 C CG   . HIS   B 1 44  ? -13.686 -27.377 -27.777 1   30.683  ? 56  HIS   A CG   1 ? 
ATOM   2520 N ND1  . HIS   B 1 44  ? -13.133 -27.546 -26.52  1   32.464  ? 56  HIS   A ND1  1 ? 
ATOM   2521 C CD2  . HIS   B 1 44  ? -14.619 -28.315 -27.915 1   33.397  ? 56  HIS   A CD2  1 ? 
ATOM   2522 C CE1  . HIS   B 1 44  ? -13.758 -28.539 -25.915 1   34.132  ? 56  HIS   A CE1  1 ? 
ATOM   2523 N NE2  . HIS   B 1 44  ? -14.644 -29.033 -26.749 1   36.103  ? 56  HIS   A NE2  1 ? 
ATOM   2524 H H    . HIS   B 1 44  ? -14.871 -24.233 -29.217 1   24.535  ? 56  HIS   A H    1 c 
ATOM   2525 H HA   . HIS   B 1 44  ? -13.275 -25.015 -27.061 1   24.306  ? 56  HIS   A HA   1 c 
ATOM   2526 H HB2  . HIS   B 1 44  ? -13.708 -26.316 -29.515 1   27.187  ? 56  HIS   A HB2  1 c 
ATOM   2527 H HB3  . HIS   B 1 44  ? -12.248 -26.467 -28.895 1   27.277  ? 56  HIS   A HB3  1 c 
ATOM   2528 H HD1  . HIS   B 1 44  ? -12.49  -27.061 -26.156 0   32.76   ? 56  HIS   A HD1  1 c 
ATOM   2529 H HD2  . HIS   B 1 44  ? -15.166 -28.46  -28.662 1   33.299  ? 56  HIS   A HD2  1 c 
ATOM   2530 H HE1  . HIS   B 1 44  ? -13.567 -28.866 -25.054 1   34.346  ? 56  HIS   A HE1  1 c 
ATOM   2531 H HE2  . HIS   B 1 44  ? -15.163 -29.727 -26.573 0   35.54   ? 56  HIS   A HE2  1 c 
ATOM   2532 N N    . TYR   B 1 45  ? -11.063 -23.97  -27.736 1   23.215  ? 57  TYR   A N    1 ? 
ATOM   2533 C CA   . TYR   B 1 45  ? -9.975  -23.083 -28.076 1   22.003  ? 57  TYR   A CA   1 ? 
ATOM   2534 C C    . TYR   B 1 45  ? -8.632  -23.649 -27.6   1   20.81   ? 57  TYR   A C    1 ? 
ATOM   2535 O O    . TYR   B 1 45  ? -8.554  -24.455 -26.669 1   22.688  ? 57  TYR   A O    1 ? 
ATOM   2536 C CB   . TYR   B 1 45  ? -10.154 -21.672 -27.491 1   19.548  ? 57  TYR   A CB   1 ? 
ATOM   2537 C CG   . TYR   B 1 45  ? -9.862  -21.61  -25.996 1   18.34   ? 57  TYR   A CG   1 ? 
ATOM   2538 C CD1  . TYR   B 1 45  ? -10.849 -21.856 -25.067 1   20.267  ? 57  TYR   A CD1  1 ? 
ATOM   2539 C CD2  . TYR   B 1 45  ? -8.595  -21.313 -25.546 1   17.831  ? 57  TYR   A CD2  1 ? 
ATOM   2540 C CE1  . TYR   B 1 45  ? -10.568 -21.838 -23.705 1   19.274  ? 57  TYR   A CE1  1 ? 
ATOM   2541 C CE2  . TYR   B 1 45  ? -8.289  -21.339 -24.195 1   18.808  ? 57  TYR   A CE2  1 ? 
ATOM   2542 C CZ   . TYR   B 1 45  ? -9.289  -21.565 -23.271 1   18.913  ? 57  TYR   A CZ   1 ? 
ATOM   2543 O OH   . TYR   B 1 45  ? -9.037  -21.579 -21.921 1   20.858  ? 57  TYR   A OH   1 ? 
ATOM   2544 H H    . TYR   B 1 45  ? -10.973 -24.539 -27.026 1   22.656  ? 57  TYR   A H    1 c 
ATOM   2545 H HA   . TYR   B 1 45  ? -9.944  -23.006 -29.063 1   21.688  ? 57  TYR   A HA   1 c 
ATOM   2546 H HB2  . TYR   B 1 45  ? -9.549  -21.056 -27.962 1   19.753  ? 57  TYR   A HB2  1 c 
ATOM   2547 H HB3  . TYR   B 1 45  ? -11.078 -21.378 -27.651 1   19.855  ? 57  TYR   A HB3  1 c 
ATOM   2548 H HD1  . TYR   B 1 45  ? -11.725 -22.054 -25.358 1   19.634  ? 57  TYR   A HD1  1 c 
ATOM   2549 H HD2  . TYR   B 1 45  ? -7.903  -21.173 -26.173 1   17.98   ? 57  TYR   A HD2  1 c 
ATOM   2550 H HE1  . TYR   B 1 45  ? -11.249 -22.017 -23.079 1   19.259  ? 57  TYR   A HE1  1 c 
ATOM   2551 H HE2  . TYR   B 1 45  ? -7.416  -21.137 -23.906 1   18.517  ? 57  TYR   A HE2  1 c 
ATOM   2552 H HH   . TYR   B 1 45  ? -9.758  -21.775 -21.488 0   20.99   ? 57  TYR   A HH   1 c 
ATOM   2553 N N    . LYS   B 1 46  ? -7.584  -23.176 -28.274 1   21.607  ? 58  LYS   A N    1 ? 
ATOM   2554 C CA   . LYS   B 1 46  ? -6.222  -23.265 -27.818 1   22.565  ? 58  LYS   A CA   1 ? 
ATOM   2555 C C    . LYS   B 1 46  ? -5.622  -21.891 -27.865 1   21.613  ? 58  LYS   A C    1 ? 
ATOM   2556 O O    . LYS   B 1 46  ? -5.843  -21.157 -28.805 1   23.123  ? 58  LYS   A O    1 ? 
ATOM   2557 C CB   . LYS   B 1 46  ? -5.302  -24.036 -28.787 1   25.196  ? 58  LYS   A CB   1 ? 
ATOM   2558 C CG   . LYS   B 1 46  ? -5.832  -25.324 -29.178 1   23.715  ? 58  LYS   A CG   1 ? 
ATOM   2559 C CD   . LYS   B 1 46  ? -4.865  -26.268 -29.9   1   26.295  ? 58  LYS   A CD   1 ? 
ATOM   2560 C CE   . LYS   B 1 46  ? -5.499  -27.512 -30.284 1   26.167  ? 58  LYS   A CE   1 ? 
ATOM   2561 N NZ   . LYS   B 1 46  ? -4.536  -28.483 -30.79  1   21.644  ? 58  LYS   A NZ   1 ? 
ATOM   2562 H H    . LYS   B 1 46  ? -7.738  -22.771 -29.079 1   21.754  ? 58  LYS   A H    1 c 
ATOM   2563 H HA   . LYS   B 1 46  ? -6.193  -23.631 -26.899 1   22.483  ? 58  LYS   A HA   1 c 
ATOM   2564 H HB2  . LYS   B 1 46  ? -5.159  -23.499 -29.596 1   24.516  ? 58  LYS   A HB2  1 c 
ATOM   2565 H HB3  . LYS   B 1 46  ? -4.429  -24.173 -28.359 1   24.356  ? 58  LYS   A HB3  1 c 
ATOM   2566 H HG2  . LYS   B 1 46  ? -6.164  -25.774 -28.371 1   24.345  ? 58  LYS   A HG2  1 c 
ATOM   2567 H HG3  . LYS   B 1 46  ? -6.607  -25.169 -29.762 1   24.245  ? 58  LYS   A HG3  1 c 
ATOM   2568 H HD2  . LYS   B 1 46  ? -4.516  -25.823 -30.702 1   25.81   ? 58  LYS   A HD2  1 c 
ATOM   2569 H HD3  . LYS   B 1 46  ? -4.109  -26.465 -29.306 1   26.037  ? 58  LYS   A HD3  1 c 
ATOM   2570 H HE2  . LYS   B 1 46  ? -5.96   -27.894 -29.516 1   25.109  ? 58  LYS   A HE2  1 c 
ATOM   2571 H HE3  . LYS   B 1 46  ? -6.16   -27.336 -30.977 1   25.095  ? 58  LYS   A HE3  1 c 
ATOM   2572 H HZ1  . LYS   B 1 46  ? -3.945  -28.693 -30.138 1   22.324  ? 58  LYS   A HZ1  1 c 
ATOM   2573 H HZ2  . LYS   B 1 46  ? -4.089  -28.134 -31.497 1   22.448  ? 58  LYS   A HZ2  1 c 
ATOM   2574 H HZ3  . LYS   B 1 46  ? -4.968  -29.235 -31.053 1   22.263  ? 58  LYS   A HZ3  1 c 
ATOM   2575 N N    . GLY   B 1 47  ? -4.84   -21.582 -26.846 1   20.087  ? 59  GLY   A N    1 ? 
ATOM   2576 C CA   . GLY   B 1 47  ? -4.198  -20.304 -26.77  1   20.685  ? 59  GLY   A CA   1 ? 
ATOM   2577 C C    . GLY   B 1 47  ? -2.752  -20.477 -26.343 1   20.155  ? 59  GLY   A C    1 ? 
ATOM   2578 O O    . GLY   B 1 47  ? -2.41   -21.415 -25.616 1   21.264  ? 59  GLY   A O    1 ? 
ATOM   2579 H H    . GLY   B 1 47  ? -4.703  -22.188 -26.175 1   20.59   ? 59  GLY   A H    1 c 
ATOM   2580 H HA2  . GLY   B 1 47  ? -4.237  -19.864 -27.648 1   20.295  ? 59  GLY   A HA2  1 c 
ATOM   2581 H HA3  . GLY   B 1 47  ? -4.673  -19.737 -26.119 1   20.604  ? 59  GLY   A HA3  1 c 
ATOM   2582 N N    . LYS   B 1 48  ? -1.955  -19.514 -26.755 1   19.106  ? 60  LYS   A N    1 ? 
ATOM   2583 C CA   . LYS   B 1 48  ? -0.56   -19.507 -26.388 1   18.275  ? 60  LYS   A CA   1 ? 
ATOM   2584 C C    . LYS   B 1 48  ? -0.04   -18.083 -26.454 1   19.443  ? 60  LYS   A C    1 ? 
ATOM   2585 O O    . LYS   B 1 48  ? -0.599  -17.217 -27.129 1   20.121  ? 60  LYS   A O    1 ? 
ATOM   2586 C CB   . LYS   B 1 48  ? 0.28    -20.448 -27.225 1   20.1    ? 60  LYS   A CB   1 ? 
ATOM   2587 C CG   . LYS   B 1 48  ? 0.368   -20.096 -28.703 1   21.619  ? 60  LYS   A CG   1 ? 
ATOM   2588 C CD   . LYS   B 1 48  ? 1.34    -21.004 -29.458 1   26.39   ? 60  LYS   A CD   1 ? 
ATOM   2589 C CE   . LYS   B 1 48  ? 1.398   -20.706 -30.887 1   32.665  ? 60  LYS   A CE   1 ? 
ATOM   2590 N NZ   . LYS   B 1 48  ? 2.57    -21.368 -31.457 1   37.119  ? 60  LYS   A NZ   1 ? 
ATOM   2591 H H    . LYS   B 1 48  ? -2.282  -18.84  -27.279 1   19.006  ? 60  LYS   A H    1 c 
ATOM   2592 H HA   . LYS   B 1 48  ? -0.496  -19.807 -25.447 1   18.726  ? 60  LYS   A HA   1 c 
ATOM   2593 H HB2  . LYS   B 1 48  ? 1.189   -20.465 -26.857 1   19.765  ? 60  LYS   A HB2  1 c 
ATOM   2594 H HB3  . LYS   B 1 48  ? -0.089  -21.353 -27.144 1   19.96   ? 60  LYS   A HB3  1 c 
ATOM   2595 H HG2  . LYS   B 1 48  ? -0.526  -20.177 -29.102 1   21.884  ? 60  LYS   A HG2  1 c 
ATOM   2596 H HG3  . LYS   B 1 48  ? 0.661   -19.164 -28.793 1   21.897  ? 60  LYS   A HG3  1 c 
ATOM   2597 H HD2  . LYS   B 1 48  ? 2.237   -20.899 -29.072 1   26.304  ? 60  LYS   A HD2  1 c 
ATOM   2598 H HD3  . LYS   B 1 48  ? 1.066   -21.938 -29.337 1   25.97   ? 60  LYS   A HD3  1 c 
ATOM   2599 H HE2  . LYS   B 1 48  ? 0.594   -21.029 -31.331 1   31.803  ? 60  LYS   A HE2  1 c 
ATOM   2600 H HE3  . LYS   B 1 48  ? 1.469   -19.744 -31.027 1   31.764  ? 60  LYS   A HE3  1 c 
ATOM   2601 H HZ1  . LYS   B 1 48  ? 2.531   -22.259 -31.295 1   36.043  ? 60  LYS   A HZ1  1 c 
ATOM   2602 H HZ2  . LYS   B 1 48  ? 3.327   -21.031 -31.091 1   35.784  ? 60  LYS   A HZ2  1 c 
ATOM   2603 H HZ3  . LYS   B 1 48  ? 2.59    -21.232 -32.353 1   36.214  ? 60  LYS   A HZ3  1 c 
ATOM   2604 N N    . LEU   B 1 49  ? 1.024   -17.853 -25.671 1   20.106  ? 61  LEU   A N    1 ? 
ATOM   2605 C CA   . LEU   B 1 49  ? 1.806   -16.661 -25.883 1   21.845  ? 61  LEU   A CA   1 ? 
ATOM   2606 C C    . LEU   B 1 49  ? 2.473   -16.832 -27.235 1   26.97   ? 61  LEU   A C    1 ? 
ATOM   2607 O O    . LEU   B 1 49  ? 2.859   -17.934 -27.605 1   28.415  ? 61  LEU   A O    1 ? 
ATOM   2608 C CB   . LEU   B 1 49  ? 2.793   -16.481 -24.749 1   24.627  ? 61  LEU   A CB   1 ? 
ATOM   2609 C CG   . LEU   B 1 49  ? 2.165   -16.408 -23.36  1   26.824  ? 61  LEU   A CG   1 ? 
ATOM   2610 C CD1  . LEU   B 1 49  ? 3.213   -16.315 -22.26  1   31.595  ? 61  LEU   A CD1  1 ? 
ATOM   2611 C CD2  . LEU   B 1 49  ? 1.168   -15.25  -23.319 1   27.406  ? 61  LEU   A CD2  1 ? 
ATOM   2612 H H    . LEU   B 1 49  ? 1.265   -18.447 -25.019 1   20.254  ? 61  LEU   A H    1 c 
ATOM   2613 H HA   . LEU   B 1 49  ? 1.197   -15.881 -25.921 1   22.472  ? 61  LEU   A HA   1 c 
ATOM   2614 H HB2  . LEU   B 1 49  ? 3.426   -17.235 -24.767 1   24.299  ? 61  LEU   A HB2  1 c 
ATOM   2615 H HB3  . LEU   B 1 49  ? 3.299   -15.651 -24.908 1   24.286  ? 61  LEU   A HB3  1 c 
ATOM   2616 H HG   . LEU   B 1 49  ? 1.655   -17.245 -23.211 1   27.195  ? 61  LEU   A HG   1 c 
ATOM   2617 H HD11 . LEU   B 1 49  ? 3.785   -17.101 -22.29  1   30.543  ? 61  LEU   A HD11 1 c 
ATOM   2618 H HD12 . LEU   B 1 49  ? 2.774   -16.268 -21.395 1   30.697  ? 61  LEU   A HD12 1 c 
ATOM   2619 H HD13 . LEU   B 1 49  ? 3.754   -15.518 -22.393 1   30.283  ? 61  LEU   A HD13 1 c 
ATOM   2620 H HD21 . LEU   B 1 49  ? 0.419   -15.44  -23.908 1   27.345  ? 61  LEU   A HD21 1 c 
ATOM   2621 H HD22 . LEU   B 1 49  ? 1.608   -14.432 -23.608 1   27.275  ? 61  LEU   A HD22 1 c 
ATOM   2622 H HD23 . LEU   B 1 49  ? 0.842   -15.136 -22.41  1   26.823  ? 61  LEU   A HD23 1 c 
ATOM   2623 N N    . SER   B 1 50  ? 2.642   -15.733 -27.967 1   30.124  ? 62  SER   A N    1 ? 
ATOM   2624 C CA   . SER   B 1 50  ? 3.35    -15.784 -29.244 1   35.682  ? 62  SER   A CA   1 ? 
ATOM   2625 C C    . SER   B 1 50  ? 4.74    -16.436 -29.108 1   37.178  ? 62  SER   A C    1 ? 
ATOM   2626 O O    . SER   B 1 50  ? 5.214   -17.06  -30.044 1   52.492  ? 62  SER   A O    1 ? 
ATOM   2627 C CB   . SER   B 1 50  ? 3.429   -14.392 -29.853 1   36.668  ? 62  SER   A CB   1 ? 
ATOM   2628 O OG   . SER   B 1 50  ? 4.264   -13.557 -29.061 1   43.791  ? 62  SER   A OG   1 ? 
ATOM   2629 H H    . SER   B 1 50  ? 2.313   -14.933 -27.671 1   29.783  ? 62  SER   A H    1 c 
ATOM   2630 H HA   . SER   B 1 50  ? 2.815   -16.35  -29.856 1   34.72   ? 62  SER   A HA   1 c 
ATOM   2631 H HB2  . SER   B 1 50  ? 3.791   -14.453 -30.757 1   36.929  ? 62  SER   A HB2  1 c 
ATOM   2632 H HB3  . SER   B 1 50  ? 2.534   -14.007 -29.903 1   37.62   ? 62  SER   A HB3  1 c 
ATOM   2633 H HG   . SER   B 1 50  ? 4.321   -12.78  -29.335 0   42.91   ? 62  SER   A HG   1 c 
ATOM   2634 N N    . ASN   B 1 51  ? 5.343   -16.323 -27.913 1   45.067  ? 63  ASN   A N    1 ? 
ATOM   2635 C CA   . ASN   B 1 51  ? 6.626   -16.905 -27.552 1   51.065  ? 63  ASN   A CA   1 ? 
ATOM   2636 C C    . ASN   B 1 51  ? 6.548   -18.421 -27.308 1   56.972  ? 63  ASN   A C    1 ? 
ATOM   2637 O O    . ASN   B 1 51  ? 7.549   -19.117 -27.418 1   61.843  ? 63  ASN   A O    1 ? 
ATOM   2638 C CB   . ASN   B 1 51  ? 7.165   -16.22  -26.299 1   45.711  ? 63  ASN   A CB   1 ? 
ATOM   2639 H H    . ASN   B 1 51  ? 4.919   -15.822 -27.277 1   43.837  ? 63  ASN   A H    1 c 
ATOM   2640 H HA   . ASN   B 1 51  ? 7.261   -16.734 -28.284 1   50.246  ? 63  ASN   A HA   1 c 
ATOM   2641 H HB2  . ASN   B 1 51  ? 8.158   -16.287 -26.338 0   45.58   ? 63  ASN   A HB2  1 c 
ATOM   2642 H HB3  . ASN   B 1 51  ? 6.434   -15.988 -25.747 0   45.58   ? 63  ASN   A HB3  1 c 
ATOM   2643 N N    . GLY   B 1 52  ? 5.364   -18.938 -26.965 1   55.478  ? 64  GLY   A N    1 ? 
ATOM   2644 C CA   . GLY   B 1 52  ? 5.174   -20.359 -26.721 1   54.001  ? 64  GLY   A CA   1 ? 
ATOM   2645 C C    . GLY   B 1 52  ? 5.581   -20.778 -25.307 1   51.994  ? 64  GLY   A C    1 ? 
ATOM   2646 O O    . GLY   B 1 52  ? 5.732   -21.966 -25.033 1   51.177  ? 64  GLY   A O    1 ? 
ATOM   2647 H H    . GLY   B 1 52  ? 4.648   -18.38  -26.866 1   53.905  ? 64  GLY   A H    1 c 
ATOM   2648 H HA2  . GLY   B 1 52  ? 4.224   -20.581 -26.864 1   54.128  ? 64  GLY   A HA2  1 c 
ATOM   2649 H HA3  . GLY   B 1 52  ? 5.702   -20.871 -27.378 1   54.184  ? 64  GLY   A HA3  1 c 
ATOM   2650 N N    . LYS   B 1 53  ? 5.711   -19.818 -24.378 1   50.46   ? 65  LYS   A N    1 ? 
ATOM   2651 C CA   . LYS   B 1 53  ? 6.118   -20.134 -23.011 1   45.605  ? 65  LYS   A CA   1 ? 
ATOM   2652 C C    . LYS   B 1 53  ? 4.942   -20.664 -22.165 1   36.386  ? 65  LYS   A C    1 ? 
ATOM   2653 O O    . LYS   B 1 53  ? 5.146   -21.238 -21.099 1   36.944  ? 65  LYS   A O    1 ? 
ATOM   2654 C CB   . LYS   B 1 53  ? 6.809   -18.919 -22.375 1   49.599  ? 65  LYS   A CB   1 ? 
ATOM   2655 H H    . LYS   B 1 53  ? 5.532   -18.949 -24.597 1   49.769  ? 65  LYS   A H    1 c 
ATOM   2656 H HA   . LYS   B 1 53  ? 6.798   -20.854 -23.06  1   44.955  ? 65  LYS   A HA   1 c 
ATOM   2657 H HB2  . LYS   B 1 53  ? 7.791   -19.063 -22.459 0   48.57   ? 65  LYS   A HB2  1 c 
ATOM   2658 H HB3  . LYS   B 1 53  ? 6.132   -18.32  -22.075 0   48.57   ? 65  LYS   A HB3  1 c 
ATOM   2659 N N    . LYS   B 1 54  ? 3.712   -20.474 -22.628 1   29.267  ? 66  LYS   A N    1 ? 
ATOM   2660 C CA   . LYS   B 1 54  ? 2.509   -20.871 -21.92  1   27.535  ? 66  LYS   A CA   1 ? 
ATOM   2661 C C    . LYS   B 1 54  ? 1.478   -21.242 -22.986 1   25.086  ? 66  LYS   A C    1 ? 
ATOM   2662 O O    . LYS   B 1 54  ? 1.382   -20.556 -24.009 1   27.043  ? 66  LYS   A O    1 ? 
ATOM   2663 C CB   . LYS   B 1 54  ? 1.929   -19.734 -21.082 1   27.562  ? 66  LYS   A CB   1 ? 
ATOM   2664 H H    . LYS   B 1 54  ? 3.613   -20.058 -23.435 1   29.766  ? 66  LYS   A H    1 c 
ATOM   2665 H HA   . LYS   B 1 54  ? 2.707   -21.66  -21.354 1   27.28   ? 66  LYS   A HA   1 c 
ATOM   2666 H HB2  . LYS   B 1 54  ? 2.681   -19.216 -20.691 0   27.31   ? 66  LYS   A HB2  1 c 
ATOM   2667 H HB3  . LYS   B 1 54  ? 0.959   -19.776 -21.111 0   27.31   ? 66  LYS   A HB3  1 c 
ATOM   2668 N N    . PHE   B 1 55  ? 0.76    -22.33  -22.73  1   23.923  ? 67  PHE   A N    1 ? 
ATOM   2669 C CA   . PHE   B 1 55  ? -0.197  -22.956 -23.622 1   22.647  ? 67  PHE   A CA   1 ? 
ATOM   2670 C C    . PHE   B 1 55  ? -1.414  -23.274 -22.767 1   24.321  ? 67  PHE   A C    1 ? 
ATOM   2671 O O    . PHE   B 1 55  ? -1.295  -23.684 -21.629 1   30.153  ? 67  PHE   A O    1 ? 
ATOM   2672 C CB   . PHE   B 1 55  ? 0.445   -24.204 -24.263 1   25.558  ? 67  PHE   A CB   1 ? 
ATOM   2673 C CG   . PHE   B 1 55  ? -0.268  -24.734 -25.5   1   27.659  ? 67  PHE   A CG   1 ? 
ATOM   2674 C CD1  . PHE   B 1 55  ? -1.3    -25.657 -25.37  1   28.322  ? 67  PHE   A CD1  1 ? 
ATOM   2675 C CD2  . PHE   B 1 55  ? 0.072   -24.322 -26.8   1   26.312  ? 67  PHE   A CD2  1 ? 
ATOM   2676 C CE1  . PHE   B 1 55  ? -1.995  -26.117 -26.501 1   30.374  ? 67  PHE   A CE1  1 ? 
ATOM   2677 C CE2  . PHE   B 1 55  ? -0.584  -24.839 -27.923 1   30.323  ? 67  PHE   A CE2  1 ? 
ATOM   2678 C CZ   . PHE   B 1 55  ? -1.619  -25.72  -27.766 1   28.638  ? 67  PHE   A CZ   1 ? 
ATOM   2679 H H    . PHE   B 1 55  ? 0.881   -22.72  -21.912 1   24.156  ? 67  PHE   A H    1 c 
ATOM   2680 H HA   . PHE   B 1 55  ? -0.449  -22.314 -24.334 1   23.606  ? 67  PHE   A HA   1 c 
ATOM   2681 H HB2  . PHE   B 1 55  ? 1.373   -23.986 -24.504 1   25.391  ? 67  PHE   A HB2  1 c 
ATOM   2682 H HB3  . PHE   B 1 55  ? 0.475   -24.917 -23.587 1   24.916  ? 67  PHE   A HB3  1 c 
ATOM   2683 H HD1  . PHE   B 1 55  ? -1.572  -25.932 -24.509 1   28.606  ? 67  PHE   A HD1  1 c 
ATOM   2684 H HD2  . PHE   B 1 55  ? 0.784   -23.715 -26.918 1   27.135  ? 67  PHE   A HD2  1 c 
ATOM   2685 H HE1  . PHE   B 1 55  ? -2.69   -26.747 -26.397 1   29.603  ? 67  PHE   A HE1  1 c 
ATOM   2686 H HE2  . PHE   B 1 55  ? -0.34   -24.546 -28.787 1   29.199  ? 67  PHE   A HE2  1 c 
ATOM   2687 H HZ   . PHE   B 1 55  ? -2.072  -26.056 -28.522 1   29.134  ? 67  PHE   A HZ   1 c 
ATOM   2688 N N    . ASP   B 1 56  ? -2.595  -23.14  -23.336 1   19.719  ? 68  ASP   A N    1 ? 
ATOM   2689 C CA   . ASP   B 1 56  ? -3.847  -23.414 -22.647 1   19.632  ? 68  ASP   A CA   1 ? 
ATOM   2690 C C    . ASP   B 1 56  ? -4.795  -23.949 -23.718 1   21.289  ? 68  ASP   A C    1 ? 
ATOM   2691 O O    . ASP   B 1 56  ? -4.845  -23.422 -24.822 1   24.782  ? 68  ASP   A O    1 ? 
ATOM   2692 C CB   . ASP   B 1 56  ? -4.363  -22.116 -22.042 1   20.606  ? 68  ASP   A CB   1 ? 
ATOM   2693 C CG   . ASP   B 1 56  ? -5.754  -22.211 -21.44  1   21.234  ? 68  ASP   A CG   1 ? 
ATOM   2694 O OD1  . ASP   B 1 56  ? -6.025  -23.254 -20.823 1   24.324  ? 68  ASP   A OD1  1 ? 
ATOM   2695 O OD2  . ASP   B 1 56  ? -6.511  -21.228 -21.546 1   21.008  ? 68  ASP   A OD2  1 ? 
ATOM   2696 H H    . ASP   B 1 56  ? -2.633  -22.859 -24.205 1   20.435  ? 68  ASP   A H    1 c 
ATOM   2697 H HA   . ASP   B 1 56  ? -3.699  -24.098 -21.955 1   19.777  ? 68  ASP   A HA   1 c 
ATOM   2698 H HB2  . ASP   B 1 56  ? -3.743  -21.832 -21.337 1   20.477  ? 68  ASP   A HB2  1 c 
ATOM   2699 H HB3  . ASP   B 1 56  ? -4.372  -21.424 -22.735 1   20.552  ? 68  ASP   A HB3  1 c 
ATOM   2700 N N    . SER   B 1 57  ? -5.617  -24.914 -23.363 1   23.73   ? 69  SER   A N    1 ? 
ATOM   2701 C CA   . SER   B 1 57  ? -6.585  -25.48  -24.283 1   24.956  ? 69  SER   A CA   1 ? 
ATOM   2702 C C    . SER   B 1 57  ? -7.814  -25.953 -23.527 1   26.152  ? 69  SER   A C    1 ? 
ATOM   2703 O O    . SER   B 1 57  ? -7.706  -26.651 -22.531 1   26.618  ? 69  SER   A O    1 ? 
ATOM   2704 C CB   . SER   B 1 57  ? -6.041  -26.615 -25.146 1   32.403  ? 69  SER   A CB   1 ? 
ATOM   2705 O OG   . SER   B 1 57  ? -7.026  -26.887 -26.125 1   41.166  ? 69  SER   A OG   1 ? 
ATOM   2706 H H    . SER   B 1 57  ? -5.578  -25.242 -22.511 1   23.381  ? 69  SER   A H    1 c 
ATOM   2707 H HA   . SER   B 1 57  ? -6.873  -24.754 -24.89  1   25.655  ? 69  SER   A HA   1 c 
ATOM   2708 H HB2  . SER   B 1 57  ? -5.207  -26.341 -25.574 1   31.379  ? 69  SER   A HB2  1 c 
ATOM   2709 H HB3  . SER   B 1 57  ? -5.882  -27.407 -24.599 1   32.161  ? 69  SER   A HB3  1 c 
ATOM   2710 H HG   . SER   B 1 57  ? -6.719  -27.508 -26.63  0   41.29   ? 69  SER   A HG   1 c 
ATOM   2711 N N    . SER   B 1 58  ? -8.993  -25.656 -24.078 1   24.806  ? 70  SER   A N    1 ? 
ATOM   2712 C CA   . SER   B 1 58  ? -10.213 -26.255 -23.573 1   26.161  ? 70  SER   A CA   1 ? 
ATOM   2713 C C    . SER   B 1 58  ? -10.157 -27.749 -23.83  1   28.769  ? 70  SER   A C    1 ? 
ATOM   2714 O O    . SER   B 1 58  ? -10.767 -28.484 -23.102 1   31.223  ? 70  SER   A O    1 ? 
ATOM   2715 C CB   . SER   B 1 58  ? -11.433 -25.627 -24.205 1   25.072  ? 70  SER   A CB   1 ? 
ATOM   2716 O OG   . SER   B 1 58  ? -11.344 -25.709 -25.617 1   26.498  ? 70  SER   A OG   1 ? 
ATOM   2717 H H    . SER   B 1 58  ? -9.039  -25.071 -24.779 1   25.346  ? 70  SER   A H    1 c 
ATOM   2718 H HA   . SER   B 1 58  ? -10.253 -26.106 -22.594 1   26.258  ? 70  SER   A HA   1 c 
ATOM   2719 H HB2  . SER   B 1 58  ? -12.233 -26.093 -23.9   1   25.365  ? 70  SER   A HB2  1 c 
ATOM   2720 H HB3  . SER   B 1 58  ? -11.496 -24.692 -23.934 1   25.623  ? 70  SER   A HB3  1 c 
ATOM   2721 H HG   . SER   B 1 58  ? -12.008 -25.348 -25.99  0   26.8    ? 70  SER   A HG   1 c 
ATOM   2722 N N    . HIS   B 1 59  ? -9.425  -28.191 -24.857 1   31.693  ? 71  HIS   A N    1 ? 
ATOM   2723 C CA   . HIS   B 1 59  ? -9.338  -29.608 -25.191 1   37.716  ? 71  HIS   A CA   1 ? 
ATOM   2724 C C    . HIS   B 1 59  ? -8.605  -30.342 -24.088 1   40.111  ? 71  HIS   A C    1 ? 
ATOM   2725 O O    . HIS   B 1 59  ? -8.847  -31.538 -23.931 1   47.888  ? 71  HIS   A O    1 ? 
ATOM   2726 C CB   . HIS   B 1 59  ? -8.641  -29.812 -26.535 1   40.627  ? 71  HIS   A CB   1 ? 
ATOM   2727 C CG   . HIS   B 1 59  ? -9.432  -29.3   -27.678 1   46.333  ? 71  HIS   A CG   1 ? 
ATOM   2728 N ND1  . HIS   B 1 59  ? -10.728 -29.693 -27.941 1   54.612  ? 71  HIS   A ND1  1 ? 
ATOM   2729 C CD2  . HIS   B 1 59  ? -9.085  -28.437 -28.63  1   51.426  ? 71  HIS   A CD2  1 ? 
ATOM   2730 C CE1  . HIS   B 1 59  ? -11.145 -29.069 -29.03  1   55.426  ? 71  HIS   A CE1  1 ? 
ATOM   2731 N NE2  . HIS   B 1 59  ? -10.16  -28.295 -29.465 1   51.649  ? 71  HIS   A NE2  1 ? 
ATOM   2732 H H    . HIS   B 1 59  ? -8.973  -27.592 -25.379 1   31.778  ? 71  HIS   A H    1 c 
ATOM   2733 H HA   . HIS   B 1 59  ? -10.257 -29.969 -25.247 1   37.192  ? 71  HIS   A HA   1 c 
ATOM   2734 H HB2  . HIS   B 1 59  ? -7.773  -29.354 -26.515 1   40.737  ? 71  HIS   A HB2  1 c 
ATOM   2735 H HB3  . HIS   B 1 59  ? -8.476  -30.772 -26.665 1   40.774  ? 71  HIS   A HB3  1 c 
ATOM   2736 H HD1  . HIS   B 1 59  ? -11.183 -30.301 -27.461 0   53.88   ? 71  HIS   A HD1  1 c 
ATOM   2737 H HD2  . HIS   B 1 59  ? -8.262  -27.999 -28.718 1   49.817  ? 71  HIS   A HD2  1 c 
ATOM   2738 H HE1  . HIS   B 1 59  ? -11.997 -29.155 -29.423 1   54.528  ? 71  HIS   A HE1  1 c 
ATOM   2739 H HE2  . HIS   B 1 59  ? -10.261 -27.816 -30.199 0   52.2    ? 71  HIS   A HE2  1 c 
ATOM   2740 N N    . ASP   B 1 60  ? -7.741  -29.625 -23.343 1   44.009  ? 72  ASP   A N    1 ? 
ATOM   2741 C CA   . ASP   B 1 60  ? -7.063  -30.205 -22.183 1   47.273  ? 72  ASP   A CA   1 ? 
ATOM   2742 C C    . ASP   B 1 60  ? -8.078  -30.76  -21.188 1   42.074  ? 72  ASP   A C    1 ? 
ATOM   2743 O O    . ASP   B 1 60  ? -7.838  -31.767 -20.541 1   44.05   ? 72  ASP   A O    1 ? 
ATOM   2744 C CB   . ASP   B 1 60  ? -6.302  -29.19  -21.331 1   53.258  ? 72  ASP   A CB   1 ? 
ATOM   2745 C CG   . ASP   B 1 60  ? -5.07   -28.54  -21.945 1   60.177  ? 72  ASP   A CG   1 ? 
ATOM   2746 O OD1  . ASP   B 1 60  ? -4.419  -29.234 -22.75  1   54.962  ? 72  ASP   A OD1  1 ? 
ATOM   2747 O OD2  . ASP   B 1 60  ? -4.725  -27.381 -21.554 1   57.176  ? 72  ASP   A OD2  1 ? 
ATOM   2748 H H    . ASP   B 1 60  ? -7.551  -28.763 -23.575 1   42.88   ? 72  ASP   A H    1 c 
ATOM   2749 H HA   . ASP   B 1 60  ? -6.465  -30.926 -22.483 1   46.863  ? 72  ASP   A HA   1 c 
ATOM   2750 H HB2  . ASP   B 1 60  ? -6.921  -28.478 -21.068 1   53.013  ? 72  ASP   A HB2  1 c 
ATOM   2751 H HB3  . ASP   B 1 60  ? -6.01   -29.64  -20.511 1   52.992  ? 72  ASP   A HB3  1 c 
ATOM   2752 N N    . ARG   B 1 61  ? -9.195  -30.045 -21.071 1   39.476  ? 73  ARG   A N    1 ? 
ATOM   2753 C CA   . ARG   B 1 61  ? -10.231 -30.267 -20.09  1   37.966  ? 73  ARG   A CA   1 ? 
ATOM   2754 C C    . ARG   B 1 61  ? -11.409 -31.02  -20.7   1   35.901  ? 73  ARG   A C    1 ? 
ATOM   2755 O O    . ARG   B 1 61  ? -12.355 -31.328 -19.995 1   38.683  ? 73  ARG   A O    1 ? 
ATOM   2756 C CB   . ARG   B 1 61  ? -10.644 -28.892 -19.579 1   39.305  ? 73  ARG   A CB   1 ? 
ATOM   2757 C CG   . ARG   B 1 61  ? -9.474  -28.188 -18.896 1   39.752  ? 73  ARG   A CG   1 ? 
ATOM   2758 C CD   . ARG   B 1 61  ? -9.789  -26.814 -18.391 1   37.127  ? 73  ARG   A CD   1 ? 
ATOM   2759 N NE   . ARG   B 1 61  ? -10.181 -25.907 -19.481 1   37.24   ? 73  ARG   A NE   1 ? 
ATOM   2760 C CZ   . ARG   B 1 61  ? -9.455  -24.945 -20.047 1   37.201  ? 73  ARG   A CZ   1 ? 
ATOM   2761 N NH1  . ARG   B 1 61  ? -8.148  -24.931 -19.896 1   35.48   ? 73  ARG   A NH1  1 ? 
ATOM   2762 N NH2  . ARG   B 1 61  ? -10.055 -24.02  -20.796 1   34.984  ? 73  ARG   A NH2  1 ? 
ATOM   2763 H H    . ARG   B 1 61  ? -9.307  -29.342 -21.643 1   39.744  ? 73  ARG   A H    1 c 
ATOM   2764 H HA   . ARG   B 1 61  ? -9.857  -30.8   -19.343 1   38.42   ? 73  ARG   A HA   1 c 
ATOM   2765 H HB2  . ARG   B 1 61  ? -10.96  -28.345 -20.329 1   38.946  ? 73  ARG   A HB2  1 c 
ATOM   2766 H HB3  . ARG   B 1 61  ? -11.381 -28.989 -18.939 1   39.05   ? 73  ARG   A HB3  1 c 
ATOM   2767 H HG2  . ARG   B 1 61  ? -9.171  -28.738 -18.141 1   39.213  ? 73  ARG   A HG2  1 c 
ATOM   2768 H HG3  . ARG   B 1 61  ? -8.727  -28.123 -19.529 1   39.262  ? 73  ARG   A HG3  1 c 
ATOM   2769 H HD2  . ARG   B 1 61  ? -10.521 -26.872 -17.743 1   37.7    ? 73  ARG   A HD2  1 c 
ATOM   2770 H HD3  . ARG   B 1 61  ? -9.008  -26.45  -17.929 1   37.524  ? 73  ARG   A HD3  1 c 
ATOM   2771 H HE   . ARG   B 1 61  ? -10.985 -26.011 -19.8   1   37.477  ? 73  ARG   A HE   1 c 
ATOM   2772 H HH11 . ARG   B 1 61  ? -7.729  -25.628 -19.55  1   36.651  ? 73  ARG   A HH11 1 c 
ATOM   2773 H HH12 . ARG   B 1 61  ? -7.686  -24.223 -20.154 1   36.212  ? 73  ARG   A HH12 1 c 
ATOM   2774 H HH21 . ARG   B 1 61  ? -10.933 -24.034 -20.898 1   35.841  ? 73  ARG   A HH21 1 c 
ATOM   2775 H HH22 . ARG   B 1 61  ? -9.572  -23.394 -21.189 1   35.302  ? 73  ARG   A HH22 1 c 
ATOM   2776 N N    . ASN   B 1 62  ? -11.338 -31.265 -22.015 1   37.104  ? 74  ASN   A N    1 ? 
ATOM   2777 C CA   . ASN   B 1 62  ? -12.322 -31.992 -22.797 1   35.697  ? 74  ASN   A CA   1 ? 
ATOM   2778 C C    . ASN   B 1 62  ? -13.743 -31.489 -22.57  1   35.656  ? 74  ASN   A C    1 ? 
ATOM   2779 O O    . ASN   B 1 62  ? -14.681 -32.268 -22.576 1   35.911  ? 74  ASN   A O    1 ? 
ATOM   2780 C CB   . ASN   B 1 62  ? -12.163 -33.481 -22.517 1   35.483  ? 74  ASN   A CB   1 ? 
ATOM   2781 C CG   . ASN   B 1 62  ? -12.784 -34.32  -23.598 1   31.652  ? 74  ASN   A CG   1 ? 
ATOM   2782 O OD1  . ASN   B 1 62  ? -12.645 -34.005 -24.793 1   34.287  ? 74  ASN   A OD1  1 ? 
ATOM   2783 N ND2  . ASN   B 1 62  ? -13.54  -35.322 -23.205 1   32.053  ? 74  ASN   A ND2  1 ? 
ATOM   2784 H H    . ASN   B 1 62  ? -10.609 -30.947 -22.463 1   36.82   ? 74  ASN   A H    1 c 
ATOM   2785 H HA   . ASN   B 1 62  ? -12.104 -31.85  -23.746 1   36.114  ? 74  ASN   A HA   1 c 
ATOM   2786 H HB2  . ASN   B 1 62  ? -11.212 -33.697 -22.45  1   34.716  ? 74  ASN   A HB2  1 c 
ATOM   2787 H HB3  . ASN   B 1 62  ? -12.583 -33.693 -21.659 1   34.748  ? 74  ASN   A HB3  1 c 
ATOM   2788 H HD21 . ASN   B 1 62  ? -13.978 -35.805 -23.807 1   31.913  ? 74  ASN   A HD21 1 c 
ATOM   2789 H HD22 . ASN   B 1 62  ? -13.612 -35.52  -22.343 1   32.173  ? 74  ASN   A HD22 1 c 
ATOM   2790 N N    . GLU   B 1 63  ? -13.894 -30.174 -22.393 1   32.899  ? 75  GLU   A N    1 ? 
ATOM   2791 C CA   . GLU   B 1 63  ? -15.207 -29.553 -22.218 1   33.384  ? 75  GLU   A CA   1 ? 
ATOM   2792 C C    . GLU   B 1 63  ? -15.175 -28.185 -22.864 1   31.935  ? 75  GLU   A C    1 ? 
ATOM   2793 O O    . GLU   B 1 63  ? -14.111 -27.565 -22.865 1   30.739  ? 75  GLU   A O    1 ? 
ATOM   2794 C CB   . GLU   B 1 63  ? -15.543 -29.302 -20.747 1   34.959  ? 75  GLU   A CB   1 ? 
ATOM   2795 C CG   . GLU   B 1 63  ? -15.933 -30.578 -20.003 1   41.647  ? 75  GLU   A CG   1 ? 
ATOM   2796 C CD   . GLU   B 1 63  ? -17.058 -31.394 -20.636 1   45.863  ? 75  GLU   A CD   1 ? 
ATOM   2797 O OE1  . GLU   B 1 63  ? -17.005 -32.648 -20.592 1   49.41   ? 75  GLU   A OE1  1 ? 
ATOM   2798 O OE2  . GLU   B 1 63  ? -17.981 -30.771 -21.209 1   49.554  ? 75  GLU   A OE2  1 ? 
ATOM   2799 H H    . GLU   B 1 63  ? -13.155 -29.637 -22.391 1   33.714  ? 75  GLU   A H    1 c 
ATOM   2800 H HA   . GLU   B 1 63  ? -15.893 -30.115 -22.654 1   33.4    ? 75  GLU   A HA   1 c 
ATOM   2801 H HB2  . GLU   B 1 63  ? -14.763 -28.9   -20.309 1   35.93   ? 75  GLU   A HB2  1 c 
ATOM   2802 H HB3  . GLU   B 1 63  ? -16.281 -28.66  -20.692 1   35.805  ? 75  GLU   A HB3  1 c 
ATOM   2803 H HG2  . GLU   B 1 63  ? -15.142 -31.153 -19.929 1   41.148  ? 75  GLU   A HG2  1 c 
ATOM   2804 H HG3  . GLU   B 1 63  ? -16.203 -30.339 -19.091 1   41.017  ? 75  GLU   A HG3  1 c 
ATOM   2805 N N    . PRO   B 1 64  ? -16.305 -27.699 -23.434 1   31.631  ? 76  PRO   A N    1 ? 
ATOM   2806 C CA   . PRO   B 1 64  ? -16.307 -26.378 -24.016 1   30.075  ? 76  PRO   A CA   1 ? 
ATOM   2807 C C    . PRO   B 1 64  ? -16.12  -25.278 -22.977 1   27.817  ? 76  PRO   A C    1 ? 
ATOM   2808 O O    . PRO   B 1 64  ? -16.443 -25.439 -21.825 1   29.015  ? 76  PRO   A O    1 ? 
ATOM   2809 C CB   . PRO   B 1 64  ? -17.687 -26.252 -24.683 1   31.514  ? 76  PRO   A CB   1 ? 
ATOM   2810 C CG   . PRO   B 1 64  ? -18.228 -27.629 -24.771 1   33.102  ? 76  PRO   A CG   1 ? 
ATOM   2811 C CD   . PRO   B 1 64  ? -17.581 -28.394 -23.641 1   32.977  ? 76  PRO   A CD   1 ? 
ATOM   2812 H HA   . PRO   B 1 64  ? -15.602 -26.317 -24.694 1   30.386  ? 76  PRO   A HA   1 c 
ATOM   2813 H HB2  . PRO   B 1 64  ? -18.278 -25.684 -24.152 1   31.564  ? 76  PRO   A HB2  1 c 
ATOM   2814 H HB3  . PRO   B 1 64  ? -17.603 -25.859 -25.573 1   31.714  ? 76  PRO   A HB3  1 c 
ATOM   2815 H HG2  . PRO   B 1 64  ? -19.201 -27.626 -24.669 1   32.728  ? 76  PRO   A HG2  1 c 
ATOM   2816 H HG3  . PRO   B 1 64  ? -18.004 -28.035 -25.632 1   32.823  ? 76  PRO   A HG3  1 c 
ATOM   2817 H HD2  . PRO   B 1 64  ? -18.128 -28.359 -22.831 1   32.75   ? 76  PRO   A HD2  1 c 
ATOM   2818 H HD3  . PRO   B 1 64  ? -17.433 -29.326 -23.888 1   32.983  ? 76  PRO   A HD3  1 c 
ATOM   2819 N N    . PHE   B 1 65  ? -15.563 -24.164 -23.41  1   25.287  ? 77  PHE   A N    1 ? 
ATOM   2820 C CA   . PHE   B 1 65  ? -15.506 -22.953 -22.624 1   23.565  ? 77  PHE   A CA   1 ? 
ATOM   2821 C C    . PHE   B 1 65  ? -16.712 -22.085 -22.992 1   23.005  ? 77  PHE   A C    1 ? 
ATOM   2822 O O    . PHE   B 1 65  ? -17.039 -21.917 -24.167 1   23.848  ? 77  PHE   A O    1 ? 
ATOM   2823 C CB   . PHE   B 1 65  ? -14.213 -22.216 -22.974 1   22.15   ? 77  PHE   A CB   1 ? 
ATOM   2824 C CG   . PHE   B 1 65  ? -14.091 -20.876 -22.264 1   21.544  ? 77  PHE   A CG   1 ? 
ATOM   2825 C CD1  . PHE   B 1 65  ? -13.843 -20.79  -20.889 1   25.944  ? 77  PHE   A CD1  1 ? 
ATOM   2826 C CD2  . PHE   B 1 65  ? -14.247 -19.709 -22.976 1   20.664  ? 77  PHE   A CD2  1 ? 
ATOM   2827 C CE1  . PHE   B 1 65  ? -13.76  -19.547 -20.271 1   26.5    ? 77  PHE   A CE1  1 ? 
ATOM   2828 C CE2  . PHE   B 1 65  ? -14.123 -18.484 -22.349 1   21.593  ? 77  PHE   A CE2  1 ? 
ATOM   2829 C CZ   . PHE   B 1 65  ? -13.885 -18.388 -21.02  1   20.899  ? 77  PHE   A CZ   1 ? 
ATOM   2830 H H    . PHE   B 1 65  ? -15.198 -24.154 -24.248 1   25.427  ? 77  PHE   A H    1 c 
ATOM   2831 H HA   . PHE   B 1 65  ? -15.52  -23.173 -21.655 1   23.494  ? 77  PHE   A HA   1 c 
ATOM   2832 H HB2  . PHE   B 1 65  ? -13.45  -22.783 -22.724 1   22.271  ? 77  PHE   A HB2  1 c 
ATOM   2833 H HB3  . PHE   B 1 65  ? -14.185 -22.071 -23.945 1   22.339  ? 77  PHE   A HB3  1 c 
ATOM   2834 H HD1  . PHE   B 1 65  ? -13.752 -21.579 -20.378 1   24.678  ? 77  PHE   A HD1  1 c 
ATOM   2835 H HD2  . PHE   B 1 65  ? -14.402 -19.747 -23.906 1   21.134  ? 77  PHE   A HD2  1 c 
ATOM   2836 H HE1  . PHE   B 1 65  ? -13.583 -19.493 -19.345 1   24.522  ? 77  PHE   A HE1  1 c 
ATOM   2837 H HE2  . PHE   B 1 65  ? -14.226 -17.695 -22.858 1   21.415  ? 77  PHE   A HE2  1 c 
ATOM   2838 H HZ   . PHE   B 1 65  ? -13.823 -17.542 -20.606 1   21.649  ? 77  PHE   A HZ   1 c 
ATOM   2839 N N    . VAL   B 1 66  ? -17.374 -21.575 -21.961 1   23.956  ? 78  VAL   A N    1 ? 
ATOM   2840 C CA   . VAL   B 1 66  ? -18.65  -20.897 -22.104 1   23.7    ? 78  VAL   A CA   1 ? 
ATOM   2841 C C    . VAL   B 1 66  ? -18.536 -19.509 -21.496 1   23.047  ? 78  VAL   A C    1 ? 
ATOM   2842 O O    . VAL   B 1 66  ? -18.001 -19.349 -20.395 1   24.006  ? 78  VAL   A O    1 ? 
ATOM   2843 C CB   . VAL   B 1 66  ? -19.8   -21.662 -21.435 1   27.251  ? 78  VAL   A CB   1 ? 
ATOM   2844 C CG1  . VAL   B 1 66  ? -21.121 -20.941 -21.618 1   31.001  ? 78  VAL   A CG1  1 ? 
ATOM   2845 C CG2  . VAL   B 1 66  ? -19.864 -23.115 -21.914 1   29.062  ? 78  VAL   A CG2  1 ? 
ATOM   2846 H H    . VAL   B 1 66  ? -17.014 -21.649 -21.124 1   23.76   ? 78  VAL   A H    1 c 
ATOM   2847 H HA   . VAL   B 1 66  ? -18.848 -20.808 -23.053 1   24.178  ? 78  VAL   A HA   1 c 
ATOM   2848 H HB   . VAL   B 1 66  ? -19.607 -21.68  -20.468 1   27.249  ? 78  VAL   A HB   1 c 
ATOM   2849 H HG11 . VAL   B 1 66  ? -21.289 -20.805 -22.565 1   30.032  ? 78  VAL   A HG11 1 c 
ATOM   2850 H HG12 . VAL   B 1 66  ? -21.091 -20.081 -21.167 1   30.103  ? 78  VAL   A HG12 1 c 
ATOM   2851 H HG13 . VAL   B 1 66  ? -21.833 -21.479 -21.238 1   30.096  ? 78  VAL   A HG13 1 c 
ATOM   2852 H HG21 . VAL   B 1 66  ? -20.62  -23.562 -21.496 1   28.735  ? 78  VAL   A HG21 1 c 
ATOM   2853 H HG22 . VAL   B 1 66  ? -19.043 -23.575 -21.671 1   28.753  ? 78  VAL   A HG22 1 c 
ATOM   2854 H HG23 . VAL   B 1 66  ? -19.972 -23.135 -22.88  1   28.796  ? 78  VAL   A HG23 1 c 
ATOM   2855 N N    . PHE   B 1 67  ? -19.034 -18.508 -22.25  1   21.758  ? 79  PHE   A N    1 ? 
ATOM   2856 C CA   . PHE   B 1 67  ? -19.035 -17.159 -21.72  1   21.335  ? 79  PHE   A CA   1 ? 
ATOM   2857 C C    . PHE   B 1 67  ? -20.139 -16.353 -22.389 1   19.424  ? 79  PHE   A C    1 ? 
ATOM   2858 O O    . PHE   B 1 67  ? -20.71  -16.762 -23.418 1   22.345  ? 79  PHE   A O    1 ? 
ATOM   2859 C CB   . PHE   B 1 67  ? -17.672 -16.451 -21.889 1   20.986  ? 79  PHE   A CB   1 ? 
ATOM   2860 C CG   . PHE   B 1 67  ? -17.312 -16.051 -23.316 1   19.718  ? 79  PHE   A CG   1 ? 
ATOM   2861 C CD1  . PHE   B 1 67  ? -16.926 -16.98  -24.266 1   20.353  ? 79  PHE   A CD1  1 ? 
ATOM   2862 C CD2  . PHE   B 1 67  ? -17.406 -14.734 -23.715 1   19.766  ? 79  PHE   A CD2  1 ? 
ATOM   2863 C CE1  . PHE   B 1 67  ? -16.658 -16.607 -25.567 1   21.022  ? 79  PHE   A CE1  1 ? 
ATOM   2864 C CE2  . PHE   B 1 67  ? -17.092 -14.358 -25.008 1   19.319  ? 79  PHE   A CE2  1 ? 
ATOM   2865 C CZ   . PHE   B 1 67  ? -16.69  -15.286 -25.93  1   20.713  ? 79  PHE   A CZ   1 ? 
ATOM   2866 H H    . PHE   B 1 67  ? -19.368 -18.669 -23.085 1   21.969  ? 79  PHE   A H    1 c 
ATOM   2867 H HA   . PHE   B 1 67  ? -19.237 -17.209 -20.748 1   20.97   ? 79  PHE   A HA   1 c 
ATOM   2868 H HB2  . PHE   B 1 67  ? -17.673 -15.644 -21.327 1   20.803  ? 79  PHE   A HB2  1 c 
ATOM   2869 H HB3  . PHE   B 1 67  ? -16.97  -17.047 -21.545 1   20.844  ? 79  PHE   A HB3  1 c 
ATOM   2870 H HD1  . PHE   B 1 67  ? -16.88  -17.891 -24.027 1   20.189  ? 79  PHE   A HD1  1 c 
ATOM   2871 H HD2  . PHE   B 1 67  ? -17.658 -14.077 -23.087 1   19.724  ? 79  PHE   A HD2  1 c 
ATOM   2872 H HE1  . PHE   B 1 67  ? -16.373 -17.257 -26.19  1   20.501  ? 79  PHE   A HE1  1 c 
ATOM   2873 H HE2  . PHE   B 1 67  ? -17.145 -13.449 -25.253 1   19.67   ? 79  PHE   A HE2  1 c 
ATOM   2874 H HZ   . PHE   B 1 67  ? -16.498 -15.027 -26.817 1   20.018  ? 79  PHE   A HZ   1 c 
ATOM   2875 N N    . SER   B 1 68  ? -20.466 -15.214 -21.773 1   20.471  ? 80  SER   A N    1 ? 
ATOM   2876 C CA   . SER   B 1 68  ? -21.455 -14.296 -22.313 1   21.974  ? 80  SER   A CA   1 ? 
ATOM   2877 C C    . SER   B 1 68  ? -20.742 -13.228 -23.122 1   19.369  ? 80  SER   A C    1 ? 
ATOM   2878 O O    . SER   B 1 68  ? -19.893 -12.535 -22.591 1   19.594  ? 80  SER   A O    1 ? 
ATOM   2879 C CB   . SER   B 1 68  ? -22.257 -13.7   -21.202 1   23.332  ? 80  SER   A CB   1 ? 
ATOM   2880 O OG   . SER   B 1 68  ? -23.037 -14.732 -20.599 1   29.278  ? 80  SER   A OG   1 ? 
ATOM   2881 H H    . SER   B 1 68  ? -20.055 -15.001 -20.985 1   20.589  ? 80  SER   A H    1 c 
ATOM   2882 H HA   . SER   B 1 68  ? -22.062 -14.799 -22.909 1   21.309  ? 80  SER   A HA   1 c 
ATOM   2883 H HB2  . SER   B 1 68  ? -21.66  -13.304 -20.539 1   23.806  ? 80  SER   A HB2  1 c 
ATOM   2884 H HB3  . SER   B 1 68  ? -22.844 -13.004 -21.555 1   23.479  ? 80  SER   A HB3  1 c 
ATOM   2885 H HG   . SER   B 1 68  ? -23.5   -14.387 -19.973 0   29      ? 80  SER   A HG   1 c 
ATOM   2886 N N    . LEU   B 1 69  ? -21.136 -13.081 -24.388 1   18.505  ? 81  LEU   A N    1 ? 
ATOM   2887 C CA   . LEU   B 1 69  ? -20.442 -12.173 -25.304 1   17.225  ? 81  LEU   A CA   1 ? 
ATOM   2888 C C    . LEU   B 1 69  ? -20.644 -10.705 -24.921 1   16.906  ? 81  LEU   A C    1 ? 
ATOM   2889 O O    . LEU   B 1 69  ? -21.759 -10.286 -24.643 1   18.779  ? 81  LEU   A O    1 ? 
ATOM   2890 C CB   . LEU   B 1 69  ? -20.92  -12.405 -26.738 1   18.506  ? 81  LEU   A CB   1 ? 
ATOM   2891 C CG   . LEU   B 1 69  ? -20.148 -11.654 -27.825 1   19.088  ? 81  LEU   A CG   1 ? 
ATOM   2892 C CD1  . LEU   B 1 69  ? -18.741 -12.187 -27.994 1   19.467  ? 81  LEU   A CD1  1 ? 
ATOM   2893 C CD2  . LEU   B 1 69  ? -20.978 -11.763 -29.095 1   24.363  ? 81  LEU   A CD2  1 ? 
ATOM   2894 H H    . LEU   B 1 69  ? -21.855 -13.554 -24.696 1   18.354  ? 81  LEU   A H    1 c 
ATOM   2895 H HA   . LEU   B 1 69  ? -19.474 -12.377 -25.253 1   17.518  ? 81  LEU   A HA   1 c 
ATOM   2896 H HB2  . LEU   B 1 69  ? -20.864 -13.37  -26.928 1   18.314  ? 81  LEU   A HB2  1 c 
ATOM   2897 H HB3  . LEU   B 1 69  ? -21.868 -12.144 -26.791 1   18.514  ? 81  LEU   A HB3  1 c 
ATOM   2898 H HG   . LEU   B 1 69  ? -20.093 -10.697 -27.57  1   19.513  ? 81  LEU   A HG   1 c 
ATOM   2899 H HD11 . LEU   B 1 69  ? -18.246 -12.068 -27.166 1   19.385  ? 81  LEU   A HD11 1 c 
ATOM   2900 H HD12 . LEU   B 1 69  ? -18.294 -11.704 -28.709 1   19.361  ? 81  LEU   A HD12 1 c 
ATOM   2901 H HD13 . LEU   B 1 69  ? -18.776 -13.133 -28.216 1   19.449  ? 81  LEU   A HD13 1 c 
ATOM   2902 H HD21 . LEU   B 1 69  ? -21.852 -11.367 -28.948 1   23.043  ? 81  LEU   A HD21 1 c 
ATOM   2903 H HD22 . LEU   B 1 69  ? -21.082 -12.699 -29.333 1   23.156  ? 81  LEU   A HD22 1 c 
ATOM   2904 H HD23 . LEU   B 1 69  ? -20.528 -11.295 -29.818 1   22.925  ? 81  LEU   A HD23 1 c 
ATOM   2905 N N    . GLY   B 1 70  ? -19.533 -9.948  -24.971 1   16.4    ? 82  GLY   A N    1 ? 
ATOM   2906 C CA   . GLY   B 1 70  ? -19.604 -8.507  -24.939 1   20.047  ? 82  GLY   A CA   1 ? 
ATOM   2907 C C    . GLY   B 1 70  ? -19.768 -7.942  -23.558 1   23.9    ? 82  GLY   A C    1 ? 
ATOM   2908 O O    . GLY   B 1 70  ? -20.187 -6.789  -23.505 1   30.775  ? 82  GLY   A O    1 ? 
ATOM   2909 H H    . GLY   B 1 70  ? -18.714 -10.349 -25.025 1   16.971  ? 82  GLY   A H    1 c 
ATOM   2910 H HA2  . GLY   B 1 70  ? -18.781 -8.142  -25.34  1   19.455  ? 82  GLY   A HA2  1 c 
ATOM   2911 H HA3  . GLY   B 1 70  ? -20.361 -8.215  -25.498 1   19.769  ? 82  GLY   A HA3  1 c 
ATOM   2912 N N    . LYS   B 1 71  ? -19.506 -8.753  -22.512 1   23.943  ? 83  LYS   A N    1 ? 
ATOM   2913 C CA   . LYS   B 1 71  ? -19.548 -8.29   -21.157 1   28.782  ? 83  LYS   A CA   1 ? 
ATOM   2914 C C    . LYS   B 1 71  ? -18.153 -8.088  -20.543 1   22.689  ? 83  LYS   A C    1 ? 
ATOM   2915 O O    . LYS   B 1 71  ? -18.012 -7.695  -19.387 1   32.671  ? 83  LYS   A O    1 ? 
ATOM   2916 C CB   . LYS   B 1 71  ? -20.395 -9.29   -20.373 1   30.22   ? 83  LYS   A CB   1 ? 
ATOM   2917 C CG   . LYS   B 1 71  ? -21.825 -9.56   -20.902 1   36.701  ? 83  LYS   A CG   1 ? 
ATOM   2918 C CD   . LYS   B 1 71  ? -22.734 -8.355  -21.15  1   42.941  ? 83  LYS   A CD   1 ? 
ATOM   2919 C CE   . LYS   B 1 71  ? -24.218 -8.736  -21.097 1   47.448  ? 83  LYS   A CE   1 ? 
ATOM   2920 N NZ   . LYS   B 1 71  ? -25.202 -7.984  -21.897 1   46.848  ? 83  LYS   A NZ   1 ? 
ATOM   2921 H H    . LYS   B 1 71  ? -19.287 -9.626  -22.667 1   24.325  ? 83  LYS   A H    1 c 
ATOM   2922 H HA   . LYS   B 1 71  ? -20.018 -7.419  -21.141 1   26.977  ? 83  LYS   A HA   1 c 
ATOM   2923 H HB2  . LYS   B 1 71  ? -19.914 -10.145 -20.349 1   30.838  ? 83  LYS   A HB2  1 c 
ATOM   2924 H HB3  . LYS   B 1 71  ? -20.468 -8.97   -19.449 1   30.413  ? 83  LYS   A HB3  1 c 
ATOM   2925 H HG2  . LYS   B 1 71  ? -21.744 -10.062 -21.742 1   35.647  ? 83  LYS   A HG2  1 c 
ATOM   2926 H HG3  . LYS   B 1 71  ? -22.272 -10.153 -20.26  1   36.138  ? 83  LYS   A HG3  1 c 
ATOM   2927 H HD2  . LYS   B 1 71  ? -22.553 -7.667  -20.473 1   42.06   ? 83  LYS   A HD2  1 c 
ATOM   2928 H HD3  . LYS   B 1 71  ? -22.532 -7.976  -22.034 1   42.232  ? 83  LYS   A HD3  1 c 
ATOM   2929 H HE2  . LYS   B 1 71  ? -24.291 -9.673  -21.353 1   45.658  ? 83  LYS   A HE2  1 c 
ATOM   2930 H HE3  . LYS   B 1 71  ? -24.497 -8.681  -20.165 1   46.586  ? 83  LYS   A HE3  1 c 
ATOM   2931 H HZ1  . LYS   B 1 71  ? -25.021 -8.083  -22.779 1   47.023  ? 83  LYS   A HZ1  1 c 
ATOM   2932 H HZ2  . LYS   B 1 71  ? -25.167 -7.105  -21.681 1   46.943  ? 83  LYS   A HZ2  1 c 
ATOM   2933 H HZ3  . LYS   B 1 71  ? -26.032 -8.302  -21.725 1   47.216  ? 83  LYS   A HZ3  1 c 
ATOM   2934 N N    . GLY   B 1 72  ? -17.055 -8.206  -21.295 1   23.632  ? 84  GLY   A N    1 ? 
ATOM   2935 C CA   . GLY   B 1 72  ? -15.738 -8.116  -20.655 1   24.02   ? 84  GLY   A CA   1 ? 
ATOM   2936 C C    . GLY   B 1 72  ? -15.45  -9.323  -19.74  1   23.95   ? 84  GLY   A C    1 ? 
ATOM   2937 O O    . GLY   B 1 72  ? -14.633 -9.196  -18.827 1   32.005  ? 84  GLY   A O    1 ? 
ATOM   2938 H H    . GLY   B 1 72  ? -17.112 -8.337  -22.197 1   23.523  ? 84  GLY   A H    1 c 
ATOM   2939 H HA2  . GLY   B 1 72  ? -15.046 -8.067  -21.355 1   23.69   ? 84  GLY   A HA2  1 c 
ATOM   2940 H HA3  . GLY   B 1 72  ? -15.691 -7.285  -20.126 1   24.022  ? 84  GLY   A HA3  1 c 
ATOM   2941 N N    . GLN   B 1 73  ? -16.129 -10.48  -19.951 1   20.367  ? 85  GLN   A N    1 ? 
ATOM   2942 C CA   . GLN   B 1 73  ? -15.837 -11.719 -19.242 1   19.232  ? 85  GLN   A CA   1 ? 
ATOM   2943 C C    . GLN   B 1 73  ? -14.559 -12.371 -19.758 1   17.32   ? 85  GLN   A C    1 ? 
ATOM   2944 O O    . GLN   B 1 73  ? -14.009 -13.288 -19.142 1   19.56   ? 85  GLN   A O    1 ? 
ATOM   2945 C CB   . GLN   B 1 73  ? -16.949 -12.757 -19.415 1   21.953  ? 85  GLN   A CB   1 ? 
ATOM   2946 C CG   . GLN   B 1 73  ? -18.172 -12.444 -18.573 1   25.18   ? 85  GLN   A CG   1 ? 
ATOM   2947 C CD   . GLN   B 1 73  ? -19.317 -13.415 -18.749 1   24.181  ? 85  GLN   A CD   1 ? 
ATOM   2948 O OE1  . GLN   B 1 73  ? -19.18  -14.507 -19.312 1   25.658  ? 85  GLN   A OE1  1 ? 
ATOM   2949 N NE2  . GLN   B 1 73  ? -20.437 -13.061 -18.128 1   30.36   ? 85  GLN   A NE2  1 ? 
ATOM   2950 H H    . GLN   B 1 73  ? -16.795 -10.49  -20.576 1   20.901  ? 85  GLN   A H    1 c 
ATOM   2951 H HA   . GLN   B 1 73  ? -15.728 -11.514 -18.279 1   19.383  ? 85  GLN   A HA   1 c 
ATOM   2952 H HB2  . GLN   B 1 73  ? -17.209 -12.793 -20.359 1   21.837  ? 85  GLN   A HB2  1 c 
ATOM   2953 H HB3  . GLN   B 1 73  ? -16.607 -13.64  -19.163 1   21.657  ? 85  GLN   A HB3  1 c 
ATOM   2954 H HG2  . GLN   B 1 73  ? -17.915 -12.437 -17.627 1   24.494  ? 85  GLN   A HG2  1 c 
ATOM   2955 H HG3  . GLN   B 1 73  ? -18.492 -11.544 -18.798 1   24.351  ? 85  GLN   A HG3  1 c 
ATOM   2956 H HE21 . GLN   B 1 73  ? -21.155 -13.58  -18.183 1   28.412  ? 85  GLN   A HE21 1 c 
ATOM   2957 H HE22 . GLN   B 1 73  ? -20.468 -12.309 -17.659 1   28.374  ? 85  GLN   A HE22 1 c 
ATOM   2958 N N    . VAL   B 1 74  ? -14.1   -11.861 -20.901 1   15.283  ? 86  VAL   A N    1 ? 
ATOM   2959 C CA   . VAL   B 1 74  ? -12.895 -12.298 -21.598 1   15.173  ? 86  VAL   A CA   1 ? 
ATOM   2960 C C    . VAL   B 1 74  ? -12.155 -11.059 -22.056 1   14.809  ? 86  VAL   A C    1 ? 
ATOM   2961 O O    . VAL   B 1 74  ? -12.697 -9.958  -22.028 1   14.634  ? 86  VAL   A O    1 ? 
ATOM   2962 C CB   . VAL   B 1 74  ? -13.282 -13.21  -22.785 1   15.992  ? 86  VAL   A CB   1 ? 
ATOM   2963 C CG1  . VAL   B 1 74  ? -13.82  -14.581 -22.329 1   17.292  ? 86  VAL   A CG1  1 ? 
ATOM   2964 C CG2  . VAL   B 1 74  ? -14.258 -12.487 -23.702 1   16.544  ? 86  VAL   A CG2  1 ? 
ATOM   2965 H H    . VAL   B 1 74  ? -14.581 -11.188 -21.288 1   15.618  ? 86  VAL   A H    1 c 
ATOM   2966 H HA   . VAL   B 1 74  ? -12.331 -12.798 -20.978 1   15.271  ? 86  VAL   A HA   1 c 
ATOM   2967 H HB   . VAL   B 1 74  ? -12.459 -13.374 -23.302 1   16.109  ? 86  VAL   A HB   1 c 
ATOM   2968 H HG11 . VAL   B 1 74  ? -14.617 -14.454 -21.788 1   17.063  ? 86  VAL   A HG11 1 c 
ATOM   2969 H HG12 . VAL   B 1 74  ? -13.142 -15.038 -21.804 1   16.979  ? 86  VAL   A HG12 1 c 
ATOM   2970 H HG13 . VAL   B 1 74  ? -14.042 -15.119 -23.108 1   17.032  ? 86  VAL   A HG13 1 c 
ATOM   2971 H HG21 . VAL   B 1 74  ? -14.478 -13.06  -24.456 1   16.302  ? 86  VAL   A HG21 1 c 
ATOM   2972 H HG22 . VAL   B 1 74  ? -13.854 -11.667 -24.03  1   16.517  ? 86  VAL   A HG22 1 c 
ATOM   2973 H HG23 . VAL   B 1 74  ? -15.071 -12.275 -23.214 1   16.321  ? 86  VAL   A HG23 1 c 
ATOM   2974 N N    . ILE   B 1 75  ? -10.925 -11.252 -22.538 1   14.407  ? 87  ILE   A N    1 ? 
ATOM   2975 C CA   . ILE   B 1 75  ? -10.177 -10.143 -23.102 1   14.464  ? 87  ILE   A CA   1 ? 
ATOM   2976 C C    . ILE   B 1 75  ? -10.917 -9.52   -24.294 1   14.433  ? 87  ILE   A C    1 ? 
ATOM   2977 O O    . ILE   B 1 75  ? -11.736 -10.167 -24.962 1   14.958  ? 87  ILE   A O    1 ? 
ATOM   2978 C CB   . ILE   B 1 75  ? -8.758  -10.567 -23.486 1   14.326  ? 87  ILE   A CB   1 ? 
ATOM   2979 C CG1  . ILE   B 1 75  ? -8.749  -11.727 -24.476 1   15.135  ? 87  ILE   A CG1  1 ? 
ATOM   2980 C CG2  . ILE   B 1 75  ? -7.92   -10.813 -22.235 1   15.887  ? 87  ILE   A CG2  1 ? 
ATOM   2981 C CD1  . ILE   B 1 75  ? -7.359  -12.034 -25.038 1   16.762  ? 87  ILE   A CD1  1 ? 
ATOM   2982 H H    . ILE   B 1 75  ? -10.544 -12.082 -22.501 1   14.509  ? 87  ILE   A H    1 c 
ATOM   2983 H HA   . ILE   B 1 75  ? -10.102 -9.458  -22.409 1   14.447  ? 87  ILE   A HA   1 c 
ATOM   2984 H HB   . ILE   B 1 75  ? -8.356  -9.805  -23.948 1   14.616  ? 87  ILE   A HB   1 c 
ATOM   2985 H HG12 . ILE   B 1 75  ? -9.092  -12.529 -24.031 1   15.176  ? 87  ILE   A HG12 1 c 
ATOM   2986 H HG13 . ILE   B 1 75  ? -9.35   -11.516 -25.22  1   15.213  ? 87  ILE   A HG13 1 c 
ATOM   2987 H HG21 . ILE   B 1 75  ? -7.008  -11.033 -22.489 1   15.5    ? 87  ILE   A HG21 1 c 
ATOM   2988 H HG22 . ILE   B 1 75  ? -8.3    -11.55  -21.728 1   15.593  ? 87  ILE   A HG22 1 c 
ATOM   2989 H HG23 . ILE   B 1 75  ? -7.915  -10.012 -21.684 1   15.558  ? 87  ILE   A HG23 1 c 
ATOM   2990 H HD11 . ILE   B 1 75  ? -6.992  -11.232 -25.459 1   16.454  ? 87  ILE   A HD11 1 c 
ATOM   2991 H HD12 . ILE   B 1 75  ? -7.428  -12.745 -25.703 1   16.456  ? 87  ILE   A HD12 1 c 
ATOM   2992 H HD13 . ILE   B 1 75  ? -6.765  -12.322 -24.319 1   16.39   ? 87  ILE   A HD13 1 c 
ATOM   2993 N N    . LYS   B 1 76  ? -10.639 -8.229  -24.55  1   14.68   ? 88  LYS   A N    1 ? 
ATOM   2994 C CA   . LYS   B 1 76  ? -11.373 -7.479  -25.574 1   15.788  ? 88  LYS   A CA   1 ? 
ATOM   2995 C C    . LYS   B 1 76  ? -11.304 -8.196  -26.917 1   14.442  ? 88  LYS   A C    1 ? 
ATOM   2996 O O    . LYS   B 1 76  ? -12.282 -8.222  -27.656 1   15.844  ? 88  LYS   A O    1 ? 
ATOM   2997 C CB   . LYS   B 1 76  ? -10.783 -6.072  -25.724 1   17.851  ? 88  LYS   A CB   1 ? 
ATOM   2998 C CG   . LYS   B 1 76  ? -11.586 -5.126  -26.583 1   24.743  ? 88  LYS   A CG   1 ? 
ATOM   2999 H H    . LYS   B 1 76  ? -9.979  -7.807  -24.079 1   14.766  ? 88  LYS   A H    1 c 
ATOM   3000 H HA   . LYS   B 1 76  ? -12.322 -7.411  -25.294 1   15.686  ? 88  LYS   A HA   1 c 
ATOM   3001 H HB2  . LYS   B 1 76  ? -10.69  -5.675  -24.832 1   17.829  ? 88  LYS   A HB2  1 c 
ATOM   3002 H HB3  . LYS   B 1 76  ? -9.884  -6.15   -26.109 1   18.145  ? 88  LYS   A HB3  1 c 
ATOM   3003 H HG2  . LYS   B 1 76  ? -10.989 -4.555  -27.086 0   24.54   ? 88  LYS   A HG2  1 c 
ATOM   3004 H HG3  . LYS   B 1 76  ? -12.555 -5.309  -26.411 0   24.54   ? 88  LYS   A HG3  1 c 
ATOM   3005 N N    . ALA   B 1 77  ? -10.117 -8.735  -27.259 1   14.703  ? 89  ALA   A N    1 ? 
ATOM   3006 C CA   . ALA   B 1 77  ? -9.949  -9.41   -28.54  1   15.016  ? 89  ALA   A CA   1 ? 
ATOM   3007 C C    . ALA   B 1 77  ? -10.944 -10.545 -28.75  1   13.299  ? 89  ALA   A C    1 ? 
ATOM   3008 O O    . ALA   B 1 77  ? -11.356 -10.819 -29.879 1   15.739  ? 89  ALA   A O    1 ? 
ATOM   3009 C CB   . ALA   B 1 77  ? -8.559  -9.934  -28.699 1   16.612  ? 89  ALA   A CB   1 ? 
ATOM   3010 H H    . ALA   B 1 77  ? -9.405  -8.675  -26.69  1   14.644  ? 89  ALA   A H    1 c 
ATOM   3011 H HA   . ALA   B 1 77  ? -10.111 -8.735  -29.256 1   14.758  ? 89  ALA   A HA   1 c 
ATOM   3012 H HB1  . ALA   B 1 77  ? -7.926  -9.198  -28.668 1   16.22   ? 89  ALA   A HB1  1 c 
ATOM   3013 H HB2  . ALA   B 1 77  ? -8.362  -10.558 -27.981 1   16.323  ? 89  ALA   A HB2  1 c 
ATOM   3014 H HB3  . ALA   B 1 77  ? -8.478  -10.391 -29.553 1   16.305  ? 89  ALA   A HB3  1 c 
ATOM   3015 N N    . TRP   B 1 78  ? -11.327 -11.245 -27.673 1   14.993  ? 90  TRP   A N    1 ? 
ATOM   3016 C CA   . TRP   B 1 78  ? -12.32  -12.29  -27.792 1   14.56   ? 90  TRP   A CA   1 ? 
ATOM   3017 C C    . TRP   B 1 78  ? -13.73  -11.728 -28.003 1   14.768  ? 90  TRP   A C    1 ? 
ATOM   3018 O O    . TRP   B 1 78  ? -14.528 -12.275 -28.77  1   15.746  ? 90  TRP   A O    1 ? 
ATOM   3019 C CB   . TRP   B 1 78  ? -12.308 -13.192 -26.569 1   14.943  ? 90  TRP   A CB   1 ? 
ATOM   3020 C CG   . TRP   B 1 78  ? -11.396 -14.376 -26.676 1   15.278  ? 90  TRP   A CG   1 ? 
ATOM   3021 C CD1  . TRP   B 1 78  ? -10.084 -14.406 -27.051 1   15.66   ? 90  TRP   A CD1  1 ? 
ATOM   3022 C CD2  . TRP   B 1 78  ? -11.788 -15.75  -26.469 1   15.366  ? 90  TRP   A CD2  1 ? 
ATOM   3023 N NE1  . TRP   B 1 78  ? -9.638  -15.71  -27.075 1   15.46   ? 90  TRP   A NE1  1 ? 
ATOM   3024 C CE2  . TRP   B 1 78  ? -10.65  -16.558 -26.713 1   15.642  ? 90  TRP   A CE2  1 ? 
ATOM   3025 C CE3  . TRP   B 1 78  ? -12.989 -16.352 -26.094 1   16.514  ? 90  TRP   A CE3  1 ? 
ATOM   3026 C CZ2  . TRP   B 1 78  ? -10.689 -17.936 -26.576 1   17.478  ? 90  TRP   A CZ2  1 ? 
ATOM   3027 C CZ3  . TRP   B 1 78  ? -13.023 -17.712 -25.954 1   16.269  ? 90  TRP   A CZ3  1 ? 
ATOM   3028 C CH2  . TRP   B 1 78  ? -11.89  -18.484 -26.203 1   18.611  ? 90  TRP   A CH2  1 ? 
ATOM   3029 H H    . TRP   B 1 78  ? -10.957 -11.069 -26.856 1   14.578  ? 90  TRP   A H    1 c 
ATOM   3030 H HA   . TRP   B 1 78  ? -12.087 -12.847 -28.583 1   14.559  ? 90  TRP   A HA   1 c 
ATOM   3031 H HB2  . TRP   B 1 78  ? -12.044 -12.659 -25.789 1   14.941  ? 90  TRP   A HB2  1 c 
ATOM   3032 H HB3  . TRP   B 1 78  ? -13.221 -13.512 -26.409 1   14.911  ? 90  TRP   A HB3  1 c 
ATOM   3033 H HD1  . TRP   B 1 78  ? -9.554  -13.655 -27.266 1   15.577  ? 90  TRP   A HD1  1 c 
ATOM   3034 H HE1  . TRP   B 1 78  ? -8.827  -15.953 -27.263 1   15.324  ? 90  TRP   A HE1  1 c 
ATOM   3035 H HE3  . TRP   B 1 78  ? -13.752 -15.829 -25.915 1   16.169  ? 90  TRP   A HE3  1 c 
ATOM   3036 H HZ2  . TRP   B 1 78  ? -9.932  -18.471 -26.748 1   17.285  ? 90  TRP   A HZ2  1 c 
ATOM   3037 H HZ3  . TRP   B 1 78  ? -13.827 -18.134 -25.699 1   16.62   ? 90  TRP   A HZ3  1 c 
ATOM   3038 H HH2  . TRP   B 1 78  ? -11.95  -19.418 -26.109 1   17.728  ? 90  TRP   A HH2  1 c 
ATOM   3039 N N    . ASP   B 1 79  ? -14.101 -10.647 -27.286 1   15.028  ? 91  ASP   A N    1 ? 
ATOM   3040 C CA   . ASP   B 1 79  ? -15.394 -10.044 -27.504 1   15.855  ? 91  ASP   A CA   1 ? 
ATOM   3041 C C    . ASP   B 1 79  ? -15.49  -9.572  -28.95  1   16.194  ? 91  ASP   A C    1 ? 
ATOM   3042 O O    . ASP   B 1 79  ? -16.553 -9.727  -29.569 1   19.072  ? 91  ASP   A O    1 ? 
ATOM   3043 C CB   . ASP   B 1 79  ? -15.673 -8.93   -26.503 1   16.936  ? 91  ASP   A CB   1 ? 
ATOM   3044 C CG   . ASP   B 1 79  ? -16.215 -9.38   -25.145 1   17.715  ? 91  ASP   A CG   1 ? 
ATOM   3045 O OD1  . ASP   B 1 79  ? -16.763 -10.491 -25.064 1   16.583  ? 91  ASP   A OD1  1 ? 
ATOM   3046 O OD2  . ASP   B 1 79  ? -16.119 -8.582  -24.189 1   19.967  ? 91  ASP   A OD2  1 ? 
ATOM   3047 H H    . ASP   B 1 79  ? -13.538 -10.294 -26.658 1   15.15   ? 91  ASP   A H    1 c 
ATOM   3048 H HA   . ASP   B 1 79  ? -16.078 -10.737 -27.367 1   15.845  ? 91  ASP   A HA   1 c 
ATOM   3049 H HB2  . ASP   B 1 79  ? -14.846 -8.428  -26.349 1   16.891  ? 91  ASP   A HB2  1 c 
ATOM   3050 H HB3  . ASP   B 1 79  ? -16.326 -8.313  -26.895 1   16.874  ? 91  ASP   A HB3  1 c 
ATOM   3051 N N    . ILE   B 1 80  ? -14.415 -8.958  -29.478 1   16.971  ? 92  ILE   A N    1 ? 
ATOM   3052 C CA   . ILE   B 1 80  ? -14.408 -8.513  -30.885 1   17.047  ? 92  ILE   A CA   1 ? 
ATOM   3053 C C    . ILE   B 1 80  ? -14.443 -9.726  -31.817 1   15.91   ? 92  ILE   A C    1 ? 
ATOM   3054 O O    . ILE   B 1 80  ? -15.185 -9.78   -32.802 1   18.037  ? 92  ILE   A O    1 ? 
ATOM   3055 C CB   . ILE   B 1 80  ? -13.151 -7.646  -31.134 1   17.356  ? 92  ILE   A CB   1 ? 
ATOM   3056 C CG1  . ILE   B 1 80  ? -13.196 -6.362  -30.324 1   18.481  ? 92  ILE   A CG1  1 ? 
ATOM   3057 C CG2  . ILE   B 1 80  ? -12.953 -7.363  -32.626 1   19.419  ? 92  ILE   A CG2  1 ? 
ATOM   3058 C CD1  . ILE   B 1 80  ? -11.847 -5.671  -30.173 1   19.75   ? 92  ILE   A CD1  1 ? 
ATOM   3059 H H    . ILE   B 1 80  ? -13.674 -8.812  -28.962 1   16.805  ? 92  ILE   A H    1 c 
ATOM   3060 H HA   . ILE   B 1 80  ? -15.202 -7.967  -31.045 1   17.048  ? 92  ILE   A HA   1 c 
ATOM   3061 H HB   . ILE   B 1 80  ? -12.376 -8.158  -30.826 1   17.767  ? 92  ILE   A HB   1 c 
ATOM   3062 H HG12 . ILE   B 1 80  ? -13.819 -5.742  -30.755 1   18.388  ? 92  ILE   A HG12 1 c 
ATOM   3063 H HG13 . ILE   B 1 80  ? -13.545 -6.562  -29.432 1   18.521  ? 92  ILE   A HG13 1 c 
ATOM   3064 H HG21 . ILE   B 1 80  ? -12.191 -6.773  -32.749 1   18.929  ? 92  ILE   A HG21 1 c 
ATOM   3065 H HG22 . ILE   B 1 80  ? -13.75  -6.937  -32.985 1   19.009  ? 92  ILE   A HG22 1 c 
ATOM   3066 H HG23 . ILE   B 1 80  ? -12.792 -8.196  -33.1   1   18.876  ? 92  ILE   A HG23 1 c 
ATOM   3067 H HD11 . ILE   B 1 80  ? -11.219 -6.274  -29.733 1   19.616  ? 92  ILE   A HD11 1 c 
ATOM   3068 H HD12 . ILE   B 1 80  ? -11.953 -4.864  -29.634 1   19.517  ? 92  ILE   A HD12 1 c 
ATOM   3069 H HD13 . ILE   B 1 80  ? -11.499 -5.428  -31.052 1   19.534  ? 92  ILE   A HD13 1 c 
ATOM   3070 N N    . GLY   B 1 81  ? -13.542 -10.674 -31.579 1   16.858  ? 93  GLY   A N    1 ? 
ATOM   3071 C CA   . GLY   B 1 81  ? -13.325 -11.739 -32.543 1   16.905  ? 93  GLY   A CA   1 ? 
ATOM   3072 C C    . GLY   B 1 81  ? -14.431 -12.771 -32.608 1   16.184  ? 93  GLY   A C    1 ? 
ATOM   3073 O O    . GLY   B 1 81  ? -14.892 -13.163 -33.684 1   17.964  ? 93  GLY   A O    1 ? 
ATOM   3074 H H    . GLY   B 1 81  ? -13.051 -10.66  -30.809 1   16.731  ? 93  GLY   A H    1 c 
ATOM   3075 H HA2  . GLY   B 1 81  ? -13.213 -11.336 -33.434 1   16.671  ? 93  GLY   A HA2  1 c 
ATOM   3076 H HA3  . GLY   B 1 81  ? -12.479 -12.193 -32.318 1   16.832  ? 93  GLY   A HA3  1 c 
ATOM   3077 N N    . VAL   B 1 82  ? -14.9   -13.228 -31.442 1   16.753  ? 94  VAL   A N    1 ? 
ATOM   3078 C CA   . VAL   B 1 82  ? -15.937 -14.225 -31.433 1   17.253  ? 94  VAL   A CA   1 ? 
ATOM   3079 C C    . VAL   B 1 82  ? -17.228 -13.656 -32.017 1   18.537  ? 94  VAL   A C    1 ? 
ATOM   3080 O O    . VAL   B 1 82  ? -18.006 -14.378 -32.643 1   21.413  ? 94  VAL   A O    1 ? 
ATOM   3081 C CB   . VAL   B 1 82  ? -16.1   -14.844 -30.042 1   19.262  ? 94  VAL   A CB   1 ? 
ATOM   3082 C CG1  . VAL   B 1 82  ? -17.253 -15.826 -30.022 1   22.997  ? 94  VAL   A CG1  1 ? 
ATOM   3083 C CG2  . VAL   B 1 82  ? -14.814 -15.518 -29.585 1   18.166  ? 94  VAL   A CG2  1 ? 
ATOM   3084 H H    . VAL   B 1 82  ? -14.572 -12.909 -30.651 1   16.753  ? 94  VAL   A H    1 c 
ATOM   3085 H HA   . VAL   B 1 82  ? -15.647 -14.943 -32.03  1   17.458  ? 94  VAL   A HA   1 c 
ATOM   3086 H HB   . VAL   B 1 82  ? -16.307 -14.112 -29.416 1   19.177  ? 94  VAL   A HB   1 c 
ATOM   3087 H HG11 . VAL   B 1 82  ? -17.14  -16.477 -30.735 1   22.259  ? 94  VAL   A HG11 1 c 
ATOM   3088 H HG12 . VAL   B 1 82  ? -18.092 -15.35  -30.147 1   22.183  ? 94  VAL   A HG12 1 c 
ATOM   3089 H HG13 . VAL   B 1 82  ? -17.268 -16.285 -29.166 1   22.095  ? 94  VAL   A HG13 1 c 
ATOM   3090 H HG21 . VAL   B 1 82  ? -14.954 -15.928 -28.715 1   18.281  ? 94  VAL   A HG21 1 c 
ATOM   3091 H HG22 . VAL   B 1 82  ? -14.104 -14.857 -29.519 1   18.444  ? 94  VAL   A HG22 1 c 
ATOM   3092 H HG23 . VAL   B 1 82  ? -14.559 -16.202 -30.227 1   18.333  ? 94  VAL   A HG23 1 c 
ATOM   3093 N N    . ALA   B 1 83  ? -17.445 -12.339 -31.887 1   17.855  ? 95  ALA   A N    1 ? 
ATOM   3094 C CA   . ALA   B 1 83  ? -18.617 -11.694 -32.455 1   19.965  ? 95  ALA   A CA   1 ? 
ATOM   3095 C C    . ALA   B 1 83  ? -18.647 -11.771 -33.979 1   21.92   ? 95  ALA   A C    1 ? 
ATOM   3096 O O    . ALA   B 1 83  ? -19.712 -11.615 -34.549 1   24.878  ? 95  ALA   A O    1 ? 
ATOM   3097 C CB   . ALA   B 1 83  ? -18.683 -10.263 -32.005 1   19.933  ? 95  ALA   A CB   1 ? 
ATOM   3098 H H    . ALA   B 1 83  ? -16.848 -11.829 -31.419 1   18.226  ? 95  ALA   A H    1 c 
ATOM   3099 H HA   . ALA   B 1 83  ? -19.422 -12.172 -32.111 1   19.824  ? 95  ALA   A HA   1 c 
ATOM   3100 H HB1  . ALA   B 1 83  ? -18.749 -10.228 -31.036 1   19.982  ? 95  ALA   A HB1  1 c 
ATOM   3101 H HB2  . ALA   B 1 83  ? -17.882 -9.793  -32.29  1   19.881  ? 95  ALA   A HB2  1 c 
ATOM   3102 H HB3  . ALA   B 1 83  ? -19.463 -9.833  -32.395 1   19.809  ? 95  ALA   A HB3  1 c 
ATOM   3103 N N    . THR   B 1 84  ? -17.498 -12.015 -34.624 1   19.781  ? 96  THR   A N    1 ? 
ATOM   3104 C CA   . THR   B 1 84  ? -17.445 -12.102 -36.073 1   20.674  ? 96  THR   A CA   1 ? 
ATOM   3105 C C    . THR   B 1 84  ? -17.691 -13.515 -36.58  1   20.971  ? 96  THR   A C    1 ? 
ATOM   3106 O O    . THR   B 1 84  ? -17.69  -13.687 -37.789 1   23.922  ? 96  THR   A O    1 ? 
ATOM   3107 C CB   . THR   B 1 84  ? -16.117 -11.601 -36.599 1   20.899  ? 96  THR   A CB   1 ? 
ATOM   3108 O OG1  . THR   B 1 84  ? -15.084 -12.547 -36.308 1   21.462  ? 96  THR   A OG1  1 ? 
ATOM   3109 C CG2  . THR   B 1 84  ? -15.797 -10.2   -36.146 1   21.4    ? 96  THR   A CG2  1 ? 
ATOM   3110 H H    . THR   B 1 84  ? -16.723 -12.113 -34.151 1   20.151  ? 96  THR   A H    1 c 
ATOM   3111 H HA   . THR   B 1 84  ? -18.149 -11.521 -36.436 1   20.597  ? 96  THR   A HA   1 c 
ATOM   3112 H HB   . THR   B 1 84  ? -16.202 -11.546 -37.581 1   20.767  ? 96  THR   A HB   1 c 
ATOM   3113 H HG1  . THR   B 1 84  ? -15.04  -12.66  -35.455 0   21.67   ? 96  THR   A HG1  1 c 
ATOM   3114 H HG21 . THR   B 1 84  ? -14.948 -9.921  -36.529 1   21.221  ? 96  THR   A HG21 1 c 
ATOM   3115 H HG22 . THR   B 1 84  ? -15.736 -10.177 -35.177 1   21.416  ? 96  THR   A HG22 1 c 
ATOM   3116 H HG23 . THR   B 1 84  ? -16.499 -9.595  -36.439 1   21.238  ? 96  THR   A HG23 1 c 
ATOM   3117 N N    . MET   B 1 85  ? -17.847 -14.498 -35.691 1   20.519  ? 97  MET   A N    1 ? 
ATOM   3118 C CA   . MET   B 1 85  ? -17.802 -15.896 -36.063 1   21.607  ? 97  MET   A CA   1 ? 
ATOM   3119 C C    . MET   B 1 85  ? -19.2   -16.471 -36.23  1   22.603  ? 97  MET   A C    1 ? 
ATOM   3120 O O    . MET   B 1 85  ? -20.11  -16.14  -35.499 1   23.465  ? 97  MET   A O    1 ? 
ATOM   3121 C CB   . MET   B 1 85  ? -17.018 -16.689 -35.009 1   22.103  ? 97  MET   A CB   1 ? 
ATOM   3122 C CG   . MET   B 1 85  ? -15.525 -16.332 -34.962 1   21.822  ? 97  MET   A CG   1 ? 
ATOM   3123 S SD   . MET   B 1 85  ? -14.627 -17.297 -33.73  1   22.396  ? 97  MET   A SD   1 ? 
ATOM   3124 C CE   . MET   B 1 85  ? -14.58  -18.875 -34.566 1   22.195  ? 97  MET   A CE   1 ? 
ATOM   3125 H H    . MET   B 1 85  ? -17.992 -14.288 -34.814 1   20.785  ? 97  MET   A H    1 c 
ATOM   3126 H HA   . MET   B 1 85  ? -17.331 -15.966 -36.931 1   21.773  ? 97  MET   A HA   1 c 
ATOM   3127 H HB2  . MET   B 1 85  ? -17.415 -16.52  -34.129 1   21.97   ? 97  MET   A HB2  1 c 
ATOM   3128 H HB3  . MET   B 1 85  ? -17.112 -17.646 -35.203 1   21.931  ? 97  MET   A HB3  1 c 
ATOM   3129 H HG2  . MET   B 1 85  ? -15.126 -16.49  -35.837 1   21.944  ? 97  MET   A HG2  1 c 
ATOM   3130 H HG3  . MET   B 1 85  ? -15.426 -15.383 -34.753 1   21.918  ? 97  MET   A HG3  1 c 
ATOM   3131 H HE1  . MET   B 1 85  ? -14.12  -19.525 -34.005 1   22.302  ? 97  MET   A HE1  1 c 
ATOM   3132 H HE2  . MET   B 1 85  ? -15.49  -19.181 -34.736 1   22.108  ? 97  MET   A HE2  1 c 
ATOM   3133 H HE3  . MET   B 1 85  ? -14.105 -18.78  -35.412 1   22.197  ? 97  MET   A HE3  1 c 
ATOM   3134 N N    . LYS   B 1 86  ? -19.302 -17.407 -37.178 1   24.886  ? 98  LYS   A N    1 ? 
ATOM   3135 C CA   . LYS   B 1 86  ? -20.501 -18.186 -37.392 1   26.78   ? 98  LYS   A CA   1 ? 
ATOM   3136 C C    . LYS   B 1 86  ? -20.407 -19.517 -36.643 1   28.557  ? 98  LYS   A C    1 ? 
ATOM   3137 O O    . LYS   B 1 86  ? -19.319 -20.026 -36.337 1   29.192  ? 98  LYS   A O    1 ? 
ATOM   3138 C CB   . LYS   B 1 86  ? -20.684 -18.428 -38.897 1   28.481  ? 98  LYS   A CB   1 ? 
ATOM   3139 C CG   . LYS   B 1 86  ? -20.923 -17.112 -39.676 1   32.188  ? 98  LYS   A CG   1 ? 
ATOM   3140 C CD   . LYS   B 1 86  ? -21.1   -17.309 -41.166 1   39.487  ? 98  LYS   A CD   1 ? 
ATOM   3141 C CE   . LYS   B 1 86  ? -21.078 -16.01  -41.905 1   42.571  ? 98  LYS   A CE   1 ? 
ATOM   3142 N NZ   . LYS   B 1 86  ? -19.689 -15.562 -42.031 1   44.344  ? 98  LYS   A NZ   1 ? 
ATOM   3143 H H    . LYS   B 1 86  ? -18.582 -17.566 -37.718 1   24.772  ? 98  LYS   A H    1 c 
ATOM   3144 H HA   . LYS   B 1 86  ? -21.279 -17.676 -37.048 1   26.78   ? 98  LYS   A HA   1 c 
ATOM   3145 H HB2  . LYS   B 1 86  ? -19.883 -18.868 -39.254 1   28.861  ? 98  LYS   A HB2  1 c 
ATOM   3146 H HB3  . LYS   B 1 86  ? -21.449 -19.026 -39.039 1   28.774  ? 98  LYS   A HB3  1 c 
ATOM   3147 H HG2  . LYS   B 1 86  ? -21.725 -16.676 -39.314 1   32.241  ? 98  LYS   A HG2  1 c 
ATOM   3148 H HG3  . LYS   B 1 86  ? -20.16  -16.515 -39.52  1   32.277  ? 98  LYS   A HG3  1 c 
ATOM   3149 H HD2  . LYS   B 1 86  ? -20.381 -17.888 -41.504 1   38.161  ? 98  LYS   A HD2  1 c 
ATOM   3150 H HD3  . LYS   B 1 86  ? -21.954 -17.758 -41.325 1   38.261  ? 98  LYS   A HD3  1 c 
ATOM   3151 H HE2  . LYS   B 1 86  ? -21.463 -16.123 -42.793 1   42.594  ? 98  LYS   A HE2  1 c 
ATOM   3152 H HE3  . LYS   B 1 86  ? -21.593 -15.339 -41.423 1   42.391  ? 98  LYS   A HE3  1 c 
ATOM   3153 H HZ1  . LYS   B 1 86  ? -19.195 -16.195 -42.451 1   43.953  ? 98  LYS   A HZ1  1 c 
ATOM   3154 H HZ2  . LYS   B 1 86  ? -19.333 -15.399 -41.215 1   43.381  ? 98  LYS   A HZ2  1 c 
ATOM   3155 H HZ3  . LYS   B 1 86  ? -19.662 -14.799 -42.519 1   43.925  ? 98  LYS   A HZ3  1 c 
ATOM   3156 N N    . LYS   B 1 87  ? -21.575 -20.126 -36.429 1   28.652  ? 99  LYS   A N    1 ? 
ATOM   3157 C CA   . LYS   B 1 87  ? -21.655 -21.447 -35.822 1   28.766  ? 99  LYS   A CA   1 ? 
ATOM   3158 C C    . LYS   B 1 87  ? -20.865 -22.448 -36.664 1   28.306  ? 99  LYS   A C    1 ? 
ATOM   3159 O O    . LYS   B 1 87  ? -21.055 -22.498 -37.87  1   32.485  ? 99  LYS   A O    1 ? 
ATOM   3160 C CB   . LYS   B 1 87  ? -23.103 -21.892 -35.661 1   31.141  ? 99  LYS   A CB   1 ? 
ATOM   3161 C CG   . LYS   B 1 87  ? -23.231 -23.171 -34.868 1   34.225  ? 99  LYS   A CG   1 ? 
ATOM   3162 C CD   . LYS   B 1 87  ? -24.636 -23.591 -34.472 1   42.405  ? 99  LYS   A CD   1 ? 
ATOM   3163 C CE   . LYS   B 1 87  ? -24.633 -24.98  -33.876 1   46.68   ? 99  LYS   A CE   1 ? 
ATOM   3164 N NZ   . LYS   B 1 87  ? -25.99  -25.339 -33.44  1   52.173  ? 99  LYS   A NZ   1 ? 
ATOM   3165 H H    . LYS   B 1 87  ? -22.349 -19.705 -36.671 1   28.623  ? 99  LYS   A H    1 c 
ATOM   3166 H HA   . LYS   B 1 87  ? -21.243 -21.396 -34.923 1   28.88   ? 99  LYS   A HA   1 c 
ATOM   3167 H HB2  . LYS   B 1 87  ? -23.61  -21.185 -35.208 1   31.191  ? 99  LYS   A HB2  1 c 
ATOM   3168 H HB3  . LYS   B 1 87  ? -23.499 -22.029 -36.548 1   31.156  ? 99  LYS   A HB3  1 c 
ATOM   3169 H HG2  . LYS   B 1 87  ? -22.829 -23.896 -35.393 1   34.778  ? 99  LYS   A HG2  1 c 
ATOM   3170 H HG3  . LYS   B 1 87  ? -22.695 -23.075 -34.051 1   34.46   ? 99  LYS   A HG3  1 c 
ATOM   3171 H HD2  . LYS   B 1 87  ? -24.993 -22.956 -33.814 1   41.117  ? 99  LYS   A HD2  1 c 
ATOM   3172 H HD3  . LYS   B 1 87  ? -25.216 -23.579 -35.264 1   41.141  ? 99  LYS   A HD3  1 c 
ATOM   3173 H HE2  . LYS   B 1 87  ? -24.325 -25.625 -34.537 1   46.63   ? 99  LYS   A HE2  1 c 
ATOM   3174 H HE3  . LYS   B 1 87  ? -24.034 -25.011 -33.11  1   46.51   ? 99  LYS   A HE3  1 c 
ATOM   3175 H HZ1  . LYS   B 1 87  ? -26.553 -25.332 -34.15  1   50.968  ? 99  LYS   A HZ1  1 c 
ATOM   3176 H HZ2  . LYS   B 1 87  ? -26.281 -24.741 -32.824 1   50.7    ? 99  LYS   A HZ2  1 c 
ATOM   3177 H HZ3  . LYS   B 1 87  ? -25.984 -26.166 -33.072 1   50.666  ? 99  LYS   A HZ3  1 c 
ATOM   3178 N N    . GLY   B 1 88  ? -19.948 -23.195 -36.028 1   30.491  ? 100 GLY   A N    1 ? 
ATOM   3179 C CA   . GLY   B 1 88  ? -19.158 -24.184 -36.743 1   31.177  ? 100 GLY   A CA   1 ? 
ATOM   3180 C C    . GLY   B 1 88  ? -17.851 -23.627 -37.309 1   28.224  ? 100 GLY   A C    1 ? 
ATOM   3181 O O    . GLY   B 1 88  ? -16.987 -24.387 -37.739 1   33.768  ? 100 GLY   A O    1 ? 
ATOM   3182 H H    . GLY   B 1 88  ? -19.814 -23.084 -35.131 1   30.361  ? 100 GLY   A H    1 c 
ATOM   3183 H HA2  . GLY   B 1 88  ? -18.95  -24.925 -36.126 1   30.61   ? 100 GLY   A HA2  1 c 
ATOM   3184 H HA3  . GLY   B 1 88  ? -19.698 -24.555 -37.479 1   30.316  ? 100 GLY   A HA3  1 c 
ATOM   3185 N N    . GLU   B 1 89  ? -17.665 -22.3   -37.245 1   28.718  ? 101 GLU   A N    1 ? 
ATOM   3186 C CA   . GLU   B 1 89  ? -16.461 -21.685 -37.772 1   25.242  ? 101 GLU   A CA   1 ? 
ATOM   3187 C C    . GLU   B 1 89  ? -15.273 -21.976 -36.846 1   25.252  ? 101 GLU   A C    1 ? 
ATOM   3188 O O    . GLU   B 1 89  ? -15.409 -22.048 -35.622 1   25.636  ? 101 GLU   A O    1 ? 
ATOM   3189 C CB   . GLU   B 1 89  ? -16.636 -20.171 -37.832 1   26.435  ? 101 GLU   A CB   1 ? 
ATOM   3190 C CG   . GLU   B 1 89  ? -15.481 -19.412 -38.471 1   26.051  ? 101 GLU   A CG   1 ? 
ATOM   3191 C CD   . GLU   B 1 89  ? -15.749 -17.907 -38.556 1   25.003  ? 101 GLU   A CD   1 ? 
ATOM   3192 O OE1  . GLU   B 1 89  ? -16.879 -17.537 -38.955 1   27.136  ? 101 GLU   A OE1  1 ? 
ATOM   3193 O OE2  . GLU   B 1 89  ? -14.875 -17.094 -38.197 1   25.385  ? 101 GLU   A OE2  1 ? 
ATOM   3194 H H    . GLU   B 1 89  ? -18.299 -21.768 -36.857 1   28.001  ? 101 GLU   A H    1 c 
ATOM   3195 H HA   . GLU   B 1 89  ? -16.283 -22.048 -38.674 1   26.09   ? 101 GLU   A HA   1 c 
ATOM   3196 H HB2  . GLU   B 1 89  ? -17.456 -19.973 -38.33  1   26.18   ? 101 GLU   A HB2  1 c 
ATOM   3197 H HB3  . GLU   B 1 89  ? -16.756 -19.835 -36.919 1   26.21   ? 101 GLU   A HB3  1 c 
ATOM   3198 H HG2  . GLU   B 1 89  ? -14.665 -19.557 -37.948 1   25.704  ? 101 GLU   A HG2  1 c 
ATOM   3199 H HG3  . GLU   B 1 89  ? -15.329 -19.756 -39.376 1   25.941  ? 101 GLU   A HG3  1 c 
ATOM   3200 N N    . ILE   B 1 90  ? -14.099 -22.152 -37.465 1   25.982  ? 102 ILE   A N    1 ? 
ATOM   3201 C CA   . ILE   B 1 90  ? -12.836 -22.176 -36.745 1   25.512  ? 102 ILE   A CA   1 ? 
ATOM   3202 C C    . ILE   B 1 90  ? -12.01  -21.021 -37.274 1   24.724  ? 102 ILE   A C    1 ? 
ATOM   3203 O O    . ILE   B 1 90  ? -11.891 -20.862 -38.5   1   28.914  ? 102 ILE   A O    1 ? 
ATOM   3204 C CB   . ILE   B 1 90  ? -12.058 -23.502 -36.9   1   27.47   ? 102 ILE   A CB   1 ? 
ATOM   3205 C CG1  . ILE   B 1 90  ? -12.905 -24.675 -36.468 1   29.885  ? 102 ILE   A CG1  1 ? 
ATOM   3206 C CG2  . ILE   B 1 90  ? -10.762 -23.447 -36.082 1   28.429  ? 102 ILE   A CG2  1 ? 
ATOM   3207 C CD1  . ILE   B 1 90  ? -12.295 -26.03  -36.757 1   30.977  ? 102 ILE   A CD1  1 ? 
ATOM   3208 H H    . ILE   B 1 90  ? -14.086 -22.262 -38.372 1   25.461  ? 102 ILE   A H    1 c 
ATOM   3209 H HA   . ILE   B 1 90  ? -13.014 -22.031 -35.799 1   25.867  ? 102 ILE   A HA   1 c 
ATOM   3210 H HB   . ILE   B 1 90  ? -11.828 -23.618 -37.843 1   27.348  ? 102 ILE   A HB   1 c 
ATOM   3211 H HG12 . ILE   B 1 90  ? -13.068 -24.604 -35.506 1   29.617  ? 102 ILE   A HG12 1 c 
ATOM   3212 H HG13 . ILE   B 1 90  ? -13.771 -24.621 -36.921 1   29.544  ? 102 ILE   A HG13 1 c 
ATOM   3213 H HG21 . ILE   B 1 90  ? -10.321 -24.309 -36.109 1   27.955  ? 102 ILE   A HG21 1 c 
ATOM   3214 H HG22 . ILE   B 1 90  ? -10.97  -23.222 -35.16  1   28.357  ? 102 ILE   A HG22 1 c 
ATOM   3215 H HG23 . ILE   B 1 90  ? -10.17  -22.772 -36.452 1   28.085  ? 102 ILE   A HG23 1 c 
ATOM   3216 H HD11 . ILE   B 1 90  ? -12.102 -26.106 -37.71  1   30.766  ? 102 ILE   A HD11 1 c 
ATOM   3217 H HD12 . ILE   B 1 90  ? -12.927 -26.728 -36.498 1   30.693  ? 102 ILE   A HD12 1 c 
ATOM   3218 H HD13 . ILE   B 1 90  ? -11.469 -26.142 -36.249 1   30.727  ? 102 ILE   A HD13 1 c 
ATOM   3219 N N    . ALA   B 1 91  ? -11.437 -20.243 -36.348 1   23.186  ? 103 ALA   A N    1 ? 
ATOM   3220 C CA   . ALA   B 1 91  ? -10.644 -19.077 -36.694 1   23.037  ? 103 ALA   A CA   1 ? 
ATOM   3221 C C    . ALA   B 1 91  ? -9.346  -19.065 -35.891 1   20.195  ? 103 ALA   A C    1 ? 
ATOM   3222 O O    . ALA   B 1 91  ? -9.28   -19.609 -34.79  1   20.869  ? 103 ALA   A O    1 ? 
ATOM   3223 C CB   . ALA   B 1 91  ? -11.434 -17.793 -36.45  1   23.188  ? 103 ALA   A CB   1 ? 
ATOM   3224 H H    . ALA   B 1 91  ? -11.545 -20.449 -35.464 1   23.652  ? 103 ALA   A H    1 c 
ATOM   3225 H HA   . ALA   B 1 91  ? -10.411 -19.136 -37.66  1   22.272  ? 103 ALA   A HA   1 c 
ATOM   3226 H HB1  . ALA   B 1 91  ? -12.242 -17.799 -36.99  1   23.205  ? 103 ALA   A HB1  1 c 
ATOM   3227 H HB2  . ALA   B 1 91  ? -11.675 -17.731 -35.511 1   23.312  ? 103 ALA   A HB2  1 c 
ATOM   3228 H HB3  . ALA   B 1 91  ? -10.891 -17.024 -36.693 1   23.099  ? 103 ALA   A HB3  1 c 
ATOM   3229 N N    . HIS   B 1 92  ? -8.355  -18.41  -36.456 1   20.816  ? 104 HIS   A N    1 ? 
ATOM   3230 C CA   . HIS   B 1 92  ? -7.125  -18.043 -35.789 1   19.605  ? 104 HIS   A CA   1 ? 
ATOM   3231 C C    . HIS   B 1 92  ? -7.154  -16.544 -35.519 1   20.411  ? 104 HIS   A C    1 ? 
ATOM   3232 O O    . HIS   B 1 92  ? -7.467  -15.756 -36.423 1   21.853  ? 104 HIS   A O    1 ? 
ATOM   3233 C CB   . HIS   B 1 92  ? -5.913  -18.364 -36.673 1   20.697  ? 104 HIS   A CB   1 ? 
ATOM   3234 C CG   . HIS   B 1 92  ? -5.577  -19.802 -36.718 1   20.062  ? 104 HIS   A CG   1 ? 
ATOM   3235 N ND1  . HIS   B 1 92  ? -4.551  -20.336 -37.472 1   21.187  ? 104 HIS   A ND1  1 ? 
ATOM   3236 C CD2  . HIS   B 1 92  ? -6.13   -20.827 -36.031 1   18.334  ? 104 HIS   A CD2  1 ? 
ATOM   3237 C CE1  . HIS   B 1 92  ? -4.521  -21.635 -37.246 1   19.884  ? 104 HIS   A CE1  1 ? 
ATOM   3238 N NE2  . HIS   B 1 92  ? -5.419  -21.968 -36.33  1   19.124  ? 104 HIS   A NE2  1 ? 
ATOM   3239 H H    . HIS   B 1 92  ? -8.449  -18.169 -37.332 1   20.526  ? 104 HIS   A H    1 c 
ATOM   3240 H HA   . HIS   B 1 92  ? -7.058  -18.522 -34.93  1   20.172  ? 104 HIS   A HA   1 c 
ATOM   3241 H HB2  . HIS   B 1 92  ? -6.096  -18.05  -37.585 1   20.372  ? 104 HIS   A HB2  1 c 
ATOM   3242 H HB3  . HIS   B 1 92  ? -5.135  -17.867 -36.336 1   20.421  ? 104 HIS   A HB3  1 c 
ATOM   3243 H HD1  . HIS   B 1 92  ? -4.005  -19.876 -38.004 0   21.06   ? 104 HIS   A HD1  1 c 
ATOM   3244 H HD2  . HIS   B 1 92  ? -6.826  -20.772 -35.406 1   18.828  ? 104 HIS   A HD2  1 c 
ATOM   3245 H HE1  . HIS   B 1 92  ? -3.905  -22.223 -37.643 1   20.081  ? 104 HIS   A HE1  1 c 
ATOM   3246 H HE2  . HIS   B 1 92  ? -5.529  -22.757 -35.992 0   18.83   ? 104 HIS   A HE2  1 c 
ATOM   3247 N N    . LEU   B 1 93  ? -6.791  -16.158 -34.291 1   19.305  ? 105 LEU   A N    1 ? 
ATOM   3248 C CA   . LEU   B 1 93  ? -6.646  -14.759 -33.893 1   18.796  ? 105 LEU   A CA   1 ? 
ATOM   3249 C C    . LEU   B 1 93  ? -5.213  -14.53  -33.412 1   17.704  ? 105 LEU   A C    1 ? 
ATOM   3250 O O    . LEU   B 1 93  ? -4.686  -15.291 -32.58  1   19.742  ? 105 LEU   A O    1 ? 
ATOM   3251 C CB   . LEU   B 1 93  ? -7.59   -14.361 -32.762 1   17.561  ? 105 LEU   A CB   1 ? 
ATOM   3252 C CG   . LEU   B 1 93  ? -9.089  -14.507 -33.02  1   19.46   ? 105 LEU   A CG   1 ? 
ATOM   3253 C CD1  . LEU   B 1 93  ? -9.847  -14.073 -31.761 1   20.086  ? 105 LEU   A CD1  1 ? 
ATOM   3254 C CD2  . LEU   B 1 93  ? -9.527  -13.703 -34.222 1   19.241  ? 105 LEU   A CD2  1 ? 
ATOM   3255 H H    . LEU   B 1 93  ? -6.623  -16.801 -33.664 1   19.279  ? 105 LEU   A H    1 c 
ATOM   3256 H HA   . LEU   B 1 93  ? -6.818  -14.187 -34.679 1   18.597  ? 105 LEU   A HA   1 c 
ATOM   3257 H HB2  . LEU   B 1 93  ? -7.361  -14.9   -31.971 1   17.941  ? 105 LEU   A HB2  1 c 
ATOM   3258 H HB3  . LEU   B 1 93  ? -7.409  -13.42  -32.532 1   18.099  ? 105 LEU   A HB3  1 c 
ATOM   3259 H HG   . LEU   B 1 93  ? -9.286  -15.464 -33.192 1   19.158  ? 105 LEU   A HG   1 c 
ATOM   3260 H HD11 . LEU   B 1 93  ? -9.582  -14.633 -31.012 1   20.033  ? 105 LEU   A HD11 1 c 
ATOM   3261 H HD12 . LEU   B 1 93  ? -10.803 -14.163 -31.91  1   19.897  ? 105 LEU   A HD12 1 c 
ATOM   3262 H HD13 . LEU   B 1 93  ? -9.638  -13.145 -31.559 1   20.006  ? 105 LEU   A HD13 1 c 
ATOM   3263 H HD21 . LEU   B 1 93  ? -9.097  -14.05  -35.021 1   19.399  ? 105 LEU   A HD21 1 c 
ATOM   3264 H HD22 . LEU   B 1 93  ? -9.277  -12.772 -34.098 1   19.307  ? 105 LEU   A HD22 1 c 
ATOM   3265 H HD23 . LEU   B 1 93  ? -10.492 -13.768 -34.321 1   19.33   ? 105 LEU   A HD23 1 c 
ATOM   3266 N N    . LEU   B 1 94  ? -4.624  -13.426 -33.854 1   18.318  ? 106 LEU   A N    1 ? 
ATOM   3267 C CA   . LEU   B 1 94  ? -3.366  -12.922 -33.342 1   17.826  ? 106 LEU   A CA   1 ? 
ATOM   3268 C C    . LEU   B 1 94  ? -3.661  -11.544 -32.755 1   18.58   ? 106 LEU   A C    1 ? 
ATOM   3269 O O    . LEU   B 1 94  ? -4.279  -10.691 -33.408 1   18.824  ? 106 LEU   A O    1 ? 
ATOM   3270 C CB   . LEU   B 1 94  ? -2.302  -12.834 -34.427 1   20.182  ? 106 LEU   A CB   1 ? 
ATOM   3271 C CG   . LEU   B 1 94  ? -0.891  -12.52  -33.955 1   20.459  ? 106 LEU   A CG   1 ? 
ATOM   3272 C CD1  . LEU   B 1 94  ? -0.303  -13.604 -33.064 1   19.502  ? 106 LEU   A CD1  1 ? 
ATOM   3273 C CD2  . LEU   B 1 94  ? -0.014  -12.323 -35.167 1   24.283  ? 106 LEU   A CD2  1 ? 
ATOM   3274 H H    . LEU   B 1 94  ? -5.033  -12.955 -34.521 1   18.089  ? 106 LEU   A H    1 c 
ATOM   3275 H HA   . LEU   B 1 94  ? -3.053  -13.523 -32.62  1   18.335  ? 106 LEU   A HA   1 c 
ATOM   3276 H HB2  . LEU   B 1 94  ? -2.283  -13.694 -34.909 1   19.823  ? 106 LEU   A HB2  1 c 
ATOM   3277 H HB3  . LEU   B 1 94  ? -2.576  -12.14  -35.07  1   19.833  ? 106 LEU   A HB3  1 c 
ATOM   3278 H HG   . LEU   B 1 94  ? -0.913  -11.671 -33.443 1   20.538  ? 106 LEU   A HG   1 c 
ATOM   3279 H HD11 . LEU   B 1 94  ? -0.84   -13.694 -32.26  1   19.853  ? 106 LEU   A HD11 1 c 
ATOM   3280 H HD12 . LEU   B 1 94  ? 0.607   -13.364 -32.819 1   19.624  ? 106 LEU   A HD12 1 c 
ATOM   3281 H HD13 . LEU   B 1 94  ? -0.295  -14.45  -33.543 1   19.708  ? 106 LEU   A HD13 1 c 
ATOM   3282 H HD21 . LEU   B 1 94  ? -0.355  -11.585 -35.699 1   23.289  ? 106 LEU   A HD21 1 c 
ATOM   3283 H HD22 . LEU   B 1 94  ? -0.013  -13.134 -35.703 1   23.457  ? 106 LEU   A HD22 1 c 
ATOM   3284 H HD23 . LEU   B 1 94  ? 0.894   -12.123 -34.882 1   23.21   ? 106 LEU   A HD23 1 c 
ATOM   3285 N N    . ILE   B 1 95  ? -3.239  -11.354 -31.502 1   17.447  ? 107 ILE   A N    1 ? 
ATOM   3286 C CA   . ILE   B 1 95  ? -3.727  -10.264 -30.688 1   16.748  ? 107 ILE   A CA   1 ? 
ATOM   3287 C C    . ILE   B 1 95  ? -2.576  -9.481  -30.074 1   17.991  ? 107 ILE   A C    1 ? 
ATOM   3288 O O    . ILE   B 1 95  ? -1.774  -10.028 -29.304 1   17.658  ? 107 ILE   A O    1 ? 
ATOM   3289 C CB   . ILE   B 1 95  ? -4.601  -10.843 -29.567 1   16.056  ? 107 ILE   A CB   1 ? 
ATOM   3290 C CG1  . ILE   B 1 95  ? -5.761  -11.669 -30.105 1   17.568  ? 107 ILE   A CG1  1 ? 
ATOM   3291 C CG2  . ILE   B 1 95  ? -5.092  -9.732  -28.652 1   16.473  ? 107 ILE   A CG2  1 ? 
ATOM   3292 C CD1  . ILE   B 1 95  ? -6.306  -12.603 -29.08  1   18.183  ? 107 ILE   A CD1  1 ? 
ATOM   3293 H H    . ILE   B 1 95  ? -2.619  -11.924 -31.146 1   17.37   ? 107 ILE   A H    1 c 
ATOM   3294 H HA   . ILE   B 1 95  ? -4.269  -9.668  -31.238 1   16.848  ? 107 ILE   A HA   1 c 
ATOM   3295 H HB   . ILE   B 1 95  ? -4.038  -11.439 -29.034 1   16.442  ? 107 ILE   A HB   1 c 
ATOM   3296 H HG12 . ILE   B 1 95  ? -6.473  -11.067 -30.401 1   17.403  ? 107 ILE   A HG12 1 c 
ATOM   3297 H HG13 . ILE   B 1 95  ? -5.46   -12.187 -30.878 1   17.256  ? 107 ILE   A HG13 1 c 
ATOM   3298 H HG21 . ILE   B 1 95  ? -5.703  -10.098 -27.992 1   16.43   ? 107 ILE   A HG21 1 c 
ATOM   3299 H HG22 . ILE   B 1 95  ? -5.552  -9.057  -29.178 1   16.437  ? 107 ILE   A HG22 1 c 
ATOM   3300 H HG23 . ILE   B 1 95  ? -4.337  -9.325  -28.196 1   16.365  ? 107 ILE   A HG23 1 c 
ATOM   3301 H HD11 . ILE   B 1 95  ? -5.595  -13.197 -28.772 1   18.006  ? 107 ILE   A HD11 1 c 
ATOM   3302 H HD12 . ILE   B 1 95  ? -7.023  -13.135 -29.474 1   18.046  ? 107 ILE   A HD12 1 c 
ATOM   3303 H HD13 . ILE   B 1 95  ? -6.657  -12.099 -28.322 1   18.013  ? 107 ILE   A HD13 1 c 
ATOM   3304 N N    . LYS   B 1 96  ? -2.554  -8.178  -30.355 1   17.876  ? 108 LYS   A N    1 ? 
ATOM   3305 C CA   . LYS   B 1 96  ? -1.595  -7.276  -29.745 1   18.853  ? 108 LYS   A CA   1 ? 
ATOM   3306 C C    . LYS   B 1 96  ? -1.955  -7.014  -28.281 1   18.229  ? 108 LYS   A C    1 ? 
ATOM   3307 O O    . LYS   B 1 96  ? -3.108  -7.141  -27.889 1   17.298  ? 108 LYS   A O    1 ? 
ATOM   3308 C CB   . LYS   B 1 96  ? -1.54   -5.964  -30.536 1   21.801  ? 108 LYS   A CB   1 ? 
ATOM   3309 C CG   . LYS   B 1 96  ? -1.018  -6.105  -31.962 1   24.918  ? 108 LYS   A CG   1 ? 
ATOM   3310 C CD   . LYS   B 1 96  ? -0.868  -4.743  -32.637 1   29.294  ? 108 LYS   A CD   1 ? 
ATOM   3311 C CE   . LYS   B 1 96  ? -0.251  -4.741  -34.01  1   32.268  ? 108 LYS   A CE   1 ? 
ATOM   3312 N NZ   . LYS   B 1 96  ? -0.185  -3.347  -34.5   1   37.757  ? 108 LYS   A NZ   1 ? 
ATOM   3313 H H    . LYS   B 1 96  ? -3.159  -7.838  -30.951 1   18.124  ? 108 LYS   A H    1 c 
ATOM   3314 H HA   . LYS   B 1 96  ? -0.703  -7.704  -29.782 1   18.826  ? 108 LYS   A HA   1 c 
ATOM   3315 H HB2  . LYS   B 1 96  ? -2.443  -5.581  -30.572 1   21.498  ? 108 LYS   A HB2  1 c 
ATOM   3316 H HB3  . LYS   B 1 96  ? -0.967  -5.329  -30.057 1   21.486  ? 108 LYS   A HB3  1 c 
ATOM   3317 H HG2  . LYS   B 1 96  ? -0.148  -6.559  -31.941 1   24.555  ? 108 LYS   A HG2  1 c 
ATOM   3318 H HG3  . LYS   B 1 96  ? -1.644  -6.657  -32.477 1   24.795  ? 108 LYS   A HG3  1 c 
ATOM   3319 H HD2  . LYS   B 1 96  ? -1.756  -4.328  -32.695 1   28.827  ? 108 LYS   A HD2  1 c 
ATOM   3320 H HD3  . LYS   B 1 96  ? -0.325  -4.171  -32.051 1   28.423  ? 108 LYS   A HD3  1 c 
ATOM   3321 H HE2  . LYS   B 1 96  ? 0.648   -5.113  -33.973 1   32.044  ? 108 LYS   A HE2  1 c 
ATOM   3322 H HE3  . LYS   B 1 96  ? -0.785  -5.276  -34.624 1   32.498  ? 108 LYS   A HE3  1 c 
ATOM   3323 H HZ1  . LYS   B 1 96  ? 0.309   -2.845  -33.929 1   36.071  ? 108 LYS   A HZ1  1 c 
ATOM   3324 H HZ2  . LYS   B 1 96  ? -1.021  -3      -34.553 1   36.169  ? 108 LYS   A HZ2  1 c 
ATOM   3325 H HZ3  . LYS   B 1 96  ? 0.198   -3.328  -35.32  1   36.563  ? 108 LYS   A HZ3  1 c 
ATOM   3326 N N    . PRO   B 1 97  ? -0.971  -6.615  -27.44  1   18.363  ? 109 PRO   A N    1 ? 
ATOM   3327 C CA   . PRO   B 1 97  ? -1.228  -6.522  -25.996 1   18.79   ? 109 PRO   A CA   1 ? 
ATOM   3328 C C    . PRO   B 1 97  ? -2.386  -5.588  -25.628 1   18.146  ? 109 PRO   A C    1 ? 
ATOM   3329 O O    . PRO   B 1 97  ? -3.101  -5.827  -24.661 1   19.319  ? 109 PRO   A O    1 ? 
ATOM   3330 C CB   . PRO   B 1 97  ? 0.095   -6.068  -25.397 1   22.621  ? 109 PRO   A CB   1 ? 
ATOM   3331 C CG   . PRO   B 1 97  ? 1.058   -5.979  -26.529 1   22.904  ? 109 PRO   A CG   1 ? 
ATOM   3332 C CD   . PRO   B 1 97  ? 0.437   -6.394  -27.772 1   21.285  ? 109 PRO   A CD   1 ? 
ATOM   3333 H HA   . PRO   B 1 97  ? -1.429  -7.419  -25.656 1   18.982  ? 109 PRO   A HA   1 c 
ATOM   3334 H HB2  . PRO   B 1 97  ? -0.003  -5.199  -24.961 1   21.891  ? 109 PRO   A HB2  1 c 
ATOM   3335 H HB3  . PRO   B 1 97  ? 0.407   -6.711  -24.73  1   21.894  ? 109 PRO   A HB3  1 c 
ATOM   3336 H HG2  . PRO   B 1 97  ? 1.378   -5.059  -26.617 1   22.574  ? 109 PRO   A HG2  1 c 
ATOM   3337 H HG3  . PRO   B 1 97  ? 1.832   -6.547  -26.348 1   22.404  ? 109 PRO   A HG3  1 c 
ATOM   3338 H HD2  . PRO   B 1 97  ? 0.523   -5.7    -28.452 1   20.762  ? 109 PRO   A HD2  1 c 
ATOM   3339 H HD3  . PRO   B 1 97  ? 0.842   -7.218  -28.105 1   20.994  ? 109 PRO   A HD3  1 c 
ATOM   3340 N N    . GLU   B 1 98  ? -2.635  -4.551  -26.414 1   20.178  ? 110 GLU   A N    1 ? 
ATOM   3341 C CA   . GLU   B 1 98  ? -3.682  -3.585  -26.119 1   19.928  ? 110 GLU   A CA   1 ? 
ATOM   3342 C C    . GLU   B 1 98  ? -5.078  -4.223  -26.087 1   19.114  ? 110 GLU   A C    1 ? 
ATOM   3343 O O    . GLU   B 1 98  ? -5.98   -3.704  -25.413 1   19.842  ? 110 GLU   A O    1 ? 
ATOM   3344 C CB   . GLU   B 1 98  ? -3.619  -2.412  -27.106 1   23.111  ? 110 GLU   A CB   1 ? 
ATOM   3345 C CG   . GLU   B 1 98  ? -2.304  -1.636  -27.014 1   29.79   ? 110 GLU   A CG   1 ? 
ATOM   3346 C CD   . GLU   B 1 98  ? -1.018  -2.244  -27.57  1   29.81   ? 110 GLU   A CD   1 ? 
ATOM   3347 O OE1  . GLU   B 1 98  ? -1.048  -3.157  -28.428 1   25.027  ? 110 GLU   A OE1  1 ? 
ATOM   3348 O OE2  . GLU   B 1 98  ? 0.069   -1.744  -27.109 1   36.592  ? 110 GLU   A OE2  1 ? 
ATOM   3349 H H    . GLU   B 1 98  ? -2.144  -4.444  -27.177 1   19.527  ? 110 GLU   A H    1 c 
ATOM   3350 H HA   . GLU   B 1 98  ? -3.5    -3.216  -25.217 1   20.005  ? 110 GLU   A HA   1 c 
ATOM   3351 H HB2  . GLU   B 1 98  ? -3.728  -2.758  -28.017 1   23.241  ? 110 GLU   A HB2  1 c 
ATOM   3352 H HB3  . GLU   B 1 98  ? -4.367  -1.805  -26.924 1   23.202  ? 110 GLU   A HB3  1 c 
ATOM   3353 H HG2  . GLU   B 1 98  ? -2.433  -0.771  -27.458 1   28.083  ? 110 GLU   A HG2  1 c 
ATOM   3354 H HG3  . GLU   B 1 98  ? -2.144  -1.431  -26.068 1   28.299  ? 110 GLU   A HG3  1 c 
ATOM   3355 N N    . TYR   B 1 99  ? -5.238  -5.371  -26.757 1   17.598  ? 111 TYR   A N    1 ? 
ATOM   3356 C CA   . TYR   B 1 99  ? -6.499  -6.089  -26.855 1   16.175  ? 111 TYR   A CA   1 ? 
ATOM   3357 C C    . TYR   B 1 99  ? -6.499  -7.377  -26.01  1   15.574  ? 111 TYR   A C    1 ? 
ATOM   3358 O O    . TYR   B 1 99  ? -7.416  -8.194  -26.14  1   15.914  ? 111 TYR   A O    1 ? 
ATOM   3359 C CB   . TYR   B 1 99  ? -6.873  -6.359  -28.318 1   16.394  ? 111 TYR   A CB   1 ? 
ATOM   3360 C CG   . TYR   B 1 99  ? -7.197  -5.06   -29.037 1   18.029  ? 111 TYR   A CG   1 ? 
ATOM   3361 C CD1  . TYR   B 1 99  ? -6.202  -4.313  -29.633 1   18.755  ? 111 TYR   A CD1  1 ? 
ATOM   3362 C CD2  . TYR   B 1 99  ? -8.503  -4.615  -29.168 1   18.219  ? 111 TYR   A CD2  1 ? 
ATOM   3363 C CE1  . TYR   B 1 99  ? -6.495  -3.135  -30.293 1   19.314  ? 111 TYR   A CE1  1 ? 
ATOM   3364 C CE2  . TYR   B 1 99  ? -8.801  -3.422  -29.826 1   20.034  ? 111 TYR   A CE2  1 ? 
ATOM   3365 C CZ   . TYR   B 1 99  ? -7.79   -2.687  -30.4   1   19.703  ? 111 TYR   A CZ   1 ? 
ATOM   3366 O OH   . TYR   B 1 99  ? -8.063  -1.532  -31.069 1   24      ? 111 TYR   A OH   1 ? 
ATOM   3367 H H    . TYR   B 1 99  ? -4.519  -5.718  -27.2   1   17.637  ? 111 TYR   A H    1 c 
ATOM   3368 H HA   . TYR   B 1 99  ? -7.203  -5.497  -26.482 1   16.385  ? 111 TYR   A HA   1 c 
ATOM   3369 H HB2  . TYR   B 1 99  ? -6.119  -6.802  -28.766 1   16.587  ? 111 TYR   A HB2  1 c 
ATOM   3370 H HB3  . TYR   B 1 99  ? -7.657  -6.95   -28.347 1   16.619  ? 111 TYR   A HB3  1 c 
ATOM   3371 H HD1  . TYR   B 1 99  ? -5.304  -4.598  -29.569 1   18.6    ? 111 TYR   A HD1  1 c 
ATOM   3372 H HD2  . TYR   B 1 99  ? -9.203  -5.11   -28.772 1   18.279  ? 111 TYR   A HD2  1 c 
ATOM   3373 H HE1  . TYR   B 1 99  ? -5.799  -2.635  -30.685 1   18.74   ? 111 TYR   A HE1  1 c 
ATOM   3374 H HE2  . TYR   B 1 99  ? -9.694  -3.131  -29.897 1   19.489  ? 111 TYR   A HE2  1 c 
ATOM   3375 H HH   . TYR   B 1 99  ? -7.328  -1.189  -31.365 0   24.25   ? 111 TYR   A HH   1 c 
ATOM   3376 N N    . ALA   B 1 100 ? -5.428  -7.56   -25.231 1   15.516  ? 112 ALA   A N    1 ? 
ATOM   3377 C CA   . ALA   B 1 100 ? -5.231  -8.734  -24.384 1   15.477  ? 112 ALA   A CA   1 ? 
ATOM   3378 C C    . ALA   B 1 100 ? -4.991  -8.257  -22.941 1   15.083  ? 112 ALA   A C    1 ? 
ATOM   3379 O O    . ALA   B 1 100 ? -5.947  -7.825  -22.315 1   17.089  ? 112 ALA   A O    1 ? 
ATOM   3380 C CB   . ALA   B 1 100 ? -4.171  -9.644  -24.934 1   15.538  ? 112 ALA   A CB   1 ? 
ATOM   3381 H H    . ALA   B 1 100 ? -4.783  -6.915  -25.219 1   15.405  ? 112 ALA   A H    1 c 
ATOM   3382 H HA   . ALA   B 1 100 ? -6.089  -9.241  -24.379 1   15.444  ? 112 ALA   A HA   1 c 
ATOM   3383 H HB1  . ALA   B 1 100 ? -4.476  -10.031 -25.772 1   15.503  ? 112 ALA   A HB1  1 c 
ATOM   3384 H HB2  . ALA   B 1 100 ? -3.356  -9.139  -25.094 1   15.603  ? 112 ALA   A HB2  1 c 
ATOM   3385 H HB3  . ALA   B 1 100 ? -3.989  -10.357 -24.298 1   15.402  ? 112 ALA   A HB3  1 c 
ATOM   3386 N N    . TYR   B 1 101 ? -3.75   -8.304  -22.464 1   15.566  ? 113 TYR   A N    1 ? 
ATOM   3387 C CA   . TYR   B 1 101 ? -3.442  -7.983  -21.081 1   15.513  ? 113 TYR   A CA   1 ? 
ATOM   3388 C C    . TYR   B 1 101 ? -2.562  -6.742  -20.932 1   17.133  ? 113 TYR   A C    1 ? 
ATOM   3389 O O    . TYR   B 1 101 ? -2.248  -6.348  -19.814 1   19.461  ? 113 TYR   A O    1 ? 
ATOM   3390 C CB   . TYR   B 1 101 ? -2.827  -9.18   -20.35  1   16.557  ? 113 TYR   A CB   1 ? 
ATOM   3391 C CG   . TYR   B 1 101 ? -3.786  -10.343 -20.349 1   15.37   ? 113 TYR   A CG   1 ? 
ATOM   3392 C CD1  . TYR   B 1 101 ? -4.783  -10.387 -19.423 1   15.722  ? 113 TYR   A CD1  1 ? 
ATOM   3393 C CD2  . TYR   B 1 101 ? -3.727  -11.359 -21.306 1   15.465  ? 113 TYR   A CD2  1 ? 
ATOM   3394 C CE1  . TYR   B 1 101 ? -5.714  -11.409 -19.411 1   15.165  ? 113 TYR   A CE1  1 ? 
ATOM   3395 C CE2  . TYR   B 1 101 ? -4.643  -12.404 -21.283 1   15.099  ? 113 TYR   A CE2  1 ? 
ATOM   3396 C CZ   . TYR   B 1 101 ? -5.642  -12.442 -20.318 1   14.44   ? 113 TYR   A CZ   1 ? 
ATOM   3397 O OH   . TYR   B 1 101 ? -6.59   -13.429 -20.331 1   15.429  ? 113 TYR   A OH   1 ? 
ATOM   3398 H H    . TYR   B 1 101 ? -3.064  -8.547  -23.017 1   15.292  ? 113 TYR   A H    1 c 
ATOM   3399 H HA   . TYR   B 1 101 ? -4.302  -7.782  -20.63  1   15.956  ? 113 TYR   A HA   1 c 
ATOM   3400 H HB2  . TYR   B 1 101 ? -1.994  -9.44   -20.802 1   16.147  ? 113 TYR   A HB2  1 c 
ATOM   3401 H HB3  . TYR   B 1 101 ? -2.624  -8.922  -19.423 1   16.21   ? 113 TYR   A HB3  1 c 
ATOM   3402 H HD1  . TYR   B 1 101 ? -4.85   -9.696  -18.785 1   15.521  ? 113 TYR   A HD1  1 c 
ATOM   3403 H HD2  . TYR   B 1 101 ? -3.044  -11.352 -21.957 1   15.346  ? 113 TYR   A HD2  1 c 
ATOM   3404 H HE1  . TYR   B 1 101 ? -6.39   -11.415 -18.757 1   14.952  ? 113 TYR   A HE1  1 c 
ATOM   3405 H HE2  . TYR   B 1 101 ? -4.594  -13.085 -21.93  1   14.975  ? 113 TYR   A HE2  1 c 
ATOM   3406 H HH   . TYR   B 1 101 ? -7.168  -13.285 -19.712 0   15.76   ? 113 TYR   A HH   1 c 
ATOM   3407 N N    . GLY   B 1 102 ? -2.181  -6.087  -22.021 1   17.922  ? 114 GLY   A N    1 ? 
ATOM   3408 C CA   . GLY   B 1 102 ? -1.644  -4.74   -21.934 1   19.667  ? 114 GLY   A CA   1 ? 
ATOM   3409 C C    . GLY   B 1 102 ? -0.243  -4.689  -21.347 1   19.565  ? 114 GLY   A C    1 ? 
ATOM   3410 O O    . GLY   B 1 102 ? 0.462   -5.686  -21.246 1   20.406  ? 114 GLY   A O    1 ? 
ATOM   3411 H H    . GLY   B 1 102 ? -2.246  -6.485  -22.841 1   18.005  ? 114 GLY   A H    1 c 
ATOM   3412 H HA2  . GLY   B 1 102 ? -1.63   -4.346  -22.838 1   19.311  ? 114 GLY   A HA2  1 c 
ATOM   3413 H HA3  . GLY   B 1 102 ? -2.249  -4.193  -21.379 1   19.314  ? 114 GLY   A HA3  1 c 
ATOM   3414 N N    . SER   B 1 103 ? 0.119   -3.48   -20.894 1   21.742  ? 115 SER   A N    1 ? 
ATOM   3415 C CA   . SER   B 1 103 ? 1.428   -3.266  -20.312 1   23.448  ? 115 SER   A CA   1 ? 
ATOM   3416 C C    . SER   B 1 103 ? 1.509   -3.88   -18.934 1   22.157  ? 115 SER   A C    1 ? 
ATOM   3417 O O    . SER   B 1 103 ? 2.588   -4.305  -18.537 1   24.577  ? 115 SER   A O    1 ? 
ATOM   3418 C CB   . SER   B 1 103 ? 1.816   -1.828  -20.302 1   26.43   ? 115 SER   A CB   1 ? 
ATOM   3419 O OG   . SER   B 1 103 ? 0.849   -1.098  -19.581 1   30.622  ? 115 SER   A OG   1 ? 
ATOM   3420 H H    . SER   B 1 103 ? -0.463  -2.777  -20.952 1   21.315  ? 115 SER   A H    1 c 
ATOM   3421 H HA   . SER   B 1 103 ? 2.082   -3.743  -20.879 1   23.399  ? 115 SER   A HA   1 c 
ATOM   3422 H HB2  . SER   B 1 103 ? 2.69    -1.725  -19.881 1   26.288  ? 115 SER   A HB2  1 c 
ATOM   3423 H HB3  . SER   B 1 103 ? 1.866   -1.494  -21.218 1   26.331  ? 115 SER   A HB3  1 c 
ATOM   3424 H HG   . SER   B 1 103 ? 1.085   -0.274  -19.612 0   30.63   ? 115 SER   A HG   1 c 
ATOM   3425 N N    . ALA   B 1 104 ? 0.367   -3.964  -18.243 1   22.433  ? 116 ALA   A N    1 ? 
ATOM   3426 C CA   . ALA   B 1 104 ? 0.404   -4.563  -16.915 1   23.053  ? 116 ALA   A CA   1 ? 
ATOM   3427 C C    . ALA   B 1 104 ? 0.639   -6.065  -16.981 1   19.695  ? 116 ALA   A C    1 ? 
ATOM   3428 O O    . ALA   B 1 104 ? 1.214   -6.641  -16.041 1   22.408  ? 116 ALA   A O    1 ? 
ATOM   3429 C CB   . ALA   B 1 104 ? -0.904  -4.277  -16.14  1   25.597  ? 116 ALA   A CB   1 ? 
ATOM   3430 H H    . ALA   B 1 104 ? -0.422  -3.651  -18.582 1   22.562  ? 116 ALA   A H    1 c 
ATOM   3431 H HA   . ALA   B 1 104 ? 1.164   -4.156  -16.415 1   22.604  ? 116 ALA   A HA   1 c 
ATOM   3432 H HB1  . ALA   B 1 104 ? -1.022  -3.317  -16.041 1   24.925  ? 116 ALA   A HB1  1 c 
ATOM   3433 H HB2  . ALA   B 1 104 ? -1.66   -4.645  -16.628 1   25.143  ? 116 ALA   A HB2  1 c 
ATOM   3434 H HB3  . ALA   B 1 104 ? -0.859  -4.688  -15.26  1   25.097  ? 116 ALA   A HB3  1 c 
ATOM   3435 N N    . GLY   B 1 105 ? 0.136   -6.719  -18.027 1   18.657  ? 117 GLY   A N    1 ? 
ATOM   3436 C CA   . GLY   B 1 105 ? 0.175   -8.166  -18.041 1   18.113  ? 117 GLY   A CA   1 ? 
ATOM   3437 C C    . GLY   B 1 105 ? -0.804  -8.776  -17.021 1   17.218  ? 117 GLY   A C    1 ? 
ATOM   3438 O O    . GLY   B 1 105 ? -1.735  -8.138  -16.526 1   18.724  ? 117 GLY   A O    1 ? 
ATOM   3439 H H    . GLY   B 1 105 ? -0.234  -6.268  -18.731 1   18.662  ? 117 GLY   A H    1 c 
ATOM   3440 H HA2  . GLY   B 1 105 ? -0.055  -8.484  -18.945 1   18.117  ? 117 GLY   A HA2  1 c 
ATOM   3441 H HA3  . GLY   B 1 105 ? 1.092   -8.467  -17.839 1   18.07   ? 117 GLY   A HA3  1 c 
ATOM   3442 N N    . SER   B 1 106 ? -0.58   -10.061 -16.745 1   17.079  ? 118 SER   A N    1 ? 
ATOM   3443 C CA   . SER   B 1 106 ? -1.344  -10.793 -15.749 1   17.537  ? 118 SER   A CA   1 ? 
ATOM   3444 C C    . SER   B 1 106 ? -0.372  -11.757 -15.09  1   17.09   ? 118 SER   A C    1 ? 
ATOM   3445 O O    . SER   B 1 106 ? -0.431  -12.958 -15.287 1   16.552  ? 118 SER   A O    1 ? 
ATOM   3446 C CB   . SER   B 1 106 ? -2.55   -11.497 -16.321 1   17.485  ? 118 SER   A CB   1 ? 
ATOM   3447 O OG   . SER   B 1 106 ? -3.376  -12.022 -15.294 1   18.244  ? 118 SER   A OG   1 ? 
ATOM   3448 H H    . SER   B 1 106 ? 0.078   -10.502 -17.201 1   17.334  ? 118 SER   A H    1 c 
ATOM   3449 H HA   . SER   B 1 106 ? -1.654  -10.151 -15.061 1   17.138  ? 118 SER   A HA   1 c 
ATOM   3450 H HB2  . SER   B 1 106 ? -3.065  -10.866 -16.859 1   17.629  ? 118 SER   A HB2  1 c 
ATOM   3451 H HB3  . SER   B 1 106 ? -2.255  -12.222 -16.904 1   17.584  ? 118 SER   A HB3  1 c 
ATOM   3452 H HG   . SER   B 1 106 ? -4.042  -12.404 -15.663 0   18.51   ? 118 SER   A HG   1 c 
ATOM   3453 N N    . LEU   B 1 107 ? 0.582   -11.192 -14.348 1   18.453  ? 119 LEU   A N    1 ? 
ATOM   3454 C CA   . LEU   B 1 107 ? 1.7     -11.977 -13.863 1   19.479  ? 119 LEU   A CA   1 ? 
ATOM   3455 C C    . LEU   B 1 107 ? 1.282   -12.803 -12.652 1   16.807  ? 119 LEU   A C    1 ? 
ATOM   3456 O O    . LEU   B 1 107 ? 0.419   -12.391 -11.863 1   19.563  ? 119 LEU   A O    1 ? 
ATOM   3457 C CB   . LEU   B 1 107 ? 2.846   -11.053 -13.478 1   22.247  ? 119 LEU   A CB   1 ? 
ATOM   3458 C CG   . LEU   B 1 107 ? 3.651   -10.522 -14.66  1   22.666  ? 119 LEU   A CG   1 ? 
ATOM   3459 C CD1  . LEU   B 1 107 ? 4.464   -9.32   -14.235 1   29.889  ? 119 LEU   A CD1  1 ? 
ATOM   3460 C CD2  . LEU   B 1 107 ? 4.539   -11.629 -15.18  1   25.592  ? 119 LEU   A CD2  1 ? 
ATOM   3461 H H    . LEU   B 1 107 ? 0.533   -10.303 -14.14  1   18.178  ? 119 LEU   A H    1 c 
ATOM   3462 H HA   . LEU   B 1 107 ? 1.992   -12.582 -14.588 1   19.257  ? 119 LEU   A HA   1 c 
ATOM   3463 H HB2  . LEU   B 1 107 ? 2.474   -10.287 -12.982 1   21.896  ? 119 LEU   A HB2  1 c 
ATOM   3464 H HB3  . LEU   B 1 107 ? 3.454   -11.54  -12.876 1   21.855  ? 119 LEU   A HB3  1 c 
ATOM   3465 H HG   . LEU   B 1 107 ? 3.022   -10.249 -15.377 1   23.773  ? 119 LEU   A HG   1 c 
ATOM   3466 H HD11 . LEU   B 1 107 ? 3.868   -8.618  -13.924 1   27.93   ? 119 LEU   A HD11 1 c 
ATOM   3467 H HD12 . LEU   B 1 107 ? 4.981   -8.994  -14.99  1   27.827  ? 119 LEU   A HD12 1 c 
ATOM   3468 H HD13 . LEU   B 1 107 ? 5.067   -9.573  -13.516 1   27.972  ? 119 LEU   A HD13 1 c 
ATOM   3469 H HD21 . LEU   B 1 107 ? 3.992   -12.364 -15.502 1   24.961  ? 119 LEU   A HD21 1 c 
ATOM   3470 H HD22 . LEU   B 1 107 ? 5.118   -11.945 -14.466 1   24.812  ? 119 LEU   A HD22 1 c 
ATOM   3471 H HD23 . LEU   B 1 107 ? 5.084   -11.291 -15.91  1   24.899  ? 119 LEU   A HD23 1 c 
ATOM   3472 N N    . PRO   B 1 108 ? 1.901   -13.993 -12.45  1   19.012  ? 120 PRO   A N    1 ? 
ATOM   3473 C CA   . PRO   B 1 108 ? 3.058   -14.456 -13.224 1   20.758  ? 120 PRO   A CA   1 ? 
ATOM   3474 C C    . PRO   B 1 108 ? 2.734   -15.163 -14.541 1   19.612  ? 120 PRO   A C    1 ? 
ATOM   3475 O O    . PRO   B 1 108 ? 3.624   -15.434 -15.322 1   22.678  ? 120 PRO   A O    1 ? 
ATOM   3476 C CB   . PRO   B 1 108 ? 3.758   -15.418 -12.278 1   24.798  ? 120 PRO   A CB   1 ? 
ATOM   3477 C CG   . PRO   B 1 108 ? 2.683   -15.866 -11.361 1   25.158  ? 120 PRO   A CG   1 ? 
ATOM   3478 C CD   . PRO   B 1 108 ? 1.694   -14.788 -11.234 1   21.417  ? 120 PRO   A CD   1 ? 
ATOM   3479 H HA   . PRO   B 1 108 ? 3.653   -13.701 -13.402 1   20.7    ? 120 PRO   A HA   1 c 
ATOM   3480 H HB2  . PRO   B 1 108 ? 4.14    -16.174 -12.765 1   24.04   ? 120 PRO   A HB2  1 c 
ATOM   3481 H HB3  . PRO   B 1 108 ? 4.47    -14.966 -11.785 1   23.916  ? 120 PRO   A HB3  1 c 
ATOM   3482 H HG2  . PRO   B 1 108 ? 2.253   -16.671 -11.714 1   24.378  ? 120 PRO   A HG2  1 c 
ATOM   3483 H HG3  . PRO   B 1 108 ? 3.056   -16.081 -10.483 1   24.464  ? 120 PRO   A HG3  1 c 
ATOM   3484 H HD2  . PRO   B 1 108 ? 0.785   -15.142 -11.2   1   21.35   ? 120 PRO   A HD2  1 c 
ATOM   3485 H HD3  . PRO   B 1 108 ? 1.859   -14.249 -10.436 1   21.17   ? 120 PRO   A HD3  1 c 
ATOM   3486 N N    . LYS   B 1 109 ? 1.465   -15.422 -14.825 1   19.15   ? 121 LYS   A N    1 ? 
ATOM   3487 C CA   . LYS   B 1 109 ? 1.13    -16.225 -15.989 1   19.079  ? 121 LYS   A CA   1 ? 
ATOM   3488 C C    . LYS   B 1 109 ? 1.465   -15.509 -17.308 1   20.205  ? 121 LYS   A C    1 ? 
ATOM   3489 O O    . LYS   B 1 109 ? 1.98    -16.119 -18.232 1   22.486  ? 121 LYS   A O    1 ? 
ATOM   3490 C CB   . LYS   B 1 109 ? -0.337  -16.608 -15.938 1   19.349  ? 121 LYS   A CB   1 ? 
ATOM   3491 C CG   . LYS   B 1 109 ? -0.74   -17.522 -17.089 1   22.906  ? 121 LYS   A CG   1 ? 
ATOM   3492 C CD   . LYS   B 1 109 ? -2.229  -17.79  -17.046 1   26.407  ? 121 LYS   A CD   1 ? 
ATOM   3493 C CE   . LYS   B 1 109 ? -2.742  -18.425 -15.784 1   29.265  ? 121 LYS   A CE   1 ? 
ATOM   3494 N NZ   . LYS   B 1 109 ? -2.195  -19.76  -15.517 1   30.135  ? 121 LYS   A NZ   1 ? 
ATOM   3495 H H    . LYS   B 1 109 ? 0.795   -15.1   -14.294 1   19.376  ? 121 LYS   A H    1 c 
ATOM   3496 H HA   . LYS   B 1 109 ? 1.663   -17.06  -15.948 1   19.286  ? 121 LYS   A HA   1 c 
ATOM   3497 H HB2  . LYS   B 1 109 ? -0.517  -17.064 -15.089 1   19.71   ? 121 LYS   A HB2  1 c 
ATOM   3498 H HB3  . LYS   B 1 109 ? -0.886  -15.795 -15.97  1   19.869  ? 121 LYS   A HB3  1 c 
ATOM   3499 H HG2  . LYS   B 1 109 ? -0.509  -17.095 -17.942 1   22.636  ? 121 LYS   A HG2  1 c 
ATOM   3500 H HG3  . LYS   B 1 109 ? -0.249  -18.369 -17.017 1   22.715  ? 121 LYS   A HG3  1 c 
ATOM   3501 H HD2  . LYS   B 1 109 ? -2.699  -16.939 -17.181 1   26.08   ? 121 LYS   A HD2  1 c 
ATOM   3502 H HD3  . LYS   B 1 109 ? -2.46   -18.37  -17.804 1   26.118  ? 121 LYS   A HD3  1 c 
ATOM   3503 H HE2  . LYS   B 1 109 ? -2.549  -17.849 -15.023 1   28.83   ? 121 LYS   A HE2  1 c 
ATOM   3504 H HE3  . LYS   B 1 109 ? -3.711  -18.501 -15.85  1   28.902  ? 121 LYS   A HE3  1 c 
ATOM   3505 H HZ1  . LYS   B 1 109 ? -1.304  -19.704 -15.365 1   29.785  ? 121 LYS   A HZ1  1 c 
ATOM   3506 H HZ2  . LYS   B 1 109 ? -2.344  -20.3   -16.229 1   29.878  ? 121 LYS   A HZ2  1 c 
ATOM   3507 H HZ3  . LYS   B 1 109 ? -2.598  -20.114 -14.786 1   30.063  ? 121 LYS   A HZ3  1 c 
ATOM   3508 N N    . ILE   B 1 110 ? 1.074   -14.249 -17.421 1   18.208  ? 122 ILE   A N    1 ? 
ATOM   3509 C CA   . ILE   B 1 110 ? 1.182   -13.525 -18.678 1   17.332  ? 122 ILE   A CA   1 ? 
ATOM   3510 C C    . ILE   B 1 110 ? 2.077   -12.312 -18.447 1   18.051  ? 122 ILE   A C    1 ? 
ATOM   3511 O O    . ILE   B 1 110 ? 1.755   -11.449 -17.633 1   18.832  ? 122 ILE   A O    1 ? 
ATOM   3512 C CB   . ILE   B 1 110 ? -0.182  -13.046 -19.185 1   18.546  ? 122 ILE   A CB   1 ? 
ATOM   3513 C CG1  . ILE   B 1 110 ? -1.237  -14.094 -19.123 1   24.504  ? 122 ILE   A CG1  1 ? 
ATOM   3514 C CG2  . ILE   B 1 110 ? -0.009  -12.398 -20.548 1   18.106  ? 122 ILE   A CG2  1 ? 
ATOM   3515 C CD1  . ILE   B 1 110 ? -1.249  -15.101 -20.201 1   26.83   ? 122 ILE   A CD1  1 ? 
ATOM   3516 H H    . ILE   B 1 110 ? 0.724   -13.82  -16.694 1   18.23   ? 122 ILE   A H    1 c 
ATOM   3517 H HA   . ILE   B 1 110 ? 1.584   -14.104 -19.351 1   17.604  ? 122 ILE   A HA   1 c 
ATOM   3518 H HB   . ILE   B 1 110 ? -0.47   -12.337 -18.576 1   19.005  ? 122 ILE   A HB   1 c 
ATOM   3519 H HG12 . ILE   B 1 110 ? -1.153  -14.564 -18.269 1   23.256  ? 122 ILE   A HG12 1 c 
ATOM   3520 H HG13 . ILE   B 1 110 ? -2.107  -13.646 -19.119 1   23.556  ? 122 ILE   A HG13 1 c 
ATOM   3521 H HG21 . ILE   B 1 110 ? -0.88   -12.155 -20.905 1   18.094  ? 122 ILE   A HG21 1 c 
ATOM   3522 H HG22 . ILE   B 1 110 ? 0.424   -13.023 -21.154 1   18.224  ? 122 ILE   A HG22 1 c 
ATOM   3523 H HG23 . ILE   B 1 110 ? 0.537   -11.599 -20.465 1   18.216  ? 122 ILE   A HG23 1 c 
ATOM   3524 H HD11 . ILE   B 1 110 ? -1.388  -14.666 -21.063 1   26.353  ? 122 ILE   A HD11 1 c 
ATOM   3525 H HD12 . ILE   B 1 110 ? -1.975  -15.731 -20.037 1   26.236  ? 122 ILE   A HD12 1 c 
ATOM   3526 H HD13 . ILE   B 1 110 ? -0.399  -15.581 -20.214 1   26.144  ? 122 ILE   A HD13 1 c 
ATOM   3527 N N    . PRO   B 1 111 ? 3.198   -12.172 -19.179 1   18.832  ? 123 PRO   A N    1 ? 
ATOM   3528 C CA   . PRO   B 1 111 ? 4.055   -11.014 -19.028 1   21.929  ? 123 PRO   A CA   1 ? 
ATOM   3529 C C    . PRO   B 1 111 ? 3.463   -9.728  -19.574 1   19.248  ? 123 PRO   A C    1 ? 
ATOM   3530 O O    . PRO   B 1 111 ? 2.477   -9.755  -20.316 1   20.413  ? 123 PRO   A O    1 ? 
ATOM   3531 C CB   . PRO   B 1 111 ? 5.312   -11.335 -19.79  1   25.274  ? 123 PRO   A CB   1 ? 
ATOM   3532 C CG   . PRO   B 1 111 ? 4.98    -12.481 -20.634 1   26.852  ? 123 PRO   A CG   1 ? 
ATOM   3533 C CD   . PRO   B 1 111 ? 3.684   -13.114 -20.2   1   21.498  ? 123 PRO   A CD   1 ? 
ATOM   3534 H HA   . PRO   B 1 111 ? 4.273   -10.895 -18.081 1   21.497  ? 123 PRO   A HA   1 c 
ATOM   3535 H HB2  . PRO   B 1 111 ? 5.592   -10.575 -20.336 1   24.665  ? 123 PRO   A HB2  1 c 
ATOM   3536 H HB3  . PRO   B 1 111 ? 6.039   -11.558 -19.177 1   24.836  ? 123 PRO   A HB3  1 c 
ATOM   3537 H HG2  . PRO   B 1 111 ? 4.903   -12.191 -21.563 1   25.637  ? 123 PRO   A HG2  1 c 
ATOM   3538 H HG3  . PRO   B 1 111 ? 5.698   -13.144 -20.587 1   25.328  ? 123 PRO   A HG3  1 c 
ATOM   3539 H HD2  . PRO   B 1 111 ? 3.052   -13.182 -20.941 1   21.636  ? 123 PRO   A HD2  1 c 
ATOM   3540 H HD3  . PRO   B 1 111 ? 3.831   -14     -19.814 1   21.638  ? 123 PRO   A HD3  1 c 
ATOM   3541 N N    . SER   B 1 112 ? 4.118   -8.607  -19.212 1   20.384  ? 124 SER   A N    1 ? 
ATOM   3542 C CA   . SER   B 1 112 ? 3.844   -7.308  -19.805 1   21.854  ? 124 SER   A CA   1 ? 
ATOM   3543 C C    . SER   B 1 112 ? 3.947   -7.403  -21.326 1   19.951  ? 124 SER   A C    1 ? 
ATOM   3544 O O    . SER   B 1 112 ? 4.913   -7.981  -21.857 1   22.617  ? 124 SER   A O    1 ? 
ATOM   3545 C CB   . SER   B 1 112 ? 4.846   -6.252  -19.291 1   27.209  ? 124 SER   A CB   1 ? 
ATOM   3546 O OG   . SER   B 1 112 ? 4.482   -6.057  -17.948 1   34.047  ? 124 SER   A OG   1 ? 
ATOM   3547 H H    . SER   B 1 112 ? 4.766   -8.664  -18.57  1   20.325  ? 124 SER   A H    1 c 
ATOM   3548 H HA   . SER   B 1 112 ? 2.924   -7.033  -19.559 1   22.021  ? 124 SER   A HA   1 c 
ATOM   3549 H HB2  . SER   B 1 112 ? 5.76    -6.588  -19.354 1   27.206  ? 124 SER   A HB2  1 c 
ATOM   3550 H HB3  . SER   B 1 112 ? 4.757   -5.421  -19.795 1   27.093  ? 124 SER   A HB3  1 c 
ATOM   3551 H HG   . SER   B 1 112 ? 4.987   -5.47   -17.614 0   34.38   ? 124 SER   A HG   1 c 
ATOM   3552 N N    . ASN   B 1 113 ? 3.066   -6.675  -22.009 1   21.046  ? 125 ASN   A N    1 ? 
ATOM   3553 C CA   . ASN   B 1 113 ? 3.194   -6.439  -23.44  1   20.578  ? 125 ASN   A CA   1 ? 
ATOM   3554 C C    . ASN   B 1 113 ? 3.26    -7.744  -24.238 1   18.461  ? 125 ASN   A C    1 ? 
ATOM   3555 O O    . ASN   B 1 113 ? 3.931   -7.8    -25.258 1   22.029  ? 125 ASN   A O    1 ? 
ATOM   3556 C CB   . ASN   B 1 113 ? 4.376   -5.517  -23.722 1   22.274  ? 125 ASN   A CB   1 ? 
ATOM   3557 C CG   . ASN   B 1 113 ? 4.179   -4.169  -23.053 1   24.319  ? 125 ASN   A CG   1 ? 
ATOM   3558 O OD1  . ASN   B 1 113 ? 5.056   -3.596  -22.365 1   30.131  ? 125 ASN   A OD1  1 ? 
ATOM   3559 N ND2  . ASN   B 1 113 ? 3.01    -3.616  -23.236 1   24.916  ? 125 ASN   A ND2  1 ? 
ATOM   3560 H H    . ASN   B 1 113 ? 2.353   -6.308  -21.568 1   20.56   ? 125 ASN   A H    1 c 
ATOM   3561 H HA   . ASN   B 1 113 ? 2.385   -5.967  -23.731 1   20.761  ? 125 ASN   A HA   1 c 
ATOM   3562 H HB2  . ASN   B 1 113 ? 5.199   -5.927  -23.391 1   22.149  ? 125 ASN   A HB2  1 c 
ATOM   3563 H HB3  . ASN   B 1 113 ? 4.464   -5.387  -24.687 1   22.228  ? 125 ASN   A HB3  1 c 
ATOM   3564 H HD21 . ASN   B 1 113 ? 2.797   -2.887  -22.782 1   24.711  ? 125 ASN   A HD21 1 c 
ATOM   3565 H HD22 . ASN   B 1 113 ? 2.439   -3.942  -23.83  1   24.938  ? 125 ASN   A HD22 1 c 
ATOM   3566 N N    . ALA   B 1 114 ? 2.448   -8.732  -23.88  1   17.654  ? 126 ALA   A N    1 ? 
ATOM   3567 C CA   . ALA   B 1 114 ? 2.431   -10.013 -24.543 1   18.031  ? 126 ALA   A CA   1 ? 
ATOM   3568 C C    . ALA   B 1 114 ? 1.473   -9.961  -25.736 1   17.33   ? 126 ALA   A C    1 ? 
ATOM   3569 O O    . ALA   B 1 114 ? 0.349   -9.472  -25.649 1   17.351  ? 126 ALA   A O    1 ? 
ATOM   3570 C CB   . ALA   B 1 114 ? 2.015   -11.092 -23.591 1   18.799  ? 126 ALA   A CB   1 ? 
ATOM   3571 H H    . ALA   B 1 114 ? 1.87    -8.595  -23.186 1   17.823  ? 126 ALA   A H    1 c 
ATOM   3572 H HA   . ALA   B 1 114 ? 3.349   -10.208 -24.879 1   18.031  ? 126 ALA   A HA   1 c 
ATOM   3573 H HB1  . ALA   B 1 114 ? 2.646   -11.138 -22.853 1   18.514  ? 126 ALA   A HB1  1 c 
ATOM   3574 H HB2  . ALA   B 1 114 ? 1.128   -10.898 -23.244 1   18.642  ? 126 ALA   A HB2  1 c 
ATOM   3575 H HB3  . ALA   B 1 114 ? 1.999   -11.947 -24.053 1   18.646  ? 126 ALA   A HB3  1 c 
ATOM   3576 N N    . THR   B 1 115 ? 1.94    -10.585 -26.823 1   16.894  ? 127 THR   A N    1 ? 
ATOM   3577 C CA   . THR   B 1 115 ? 1.091   -10.946 -27.954 1   17.564  ? 127 THR   A CA   1 ? 
ATOM   3578 C C    . THR   B 1 115 ? 0.564   -12.364 -27.767 1   16.464  ? 127 THR   A C    1 ? 
ATOM   3579 O O    . THR   B 1 115 ? 1.318   -13.267 -27.426 1   19.129  ? 127 THR   A O    1 ? 
ATOM   3580 C CB   . THR   B 1 115 ? 1.864   -10.792 -29.261 1   17.249  ? 127 THR   A CB   1 ? 
ATOM   3581 O OG1  . THR   B 1 115 ? 2.197   -9.419  -29.371 1   21.803  ? 127 THR   A OG1  1 ? 
ATOM   3582 C CG2  . THR   B 1 115 ? 1.114   -11.276 -30.479 1   18.539  ? 127 THR   A CG2  1 ? 
ATOM   3583 H H    . THR   B 1 115 ? 2.828   -10.793 -26.865 1   16.997  ? 127 THR   A H    1 c 
ATOM   3584 H HA   . THR   B 1 115 ? 0.329   -10.329 -27.974 1   17.398  ? 127 THR   A HA   1 c 
ATOM   3585 H HB   . THR   B 1 115 ? 2.699   -11.315 -29.194 1   17.756  ? 127 THR   A HB   1 c 
ATOM   3586 H HG1  . THR   B 1 115 ? 1.476   -8.959  -29.403 0   22.22   ? 127 THR   A HG1  1 c 
ATOM   3587 H HG21 . THR   B 1 115 ? 1.656   -11.127 -31.273 1   18.24   ? 127 THR   A HG21 1 c 
ATOM   3588 H HG22 . THR   B 1 115 ? 0.28    -10.786 -30.563 1   18.352  ? 127 THR   A HG22 1 c 
ATOM   3589 H HG23 . THR   B 1 115 ? 0.926   -12.225 -30.393 1   18.255  ? 127 THR   A HG23 1 c 
ATOM   3590 N N    . LEU   B 1 116 ? -0.735  -12.554 -28.03  1   16.058  ? 128 LEU   A N    1 ? 
ATOM   3591 C CA   . LEU   B 1 116 ? -1.414  -13.828 -27.846 1   16.442  ? 128 LEU   A CA   1 ? 
ATOM   3592 C C    . LEU   B 1 116 ? -1.911  -14.376 -29.187 1   15.75   ? 128 LEU   A C    1 ? 
ATOM   3593 O O    . LEU   B 1 116 ? -2.318  -13.607 -30.054 1   17.323  ? 128 LEU   A O    1 ? 
ATOM   3594 C CB   . LEU   B 1 116 ? -2.577  -13.724 -26.856 1   16.348  ? 128 LEU   A CB   1 ? 
ATOM   3595 C CG   . LEU   B 1 116 ? -2.225  -13.867 -25.374 1   20.459  ? 128 LEU   A CG   1 ? 
ATOM   3596 C CD1  . LEU   B 1 116 ? -1.267  -12.841 -24.876 1   22.352  ? 128 LEU   A CD1  1 ? 
ATOM   3597 C CD2  . LEU   B 1 116 ? -3.459  -13.85  -24.547 1   21.125  ? 128 LEU   A CD2  1 ? 
ATOM   3598 H H    . LEU   B 1 116 ? -1.223  -11.848 -28.345 1   16.05   ? 128 LEU   A H    1 c 
ATOM   3599 H HA   . LEU   B 1 116 ? -0.754  -14.472 -27.484 1   16.374  ? 128 LEU   A HA   1 c 
ATOM   3600 H HB2  . LEU   B 1 116 ? -3.012  -12.85  -26.987 1   16.83   ? 128 LEU   A HB2  1 c 
ATOM   3601 H HB3  . LEU   B 1 116 ? -3.237  -14.418 -27.084 1   16.849  ? 128 LEU   A HB3  1 c 
ATOM   3602 H HG   . LEU   B 1 116 ? -1.798  -14.754 -25.251 1   19.981  ? 128 LEU   A HG   1 c 
ATOM   3603 H HD11 . LEU   B 1 116 ? -0.413  -12.949 -25.324 1   21.727  ? 128 LEU   A HD11 1 c 
ATOM   3604 H HD12 . LEU   B 1 116 ? -1.144  -12.948 -23.918 1   22.03   ? 128 LEU   A HD12 1 c 
ATOM   3605 H HD13 . LEU   B 1 116 ? -1.618  -11.953 -25.06  1   21.984  ? 128 LEU   A HD13 1 c 
ATOM   3606 H HD21 . LEU   B 1 116 ? -4.043  -14.577 -24.819 1   20.863  ? 128 LEU   A HD21 1 c 
ATOM   3607 H HD22 . LEU   B 1 116 ? -3.92   -13.003 -24.668 1   21.145  ? 128 LEU   A HD22 1 c 
ATOM   3608 H HD23 . LEU   B 1 116 ? -3.224  -13.959 -23.61  1   20.87   ? 128 LEU   A HD23 1 c 
ATOM   3609 N N    . PHE   B 1 117 ? -1.93   -15.712 -29.266 1   17.665  ? 129 PHE   A N    1 ? 
ATOM   3610 C CA   . PHE   B 1 117 ? -2.484  -16.416 -30.396 1   17.852  ? 129 PHE   A CA   1 ? 
ATOM   3611 C C    . PHE   B 1 117 ? -3.546  -17.396 -29.911 1   18.213  ? 129 PHE   A C    1 ? 
ATOM   3612 O O    . PHE   B 1 117 ? -3.337  -18.101 -28.917 1   19.892  ? 129 PHE   A O    1 ? 
ATOM   3613 C CB   . PHE   B 1 117 ? -1.378  -17.156 -31.147 1   18.077  ? 129 PHE   A CB   1 ? 
ATOM   3614 C CG   . PHE   B 1 117 ? -1.927  -18.017 -32.259 1   18.579  ? 129 PHE   A CG   1 ? 
ATOM   3615 C CD1  . PHE   B 1 117 ? -2.128  -17.497 -33.521 1   19.77   ? 129 PHE   A CD1  1 ? 
ATOM   3616 C CD2  . PHE   B 1 117 ? -2.27   -19.338 -32.033 1   20.438  ? 129 PHE   A CD2  1 ? 
ATOM   3617 C CE1  . PHE   B 1 117 ? -2.602  -18.311 -34.563 1   20.964  ? 129 PHE   A CE1  1 ? 
ATOM   3618 C CE2  . PHE   B 1 117 ? -2.796  -20.122 -33.045 1   21.124  ? 129 PHE   A CE2  1 ? 
ATOM   3619 C CZ   . PHE   B 1 117 ? -2.957  -19.594 -34.309 1   21.977  ? 129 PHE   A CZ   1 ? 
ATOM   3620 H H    . PHE   B 1 117 ? -1.58   -16.202 -28.579 1   17.19   ? 129 PHE   A H    1 c 
ATOM   3621 H HA   . PHE   B 1 117 ? -2.904  -15.761 -31.01  1   17.674  ? 129 PHE   A HA   1 c 
ATOM   3622 H HB2  . PHE   B 1 117 ? -0.755  -16.496 -31.525 1   18.07   ? 129 PHE   A HB2  1 c 
ATOM   3623 H HB3  . PHE   B 1 117 ? -0.886  -17.722 -30.511 1   18.25   ? 129 PHE   A HB3  1 c 
ATOM   3624 H HD1  . PHE   B 1 117 ? -1.878  -16.605 -33.701 1   19.526  ? 129 PHE   A HD1  1 c 
ATOM   3625 H HD2  . PHE   B 1 117 ? -2.166  -19.703 -31.169 1   20.296  ? 129 PHE   A HD2  1 c 
ATOM   3626 H HE1  . PHE   B 1 117 ? -2.735  -17.945 -35.423 1   20.849  ? 129 PHE   A HE1  1 c 
ATOM   3627 H HE2  . PHE   B 1 117 ? -3.018  -21.021 -32.876 1   21.064  ? 129 PHE   A HE2  1 c 
ATOM   3628 H HZ   . PHE   B 1 117 ? -3.299  -20.133 -35.004 1   21.144  ? 129 PHE   A HZ   1 c 
ATOM   3629 N N    . PHE   B 1 118 ? -4.703  -17.425 -30.573 1   18.53   ? 130 PHE   A N    1 ? 
ATOM   3630 C CA   . PHE   B 1 118 ? -5.72   -18.416 -30.296 1   18      ? 130 PHE   A CA   1 ? 
ATOM   3631 C C    . PHE   B 1 118 ? -6.223  -19.084 -31.585 1   18.174  ? 130 PHE   A C    1 ? 
ATOM   3632 O O    . PHE   B 1 118 ? -6.372  -18.444 -32.634 1   20.274  ? 130 PHE   A O    1 ? 
ATOM   3633 C CB   . PHE   B 1 118 ? -6.956  -17.806 -29.643 1   17.67   ? 130 PHE   A CB   1 ? 
ATOM   3634 C CG   . PHE   B 1 118 ? -6.704  -17.303 -28.246 1   16.196  ? 130 PHE   A CG   1 ? 
ATOM   3635 C CD1  . PHE   B 1 118 ? -6.244  -16.011 -28.047 1   16.926  ? 130 PHE   A CD1  1 ? 
ATOM   3636 C CD2  . PHE   B 1 118 ? -6.967  -18.102 -27.118 1   16.933  ? 130 PHE   A CD2  1 ? 
ATOM   3637 C CE1  . PHE   B 1 118 ? -6.104  -15.514 -26.753 1   16.428  ? 130 PHE   A CE1  1 ? 
ATOM   3638 C CE2  . PHE   B 1 118 ? -6.804  -17.595 -25.832 1   16.786  ? 130 PHE   A CE2  1 ? 
ATOM   3639 C CZ   . PHE   B 1 118 ? -6.381  -16.316 -25.655 1   17.6    ? 130 PHE   A CZ   1 ? 
ATOM   3640 H H    . PHE   B 1 118 ? -4.862  -16.803 -31.223 1   18.493  ? 130 PHE   A H    1 c 
ATOM   3641 H HA   . PHE   B 1 118 ? -5.343  -19.108 -29.695 1   18.01   ? 130 PHE   A HA   1 c 
ATOM   3642 H HB2  . PHE   B 1 118 ? -7.269  -17.059 -30.2   1   17.33   ? 130 PHE   A HB2  1 c 
ATOM   3643 H HB3  . PHE   B 1 118 ? -7.666  -18.485 -29.614 1   17.425  ? 130 PHE   A HB3  1 c 
ATOM   3644 H HD1  . PHE   B 1 118 ? -6.09   -15.449 -28.789 1   16.677  ? 130 PHE   A HD1  1 c 
ATOM   3645 H HD2  . PHE   B 1 118 ? -7.294  -18.98  -27.236 1   16.749  ? 130 PHE   A HD2  1 c 
ATOM   3646 H HE1  . PHE   B 1 118 ? -5.787  -14.635 -26.623 1   16.749  ? 130 PHE   A HE1  1 c 
ATOM   3647 H HE2  . PHE   B 1 118 ? -6.982  -18.142 -25.084 1   16.76   ? 130 PHE   A HE2  1 c 
ATOM   3648 H HZ   . PHE   B 1 118 ? -6.235  -15.986 -24.783 1   17.17   ? 130 PHE   A HZ   1 c 
ATOM   3649 N N    . GLU   B 1 119 ? -6.585  -20.339 -31.447 1   19.142  ? 131 GLU   A N    1 ? 
ATOM   3650 C CA   . GLU   B 1 119 ? -7.427  -21.057 -32.379 1   18.652  ? 131 GLU   A CA   1 ? 
ATOM   3651 C C    . GLU   B 1 119 ? -8.753  -21.32  -31.669 1   20.587  ? 131 GLU   A C    1 ? 
ATOM   3652 O O    . GLU   B 1 119 ? -8.77   -21.88  -30.566 1   22.228  ? 131 GLU   A O    1 ? 
ATOM   3653 C CB   . GLU   B 1 119 ? -6.769  -22.39  -32.73  1   19.298  ? 131 GLU   A CB   1 ? 
ATOM   3654 C CG   . GLU   B 1 119 ? -7.57   -23.244 -33.714 1   19.629  ? 131 GLU   A CG   1 ? 
ATOM   3655 C CD   . GLU   B 1 119 ? -6.771  -24.463 -34.134 1   19.183  ? 131 GLU   A CD   1 ? 
ATOM   3656 O OE1  . GLU   B 1 119 ? -5.876  -24.361 -35.005 1   19.934  ? 131 GLU   A OE1  1 ? 
ATOM   3657 O OE2  . GLU   B 1 119 ? -6.974  -25.494 -33.495 1   23.008  ? 131 GLU   A OE2  1 ? 
ATOM   3658 H H    . GLU   B 1 119 ? -6.284  -20.793 -30.713 1   19.006  ? 131 GLU   A H    1 c 
ATOM   3659 H HA   . GLU   B 1 119 ? -7.573  -20.507 -33.187 1   19.05   ? 131 GLU   A HA   1 c 
ATOM   3660 H HB2  . GLU   B 1 119 ? -5.886  -22.211 -33.115 1   19.248  ? 131 GLU   A HB2  1 c 
ATOM   3661 H HB3  . GLU   B 1 119 ? -6.635  -22.901 -31.905 1   19.121  ? 131 GLU   A HB3  1 c 
ATOM   3662 H HG2  . GLU   B 1 119 ? -8.406  -23.538 -33.294 1   19.581  ? 131 GLU   A HG2  1 c 
ATOM   3663 H HG3  . GLU   B 1 119 ? -7.79   -22.714 -34.51  1   19.553  ? 131 GLU   A HG3  1 c 
ATOM   3664 N N    . ILE   B 1 120 ? -9.864  -20.884 -32.266 1   20.328  ? 132 ILE   A N    1 ? 
ATOM   3665 C CA   . ILE   B 1 120 ? -11.176 -20.909 -31.638 1   20.379  ? 132 ILE   A CA   1 ? 
ATOM   3666 C C    . ILE   B 1 120 ? -12.139 -21.602 -32.598 1   19.535  ? 132 ILE   A C    1 ? 
ATOM   3667 O O    . ILE   B 1 120 ? -12.23  -21.212 -33.766 1   23.315  ? 132 ILE   A O    1 ? 
ATOM   3668 C CB   . ILE   B 1 120 ? -11.71  -19.5   -31.325 1   19.057  ? 132 ILE   A CB   1 ? 
ATOM   3669 C CG1  . ILE   B 1 120 ? -10.729 -18.733 -30.449 1   18.942  ? 132 ILE   A CG1  1 ? 
ATOM   3670 C CG2  . ILE   B 1 120 ? -13.09  -19.583 -30.659 1   19.832  ? 132 ILE   A CG2  1 ? 
ATOM   3671 C CD1  . ILE   B 1 120 ? -11.08  -17.279 -30.217 1   18.081  ? 132 ILE   A CD1  1 ? 
ATOM   3672 H H    . ILE   B 1 120 ? -9.799  -20.551 -33.114 1   20.31   ? 132 ILE   A H    1 c 
ATOM   3673 H HA   . ILE   B 1 120 ? -11.125 -21.42  -30.809 1   20.045  ? 132 ILE   A HA   1 c 
ATOM   3674 H HB   . ILE   B 1 120 ? -11.805 -19.017 -32.169 1   19.34   ? 132 ILE   A HB   1 c 
ATOM   3675 H HG12 . ILE   B 1 120 ? -10.672 -19.181 -29.581 1   18.741  ? 132 ILE   A HG12 1 c 
ATOM   3676 H HG13 . ILE   B 1 120 ? -9.843  -18.774 -30.863 1   18.789  ? 132 ILE   A HG13 1 c 
ATOM   3677 H HG21 . ILE   B 1 120 ? -13.413 -18.689 -30.46  1   19.662  ? 132 ILE   A HG21 1 c 
ATOM   3678 H HG22 . ILE   B 1 120 ? -13.023 -20.092 -29.833 1   19.733  ? 132 ILE   A HG22 1 c 
ATOM   3679 H HG23 . ILE   B 1 120 ? -13.717 -20.022 -31.257 1   19.602  ? 132 ILE   A HG23 1 c 
ATOM   3680 H HD11 . ILE   B 1 120 ? -11.166 -16.824 -31.076 1   18.273  ? 132 ILE   A HD11 1 c 
ATOM   3681 H HD12 . ILE   B 1 120 ? -10.372 -16.855 -29.697 1   18.264  ? 132 ILE   A HD12 1 c 
ATOM   3682 H HD13 . ILE   B 1 120 ? -11.922 -17.212 -29.73  1   18.252  ? 132 ILE   A HD13 1 c 
ATOM   3683 N N    . GLU   B 1 121 ? -12.898 -22.556 -32.069 1   22.863  ? 133 GLU   A N    1 ? 
ATOM   3684 C CA   . GLU   B 1 121 ? -14.02  -23.159 -32.776 1   24.113  ? 133 GLU   A CA   1 ? 
ATOM   3685 C C    . GLU   B 1 121 ? -15.294 -22.706 -32.07  1   24.469  ? 133 GLU   A C    1 ? 
ATOM   3686 O O    . GLU   B 1 121 ? -15.474 -22.966 -30.886 1   24.6    ? 133 GLU   A O    1 ? 
ATOM   3687 C CB   . GLU   B 1 121 ? -13.923 -24.679 -32.799 1   26.445  ? 133 GLU   A CB   1 ? 
ATOM   3688 C CG   . GLU   B 1 121 ? -15.097 -25.362 -33.506 1   28.41   ? 133 GLU   A CG   1 ? 
ATOM   3689 C CD   . GLU   B 1 121 ? -15.093 -26.881 -33.391 1   30.604  ? 133 GLU   A CD   1 ? 
ATOM   3690 O OE1  . GLU   B 1 121 ? -14.193 -27.425 -32.704 1   34.16   ? 133 GLU   A OE1  1 ? 
ATOM   3691 O OE2  . GLU   B 1 121 ? -16.029 -27.524 -33.943 1   37.743  ? 133 GLU   A OE2  1 ? 
ATOM   3692 H H    . GLU   B 1 121 ? -12.709 -22.851 -31.224 1   22.523  ? 133 GLU   A H    1 c 
ATOM   3693 H HA   . GLU   B 1 121 ? -14.026 -22.824 -33.706 1   24.285  ? 133 GLU   A HA   1 c 
ATOM   3694 H HB2  . GLU   B 1 121 ? -13.088 -24.935 -33.244 1   26.485  ? 133 GLU   A HB2  1 c 
ATOM   3695 H HB3  . GLU   B 1 121 ? -13.879 -25.002 -31.875 1   26.277  ? 133 GLU   A HB3  1 c 
ATOM   3696 H HG2  . GLU   B 1 121 ? -15.938 -25.026 -33.13  1   28.348  ? 133 GLU   A HG2  1 c 
ATOM   3697 H HG3  . GLU   B 1 121 ? -15.081 -25.121 -34.457 1   28.452  ? 133 GLU   A HG3  1 c 
ATOM   3698 N N    . LEU   B 1 122 ? -16.153 -22.002 -32.81  1   24.322  ? 134 LEU   A N    1 ? 
ATOM   3699 C CA   . LEU   B 1 122 ? -17.44  -21.585 -32.274 1   24.843  ? 134 LEU   A CA   1 ? 
ATOM   3700 C C    . LEU   B 1 122 ? -18.399 -22.757 -32.421 1   26.445  ? 134 LEU   A C    1 ? 
ATOM   3701 O O    . LEU   B 1 122 ? -18.836 -23.078 -33.527 1   28.479  ? 134 LEU   A O    1 ? 
ATOM   3702 C CB   . LEU   B 1 122 ? -17.984 -20.318 -32.942 1   25.228  ? 134 LEU   A CB   1 ? 
ATOM   3703 C CG   . LEU   B 1 122 ? -19.333 -19.805 -32.425 1   25.766  ? 134 LEU   A CG   1 ? 
ATOM   3704 C CD1  . LEU   B 1 122 ? -19.335 -19.617 -30.943 1   24.82   ? 134 LEU   A CD1  1 ? 
ATOM   3705 C CD2  . LEU   B 1 122 ? -19.681 -18.504 -33.156 1   25.542  ? 134 LEU   A CD2  1 ? 
ATOM   3706 H H    . LEU   B 1 122 ? -15.936 -21.774 -33.668 1   24.478  ? 134 LEU   A H    1 c 
ATOM   3707 H HA   . LEU   B 1 122 ? -17.318 -21.404 -31.309 1   25.238  ? 134 LEU   A HA   1 c 
ATOM   3708 H HB2  . LEU   B 1 122 ? -17.317 -19.602 -32.83  1   25.213  ? 134 LEU   A HB2  1 c 
ATOM   3709 H HB3  . LEU   B 1 122 ? -18.069 -20.494 -33.908 1   25.302  ? 134 LEU   A HB3  1 c 
ATOM   3710 H HG   . LEU   B 1 122 ? -20.027 -20.477 -32.65  1   25.749  ? 134 LEU   A HG   1 c 
ATOM   3711 H HD11 . LEU   B 1 122 ? -19.188 -20.471 -30.504 1   25.179  ? 134 LEU   A HD11 1 c 
ATOM   3712 H HD12 . LEU   B 1 122 ? -20.195 -19.259 -30.667 1   24.994  ? 134 LEU   A HD12 1 c 
ATOM   3713 H HD13 . LEU   B 1 122 ? -18.63  -18.997 -30.691 1   24.805  ? 134 LEU   A HD13 1 c 
ATOM   3714 H HD21 . LEU   B 1 122 ? -19.715 -18.667 -34.112 1   25.693  ? 134 LEU   A HD21 1 c 
ATOM   3715 H HD22 . LEU   B 1 122 ? -19.004 -17.833 -32.966 1   25.581  ? 134 LEU   A HD22 1 c 
ATOM   3716 H HD23 . LEU   B 1 122 ? -20.547 -18.182 -32.853 1   25.614  ? 134 LEU   A HD23 1 c 
ATOM   3717 N N    . LEU   B 1 123 ? -18.752 -23.379 -31.294 1   26.771  ? 135 LEU   A N    1 ? 
ATOM   3718 C CA   . LEU   B 1 123 ? -19.607 -24.563 -31.319 1   29.905  ? 135 LEU   A CA   1 ? 
ATOM   3719 C C    . LEU   B 1 123 ? -21.085 -24.188 -31.396 1   29.664  ? 135 LEU   A C    1 ? 
ATOM   3720 O O    . LEU   B 1 123 ? -21.833 -24.838 -32.118 1   33.151  ? 135 LEU   A O    1 ? 
ATOM   3721 C CB   . LEU   B 1 123 ? -19.323 -25.366 -30.058 1   29.387  ? 135 LEU   A CB   1 ? 
ATOM   3722 C CG   . LEU   B 1 123 ? -17.864 -25.813 -29.899 1   31.168  ? 135 LEU   A CG   1 ? 
ATOM   3723 C CD1  . LEU   B 1 123 ? -17.676 -26.284 -28.505 1   33.451  ? 135 LEU   A CD1  1 ? 
ATOM   3724 C CD2  . LEU   B 1 123 ? -17.503 -26.889 -30.917 1   30.599  ? 135 LEU   A CD2  1 ? 
ATOM   3725 H H    . LEU   B 1 123 ? -18.463 -23.059 -30.489 1   26.982  ? 135 LEU   A H    1 c 
ATOM   3726 H HA   . LEU   B 1 123 ? -19.373 -25.107 -32.113 1   29.19   ? 135 LEU   A HA   1 c 
ATOM   3727 H HB2  . LEU   B 1 123 ? -19.572 -24.818 -29.279 1   29.914  ? 135 LEU   A HB2  1 c 
ATOM   3728 H HB3  . LEU   B 1 123 ? -19.896 -26.167 -30.066 1   29.739  ? 135 LEU   A HB3  1 c 
ATOM   3729 H HG   . LEU   B 1 123 ? -17.275 -25.029 -30.047 1   30.999  ? 135 LEU   A HG   1 c 
ATOM   3730 H HD11 . LEU   B 1 123 ? -17.876 -25.561 -27.887 1   33.092  ? 135 LEU   A HD11 1 c 
ATOM   3731 H HD12 . LEU   B 1 123 ? -16.755 -26.569 -28.381 1   33.015  ? 135 LEU   A HD12 1 c 
ATOM   3732 H HD13 . LEU   B 1 123 ? -18.271 -27.032 -28.331 1   33.066  ? 135 LEU   A HD13 1 c 
ATOM   3733 H HD21 . LEU   B 1 123 ? -17.568 -26.523 -31.815 1   30.657  ? 135 LEU   A HD21 1 c 
ATOM   3734 H HD22 . LEU   B 1 123 ? -18.115 -27.638 -30.828 1   30.829  ? 135 LEU   A HD22 1 c 
ATOM   3735 H HD23 . LEU   B 1 123 ? -16.593 -27.194 -30.759 1   30.9    ? 135 LEU   A HD23 1 c 
ATOM   3736 N N    . ASP   B 1 124 ? -21.49  -23.177 -30.624 1   29.725  ? 136 ASP   A N    1 ? 
ATOM   3737 C CA   . ASP   B 1 124 ? -22.885 -22.786 -30.572 1   30.709  ? 136 ASP   A CA   1 ? 
ATOM   3738 C C    . ASP   B 1 124 ? -22.98  -21.42  -29.895 1   28.542  ? 136 ASP   A C    1 ? 
ATOM   3739 O O    . ASP   B 1 124 ? -22.046 -20.991 -29.216 1   28.813  ? 136 ASP   A O    1 ? 
ATOM   3740 C CB   . ASP   B 1 124 ? -23.683 -23.84  -29.814 1   31.299  ? 136 ASP   A CB   1 ? 
ATOM   3741 C CG   . ASP   B 1 124 ? -25.193 -23.852 -30.054 1   34.933  ? 136 ASP   A CG   1 ? 
ATOM   3742 O OD1  . ASP   B 1 124 ? -25.704 -23.09  -30.928 1   36.176  ? 136 ASP   A OD1  1 ? 
ATOM   3743 O OD2  . ASP   B 1 124 ? -25.867 -24.625 -29.364 1   39.911  ? 136 ASP   A OD2  1 ? 
ATOM   3744 H H    . ASP   B 1 124 ? -20.882 -22.726 -30.112 1   30.027  ? 136 ASP   A H    1 c 
ATOM   3745 H HA   . ASP   B 1 124 ? -23.226 -22.713 -31.492 1   30.581  ? 136 ASP   A HA   1 c 
ATOM   3746 H HB2  . ASP   B 1 124 ? -23.343 -24.73  -30.042 1   31.717  ? 136 ASP   A HB2  1 c 
ATOM   3747 H HB3  . ASP   B 1 124 ? -23.535 -23.707 -28.855 1   31.836  ? 136 ASP   A HB3  1 c 
ATOM   3748 N N    . PHE   B 1 125 ? -24.14  -20.785 -30.027 1   27.577  ? 137 PHE   A N    1 ? 
ATOM   3749 C CA   . PHE   B 1 125 ? -24.481 -19.631 -29.214 1   27.602  ? 137 PHE   A CA   1 ? 
ATOM   3750 C C    . PHE   B 1 125 ? -26     -19.574 -29.108 1   29.352  ? 137 PHE   A C    1 ? 
ATOM   3751 O O    . PHE   B 1 125 ? -26.729 -19.963 -30.025 1   31.694  ? 137 PHE   A O    1 ? 
ATOM   3752 C CB   . PHE   B 1 125 ? -23.922 -18.325 -29.784 1   26.093  ? 137 PHE   A CB   1 ? 
ATOM   3753 C CG   . PHE   B 1 125 ? -24.302 -17.98  -31.213 1   25.423  ? 137 PHE   A CG   1 ? 
ATOM   3754 C CD1  . PHE   B 1 125 ? -23.547 -18.456 -32.258 1   27.409  ? 137 PHE   A CD1  1 ? 
ATOM   3755 C CD2  . PHE   B 1 125 ? -25.39  -17.16  -31.491 1   25.908  ? 137 PHE   A CD2  1 ? 
ATOM   3756 C CE1  . PHE   B 1 125 ? -23.849 -18.106 -33.558 1   30.964  ? 137 PHE   A CE1  1 ? 
ATOM   3757 C CE2  . PHE   B 1 125 ? -25.679 -16.809 -32.804 1   26.644  ? 137 PHE   A CE2  1 ? 
ATOM   3758 C CZ   . PHE   B 1 125 ? -24.918 -17.297 -33.827 1   30.275  ? 137 PHE   A CZ   1 ? 
ATOM   3759 H H    . PHE   B 1 125 ? -24.739 -21.076 -30.652 1   27.731  ? 137 PHE   A H    1 c 
ATOM   3760 H HA   . PHE   B 1 125 ? -24.105 -19.767 -28.307 1   27.834  ? 137 PHE   A HA   1 c 
ATOM   3761 H HB2  . PHE   B 1 125 ? -24.214 -17.59  -29.201 1   26.316  ? 137 PHE   A HB2  1 c 
ATOM   3762 H HB3  . PHE   B 1 125 ? -22.941 -18.364 -29.726 1   26.058  ? 137 PHE   A HB3  1 c 
ATOM   3763 H HD1  . PHE   B 1 125 ? -22.799 -19.005 -32.082 1   27.25   ? 137 PHE   A HD1  1 c 
ATOM   3764 H HD2  . PHE   B 1 125 ? -25.908 -16.812 -30.783 1   25.778  ? 137 PHE   A HD2  1 c 
ATOM   3765 H HE1  . PHE   B 1 125 ? -23.327 -18.446 -34.267 1   29.746  ? 137 PHE   A HE1  1 c 
ATOM   3766 H HE2  . PHE   B 1 125 ? -26.424 -16.259 -32.99  1   27.093  ? 137 PHE   A HE2  1 c 
ATOM   3767 H HZ   . PHE   B 1 125 ? -25.132 -17.078 -34.72  1   29.712  ? 137 PHE   A HZ   1 c 
ATOM   3768 N N    . LYS   B 1 126 ? -26.475 -19.062 -27.974 1   29.547  ? 138 LYS   A N    1 ? 
ATOM   3769 C CA   . LYS   B 1 126 ? -27.886 -19.074 -27.625 1   31.636  ? 138 LYS   A CA   1 ? 
ATOM   3770 C C    . LYS   B 1 126 ? -28.191 -17.713 -27.006 1   31.417  ? 138 LYS   A C    1 ? 
ATOM   3771 O O    . LYS   B 1 126 ? -27.338 -17.131 -26.344 1   32.428  ? 138 LYS   A O    1 ? 
ATOM   3772 C CB   . LYS   B 1 126 ? -28.219 -20.171 -26.609 1   32.586  ? 138 LYS   A CB   1 ? 
ATOM   3773 H H    . LYS   B 1 126 ? -25.887 -18.683 -27.386 1   29.841  ? 138 LYS   A H    1 c 
ATOM   3774 H HA   . LYS   B 1 126 ? -28.426 -19.191 -28.447 1   31.007  ? 138 LYS   A HA   1 c 
ATOM   3775 H HB2  . LYS   B 1 126 ? -27.365 -20.557 -26.287 0   31.95   ? 138 LYS   A HB2  1 c 
ATOM   3776 H HB3  . LYS   B 1 126 ? -29.182 -20.266 -26.551 0   31.95   ? 138 LYS   A HB3  1 c 
ATOM   3777 N N    . GLY   B 1 127 ? -29.411 -17.213 -27.222 1   36.676  ? 139 GLY   A N    1 ? 
ATOM   3778 C CA   . GLY   B 1 127 ? -29.837 -15.988 -26.577 1   38.544  ? 139 GLY   A CA   1 ? 
ATOM   3779 C C    . GLY   B 1 127 ? -29.867 -16.137 -25.059 1   39.365  ? 139 GLY   A C    1 ? 
ATOM   3780 O O    . GLY   B 1 127 ? -30.017 -17.243 -24.52  1   44.755  ? 139 GLY   A O    1 ? 
ATOM   3781 H H    . GLY   B 1 127 ? -29.99  -17.646 -27.782 1   35.235  ? 139 GLY   A H    1 c 
ATOM   3782 H HA2  . GLY   B 1 127 ? -29.221 -15.262 -26.828 1   38.09   ? 139 GLY   A HA2  1 c 
ATOM   3783 H HA3  . GLY   B 1 127 ? -30.734 -15.752 -26.903 1   38.614  ? 139 GLY   A HA3  1 c 
ATOM   3784 N N    . GLU   B 1 128 ? -29.722 -15     -24.385 1   40.381  ? 140 GLU   A N    1 ? 
ATOM   3785 C CA   . GLU   B 1 128 ? -29.693 -14.932 -22.938 1   46.942  ? 140 GLU   A CA   1 ? 
ATOM   3786 C C    . GLU   B 1 128 ? -31.086 -15.256 -22.363 1   52.235  ? 140 GLU   A C    1 ? 
ATOM   3787 O O    . GLU   B 1 128 ? -31.176 -15.343 -21.126 1   62.789  ? 140 GLU   A O    1 ? 
ATOM   3788 C CB   . GLU   B 1 128 ? -29.202 -13.546 -22.508 1   49.992  ? 140 GLU   A CB   1 ? 
ATOM   3789 O OXT  . GLU   B 1 128 ? -32.04  -15.395 -23.154 1   52.916  ? 140 GLU   A OXT  1 ? 
ATOM   3790 H H    . GLU   B 1 128 ? -29.643 -14.222 -24.857 1   41.554  ? 140 GLU   A H    1 c 
ATOM   3791 H HA   . GLU   B 1 128 ? -29.05  -15.61  -22.609 1   46.59   ? 140 GLU   A HA   1 c 
ATOM   3792 H HB2  . GLU   B 1 128 ? -28.135 -13.517 -22.626 0   50.42   ? 140 GLU   A HB2  1 c 
ATOM   3793 H HB3  . GLU   B 1 128 ? -29.879 -12.9   -22.468 0   50.42   ? 140 GLU   A HB3  1 c 
HETATM 3794 C C4   . A1INQ C 2 .   ? -15.39  2.754   -14.355 1   19.444  ? 201 A1INQ B C4   1 ? 
HETATM 3795 C C14  . A1INQ C 2 .   ? -21.084 3.344   -17.276 1   23.323  ? 201 A1INQ B C14  1 ? 
HETATM 3796 C C5   . A1INQ C 2 .   ? -16.045 3.859   -14.864 1   20.413  ? 201 A1INQ B C5   1 ? 
HETATM 3797 C C6   . A1INQ C 2 .   ? -16.481 3.885   -16.186 1   20.92   ? 201 A1INQ B C6   1 ? 
HETATM 3798 C C11  . A1INQ C 2 .   ? -18.416 6.854   -16.984 1   24.479  ? 201 A1INQ B C11  1 ? 
HETATM 3799 C C7   . A1INQ C 2 .   ? -16.317 2.769   -16.992 1   21.183  ? 201 A1INQ B C7   1 ? 
HETATM 3800 C C8   . A1INQ C 2 .   ? -15.933 3.255   -19.317 1   25.472  ? 201 A1INQ B C8   1 ? 
HETATM 3801 C C9   . A1INQ C 2 .   ? -17.807 5.937   -15.949 1   23.418  ? 201 A1INQ B C9   1 ? 
HETATM 3802 C C10  . A1INQ C 2 .   ? -18.83  5.427   -14.951 1   25.497  ? 201 A1INQ B C10  1 ? 
HETATM 3803 C C12  . A1INQ C 2 .   ? -19.104 6.195   -18.206 1   25.87   ? 201 A1INQ B C12  1 ? 
HETATM 3804 C C13  . A1INQ C 2 .   ? -19.938 3.841   -17.836 1   22.536  ? 201 A1INQ B C13  1 ? 
HETATM 3805 N N1   . A1INQ C 2 .   ? -20.075 5.182   -17.827 1   24.229  ? 201 A1INQ B N1   1 ? 
HETATM 3806 N N2   . A1INQ C 2 .   ? -21.871 4.411   -16.951 1   24.789  ? 201 A1INQ B N2   1 ? 
HETATM 3807 C C3   . A1INQ C 2 .   ? -15.163 1.67    -15.194 1   19.204  ? 201 A1INQ B C3   1 ? 
HETATM 3808 N N3   . A1INQ C 2 .   ? -21.224 5.521   -17.219 1   25.676  ? 201 A1INQ B N3   1 ? 
HETATM 3809 C C1   . A1INQ C 2 .   ? -14.662 -0.441  -16.937 1   23.101  ? 201 A1INQ B C1   1 ? 
HETATM 3810 O O1   . A1INQ C 2 .   ? -15.452 0.638   -17.381 1   22.402  ? 201 A1INQ B O1   1 ? 
HETATM 3811 C C2   . A1INQ C 2 .   ? -15.618 1.683   -16.497 1   20.715  ? 201 A1INQ B C2   1 ? 
HETATM 3812 O O2   . A1INQ C 2 .   ? -16.775 2.719   -18.298 1   23.385  ? 201 A1INQ B O2   1 ? 
HETATM 3813 O O3   . A1INQ C 2 .   ? -17.177 4.927   -16.761 1   22.748  ? 201 A1INQ B O3   1 ? 
HETATM 3814 C C15  . A1INQ C 2 .   ? -21.54  1.929   -17.081 1   24.563  ? 201 A1INQ B C15  1 ? 
HETATM 3815 C C16  . A1INQ C 2 .   ? -20.528 0.825   -16.719 1   27.969  ? 201 A1INQ B C16  1 ? 
HETATM 3816 C C17  . A1INQ C 2 .   ? -19.893 1.116   -15.384 1   26.847  ? 201 A1INQ B C17  1 ? 
HETATM 3817 C C18  . A1INQ C 2 .   ? -18.847 0.083   -15     1   19.945  ? 201 A1INQ B C18  1 ? 
HETATM 3818 O O4   . A1INQ C 2 .   ? -18.261 0.608   -13.79  1   18.451  ? 201 A1INQ B O4   1 ? 
HETATM 3819 C C19  . A1INQ C 2 .   ? -18.57  0.007   -12.639 1   17.363  ? 201 A1INQ B C19  1 ? 
HETATM 3820 O O5   . A1INQ C 2 .   ? -19.264 -0.966  -12.535 1   17.82   ? 201 A1INQ B O5   1 ? 
HETATM 3821 C C20  . A1INQ C 2 .   ? -17.845 0.633   -11.475 1   17.445  ? 201 A1INQ B C20  1 ? 
HETATM 3822 C C21  . A1INQ C 2 .   ? -18.85  0.927   -10.38  1   17.441  ? 201 A1INQ B C21  1 ? 
HETATM 3823 C C22  . A1INQ C 2 .   ? -19.691 2.138   -10.737 1   18.522  ? 201 A1INQ B C22  1 ? 
HETATM 3824 C C23  . A1INQ C 2 .   ? -18.794 3.34    -10.966 1   19.122  ? 201 A1INQ B C23  1 ? 
HETATM 3825 C C24  . A1INQ C 2 .   ? -17.772 3.068   -12.077 1   19.28   ? 201 A1INQ B C24  1 ? 
HETATM 3826 N N4   . A1INQ C 2 .   ? -17.043 1.797   -11.834 1   17.05   ? 201 A1INQ B N4   1 ? 
HETATM 3827 C C25  . A1INQ C 2 .   ? -15.772 1.574   -12.236 1   17.802  ? 201 A1INQ B C25  1 ? 
HETATM 3828 O O6   . A1INQ C 2 .   ? -15.296 0.422   -12.188 1   16.962  ? 201 A1INQ B O6   1 ? 
HETATM 3829 C C26  . A1INQ C 2 .   ? -14.966 2.702   -12.886 1   17.757  ? 201 A1INQ B C26  1 ? 
HETATM 3830 C C27  . A1INQ C 2 .   ? -13.452 2.507   -12.638 1   19.103  ? 201 A1INQ B C27  1 ? 
HETATM 3831 C C28  . A1INQ C 2 .   ? -13.105 2.635   -11.146 1   19.577  ? 201 A1INQ B C28  1 ? 
HETATM 3832 C C29  . A1INQ C 2 .   ? -11.575 2.514   -10.919 1   22.024  ? 201 A1INQ B C29  1 ? 
HETATM 3833 C C30  . A1INQ C 2 .   ? -10.801 3.498   -11.763 1   22.16   ? 201 A1INQ B C30  1 ? 
HETATM 3834 C C31  . A1INQ C 2 .   ? -11.138 3.393   -13.217 1   21.943  ? 201 A1INQ B C31  1 ? 
HETATM 3835 C C32  . A1INQ C 2 .   ? -12.633 3.503   -13.459 1   20.475  ? 201 A1INQ B C32  1 ? 
HETATM 3836 H H5   . A1INQ C 2 .   ? -16.21  4.597   -14.299 1   20.501  ? 201 A1INQ B H5   1 c 
HETATM 3837 H H14  . A1INQ C 2 .   ? -19.072 7.426   -16.534 1   24.606  ? 201 A1INQ B H14  1 c 
HETATM 3838 H H13  . A1INQ C 2 .   ? -17.708 7.448   -17.314 1   24.529  ? 201 A1INQ B H13  1 c 
HETATM 3839 H H7   . A1INQ C 2 .   ? -16.367 3.157   -20.179 1   24.997  ? 201 A1INQ B H7   1 c 
HETATM 3840 H H8   . A1INQ C 2 .   ? -15.089 2.776   -19.322 1   25.07   ? 201 A1INQ B H8   1 c 
HETATM 3841 H H6   . A1INQ C 2 .   ? -15.771 4.196   -19.14  1   24.971  ? 201 A1INQ B H6   1 c 
HETATM 3842 H H9   . A1INQ C 2 .   ? -17.104 6.438   -15.458 1   23.635  ? 201 A1INQ B H9   1 c 
HETATM 3843 H H12  . A1INQ C 2 .   ? -19.493 4.884   -15.404 1   25.033  ? 201 A1INQ B H12  1 c 
HETATM 3844 H H10  . A1INQ C 2 .   ? -19.271 6.181   -14.524 1   25.04   ? 201 A1INQ B H10  1 c 
HETATM 3845 H H11  . A1INQ C 2 .   ? -18.389 4.891   -14.272 1   24.915  ? 201 A1INQ B H11  1 c 
HETATM 3846 H H15  . A1INQ C 2 .   ? -18.422 5.783   -18.776 1   25.357  ? 201 A1INQ B H15  1 c 
HETATM 3847 H H16  . A1INQ C 2 .   ? -19.557 6.887   -18.729 1   25.2    ? 201 A1INQ B H16  1 c 
HETATM 3848 H H17  . A1INQ C 2 .   ? -19.21  3.352   -18.174 1   23.149  ? 201 A1INQ B H17  1 c 
HETATM 3849 H H4   . A1INQ C 2 .   ? -14.737 0.902   -14.848 1   19.632  ? 201 A1INQ B H4   1 c 
HETATM 3850 H H2   . A1INQ C 2 .   ? -14.586 -1.096  -17.649 1   22.861  ? 201 A1INQ B H2   1 c 
HETATM 3851 H H3   . A1INQ C 2 .   ? -15.08  -0.853  -16.165 1   22.829  ? 201 A1INQ B H3   1 c 
HETATM 3852 H H1   . A1INQ C 2 .   ? -13.777 -0.12   -16.698 1   22.93   ? 201 A1INQ B H1   1 c 
HETATM 3853 H H19  . A1INQ C 2 .   ? -22.221 1.94    -16.383 1   24.847  ? 201 A1INQ B H19  1 c 
HETATM 3854 H H18  . A1INQ C 2 .   ? -21.989 1.655   -17.902 1   24.774  ? 201 A1INQ B H18  1 c 
HETATM 3855 H H21  . A1INQ C 2 .   ? -20.995 -0.039  -16.679 1   27.05   ? 201 A1INQ B H21  1 c 
HETATM 3856 H H20  . A1INQ C 2 .   ? -19.833 0.786   -17.411 1   26.948  ? 201 A1INQ B H20  1 c 
HETATM 3857 H H23  . A1INQ C 2 .   ? -19.471 2.002   -15.414 1   25.266  ? 201 A1INQ B H23  1 c 
HETATM 3858 H H22  . A1INQ C 2 .   ? -20.591 1.136   -14.694 1   25.437  ? 201 A1INQ B H22  1 c 
HETATM 3859 H H25  . A1INQ C 2 .   ? -19.264 -0.789  -14.843 1   20.312  ? 201 A1INQ B H25  1 c 
HETATM 3860 H H24  . A1INQ C 2 .   ? -18.171 0.001   -15.703 1   20.464  ? 201 A1INQ B H24  1 c 
HETATM 3861 H H26  . A1INQ C 2 .   ? -17.216 -0.052  -11.124 1   17.508  ? 201 A1INQ B H26  1 c 
HETATM 3862 H H28  . A1INQ C 2 .   ? -19.438 0.144   -10.247 1   17.574  ? 201 A1INQ B H28  1 c 
HETATM 3863 H H27  . A1INQ C 2 .   ? -18.371 1.098   -9.534  1   17.634  ? 201 A1INQ B H27  1 c 
HETATM 3864 H H29  . A1INQ C 2 .   ? -20.322 2.33    -10.006 1   18.429  ? 201 A1INQ B H29  1 c 
HETATM 3865 H H30  . A1INQ C 2 .   ? -20.214 1.954   -11.551 1   18.393  ? 201 A1INQ B H30  1 c 
HETATM 3866 H H31  . A1INQ C 2 .   ? -18.32  3.556   -10.135 1   19.029  ? 201 A1INQ B H31  1 c 
HETATM 3867 H H32  . A1INQ C 2 .   ? -19.343 4.114   -11.212 1   19.09   ? 201 A1INQ B H32  1 c 
HETATM 3868 H H33  . A1INQ C 2 .   ? -17.133 3.815   -12.117 1   18.772  ? 201 A1INQ B H33  1 c 
HETATM 3869 H H34  . A1INQ C 2 .   ? -18.236 3.018   -12.943 1   18.973  ? 201 A1INQ B H34  1 c 
HETATM 3870 H H35  . A1INQ C 2 .   ? -15.243 3.556   -12.467 1   18.291  ? 201 A1INQ B H35  1 c 
HETATM 3871 H H36  . A1INQ C 2 .   ? -13.205 1.592   -12.933 1   19.149  ? 201 A1INQ B H36  1 c 
HETATM 3872 H H38  . A1INQ C 2 .   ? -13.416 3.501   -10.812 1   19.744  ? 201 A1INQ B H38  1 c 
HETATM 3873 H H37  . A1INQ C 2 .   ? -13.564 1.933   -10.641 1   19.804  ? 201 A1INQ B H37  1 c 
HETATM 3874 H H39  . A1INQ C 2 .   ? -11.286 1.601   -11.138 1   21.685  ? 201 A1INQ B H39  1 c 
HETATM 3875 H H40  . A1INQ C 2 .   ? -11.375 2.674   -9.969  1   21.588  ? 201 A1INQ B H40  1 c 
HETATM 3876 H H41  . A1INQ C 2 .   ? -9.839  3.338   -11.643 1   22.016  ? 201 A1INQ B H41  1 c 
HETATM 3877 H H42  . A1INQ C 2 .   ? -10.994 4.41    -11.454 1   22.15   ? 201 A1INQ B H42  1 c 
HETATM 3878 H H43  . A1INQ C 2 .   ? -10.815 2.531   -13.563 1   21.699  ? 201 A1INQ B H43  1 c 
HETATM 3879 H H44  . A1INQ C 2 .   ? -10.676 4.108   -13.709 1   21.693  ? 201 A1INQ B H44  1 c 
HETATM 3880 H H46  . A1INQ C 2 .   ? -12.924 4.411   -13.242 1   20.509  ? 201 A1INQ B H46  1 c 
HETATM 3881 H H45  . A1INQ C 2 .   ? -12.809 3.354   -14.411 1   20.403  ? 201 A1INQ B H45  1 c 
HETATM 3882 C C4   . A1INQ D 2 .   ? -6.017  -17.754 -19.755 1   16.321  ? 201 A1INQ A C4   1 ? 
HETATM 3883 C C14  . A1INQ D 2 .   ? -11.167 -18.671 -17.698 1   34.366  ? 201 A1INQ A C14  1 ? 
HETATM 3884 C C5   . A1INQ D 2 .   ? -6.345  -18.964 -19.175 1   18.959  ? 201 A1INQ A C5   1 ? 
HETATM 3885 C C6   . A1INQ D 2 .   ? -6.554  -19.073 -17.817 1   21.241  ? 201 A1INQ A C6   1 ? 
HETATM 3886 C C11  . A1INQ D 2 .   ? -8.205  -21.746 -18.412 1   40.222  ? 201 A1INQ A C11  1 ? 
HETATM 3887 C C7   . A1INQ D 2 .   ? -6.441  -17.948 -17.016 1   19.471  ? 201 A1INQ A C7   1 ? 
HETATM 3888 C C8   . A1INQ D 2 .   ? -7.795  -17.537 -15.109 1   25.021  ? 201 A1INQ A C8   1 ? 
HETATM 3889 C C9   . A1INQ D 2 .   ? -7.884  -21.151 -17.069 1   38.931  ? 201 A1INQ A C9   1 ? 
HETATM 3890 C C10  . A1INQ D 2 .   ? -7.451  -22.161 -16.041 1   42.446  ? 201 A1INQ A C10  1 ? 
HETATM 3891 C C12  . A1INQ D 2 .   ? -9.715  -21.86  -18.4   1   41.765  ? 201 A1INQ A C12  1 ? 
HETATM 3892 C C13  . A1INQ D 2 .   ? -10.616 -19.525 -18.594 1   38.633  ? 201 A1INQ A C13  1 ? 
HETATM 3893 N N1   . A1INQ D 2 .   ? -10.311 -20.624 -17.903 1   37.797  ? 201 A1INQ A N1   1 ? 
HETATM 3894 N N2   . A1INQ D 2 .   ? -11.095 -19.237 -16.478 1   36.377  ? 201 A1INQ A N2   1 ? 
HETATM 3895 C C3   . A1INQ D 2 .   ? -5.864  -16.641 -18.955 1   16.302  ? 201 A1INQ A C3   1 ? 
HETATM 3896 N N3   . A1INQ D 2 .   ? -10.61  -20.457 -16.602 1   38.146  ? 201 A1INQ A N3   1 ? 
HETATM 3897 C C1   . A1INQ D 2 .   ? -5.423  -14.425 -17.229 1   17.381  ? 201 A1INQ A C1   1 ? 
HETATM 3898 O O1   . A1INQ D 2 .   ? -5.912  -15.682 -16.728 1   18.533  ? 201 A1INQ A O1   1 ? 
HETATM 3899 C C2   . A1INQ D 2 .   ? -6.071  -16.732 -17.588 1   17.506  ? 201 A1INQ A C2   1 ? 
HETATM 3900 O O2   . A1INQ D 2 .   ? -6.587  -18.052 -15.647 1   23.136  ? 201 A1INQ A O2   1 ? 
HETATM 3901 O O3   . A1INQ D 2 .   ? -6.786  -20.256 -17.151 1   31.237  ? 201 A1INQ A O3   1 ? 
HETATM 3902 C C15  . A1INQ D 2 .   ? -11.635 -17.278 -17.868 1   34.308  ? 201 A1INQ A C15  1 ? 
HETATM 3903 C C16  . A1INQ D 2 .   ? -10.326 -16.481 -17.939 1   27.201  ? 201 A1INQ A C16  1 ? 
HETATM 3904 C C17  . A1INQ D 2 .   ? -10.604 -15.126 -18.458 1   23.874  ? 201 A1INQ A C17  1 ? 
HETATM 3905 C C18  . A1INQ D 2 .   ? -9.359  -14.508 -18.978 1   18.427  ? 201 A1INQ A C18  1 ? 
HETATM 3906 O O4   . A1INQ D 2 .   ? -8.878  -15.225 -20.151 1   16.133  ? 201 A1INQ A O4   1 ? 
HETATM 3907 C C19  . A1INQ D 2 .   ? -9.269  -14.734 -21.332 1   15.787  ? 201 A1INQ A C19  1 ? 
HETATM 3908 O O5   . A1INQ D 2 .   ? -9.96   -13.785 -21.473 1   15.49   ? 201 A1INQ A O5   1 ? 
HETATM 3909 C C20  . A1INQ D 2 .   ? -8.658  -15.512 -22.513 1   15.335  ? 201 A1INQ A C20  1 ? 
HETATM 3910 C C21  . A1INQ D 2 .   ? -9.761  -15.876 -23.521 1   16.648  ? 201 A1INQ A C21  1 ? 
HETATM 3911 C C22  . A1INQ D 2 .   ? -10.632 -16.973 -22.993 1   16.468  ? 201 A1INQ A C22  1 ? 
HETATM 3912 C C23  . A1INQ D 2 .   ? -9.792  -18.202 -22.701 1   17.019  ? 201 A1INQ A C23  1 ? 
HETATM 3913 C C24  . A1INQ D 2 .   ? -8.672  -17.892 -21.716 1   16.008  ? 201 A1INQ A C24  1 ? 
HETATM 3914 N N4   . A1INQ D 2 .   ? -7.895  -16.694 -22.088 1   14.756  ? 201 A1INQ A N4   1 ? 
HETATM 3915 C C25  . A1INQ D 2 .   ? -6.574  -16.523 -21.845 1   14.754  ? 201 A1INQ A C25  1 ? 
HETATM 3916 O O6   . A1INQ D 2 .   ? -6.011  -15.447 -21.983 1   15.595  ? 201 A1INQ A O6   1 ? 
HETATM 3917 C C26  . A1INQ D 2 .   ? -5.77   -17.677 -21.255 1   16.189  ? 201 A1INQ A C26  1 ? 
HETATM 3918 C C27  . A1INQ D 2 .   ? -4.272  -17.569 -21.594 1   16.515  ? 201 A1INQ A C27  1 ? 
HETATM 3919 C C28  . A1INQ D 2 .   ? -4.042  -17.74  -23.097 1   17.055  ? 201 A1INQ A C28  1 ? 
HETATM 3920 C C29  . A1INQ D 2 .   ? -2.578  -17.649 -23.463 1   17.746  ? 201 A1INQ A C29  1 ? 
HETATM 3921 C C30  . A1INQ D 2 .   ? -1.756  -18.672 -22.709 1   19.435  ? 201 A1INQ A C30  1 ? 
HETATM 3922 C C31  . A1INQ D 2 .   ? -1.986  -18.539 -21.234 1   19.965  ? 201 A1INQ A C31  1 ? 
HETATM 3923 C C32  . A1INQ D 2 .   ? -3.444  -18.629 -20.873 1   18.641  ? 201 A1INQ A C32  1 ? 
HETATM 3924 H H5   . A1INQ D 2 .   ? -6.415  -19.731 -19.72  1   18.436  ? 201 A1INQ A H5   1 c 
HETATM 3925 H H14  . A1INQ D 2 .   ? -7.911  -21.154 -19.131 1   39.346  ? 201 A1INQ A H14  1 c 
HETATM 3926 H H13  . A1INQ D 2 .   ? -7.793  -22.631 -18.498 1   40.26   ? 201 A1INQ A H13  1 c 
HETATM 3927 H H7   . A1INQ D 2 .   ? -7.798  -17.659 -14.146 1   24.614  ? 201 A1INQ A H7   1 c 
HETATM 3928 H H8   . A1INQ D 2 .   ? -8.549  -18.01  -15.497 1   24.602  ? 201 A1INQ A H8   1 c 
HETATM 3929 H H6   . A1INQ D 2 .   ? -7.866  -16.591 -15.315 1   24.313  ? 201 A1INQ A H6   1 c 
HETATM 3930 H H9   . A1INQ D 2 .   ? -8.666  -20.659 -16.725 1   37.904  ? 201 A1INQ A H9   1 c 
HETATM 3931 H H12  . A1INQ D 2 .   ? -6.641  -22.606 -16.34  1   41.409  ? 201 A1INQ A H12  1 c 
HETATM 3932 H H10  . A1INQ D 2 .   ? -8.154  -22.82  -15.914 1   41.649  ? 201 A1INQ A H10  1 c 
HETATM 3933 H H11  . A1INQ D 2 .   ? -7.277  -21.712 -15.196 1   41.836  ? 201 A1INQ A H11  1 c 
HETATM 3934 H H15  . A1INQ D 2 .   ? -9.985  -22.606 -17.826 1   40.895  ? 201 A1INQ A H15  1 c 
HETATM 3935 H H16  . A1INQ D 2 .   ? -10.038 -22.031 -19.308 1   41.13   ? 201 A1INQ A H16  1 c 
HETATM 3936 H H17  . A1INQ D 2 .   ? -10.511 -19.393 -19.521 1   37.214  ? 201 A1INQ A H17  1 c 
HETATM 3937 H H4   . A1INQ D 2 .   ? -5.646  -15.811 -19.348 1   16.666  ? 201 A1INQ A H4   1 c 
HETATM 3938 H H2   . A1INQ D 2 .   ? -5.33   -13.8   -16.492 1   17.581  ? 201 A1INQ A H2   1 c 
HETATM 3939 H H3   . A1INQ D 2 .   ? -6.051  -14.069 -17.877 1   17.494  ? 201 A1INQ A H3   1 c 
HETATM 3940 H H1   . A1INQ D 2 .   ? -4.559  -14.558 -17.651 1   17.562  ? 201 A1INQ A H1   1 c 
HETATM 3941 H H19  . A1INQ D 2 .   ? -12.148 -17.184 -18.691 1   32.562  ? 201 A1INQ A H19  1 c 
HETATM 3942 H H18  . A1INQ D 2 .   ? -12.174 -16.998 -17.105 1   33.288  ? 201 A1INQ A H18  1 c 
HETATM 3943 H H21  . A1INQ D 2 .   ? -9.94   -16.414 -17.038 1   27.494  ? 201 A1INQ A H21  1 c 
HETATM 3944 H H20  . A1INQ D 2 .   ? -9.695  -16.941 -18.534 1   26.926  ? 201 A1INQ A H20  1 c 
HETATM 3945 H H23  . A1INQ D 2 .   ? -11.267 -15.178 -19.181 1   22.923  ? 201 A1INQ A H23  1 c 
HETATM 3946 H H22  . A1INQ D 2 .   ? -10.972 -14.567 -17.74  1   23.004  ? 201 A1INQ A H22  1 c 
HETATM 3947 H H25  . A1INQ D 2 .   ? -9.527  -13.57  -19.203 1   18.457  ? 201 A1INQ A H25  1 c 
HETATM 3948 H H24  . A1INQ D 2 .   ? -8.672  -14.526 -18.281 1   18.822  ? 201 A1INQ A H24  1 c 
HETATM 3949 H H26  . A1INQ D 2 .   ? -8.022  -14.901 -22.97  1   15.454  ? 201 A1INQ A H26  1 c 
HETATM 3950 H H28  . A1INQ D 2 .   ? -10.314 -15.079 -23.71  1   16.437  ? 201 A1INQ A H28  1 c 
HETATM 3951 H H27  . A1INQ D 2 .   ? -9.346  -16.168 -24.367 1   16.254  ? 201 A1INQ A H27  1 c 
HETATM 3952 H H29  . A1INQ D 2 .   ? -11.325 -17.195 -23.656 1   16.543  ? 201 A1INQ A H29  1 c 
HETATM 3953 H H30  . A1INQ D 2 .   ? -11.082 -16.675 -22.169 1   16.581  ? 201 A1INQ A H30  1 c 
HETATM 3954 H H31  . A1INQ D 2 .   ? -9.404  -18.538 -23.537 1   16.864  ? 201 A1INQ A H31  1 c 
HETATM 3955 H H32  . A1INQ D 2 .   ? -10.364 -18.907 -22.329 1   16.737  ? 201 A1INQ A H32  1 c 
HETATM 3956 H H33  . A1INQ D 2 .   ? -8.07   -18.668 -21.666 1   15.852  ? 201 A1INQ A H33  1 c 
HETATM 3957 H H34  . A1INQ D 2 .   ? -9.059  -17.756 -20.821 1   15.946  ? 201 A1INQ A H34  1 c 
HETATM 3958 H H35  . A1INQ D 2 .   ? -6.116  -18.516 -21.651 1   15.994  ? 201 A1INQ A H35  1 c 
HETATM 3959 H H36  . A1INQ D 2 .   ? -3.943  -16.673 -21.322 1   16.776  ? 201 A1INQ A H36  1 c 
HETATM 3960 H H38  . A1INQ D 2 .   ? -4.39   -18.61  -23.379 1   17.094  ? 201 A1INQ A H38  1 c 
HETATM 3961 H H37  . A1INQ D 2 .   ? -4.535  -17.047 -23.581 1   16.874  ? 201 A1INQ A H37  1 c 
HETATM 3962 H H39  . A1INQ D 2 .   ? -2.246  -16.747 -23.254 1   17.89   ? 201 A1INQ A H39  1 c 
HETATM 3963 H H40  . A1INQ D 2 .   ? -2.474  -17.795 -24.429 1   17.757  ? 201 A1INQ A H40  1 c 
HETATM 3964 H H41  . A1INQ D 2 .   ? -0.804  -18.54  -22.907 1   19.146  ? 201 A1INQ A H41  1 c 
HETATM 3965 H H42  . A1INQ D 2 .   ? -2.008  -19.576 -23.001 1   19.132  ? 201 A1INQ A H42  1 c 
HETATM 3966 H H43  . A1INQ D 2 .   ? -1.63   -17.677 -20.929 1   19.66   ? 201 A1INQ A H43  1 c 
HETATM 3967 H H44  . A1INQ D 2 .   ? -1.495  -19.25  -20.766 1   19.604  ? 201 A1INQ A H44  1 c 
HETATM 3968 H H46  . A1INQ D 2 .   ? -3.781  -19.517 -21.108 1   18.511  ? 201 A1INQ A H46  1 c 
HETATM 3969 H H45  . A1INQ D 2 .   ? -3.541  -18.516 -19.906 1   18.261  ? 201 A1INQ A H45  1 c 
HETATM 3970 O O    . HOH   E 3 .   ? -33.063 -1.872  5.457   1   37.273  ? 301 HOH   B O    1 ? 
HETATM 3971 O O    . HOH   E 3 .   ? -5.444  -0.903  11.322  1   57.201  ? 302 HOH   B O    1 ? 
HETATM 3972 O O    . HOH   E 3 .   ? -26.239 11.98   0.804   1   32.19   ? 303 HOH   B O    1 ? 
HETATM 3973 O O    . HOH   E 3 .   ? -13.383 10.324  -14.42  1   33.459  ? 304 HOH   B O    1 ? 
HETATM 3974 O O    . HOH   E 3 .   ? -7.825  -12.928 1.358   1   36.454  ? 305 HOH   B O    1 ? 
HETATM 3975 O O    . HOH   E 3 .   ? -9.7    -6.726  10.156  1   21.784  ? 306 HOH   B O    1 ? 
HETATM 3976 O O    . HOH   E 3 .   ? -19.332 12.942  -0.471  1   30.646  ? 307 HOH   B O    1 ? 
HETATM 3977 O O    . HOH   E 3 .   ? -12.679 1.337   11.177  1   36.574  ? 308 HOH   B O    1 ? 
HETATM 3978 O O    . HOH   E 3 .   ? -34.538 -1.827  2.86    1   36.971  ? 309 HOH   B O    1 ? 
HETATM 3979 O O    . HOH   E 3 .   ? -26.897 -3.341  -11.15  1   27.661  ? 310 HOH   B O    1 ? 
HETATM 3980 O O    . HOH   E 3 .   ? -34.477 0.68    -11.428 1   41.841  ? 311 HOH   B O    1 ? 
HETATM 3981 O O    . HOH   E 3 .   ? -20.66  -8.814  7.421   1   33.431  ? 312 HOH   B O    1 ? 
HETATM 3982 O O    . HOH   E 3 .   ? -25.098 0.825   6.583   1   26.293  ? 313 HOH   B O    1 ? 
HETATM 3983 O O    . HOH   E 3 .   ? -14.027 -0.972  11.066  1   35.271  ? 314 HOH   B O    1 ? 
HETATM 3984 O O    . HOH   E 3 .   ? -14.591 12.906  0.085   1   33.754  ? 315 HOH   B O    1 ? 
HETATM 3985 O O    . HOH   E 3 .   ? -23.774 -8.315  2.348   1   26.466  ? 316 HOH   B O    1 ? 
HETATM 3986 O O    . HOH   E 3 .   ? -23.226 9.605   -14.944 1   32.93   ? 317 HOH   B O    1 ? 
HETATM 3987 O O    . HOH   E 3 .   ? -13.936 -12.607 6.478   1   22.349  ? 318 HOH   B O    1 ? 
HETATM 3988 O O    . HOH   E 3 .   ? -32.043 4.888   4.188   1   32.247  ? 319 HOH   B O    1 ? 
HETATM 3989 O O    . HOH   E 3 .   ? -21.996 -3.711  10.319  1   39.651  ? 320 HOH   B O    1 ? 
HETATM 3990 O O    . HOH   E 3 .   ? -19.6   -1.979  7.521   1   31.177  ? 321 HOH   B O    1 ? 
HETATM 3991 O O    . HOH   E 3 .   ? -12.776 -3.027  -21.748 1   30.724  ? 322 HOH   B O    1 ? 
HETATM 3992 O O    . HOH   E 3 .   ? -5.326  -7.474  -7.026  1   27.059  ? 323 HOH   B O    1 ? 
HETATM 3993 O O    . HOH   E 3 .   ? -25.204 4.487   7.816   1   27.409  ? 324 HOH   B O    1 ? 
HETATM 3994 O O    . HOH   E 3 .   ? -23.29  -6.7    9.403   1   44.723  ? 325 HOH   B O    1 ? 
HETATM 3995 O O    . HOH   E 3 .   ? -9.415  -6.901  -13.12  1   16.884  ? 326 HOH   B O    1 ? 
HETATM 3996 O O    . HOH   E 3 .   ? -8.215  -12.208 -5.346  1   23.123  ? 327 HOH   B O    1 ? 
HETATM 3997 O O    . HOH   E 3 .   ? -25.329 -7.006  0.482   1   20.072  ? 328 HOH   B O    1 ? 
HETATM 3998 O O    . HOH   E 3 .   ? -14.514 -17.485 5.587   1   45.391  ? 329 HOH   B O    1 ? 
HETATM 3999 O O    . HOH   E 3 .   ? -14.931 -17.412 -2.752  1   35.863  ? 330 HOH   B O    1 ? 
HETATM 4000 O O    . HOH   E 3 .   ? -4.211  -2.935  1.431   1   37.917  ? 331 HOH   B O    1 ? 
HETATM 4001 O O    . HOH   E 3 .   ? -27.144 11.874  -13.015 1   39.688  ? 332 HOH   B O    1 ? 
HETATM 4002 O O    . HOH   E 3 .   ? -7.06   -7.624  -3.01   1   23.353  ? 333 HOH   B O    1 ? 
HETATM 4003 O O    . HOH   E 3 .   ? -21.534 14.976  1.45    1   27.914  ? 334 HOH   B O    1 ? 
HETATM 4004 O O    . HOH   E 3 .   ? -6.946  -6.219  1.057   1   29.377  ? 335 HOH   B O    1 ? 
HETATM 4005 O O    . HOH   E 3 .   ? -15.952 -4.56   -18.806 1   29.829  ? 336 HOH   B O    1 ? 
HETATM 4006 O O    . HOH   E 3 .   ? -2.534  -6.763  -14.178 1   26.844  ? 337 HOH   B O    1 ? 
HETATM 4007 O O    . HOH   E 3 .   ? -19.825 -14.085 -1.688  1   21.811  ? 338 HOH   B O    1 ? 
HETATM 4008 O O    . HOH   E 3 .   ? -4.333  -6.498  -17.938 1   26.628  ? 339 HOH   B O    1 ? 
HETATM 4009 O O    . HOH   E 3 .   ? -22.18  -15.409 5.3     1   35.809  ? 340 HOH   B O    1 ? 
HETATM 4010 O O    . HOH   E 3 .   ? -18.325 -7.895  -11.156 1   19.076  ? 341 HOH   B O    1 ? 
HETATM 4011 O O    . HOH   E 3 .   ? -11.336 -6.822  -0.677  1   16.668  ? 342 HOH   B O    1 ? 
HETATM 4012 O O    . HOH   E 3 .   ? -12.354 -12.947 -4.137  1   27.715  ? 343 HOH   B O    1 ? 
HETATM 4013 O O    . HOH   E 3 .   ? -20.502 17.04   -9.035  1   30.558  ? 344 HOH   B O    1 ? 
HETATM 4014 O O    . HOH   E 3 .   ? -11.444 9.171   -14.865 1   46.753  ? 345 HOH   B O    1 ? 
HETATM 4015 O O    . HOH   E 3 .   ? -22.311 -1.524  7.087   1   25.262  ? 346 HOH   B O    1 ? 
HETATM 4016 O O    . HOH   E 3 .   ? -36.983 -4.543  -4.619  1   30.989  ? 347 HOH   B O    1 ? 
HETATM 4017 O O    . HOH   E 3 .   ? -10.378 -16.057 -13.544 1   27.047  ? 348 HOH   B O    1 ? 
HETATM 4018 O O    . HOH   E 3 .   ? -10.538 -6.216  7.698   1   23.274  ? 349 HOH   B O    1 ? 
HETATM 4019 O O    . HOH   E 3 .   ? -26.961 -2.242  6.558   1   38.691  ? 350 HOH   B O    1 ? 
HETATM 4020 O O    . HOH   E 3 .   ? -2.869  -7.893  -9.967  1   31.61   ? 351 HOH   B O    1 ? 
HETATM 4021 O O    . HOH   E 3 .   ? -10.586 3.718   4.703   1   25.396  ? 352 HOH   B O    1 ? 
HETATM 4022 O O    . HOH   E 3 .   ? -24.407 -11.595 2.657   1   39.207  ? 353 HOH   B O    1 ? 
HETATM 4023 O O    . HOH   E 3 .   ? -11.042 -5.853  -11.127 1   17.019  ? 354 HOH   B O    1 ? 
HETATM 4024 O O    . HOH   E 3 .   ? -22.057 -11.623 -1.275  1   29.187  ? 355 HOH   B O    1 ? 
HETATM 4025 O O    . HOH   E 3 .   ? -21.567 10.308  -12.767 1   33.986  ? 356 HOH   B O    1 ? 
HETATM 4026 O O    . HOH   E 3 .   ? -4.756  -3.959  -8.232  1   32.629  ? 357 HOH   B O    1 ? 
HETATM 4027 O O    . HOH   E 3 .   ? -11.772 -13.862 -12.911 1   39.769  ? 358 HOH   B O    1 ? 
HETATM 4028 O O    . HOH   E 3 .   ? -12.472 -12.301 -15.802 1   24.231  ? 359 HOH   B O    1 ? 
HETATM 4029 O O    . HOH   E 3 .   ? -34.311 13.432  -1.388  1   55.056  ? 360 HOH   B O    1 ? 
HETATM 4030 O O    . HOH   E 3 .   ? -18.014 0.078   9.212   1   32.998  ? 361 HOH   B O    1 ? 
HETATM 4031 O O    . HOH   E 3 .   ? -12.311 -10.591 7.313   1   22.792  ? 362 HOH   B O    1 ? 
HETATM 4032 O O    . HOH   E 3 .   ? -21.055 9.46    11.169  1   37.18   ? 363 HOH   B O    1 ? 
HETATM 4033 O O    . HOH   E 3 .   ? -10.215 -12.68  -10.496 1   37.442  ? 364 HOH   B O    1 ? 
HETATM 4034 O O    . HOH   E 3 .   ? -11.824 0.552   -19.757 1   28.609  ? 365 HOH   B O    1 ? 
HETATM 4035 O O    . HOH   E 3 .   ? -9.634  -6.284  -20.714 1   17.873  ? 366 HOH   B O    1 ? 
HETATM 4036 O O    . HOH   E 3 .   ? -10.747 -2.383  -24.893 1   53.806  ? 367 HOH   B O    1 ? 
HETATM 4037 O O    . HOH   E 3 .   ? -14.049 -14.95  -4.66   1   34.834  ? 368 HOH   B O    1 ? 
HETATM 4038 O O    . HOH   E 3 .   ? -25.258 7.898   -14.417 1   39.281  ? 369 HOH   B O    1 ? 
HETATM 4039 O O    . HOH   E 3 .   ? -3.336  2.553   1.371   1   30.638  ? 370 HOH   B O    1 ? 
HETATM 4040 O O    . HOH   E 3 .   ? -3.406  3.304   6.372   1   41.686  ? 371 HOH   B O    1 ? 
HETATM 4041 O O    . HOH   E 3 .   ? -7.818  -7.369  8.739   1   26.907  ? 372 HOH   B O    1 ? 
HETATM 4042 O O    . HOH   E 3 .   ? -23.899 16.756  -8.66   1   43.836  ? 373 HOH   B O    1 ? 
HETATM 4043 O O    . HOH   E 3 .   ? -4.878  8.61    -4.322  1   36.632  ? 374 HOH   B O    1 ? 
HETATM 4044 O O    . HOH   E 3 .   ? -7.582  -10.531 2.156   1   29.563  ? 375 HOH   B O    1 ? 
HETATM 4045 O O    . HOH   E 3 .   ? -17.598 -0.014  -19.403 1   32.195  ? 376 HOH   B O    1 ? 
HETATM 4046 O O    . HOH   E 3 .   ? -29.927 1.6     8.808   1   54.396  ? 377 HOH   B O    1 ? 
HETATM 4047 O O    . HOH   E 3 .   ? -7.077  -8.324  2.281   1   30.849  ? 378 HOH   B O    1 ? 
HETATM 4048 O O    . HOH   E 3 .   ? -29.588 13.547  -0.764  1   45.79   ? 379 HOH   B O    1 ? 
HETATM 4049 O O    . HOH   E 3 .   ? -6.457  8.188   3.074   1   51.241  ? 380 HOH   B O    1 ? 
HETATM 4050 O O    . HOH   E 3 .   ? -15.355 -10.457 -12.961 1   41.376  ? 381 HOH   B O    1 ? 
HETATM 4051 O O    . HOH   E 3 .   ? -10.99  -14.369 -2.293  1   33.879  ? 382 HOH   B O    1 ? 
HETATM 4052 O O    . HOH   E 3 .   ? -16.531 -1.744  9.47    1   35.52   ? 383 HOH   B O    1 ? 
HETATM 4053 O O    . HOH   E 3 .   ? -14.101 -18.114 1.967   1   41.771  ? 384 HOH   B O    1 ? 
HETATM 4054 O O    . HOH   E 3 .   ? -17.635 -13.696 -7.234  1   49.515  ? 385 HOH   B O    1 ? 
HETATM 4055 O O    . HOH   E 3 .   ? -9.368  5.842   5.98    1   34.453  ? 386 HOH   B O    1 ? 
HETATM 4056 O O    . HOH   E 3 .   ? -14.705 -10.805 -15.652 1   36.726  ? 387 HOH   B O    1 ? 
HETATM 4057 O O    . HOH   E 3 .   ? -17.961 10.543  -2.6    1   36.091  ? 388 HOH   B O    1 ? 
HETATM 4058 O O    . HOH   E 3 .   ? -10.942 -14.9   3.343   1   38.701  ? 389 HOH   B O    1 ? 
HETATM 4059 O O    . HOH   E 3 .   ? -23.463 16.815  -4.52   1   35.146  ? 390 HOH   B O    1 ? 
HETATM 4060 O O    . HOH   E 3 .   ? -11.74  -14.381 5.926   1   49.61   ? 391 HOH   B O    1 ? 
HETATM 4061 O O    . HOH   E 3 .   ? -19.57  4.505   11.647  1   38.803  ? 392 HOH   B O    1 ? 
HETATM 4062 O O    . HOH   E 3 .   ? -4.375  -15.072 -9.93   1   40.873  ? 393 HOH   B O    1 ? 
HETATM 4063 O O    . HOH   E 3 .   ? -8.486  -14.251 -3.401  1   32.797  ? 394 HOH   B O    1 ? 
HETATM 4064 O O    . HOH   E 3 .   ? -4.473  -2.568  -10.6   1   34.589  ? 395 HOH   B O    1 ? 
HETATM 4065 O O    . HOH   E 3 .   ? -3.507  -5.099  7.518   1   35.056  ? 396 HOH   B O    1 ? 
HETATM 4066 O O    . HOH   E 3 .   ? -6.974  -9.846  7.935   1   34.665  ? 397 HOH   B O    1 ? 
HETATM 4067 O O    . HOH   E 3 .   ? -16.432 -15.447 -6.278  1   56.96   ? 398 HOH   B O    1 ? 
HETATM 4068 O O    . HOH   E 3 .   ? -5.199  -9.555  -6.149  1   35.455  ? 399 HOH   B O    1 ? 
HETATM 4069 O O    . HOH   E 3 .   ? -29.752 14.138  -2.831  1   56.715  ? 400 HOH   B O    1 ? 
HETATM 4070 O O    . HOH   E 3 .   ? -6.482  9.937   -2.634  1   32.443  ? 401 HOH   B O    1 ? 
HETATM 4071 O O    . HOH   E 3 .   ? -20.383 9.595   -18.795 1   35.06   ? 402 HOH   B O    1 ? 
HETATM 4072 O O    . HOH   E 3 .   ? -20.128 -3.824  -15.303 1   37.059  ? 403 HOH   B O    1 ? 
HETATM 4073 O O    . HOH   E 3 .   ? -27.301 9.914   -15.004 1   43.529  ? 404 HOH   B O    1 ? 
HETATM 4074 O O    . HOH   E 3 .   ? -18.794 15.067  1.24    1   27.201  ? 405 HOH   B O    1 ? 
HETATM 4075 O O    . HOH   E 3 .   ? -18.126 -2.364  -17.976 1   32.085  ? 406 HOH   B O    1 ? 
HETATM 4076 O O    . HOH   E 3 .   ? -23.486 -7.31   4.854   1   31.482  ? 407 HOH   B O    1 ? 
HETATM 4077 O O    . HOH   E 3 .   ? -34.785 5.596   4.072   1   56.383  ? 408 HOH   B O    1 ? 
HETATM 4078 O O    . HOH   E 3 .   ? -13.074 -13.663 -11.129 1   51.124  ? 409 HOH   B O    1 ? 
HETATM 4079 O O    . HOH   E 3 .   ? -2.947  4.163   -0.728  1   45.977  ? 410 HOH   B O    1 ? 
HETATM 4080 O O    . HOH   E 3 .   ? -15.867 -18.363 -4.625  1   53.24   ? 411 HOH   B O    1 ? 
HETATM 4081 O O    . HOH   E 3 .   ? -6.956  -10.34  -3.794  1   30.412  ? 412 HOH   B O    1 ? 
HETATM 4082 O O    . HOH   E 3 .   ? -36.688 3.777   2.558   1   37.19   ? 413 HOH   B O    1 ? 
HETATM 4083 O O    . HOH   E 3 .   ? -16.165 -0.295  -21.649 1   33.083  ? 414 HOH   B O    1 ? 
HETATM 4084 O O    . HOH   E 3 .   ? -18.618 -18.499 6.543   1   44.332  ? 415 HOH   B O    1 ? 
HETATM 4085 O O    . HOH   E 3 .   ? -8.547  -16.329 -11.55  1   36.579  ? 416 HOH   B O    1 ? 
HETATM 4086 O O    . HOH   E 3 .   ? -24.185 2.929   9.962   1   43.473  ? 417 HOH   B O    1 ? 
HETATM 4087 O O    . HOH   E 3 .   ? -15.767 -12.368 8.641   1   46.109  ? 418 HOH   B O    1 ? 
HETATM 4088 O O    . HOH   E 3 .   ? -8.591  -6.768  -0.913  1   24.963  ? 419 HOH   B O    1 ? 
HETATM 4089 O O    . HOH   E 3 .   ? -20.379 0.532   10.836  1   35.163  ? 420 HOH   B O    1 ? 
HETATM 4090 O O    . HOH   E 3 .   ? -21.942 8.999   13.577  1   54.011  ? 421 HOH   B O    1 ? 
HETATM 4091 O O    . HOH   E 3 .   ? -22.014 -3.592  12.956  1   59.037  ? 422 HOH   B O    1 ? 
HETATM 4092 O O    . HOH   E 3 .   ? -18.143 9.604   -19.927 1   35.459  ? 423 HOH   B O    1 ? 
HETATM 4093 O O    . HOH   E 3 .   ? -14.111 -12.214 10.896  1   35.386  ? 424 HOH   B O    1 ? 
HETATM 4094 O O    . HOH   F 3 .   ? -17.426 -15.275 -40.017 1   33.247  ? 301 HOH   A O    1 ? 
HETATM 4095 O O    . HOH   F 3 .   ? 4.052   -8.398  -27.934 1   27.641  ? 302 HOH   A O    1 ? 
HETATM 4096 O O    . HOH   F 3 .   ? 1.45    -22.316 -33.566 1   36.178  ? 303 HOH   A O    1 ? 
HETATM 4097 O O    . HOH   F 3 .   ? -16.059 -19.875 -18.792 1   82.573  ? 304 HOH   A O    1 ? 
HETATM 4098 O O    . HOH   F 3 .   ? -2.911  0.061   -38.414 1   42.371  ? 305 HOH   A O    1 ? 
HETATM 4099 O O    . HOH   F 3 .   ? 1.643   -9.623  -36.163 1   34.914  ? 306 HOH   A O    1 ? 
HETATM 4100 O O    . HOH   F 3 .   ? -28.111 -14.288 -31.52  1   34.818  ? 307 HOH   A O    1 ? 
HETATM 4101 O O    . HOH   F 3 .   ? -28.948 -12.885 -25.717 1   35.124  ? 308 HOH   A O    1 ? 
HETATM 4102 O O    . HOH   F 3 .   ? -14.394 -6.951  -17.501 1   30.749  ? 309 HOH   A O    1 ? 
HETATM 4103 O O    . HOH   F 3 .   ? -14.941 -6.659  -36.011 1   34.293  ? 310 HOH   A O    1 ? 
HETATM 4104 O O    . HOH   F 3 .   ? -4.566  -24.672 -19.153 1   75.849  ? 311 HOH   A O    1 ? 
HETATM 4105 O O    . HOH   F 3 .   ? -13.3   0.815   -39.038 1   39.751  ? 312 HOH   A O    1 ? 
HETATM 4106 O O    . HOH   F 3 .   ? -16.181 -30.974 -25.85  1   33.127  ? 313 HOH   A O    1 ? 
HETATM 4107 O O    . HOH   F 3 .   ? -2.402  -9.014  -42.005 1   43.087  ? 314 HOH   A O    1 ? 
HETATM 4108 O O    . HOH   F 3 .   ? -8.383  -4.288  -24.481 1   29.511  ? 315 HOH   A O    1 ? 
HETATM 4109 O O    . HOH   F 3 .   ? -25.399 -15.14  -21.767 1   38.14   ? 316 HOH   A O    1 ? 
HETATM 4110 O O    . HOH   F 3 .   ? 4.455   -12.087 -26.844 1   35.172  ? 317 HOH   A O    1 ? 
HETATM 4111 O O    . HOH   F 3 .   ? -5.837  -27.895 -33.801 1   25.579  ? 318 HOH   A O    1 ? 
HETATM 4112 O O    . HOH   F 3 .   ? -18.639 -26.453 -20.682 1   39.12   ? 319 HOH   A O    1 ? 
HETATM 4113 O O    . HOH   F 3 .   ? -23.988 -19.182 -37.805 1   27.195  ? 320 HOH   A O    1 ? 
HETATM 4114 O O    . HOH   F 3 .   ? -5.514  -2.661  -40.985 1   34.131  ? 321 HOH   A O    1 ? 
HETATM 4115 O O    . HOH   F 3 .   ? -29.938 -13.168 -29.001 1   33.604  ? 322 HOH   A O    1 ? 
HETATM 4116 O O    . HOH   F 3 .   ? -19.366 -16.822 -17.973 1   50.795  ? 323 HOH   A O    1 ? 
HETATM 4117 O O    . HOH   F 3 .   ? -6.05   -20.339 -43.933 1   42.439  ? 324 HOH   A O    1 ? 
HETATM 4118 O O    . HOH   F 3 .   ? -11.871 -17.896 -14.279 1   39.712  ? 325 HOH   A O    1 ? 
HETATM 4119 O O    . HOH   F 3 .   ? -1.753  -1.407  -32.726 1   39.499  ? 326 HOH   A O    1 ? 
HETATM 4120 O O    . HOH   F 3 .   ? -28.445 -9.339  -25.003 1   41.251  ? 327 HOH   A O    1 ? 
HETATM 4121 O O    . HOH   F 3 .   ? -14.459 -13.268 -40.637 1   33.593  ? 328 HOH   A O    1 ? 
HETATM 4122 O O    . HOH   F 3 .   ? 0.435   -8.421  -21.541 1   17.501  ? 329 HOH   A O    1 ? 
HETATM 4123 O O    . HOH   F 3 .   ? -14.267 -29.579 -35.427 1   43.55   ? 330 HOH   A O    1 ? 
HETATM 4124 O O    . HOH   F 3 .   ? -1.288  -9.365  -23.448 1   17.921  ? 331 HOH   A O    1 ? 
HETATM 4125 O O    . HOH   F 3 .   ? -14.97  -6.09   -24.377 1   32.242  ? 332 HOH   A O    1 ? 
HETATM 4126 O O    . HOH   F 3 .   ? -3.101  -14.669 -14.598 1   28.302  ? 333 HOH   A O    1 ? 
HETATM 4127 O O    . HOH   F 3 .   ? -17.404 -18.65  -41.418 1   28.372  ? 334 HOH   A O    1 ? 
HETATM 4128 O O    . HOH   F 3 .   ? -17.575 -11.05  -22.394 1   17.881  ? 335 HOH   A O    1 ? 
HETATM 4129 O O    . HOH   F 3 .   ? -27.486 -13.481 -33.933 1   33.039  ? 336 HOH   A O    1 ? 
HETATM 4130 O O    . HOH   F 3 .   ? -13.097 -25.78  -21.001 1   42.583  ? 337 HOH   A O    1 ? 
HETATM 4131 O O    . HOH   F 3 .   ? -5.926  -1.33   -23.96  1   28.51   ? 338 HOH   A O    1 ? 
HETATM 4132 O O    . HOH   F 3 .   ? -21.398 -10.618 -38.34  1   33.8    ? 339 HOH   A O    1 ? 
HETATM 4133 O O    . HOH   F 3 .   ? 0.704   -8.352  -13.886 1   29.486  ? 340 HOH   A O    1 ? 
HETATM 4134 O O    . HOH   F 3 .   ? -12.073 -7.476  -20.891 1   18.136  ? 341 HOH   A O    1 ? 
HETATM 4135 O O    . HOH   F 3 .   ? 1.474   -0.901  -16.857 1   42.413  ? 342 HOH   A O    1 ? 
HETATM 4136 O O    . HOH   F 3 .   ? -16.496 -7.578  -33.942 1   23.629  ? 343 HOH   A O    1 ? 
HETATM 4137 O O    . HOH   F 3 .   ? -8.472  -6.886  -23.127 1   17.128  ? 344 HOH   A O    1 ? 
HETATM 4138 O O    . HOH   F 3 .   ? -18.778 -8.378  -28.486 1   28.594  ? 345 HOH   A O    1 ? 
HETATM 4139 O O    . HOH   F 3 .   ? -6.538  -7.291  -19.603 1   23.055  ? 346 HOH   A O    1 ? 
HETATM 4140 O O    . HOH   F 3 .   ? 2.041   -8.263  -31.947 1   27.163  ? 347 HOH   A O    1 ? 
HETATM 4141 O O    . HOH   F 3 .   ? -2.458  -8.516  -33.921 1   25.645  ? 348 HOH   A O    1 ? 
HETATM 4142 O O    . HOH   F 3 .   ? -12.606 -3.143  -32.554 1   30.989  ? 349 HOH   A O    1 ? 
HETATM 4143 O O    . HOH   F 3 .   ? -18.796 -11.553 -39.297 1   32.998  ? 350 HOH   A O    1 ? 
HETATM 4144 O O    . HOH   F 3 .   ? -21.17  -19.43  -43.966 1   41.565  ? 351 HOH   A O    1 ? 
HETATM 4145 O O    . HOH   F 3 .   ? -10.515 -0.869  -32.374 1   26.238  ? 352 HOH   A O    1 ? 
HETATM 4146 O O    . HOH   F 3 .   ? -2.868  -19.086 -39.412 1   46.174  ? 353 HOH   A O    1 ? 
HETATM 4147 O O    . HOH   F 3 .   ? -5.047  -16.262 -14.011 1   41.206  ? 354 HOH   A O    1 ? 
HETATM 4148 O O    . HOH   F 3 .   ? 6.462   -8.958  -17.553 1   31.487  ? 355 HOH   A O    1 ? 
HETATM 4149 O O    . HOH   F 3 .   ? 6.064   -6.392  -15.543 1   36.015  ? 356 HOH   A O    1 ? 
HETATM 4150 O O    . HOH   F 3 .   ? 5.111   -14.043 -17.392 1   38.763  ? 357 HOH   A O    1 ? 
HETATM 4151 O O    . HOH   F 3 .   ? 4.689   -18.504 -36.349 1   38.216  ? 358 HOH   A O    1 ? 
HETATM 4152 O O    . HOH   F 3 .   ? -23.049 -14.267 -17.68  1   51.829  ? 359 HOH   A O    1 ? 
HETATM 4153 O O    . HOH   F 3 .   ? -14.232 -24.224 -44.78  1   39.431  ? 360 HOH   A O    1 ? 
HETATM 4154 O O    . HOH   F 3 .   ? -2.109  -10.956 -12.102 1   27.181  ? 361 HOH   A O    1 ? 
HETATM 4155 O O    . HOH   F 3 .   ? -16.779 -22.722 -19.338 1   33.391  ? 362 HOH   A O    1 ? 
HETATM 4156 O O    . HOH   F 3 .   ? -2.238  -20.596 -41.226 1   37.144  ? 363 HOH   A O    1 ? 
HETATM 4157 O O    . HOH   F 3 .   ? -2.911  -2.519  -30.612 1   30.307  ? 364 HOH   A O    1 ? 
HETATM 4158 O O    . HOH   F 3 .   ? -1.839  -1.298  -21.357 1   39.701  ? 365 HOH   A O    1 ? 
HETATM 4159 O O    . HOH   F 3 .   ? -16.527 -17.56  -18.502 1   38.358  ? 366 HOH   A O    1 ? 
HETATM 4160 O O    . HOH   F 3 .   ? -4.149  -4.744  -42.005 1   33.291  ? 367 HOH   A O    1 ? 
HETATM 4161 O O    . HOH   F 3 .   ? -22.491 -17.696 -20.154 1   43.832  ? 368 HOH   A O    1 ? 
HETATM 4162 O O    . HOH   F 3 .   ? -0.999  -15.291 -12.953 1   20.604  ? 369 HOH   A O    1 ? 
HETATM 4163 O O    . HOH   F 3 .   ? 6.181   -10.36  -23.447 1   38.131  ? 370 HOH   A O    1 ? 
HETATM 4164 O O    . HOH   F 3 .   ? -18.764 -4.71   -25.391 1   32.504  ? 371 HOH   A O    1 ? 
HETATM 4165 O O    . HOH   F 3 .   ? -10.275 -14.996 -43.399 1   46.281  ? 372 HOH   A O    1 ? 
HETATM 4166 O O    . HOH   F 3 .   ? 1.541   -24.546 -20.53  1   48.381  ? 373 HOH   A O    1 ? 
HETATM 4167 O O    . HOH   F 3 .   ? -10.986 -12.968 -41.418 1   47.369  ? 374 HOH   A O    1 ? 
HETATM 4168 O O    . HOH   F 3 .   ? -1.868  -14.112 -10.436 1   23.289  ? 375 HOH   A O    1 ? 
HETATM 4169 O O    . HOH   F 3 .   ? 1.536   -5.704  -37.082 1   39.192  ? 376 HOH   A O    1 ? 
HETATM 4170 O O    . HOH   F 3 .   ? -7.916  -13.975 -44.073 1   53.779  ? 377 HOH   A O    1 ? 
HETATM 4171 O O    . HOH   F 3 .   ? -9.437  -25.513 -31.326 1   38.387  ? 378 HOH   A O    1 ? 
HETATM 4172 O O    . HOH   F 3 .   ? -26.06  -23.236 -37.885 1   48.471  ? 379 HOH   A O    1 ? 
HETATM 4173 O O    . HOH   F 3 .   ? -11.843 1.313   -42.506 1   51.155  ? 380 HOH   A O    1 ? 
HETATM 4174 O O    . HOH   F 3 .   ? 3.201   -15.835 -43.826 1   41.564  ? 381 HOH   A O    1 ? 
HETATM 4175 O O    . HOH   F 3 .   ? 4.744   -20.284 -34.2   1   60.344  ? 382 HOH   A O    1 ? 
HETATM 4176 O O    . HOH   F 3 .   ? -4.35   -0.14   -29.041 1   39.753  ? 383 HOH   A O    1 ? 
HETATM 4177 O O    . HOH   F 3 .   ? -13.508 -14.712 -15.778 1   67.931  ? 384 HOH   A O    1 ? 
HETATM 4178 O O    . HOH   F 3 .   ? -8.175  -28.859 -34.551 1   27.948  ? 385 HOH   A O    1 ? 
HETATM 4179 O O    . HOH   F 3 .   ? -0.962  -17.958 -12.474 1   38.404  ? 386 HOH   A O    1 ? 
HETATM 4180 O O    . HOH   F 3 .   ? -2.09   -3.82   -43.641 1   39.145  ? 387 HOH   A O    1 ? 
HETATM 4181 O O    . HOH   F 3 .   ? -16.28  -17.045 -43.416 1   32.968  ? 388 HOH   A O    1 ? 
HETATM 4182 O O    . HOH   F 3 .   ? -10.274 -30.052 -33.052 1   38.137  ? 389 HOH   A O    1 ? 
HETATM 4183 O O    . HOH   F 3 .   ? -26.363 -20.602 -36.993 1   48.888  ? 390 HOH   A O    1 ? 
HETATM 4184 O O    . HOH   F 3 .   ? -15.028 -5.112  -26.889 1   39.39   ? 391 HOH   A O    1 ? 
HETATM 4185 O O    . HOH   F 3 .   ? -15.361 -10.33  -39.94  1   43.649  ? 392 HOH   A O    1 ? 
HETATM 4186 O O    . HOH   F 3 .   ? -13.248 -5.516  -22.506 1   30.906  ? 393 HOH   A O    1 ? 
HETATM 4187 O O    . HOH   F 3 .   ? -17.489 -5.954  -27.585 1   33.874  ? 394 HOH   A O    1 ? 
HETATM 4188 O O    . HOH   F 3 .   ? -15.091 -7.864  -38.914 1   45.38   ? 395 HOH   A O    1 ? 
HETATM 4189 O O    . HOH   F 3 .   ? 0.262   -8.999  -33.973 1   32.394  ? 396 HOH   A O    1 ? 
HETATM 4190 O O    . HOH   F 3 .   ? -0.54   -15.646 -8.559  1   20.611  ? 397 HOH   A O    1 ? 
HETATM 4191 O O    . HOH   F 3 .   ? 4.998   -12.818 -23.974 1   40.288  ? 398 HOH   A O    1 ? 
HETATM 4192 O O    . HOH   F 3 .   ? -3.536  -0.825  -22.443 1   35.405  ? 399 HOH   A O    1 ? 
HETATM 4193 O O    . HOH   F 3 .   ? -21.311 -26.73  -22.047 1   39.149  ? 400 HOH   A O    1 ? 
HETATM 4194 O O    . HOH   F 3 .   ? -5.911  3.57    -24.69  1   42.8    ? 401 HOH   A O    1 ? 
HETATM 4195 O O    . HOH   F 3 .   ? 0.307   -18.314 -8.984  1   22.751  ? 402 HOH   A O    1 ? 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N    . GLY   A 1   ? 0.357365 0.442765 0.507345  -0.100891   -0.0243643  0.0461734   13  GLY   B N    
2    C CA   . GLY   A 1   ? 0.31225  0.373171 0.457096  -0.104103   -0.065733   0.0206932   13  GLY   B CA   
3    C C    . GLY   A 1   ? 0.306456 0.348362 0.442466  -0.0904968  -0.0646024  0.0360895   13  GLY   B C    
4    O O    . GLY   A 1   ? 0.310027 0.320231 0.373091  -0.0980194  -0.0779293  0.0248191   13  GLY   B O    
5    H H1   . GLY   A 1   ? 0.351151 0.422483 0.489176  -0.0936793  -0.0375961  0.0376728   13  GLY   B H1   
6    H H2   . GLY   A 1   ? 0.3448   0.427746 0.492891  -0.0973972  -0.0372775  0.0434526   13  GLY   B H2   
7    H H3   . GLY   A 1   ? 0.344922 0.420677 0.492799  -0.0970787  -0.0376768  0.036687    13  GLY   B H3   
8    H HA2  . GLY   A 1   ? 0.321262 0.37524  0.457624  -0.096864   -0.0546106  0.0252436   13  GLY   B HA2  
9    H HA3  . GLY   A 1   ? 0.321137 0.379168 0.460173  -0.0966615  -0.0547913  0.0280972   13  GLY   B HA3  
10   N N    . ALA   A 2   ? 0.314386 0.312394 0.366835  -0.0736303  -0.0719779  0.0438144   14  ALA   B N    
11   C CA   . ALA   A 2   ? 0.273722 0.301623 0.350439  -0.0505016  -0.060852   0.00309743  14  ALA   B CA   
12   C C    . ALA   A 2   ? 0.264389 0.267658 0.289249  -0.0392386  -0.0345598  0.0187149   14  ALA   B C    
13   O O    . ALA   A 2   ? 0.303616 0.270114 0.236499  -0.0242257  0.00302116  -0.00289468 14  ALA   B O    
14   C CB   . ALA   A 2   ? 0.296138 0.275609 0.373124  -0.0569188  -0.0809263  0.00383271  14  ALA   B CB   
15   H H    . ALA   A 2   ? 0.303125 0.311223 0.372751  -0.0712247  -0.0645359  0.0370474   14  ALA   B H    
16   H HA   . ALA   A 2   ? 0.284198 0.292577 0.345931  -0.052061   -0.0592862  0.0135768   14  ALA   B HA   
17   H HB1  . ALA   A 2   ? 0.290979 0.281567 0.365057  -0.0530186  -0.0724885  0.00224594  14  ALA   B HB1  
18   H HB2  . ALA   A 2   ? 0.29095  0.284164 0.368189  -0.0528345  -0.0724922  0.00343676  14  ALA   B HB2  
19   H HB3  . ALA   A 2   ? 0.29274  0.284328 0.365664  -0.0520251  -0.072703   0.00325944  14  ALA   B HB3  
20   N N    . PRO   A 3   ? 0.25583  0.313576 0.262254  -0.0710452  -0.00387221 0.0476264   15  PRO   B N    
21   C CA   . PRO   A 3   ? 0.25261  0.317531 0.216406  -0.0386682  -0.00280088 0.0167092   15  PRO   B CA   
22   C C    . PRO   A 3   ? 0.237044 0.297848 0.234698  -0.035289   -0.00085707 0.00475881  15  PRO   B C    
23   O O    . PRO   A 3   ? 0.263547 0.299102 0.200166  -0.0380176  0.0113163   -0.0016922  15  PRO   B O    
24   C CB   . PRO   A 3   ? 0.248704 0.324657 0.225078  -0.0484651  0.00032075  0.00815855  15  PRO   B CB   
25   C CG   . PRO   A 3   ? 0.293999 0.335189 0.261688  -0.0416734  -0.00434952 0.0477086   15  PRO   B CG   
26   C CD   . PRO   A 3   ? 0.275999 0.290616 0.297342  -0.0626946  -0.00322058 0.0528274   15  PRO   B CD   
27   H HA   . PRO   A 3   ? 0.253098 0.313022 0.230778  -0.0434933  -0.00144757 0.0182428   15  PRO   B HA   
28   H HB2  . PRO   A 3   ? 0.255093 0.32224  0.230432  -0.0429992  -0.00200664 0.0173228   15  PRO   B HB2  
29   H HB3  . PRO   A 3   ? 0.256686 0.319325 0.228255  -0.0452584  -0.00311087 0.0146621   15  PRO   B HB3  
30   H HG2  . PRO   A 3   ? 0.282401 0.321959 0.264118  -0.0458189  -0.00517207 0.0371427   15  PRO   B HG2  
31   H HG3  . PRO   A 3   ? 0.283754 0.321818 0.262673  -0.046935   -0.0010752  0.0376042   15  PRO   B HG3  
32   H HD2  . PRO   A 3   ? 0.27551  0.305322 0.282373  -0.0579932  -0.00394659 0.0492793   15  PRO   B HD2  
33   H HD3  . PRO   A 3   ? 0.274285 0.301863 0.282273  -0.0563837  -0.00456061 0.049086    15  PRO   B HD3  
34   N N    . ALA   A 4   ? 0.242358 0.316774 0.2521    -0.0428787  -0.00693991 0.0173028   16  ALA   B N    
35   C CA   . ALA   A 4   ? 0.237408 0.347648 0.242663  -0.0312289  -0.0018164  0.0117765   16  ALA   B CA   
36   C C    . ALA   A 4   ? 0.235215 0.326814 0.229565  -0.0495474  -0.00989238 0.0195375   16  ALA   B C    
37   O O    . ALA   A 4   ? 0.231783 0.317282 0.239283  -0.0391215  -0.0365052  0.0166253   16  ALA   B O    
38   C CB   . ALA   A 4   ? 0.222367 0.386435 0.25498   -0.0229698  -0.00183439 0.0193445   16  ALA   B CB   
39   H H    . ALA   A 4   ? 0.240529 0.315223 0.246233  -0.038405   -0.00357577 0.0138197   16  ALA   B H    
40   H HA   . ALA   A 4   ? 0.237499 0.341976 0.245681  -0.0343672  -0.00366549 0.0150399   16  ALA   B HA   
41   H HB1  . ALA   A 4   ? 0.229468 0.37319  0.253548  -0.0242861  -0.0012776  0.0173065   16  ALA   B HB1  
42   H HB2  . ALA   A 4   ? 0.229436 0.37669  0.253648  -0.0244097  -0.00131624 0.0185292   16  ALA   B HB2  
43   H HB3  . ALA   A 4   ? 0.22957  0.373376 0.253721  -0.024429   -0.00108069 0.0170298   16  ALA   B HB3  
44   N N    . THR   A 5   ? 0.242943 0.328854 0.216005  -0.0455309  -0.0157968  0.0112293   17  THR   B N    
45   C CA   . THR   A 5   ? 0.215162 0.332892 0.228983  -0.0478226  -0.0183064  -0.00717034 17  THR   B CA   
46   C C    . THR   A 5   ? 0.22805  0.306955 0.195482  -0.0555448  -0.0280339  0.00130429  17  THR   B C    
47   O O    . THR   A 5   ? 0.261073 0.336704 0.175714  -0.0626863  -0.0223102  0.00227514  17  THR   B O    
48   C CB   . THR   A 5   ? 0.275269 0.342027 0.253042  -0.054414   -0.00564558 -0.039635   17  THR   B CB   
49   O OG1  . THR   A 5   ? 0.284104 0.337521 0.325909  -0.0678266  -0.0233763  -0.0702617  17  THR   B OG1  
50   C CG2  . THR   A 5   ? 0.260184 0.346549 0.261299  -0.0385691  0.0037102   -0.0372416  17  THR   B CG2  
51   H H    . THR   A 5   ? 0.236214 0.325914 0.223603  -0.0456832  -0.0138807  0.00962507  17  THR   B H    
52   H HA   . THR   A 5   ? 0.233489 0.326341 0.224298  -0.0480884  -0.0178364  -0.00640642 17  THR   B HA   
53   H HB   . THR   A 5   ? 0.262684 0.338673 0.263449  -0.0508879  -0.00943342 -0.0364606  17  THR   B HB   
54   H HG1  . THR   A 5   ? 0.317009 0.317009 0.317009  0           0           0           17  THR   B HG1  
55   H HG21 . THR   A 5   ? 0.265845 0.343029 0.259993  -0.0415077  0.00118931  -0.0365693  17  THR   B HG21 
56   H HG22 . THR   A 5   ? 0.265907 0.343481 0.260481  -0.0416182  0.00132142  -0.0366796  17  THR   B HG22 
57   H HG23 . THR   A 5   ? 0.266406 0.343209 0.259511  -0.0409486  0.00116695  -0.0362107  17  THR   B HG23 
58   N N    . VAL   A 6   ? 0.235551 0.281771 0.179281  -0.0531227  -0.0138285  -0.010538   18  VAL   B N    
59   C CA   . VAL   A 6   ? 0.220907 0.267921 0.157829  -0.0392011  -0.0120882  -0.00439093 18  VAL   B CA   
60   C C    . VAL   A 6   ? 0.207047 0.287027 0.15735   -0.0259287  -0.0121167  -0.00332935 18  VAL   B C    
61   O O    . VAL   A 6   ? 0.227374 0.27794  0.168357  -0.0190163  -0.0192219  0.0117705   18  VAL   B O    
62   C CB   . VAL   A 6   ? 0.217754 0.264973 0.16238   -0.0216639  -0.0177627  0.00173167  18  VAL   B CB   
63   C CG1  . VAL   A 6   ? 0.266433 0.261152 0.146295  -0.0302378  -0.0194053  -0.0134878  18  VAL   B CG1  
64   C CG2  . VAL   A 6   ? 0.26076  0.265233 0.241181  -0.0348671  -0.0156153  -0.0112475  18  VAL   B CG2  
65   H H    . VAL   A 6   ? 0.230859 0.283043 0.180951  -0.048165   -0.0160728  -0.00610428 18  VAL   B H    
66   H HA   . VAL   A 6   ? 0.220138 0.27268  0.163812  -0.0344093  -0.0120021  -0.0044122  18  VAL   B HA   
67   H HB   . VAL   A 6   ? 0.230948 0.263537 0.168945  -0.0271051  -0.0130425  -0.00492977 18  VAL   B HB   
68   H HG11 . VAL   A 6   ? 0.251616 0.261637 0.155183  -0.0266383  -0.0188605  -0.00818321 18  VAL   B HG11 
69   H HG12 . VAL   A 6   ? 0.250748 0.262666 0.154152  -0.0267635  -0.0180917  -0.008085   18  VAL   B HG12 
70   H HG13 . VAL   A 6   ? 0.25102  0.261613 0.15442   -0.0265429  -0.0184132  -0.00821025 18  VAL   B HG13 
71   H HG21 . VAL   A 6   ? 0.250239 0.265294 0.228739  -0.0302396  -0.0110263  -0.00746927 18  VAL   B HG21 
72   H HG22 . VAL   A 6   ? 0.248988 0.266057 0.219032  -0.0291738  -0.0154098  -0.00659179 18  VAL   B HG22 
73   H HG23 . VAL   A 6   ? 0.251592 0.26555  0.223615  -0.0309103  -0.0193477  -0.0054928  18  VAL   B HG23 
74   N N    . THR   A 7   ? 0.215129 0.279258 0.187186  -0.0335036  -0.00930245 0.00627737  19  THR   B N    
75   C CA   . THR   A 7   ? 0.208519 0.302031 0.21111   -0.0280584  -0.0159722  -0.0122085  19  THR   B CA   
76   C C    . THR   A 7   ? 0.217967 0.320531 0.229806  -0.0419757  -0.0267531  0.0236417   19  THR   B C    
77   O O    . THR   A 7   ? 0.222628 0.33176  0.216313  -0.0103467  -0.0377706  0.0403628   19  THR   B O    
78   C CB   . THR   A 7   ? 0.210249 0.315579 0.214857  -0.0128913  -0.00972615 -0.0223949  19  THR   B CB   
79   O OG1  . THR   A 7   ? 0.241412 0.332415 0.219425  -0.0304268  0.00212519  -0.0173411  19  THR   B OG1  
80   C CG2  . THR   A 7   ? 0.25649  0.311086 0.2538    0.00328187  0.00410013  -0.0127525  19  THR   B CG2  
81   H H    . THR   A 7   ? 0.211163 0.281697 0.184332  -0.0314648  -0.00937494 0.0020555   19  THR   B H    
82   H HA   . THR   A 7   ? 0.211592 0.29918  0.209957  -0.0293241  -0.0158365  -0.00504332 19  THR   B HA   
83   H HB   . THR   A 7   ? 0.222909 0.311461 0.221478  -0.016921   -0.00666258 -0.017718   19  THR   B HB   
84   H HG1  . THR   A 7   ? 0.265588 0.265588 0.265588  0           0           0           19  THR   B HG1  
85   H HG21 . THR   A 7   ? 0.247382 0.312644 0.244784  -0.00127921 -0.00240533 -0.0147001  19  THR   B HG21 
86   H HG22 . THR   A 7   ? 0.244717 0.315588 0.244128  0.00088115  0.0003969   -0.0136193  19  THR   B HG22 
87   H HG23 . THR   A 7   ? 0.243284 0.31268  0.249925  -0.00140474 0.00029296  -0.0147788  19  THR   B HG23 
88   N N    . GLU   A 8   ? 0.200583 0.323235 0.229251  -0.0314957  -0.0468978  0.0333232   20  GLU   B N    
89   C CA   . GLU   A 8   ? 0.23935  0.327583 0.241184  -0.0200932  -0.0634691  0.0423671   20  GLU   B CA   
90   C C    . GLU   A 8   ? 0.254807 0.300722 0.243943  -0.0291057  -0.04435    0.0381307   20  GLU   B C    
91   O O    . GLU   A 8   ? 0.319599 0.307677 0.229715  0.00598769  -0.0577177  0.0366569   20  GLU   B O    
92   C CB   . GLU   A 8   ? 0.300759 0.383786 0.20686   -0.0418635  -0.0689889  0.0203935   20  GLU   B CB   
93   C CG   . GLU   A 8   ? 0.366585 0.485929 0.317895  -0.0811102  -0.0540039  -0.0166462  20  GLU   B CG   
94   C CD   . GLU   A 8   ? 0.432701 0.548877 0.375907  -0.121398   -0.0297319  -0.0573855  20  GLU   B CD   
95   O OE1  . GLU   A 8   ? 0.617355 0.667425 0.425451  -0.120446   0.0260986   -0.0990101  20  GLU   B OE1  
96   O OE2  . GLU   A 8   ? 0.497711 0.644676 0.435714  -0.0545848  0.0652311   -0.0299007  20  GLU   B OE2  
97   H H    . GLU   A 8   ? 0.215127 0.320919 0.231832  -0.0306754  -0.0438181  0.0318802   20  GLU   B H    
98   H HA   . GLU   A 8   ? 0.243929 0.325186 0.234416  -0.0245388  -0.0555653  0.0354933   20  GLU   B HA   
99   H HB2  . GLU   A 8   ? 0.295166 0.381453 0.232309  -0.0409729  -0.0627095  0.0197502   20  GLU   B HB2  
100  H HB3  . GLU   A 8   ? 0.296257 0.383879 0.216399  -0.041624   -0.0630172  0.0198965   20  GLU   B HB3  
101  H HG2  . GLU   A 8   ? 0.361577 0.471306 0.302821  -0.0773752  -0.0499703  -0.0157289  20  GLU   B HG2  
102  H HG3  . GLU   A 8   ? 0.358224 0.463569 0.311214  -0.074264   -0.0506203  -0.0113125  20  GLU   B HG3  
103  N N    . GLN   A 9   ? 0.229265 0.33235  0.167796  -0.0228747  -0.0351687  0.0269359   21  GLN   B N    
104  C CA   . GLN   A 9   ? 0.242993 0.35175  0.171292  -0.0183491  -0.0221098  0.00325074  21  GLN   B CA   
105  C C    . GLN   A 9   ? 0.239302 0.302537 0.170767  -0.00974032 -0.0385498  -0.0114909  21  GLN   B C    
106  O O    . GLN   A 9   ? 0.256978 0.327099 0.203665  -0.0261302  -0.0198019  -0.0100733  21  GLN   B O    
107  C CB   . GLN   A 9   ? 0.246672 0.36905  0.177543  -0.00946923 -0.0106031  0.00473431  21  GLN   B CB   
108  C CG   . GLN   A 9   ? 0.261317 0.389507 0.237165  -0.0194751  -0.0031545  -0.0132168  21  GLN   B CG   
109  C CD   . GLN   A 9   ? 0.308707 0.433249 0.226972  -0.0486044  0.00187659  -0.0468246  21  GLN   B CD   
110  O OE1  . GLN   A 9   ? 0.397553 0.437428 0.271694  -0.00278163 -0.0211101  -0.0215073  21  GLN   B OE1  
111  N NE2  . GLN   A 9   ? 0.358497 0.522096 0.352467  -0.0610193  -0.0242528  -0.107671   21  GLN   B NE2  
112  H H    . GLN   A 9   ? 0.237935 0.323838 0.179336  -0.0224813  -0.033119   0.0283321   21  GLN   B H    
113  H HA   . GLN   A 9   ? 0.241599 0.339434 0.177903  -0.0152814  -0.0246117  0.00442113  21  GLN   B HA   
114  H HB2  . GLN   A 9   ? 0.248923 0.3634   0.186548  -0.0117388  -0.0116793  0.00409416  21  GLN   B HB2  
115  H HB3  . GLN   A 9   ? 0.247476 0.365183 0.188143  -0.0120298  -0.00893267 0.00119918  21  GLN   B HB3  
116  H HG2  . GLN   A 9   ? 0.269159 0.392224 0.22521   -0.0221533  -0.00300894 -0.0161059  21  GLN   B HG2  
117  H HG3  . GLN   A 9   ? 0.269685 0.391169 0.223856  -0.0219052  -0.00421686 -0.0145518  21  GLN   B HG3  
118  H HE21 . GLN   A 9   ? 0.345027 0.49737  0.310111  -0.0547137  -0.0138195  -0.0787841  21  GLN   B HE21 
119  H HE22 . GLN   A 9   ? 0.351984 0.49355  0.30915   -0.0605263  -0.0140528  -0.0809313  21  GLN   B HE22 
120  N N    . GLY   A 10  ? 0.224902 0.275136 0.153359  -0.0279755  -0.0382818  -0.00608859 22  GLY   B N    
121  C CA   . GLY   A 10  ? 0.216755 0.258856 0.16571   -0.010927   -0.00930182 -0.0107743  22  GLY   B CA   
122  C C    . GLY   A 10  ? 0.239827 0.249142 0.129001  -0.0108497  -0.0115428  0.00471624  22  GLY   B C    
123  O O    . GLY   A 10  ? 0.240643 0.233292 0.167004  -0.0149577  -0.0121675  0.00110706  22  GLY   B O    
124  H H    . GLY   A 10  ? 0.228078 0.276663 0.162665  -0.0195311  -0.0316346  -0.00710895 22  GLY   B H    
125  H HA2  . GLY   A 10  ? 0.222957 0.256498 0.156992  -0.0119485  -0.0151426  -0.0067717  22  GLY   B HA2  
126  H HA3  . GLY   A 10  ? 0.223822 0.259003 0.162338  -0.0138335  -0.0164064  -0.0062123  22  GLY   B HA3  
127  N N    . GLU   A 11  ? 0.241511 0.232046 0.118259  -0.00623437 -0.00533119 0.00965628  23  GLU   B N    
128  C CA   . GLU   A 11  ? 0.257489 0.260758 0.13689   -0.0062576  0.0148795   0.019738    23  GLU   B CA   
129  C C    . GLU   A 11  ? 0.200745 0.253876 0.142157  0.0024055   0.0028758   0.0114678   23  GLU   B C    
130  O O    . GLU   A 11  ? 0.240424 0.2298   0.141836  -0.00568666 -0.0109593  0.0197656   23  GLU   B O    
131  C CB   . GLU   A 11  ? 0.240394 0.276858 0.138012  -0.00782431 0.0218869   0.0131598   23  GLU   B CB   
132  C CG   . GLU   A 11  ? 0.284875 0.324813 0.183874  -0.0191346  0.0508268   -0.00225475 23  GLU   B CG   
133  C CD   . GLU   A 11  ? 0.282219 0.330532 0.287879  -0.0236252  0.092422    -0.00368991 23  GLU   B CD   
134  O OE1  . GLU   A 11  ? 0.365728 0.405788 0.488949  0.0162057   0.0964944   -0.0434923  23  GLU   B OE1  
135  O OE2  . GLU   A 11  ? 0.327779 0.385017 0.37566   -0.0542421  0.064442    -0.0711245  23  GLU   B OE2  
136  H H    . GLU   A 11  ? 0.242128 0.237171 0.127599  -0.00490788 -0.00219755 0.0112307   23  GLU   B H    
137  H HA   . GLU   A 11  ? 0.239194 0.255562 0.138183  -0.00498861 0.00991198  0.0135828   23  GLU   B HA   
138  H HB2  . GLU   A 11  ? 0.2515   0.278037 0.14431   -0.00900079 0.0246147   0.01005     23  GLU   B HB2  
139  H HB3  . GLU   A 11  ? 0.251234 0.276384 0.145686  -0.00768261 0.0241497   0.0138781   23  GLU   B HB3  
140  H HG2  . GLU   A 11  ? 0.270434 0.309359 0.188976  -0.0163344  0.0496273   0.00032248  23  GLU   B HG2  
141  H HG3  . GLU   A 11  ? 0.271165 0.311977 0.192476  -0.0170286  0.0507006   -0.00058253 23  GLU   B HG3  
142  N N    . ASP   A 12  ? 0.206816 0.252692 0.110831  -0.00076449 -0.00661962 0.0185991   24  ASP   B N    
143  C CA   . ASP   A 12  ? 0.188129 0.231435 0.135839  -0.00262013 0.00609374  0.0154848   24  ASP   B CA   
144  C C    . ASP   A 12  ? 0.203167 0.227712 0.169361  -0.0200214  -0.0092176  0.0145209   24  ASP   B C    
145  O O    . ASP   A 12  ? 0.22098  0.281327 0.173974  -0.0309024  0.00945642  0.0333242   24  ASP   B O    
146  C CB   . ASP   A 12  ? 0.192609 0.234127 0.155505  0.00459084  0.0122257   0.0190158   24  ASP   B CB   
147  C CG   . ASP   A 12  ? 0.210153 0.224425 0.156271  0.0102807   0.00760721  0.0298602   24  ASP   B CG   
148  O OD1  . ASP   A 12  ? 0.207147 0.241126 0.168507  0.00254681  -0.0111802  0.0136749   24  ASP   B OD1  
149  O OD2  . ASP   A 12  ? 0.22044  0.227391 0.192028  0.00668502  -0.00873024 0.0261805   24  ASP   B OD2  
150  H H    . ASP   A 12  ? 0.201171 0.244592 0.118536  0.00062571  -0.00277771 0.0202023   24  ASP   B H    
151  H HA   . ASP   A 12  ? 0.194844 0.233737 0.139289  -0.0045604  0.00370184  0.0177411   24  ASP   B HA   
152  H HB2  . ASP   A 12  ? 0.194889 0.2305   0.152216  0.00401674  0.00932916  0.0199609   24  ASP   B HB2  
153  H HB3  . ASP   A 12  ? 0.195587 0.230818 0.153117  0.00402008  0.00906081  0.0196825   24  ASP   B HB3  
154  N N    . ILE   A 13  ? 0.198161 0.254443 0.149048  -0.00034924 -0.00497544 0.00208028  25  ILE   B N    
155  C CA   . ILE   A 13  ? 0.181147 0.23491  0.166264  0.001191    -0.00247796 -0.00657081 25  ILE   B CA   
156  C C    . ILE   A 13  ? 0.224915 0.262894 0.187754  0.00470841  -0.00952261 -0.00508129 25  ILE   B C    
157  O O    . ILE   A 13  ? 0.224816 0.2498   0.248872  0.0151758   -0.0293125  -0.0225828  25  ILE   B O    
158  C CB   . ILE   A 13  ? 0.199015 0.263813 0.164881  0.0222499   -0.00215128 -0.00747012 25  ILE   B CB   
159  C CG1  . ILE   A 13  ? 0.211708 0.268788 0.174288  0.0427161   0.00585986  -0.00240842 25  ILE   B CG1  
160  C CG2  . ILE   A 13  ? 0.213249 0.257443 0.184028  0.0297611   0.00376227  -0.0235349  25  ILE   B CG2  
161  C CD1  . ILE   A 13  ? 0.224294 0.266493 0.187506  0.0275258   -0.017816   -0.0139437  25  ILE   B CD1  
162  H H    . ILE   A 13  ? 0.196373 0.242834 0.159861  -0.00347912 -0.00535315 0.0028013   25  ILE   B H    
163  H HA   . ILE   A 13  ? 0.194266 0.246637 0.165057  0.0046677   -0.00245107 -0.00350081 25  ILE   B HA   
164  H HB   . ILE   A 13  ? 0.199177 0.255871 0.171572  0.0223878   4.975e-05   -0.00900347 25  ILE   B HB   
165  H HG12 . ILE   A 13  ? 0.215142 0.266032 0.176724  0.0341545   -0.00047893 -0.005416   25  ILE   B HG12 
166  H HG13 . ILE   A 13  ? 0.212588 0.266782 0.177874  0.033656    -0.00103879 -0.00473379 25  ILE   B HG13 
167  H HG21 . ILE   A 13  ? 0.210298 0.258103 0.180154  0.0269984   0.00161899  -0.018158   25  ILE   B HG21 
168  H HG22 . ILE   A 13  ? 0.212324 0.25828  0.180083  0.0270309   0.00228007  -0.0180984  25  ILE   B HG22 
169  H HG23 . ILE   A 13  ? 0.210828 0.258678 0.181821  0.0274371   0.00067156  -0.019028   25  ILE   B HG23 
170  H HD11 . ILE   A 13  ? 0.220347 0.265539 0.185882  0.0309003   -0.0107678  -0.0105749  25  ILE   B HD11 
171  H HD12 . ILE   A 13  ? 0.221761 0.266165 0.188801  0.0317293   -0.0121783  -0.0115442  25  ILE   B HD12 
172  H HD13 . ILE   A 13  ? 0.220943 0.264906 0.185421  0.0311179   -0.0107311  -0.0113302  25  ILE   B HD13 
173  N N    . THR   A 14  ? 0.206065 0.237175 0.210586  -0.0282995  -0.00925873 -0.0123125  26  THR   B N    
174  C CA   . THR   A 14  ? 0.229648 0.230283 0.199101  -0.0297497  0.00161007  -0.0188508  26  THR   B CA   
175  C C    . THR   A 14  ? 0.222558 0.234808 0.224576  -0.0335538  0.0142928   -0.00094141 26  THR   B C    
176  O O    . THR   A 14  ? 0.268684 0.297617 0.227158  -0.0406393  0.00104665  0.0173811   26  THR   B O    
177  C CB   . THR   A 14  ? 0.211045 0.20948  0.184324  -0.0241861  -0.002154   0.0055952   26  THR   B CB   
178  O OG1  . THR   A 14  ? 0.2181   0.24362  0.191053  -0.00167667 -0.00676526 0.0279037   26  THR   B OG1  
179  C CG2  . THR   A 14  ? 0.221602 0.233509 0.181995  -0.00767703 0.0128903   0.0156462   26  THR   B CG2  
180  H H    . THR   A 14  ? 0.210588 0.240461 0.201687  -0.0201937  -0.00862123 -0.0114787  26  THR   B H    
181  H HA   . THR   A 14  ? 0.221588 0.229238 0.205789  -0.0287337  0.00256689  -0.0101412  26  THR   B HA   
182  H HB   . THR   A 14  ? 0.21642  0.21916  0.184861  -0.019169   -0.00113364 0.00352113  26  THR   B HB   
183  H HG1  . THR   A 14  ? 0.21936  0.21936  0.21936   0           0           0           26  THR   B HG1  
184  H HG21 . THR   A 14  ? 0.217449 0.225513 0.184492  -0.0114835  0.00875966  0.0124983   26  THR   B HG21 
185  H HG22 . THR   A 14  ? 0.218286 0.227752 0.18646   -0.0110119  0.00922989  0.0145075   26  THR   B HG22 
186  H HG23 . THR   A 14  ? 0.218153 0.225829 0.185021  -0.0120879  0.00870709  0.0124454   26  THR   B HG23 
187  N N    . SER   A 15  ? 0.227454 0.263278 0.246627  -0.0304054  0.0110309   0.0169636   27  SER   B N    
188  C CA   . SER   A 15  ? 0.225119 0.256932 0.257526  -0.0379097  0.0320053   -0.00452893 27  SER   B CA   
189  C C    . SER   A 15  ? 0.223572 0.23169  0.237696  -0.0481953  0.0153564   -0.0116108  27  SER   B C    
190  O O    . SER   A 15  ? 0.289082 0.279399 0.280982  -0.03375    0.0219555   0.0501394   27  SER   B O    
191  C CB   . SER   A 15  ? 0.210964 0.286862 0.306657  -0.0277501  0.00484497  0.0229365   27  SER   B CB   
192  O OG   . SER   A 15  ? 0.240563 0.322839 0.405896  0.00655381  -0.00713303 -0.0145594  27  SER   B OG   
193  H H    . SER   A 15  ? 0.226251 0.253753 0.24128   -0.0316946  0.0153814   0.00781957  27  SER   B H    
194  H HA   . SER   A 15  ? 0.222776 0.256933 0.252904  -0.034819   0.0219444   0.00143822  27  SER   B HA   
195  H HB2  . SER   A 15  ? 0.221974 0.283984 0.311257  -0.0230695  0.00875066  0.00899725  27  SER   B HB2  
196  H HB3  . SER   A 15  ? 0.220808 0.279765 0.309035  -0.0249812  0.0100668   0.0101797   27  SER   B HB3  
197  H HG   . SER   A 15  ? 0.320428 0.320428 0.320428  0           0           0           27  SER   B HG   
198  N N    . LYS   A 16  ? 0.249256 0.245645 0.263137  -0.0326742  0.0368904   0.00372268  28  LYS   B N    
199  C CA   . LYS   A 16  ? 0.253048 0.233614 0.274681  -0.014903   0.00820608  0.0166469   28  LYS   B CA   
200  C C    . LYS   A 16  ? 0.265033 0.239746 0.250966  -0.0132746  0.00618578  0.0461618   28  LYS   B C    
201  O O    . LYS   A 16  ? 0.300967 0.259242 0.331837  0.0160027   0.0188918   0.0447693   28  LYS   B O    
202  C CB   . LYS   A 16  ? 0.316226 0.237235 0.281925  0.0347778   0.0111582   -0.00150722 28  LYS   B CB   
203  C CG   . LYS   A 16  ? 0.340545 0.297812 0.307792  0.0803338   0.00288012  -0.0253983  28  LYS   B CG   
204  C CD   . LYS   A 16  ? 0.404447 0.383793 0.334345  0.0446104   0.0575679   -0.093582   28  LYS   B CD   
205  H H    . LYS   A 16  ? 0.243715 0.240557 0.25936   -0.0308912  0.0241004   0.00189524  28  LYS   B H    
206  H HA   . LYS   A 16  ? 0.262523 0.234982 0.268204  -0.011777   0.014301    0.0170422   28  LYS   B HA   
207  H HB2  . LYS   A 16  ? 0.301964 0.246511 0.284139  0.0292772   0.00925616  -0.0011284  28  LYS   B HB2  
208  H HB3  . LYS   A 16  ? 0.302734 0.248431 0.284552  0.0298222   0.00898609  -0.00143154 28  LYS   B HB3  
209  H HG2  . LYS   A 16  ? 0.34288  0.300512 0.306262  0.0626007   0.0144807   -0.0325661  28  LYS   B HG2  
210  H HG3  . LYS   A 16  ? 0.333851 0.29292  0.305515  0.0665699   0.0137748   -0.0304004  28  LYS   B HG3  
211  H HD2  . LYS   A 16  ? 0.373748 0.373748 0.373748  0           0           0           28  LYS   B HD2  
212  H HD3  . LYS   A 16  ? 0.373748 0.373748 0.373748  0           0           0           28  LYS   B HD3  
213  N N    . LYS   A 17  ? 0.244232 0.229946 0.229807  0.0160356   0.0118813   0.0415511   29  LYS   B N    
214  C CA   . LYS   A 17  ? 0.27143  0.261798 0.210404  -0.0141265  -0.00846397 0.0600101   29  LYS   B CA   
215  C C    . LYS   A 17  ? 0.257265 0.265628 0.236863  -0.0163499  -0.0154289  0.0510382   29  LYS   B C    
216  O O    . LYS   A 17  ? 0.311663 0.294618 0.214273  0.023901    0.00042676  0.0433726   29  LYS   B O    
217  C CB   . LYS   A 17  ? 0.342195 0.300904 0.22168   -0.0145116  0.00901367  0.0841645   29  LYS   B CB   
218  C CG   . LYS   A 17  ? 0.339692 0.375795 0.238839  -0.0417792  0.0463607   0.0710581   29  LYS   B CG   
219  C CD   . LYS   A 17  ? 0.30538  0.39815  0.303761  -0.0380739  0.0648085   0.0439994   29  LYS   B CD   
220  C CE   . LYS   A 17  ? 0.303537 0.505605 0.388824  -0.0444232  0.0414609   0.0104187   29  LYS   B CE   
221  N NZ   . LYS   A 17  ? 0.382895 0.57829  0.46167   -0.00485569 0.0578736   -0.0315502  29  LYS   B NZ   
222  H H    . LYS   A 17  ? 0.248907 0.233544 0.229921  0.00717925  0.00400692  0.0466403   29  LYS   B H    
223  H HA   . LYS   A 17  ? 0.272124 0.262303 0.222416  -0.00824717 -0.00206771 0.0565447   29  LYS   B HA   
224  H HB2  . LYS   A 17  ? 0.320493 0.30252  0.224865  -0.0188051  0.012624    0.0730644   29  LYS   B HB2  
225  H HB3  . LYS   A 17  ? 0.323942 0.303258 0.226286  -0.0178698  0.0151261   0.0738667   29  LYS   B HB3  
226  H HG2  . LYS   A 17  ? 0.333567 0.359303 0.250653  -0.0325758  0.0411462   0.066969    29  LYS   B HG2  
227  H HG3  . LYS   A 17  ? 0.332861 0.357624 0.245551  -0.0336903  0.0413819   0.0695255   29  LYS   B HG3  
228  H HD2  . LYS   A 17  ? 0.31551  0.410236 0.304276  -0.038652   0.0546333   0.0433725   29  LYS   B HD2  
229  H HD3  . LYS   A 17  ? 0.31416  0.407711 0.301567  -0.0384381  0.0534857   0.0441594   29  LYS   B HD3  
230  H HE2  . LYS   A 17  ? 0.321178 0.489298 0.382352  -0.0322163  0.0483456   0.00805552  29  LYS   B HE2  
231  H HE3  . LYS   A 17  ? 0.320941 0.489085 0.37969   -0.032575   0.0497558   0.0121022   29  LYS   B HE3  
232  H HZ1  . LYS   A 17  ? 0.358974 0.556798 0.437016  -0.0147785  0.050438    -0.0121341  29  LYS   B HZ1  
233  H HZ2  . LYS   A 17  ? 0.359294 0.558361 0.446494  -0.0138344  0.0463097   -0.0248841  29  LYS   B HZ2  
234  H HZ3  . LYS   A 17  ? 0.362068 0.553037 0.439513  -0.0178394  0.0475931   -0.0158604  29  LYS   B HZ3  
235  N N    . ASP   A 18  ? 0.21448  0.250477 0.214684  0.0224694   -0.00682375 0.0366695   30  ASP   B N    
236  C CA   . ASP   A 18  ? 0.203666 0.24181  0.213812  0.014271    0.00412963  0.0349643   30  ASP   B CA   
237  C C    . ASP   A 18  ? 0.207097 0.239199 0.209366  0.0194473   -0.00524799 0.0345826   30  ASP   B C    
238  O O    . ASP   A 18  ? 0.230261 0.267542 0.213394  0.0256978   0.00859256  0.0401884   30  ASP   B O    
239  C CB   . ASP   A 18  ? 0.26153  0.226987 0.228983  0.0264467   -0.00266109 0.0321676   30  ASP   B CB   
240  C CG   . ASP   A 18  ? 0.248446 0.219726 0.199878  0.00645844  0.00612356  0.0416991   30  ASP   B CG   
241  O OD1  . ASP   A 18  ? 0.261093 0.212292 0.1979    0.0188929   -0.00179539 0.0231756   30  ASP   B OD1  
242  O OD2  . ASP   A 18  ? 0.306226 0.243162 0.217126  -0.0033253  -0.010008   0.019591    30  ASP   B OD2  
243  H H    . ASP   A 18  ? 0.217443 0.248552 0.21759   0.0146334   -0.00851123 0.0403729   30  ASP   B H    
244  H HA   . ASP   A 18  ? 0.216974 0.240777 0.216177  0.0178212   -0.00062409 0.0334607   30  ASP   B HA   
245  H HB2  . ASP   A 18  ? 0.250974 0.230212 0.220664  0.0176037   -0.00247447 0.0345896   30  ASP   B HB2  
246  H HB3  . ASP   A 18  ? 0.246037 0.232808 0.21927   0.0197757   0.00019103  0.0338763   30  ASP   B HB3  
247  N N    . ARG   A 19  ? 0.220981 0.219368 0.172383  0.0262276   0.00643993  0.0355143   31  ARG   B N    
248  C CA   . ARG   A 19  ? 0.200144 0.239074 0.188025  0.00370357  0.014706    0.0370013   31  ARG   B CA   
249  C C    . ARG   A 19  ? 0.196493 0.240022 0.186088  0.00439601  -0.00315905 0.0148131   31  ARG   B C    
250  O O    . ARG   A 19  ? 0.191525 0.241262 0.204916  -0.00621876 -0.00810025 0.028804    31  ARG   B O    
251  C CB   . ARG   A 19  ? 0.224857 0.238604 0.203963  0.0192982   0.0115813   0.0421403   31  ARG   B CB   
252  C CG   . ARG   A 19  ? 0.223849 0.288935 0.194011  0.0299862   0.00706166  0.0439405   31  ARG   B CG   
253  C CD   . ARG   A 19  ? 0.252034 0.276879 0.186345  0.0319511   -0.0239855  0.0356047   31  ARG   B CD   
254  N NE   . ARG   A 19  ? 0.253361 0.313557 0.241301  0.0387948   -0.0622055  0.0153143   31  ARG   B NE   
255  C CZ   . ARG   A 19  ? 0.252739 0.29437  0.250293  0.0291441   -0.0356249  0.0267576   31  ARG   B CZ   
256  N NH1  . ARG   A 19  ? 0.265683 0.331227 0.228294  0.0676967   -0.0321505  0.010712    31  ARG   B NH1  
257  N NH2  . ARG   A 19  ? 0.266132 0.280875 0.278736  0.0141713   -0.0410644  0.0408999   31  ARG   B NH2  
258  H H    . ARG   A 19  ? 0.21343  0.228146 0.185549  0.0189497   0.00496475  0.0345665   31  ARG   B H    
259  H HA   . ARG   A 19  ? 0.208205 0.235284 0.188173  0.0104976   0.00852999  0.0329539   31  ARG   B HA   
260  H HB2  . ARG   A 19  ? 0.218032 0.247343 0.198634  0.0175089   0.0111259   0.0397611   31  ARG   B HB2  
261  H HB3  . ARG   A 19  ? 0.217696 0.245486 0.198768  0.0161285   0.0107308   0.0400197   31  ARG   B HB3  
262  H HG2  . ARG   A 19  ? 0.231337 0.273912 0.196252  0.0271366   0.00092169  0.040701    31  ARG   B HG2  
263  H HG3  . ARG   A 19  ? 0.231941 0.276583 0.195976  0.0291947   0.00094817  0.0400313   31  ARG   B HG3  
264  H HD2  . ARG   A 19  ? 0.246088 0.28626  0.192367  0.0323008   -0.0227295  0.0333107   31  ARG   B HD2  
265  H HD3  . ARG   A 19  ? 0.245345 0.284563 0.199497  0.0331001   -0.0233752  0.0316895   31  ARG   B HD3  
266  H HE   . ARG   A 19  ? 0.258863 0.298857 0.23707   0.0330766   -0.0502472  0.0232859   31  ARG   B HE   
267  H HH11 . ARG   A 19  ? 0.266547 0.322229 0.23677   0.0582698   -0.0336728  0.0143533   31  ARG   B HH11 
268  H HH12 . ARG   A 19  ? 0.263102 0.318969 0.237841  0.0544687   -0.0325198  0.0160278   31  ARG   B HH12 
269  H HH21 . ARG   A 19  ? 0.264931 0.285793 0.272359  0.0181275   -0.0410607  0.0357442   31  ARG   B HH21 
270  H HH22 . ARG   A 19  ? 0.263091 0.28668  0.270272  0.0188175   -0.038756   0.0356675   31  ARG   B HH22 
271  N N    . GLY   A 20  ? 0.217043 0.204482 0.161787  0.0121355   -0.00601447 0.00070929  32  GLY   B N    
272  C CA   . GLY   A 20  ? 0.222788 0.200683 0.150295  0.0212003   0.0130809   0.00617934  32  GLY   B CA   
273  C C    . GLY   A 20  ? 0.234497 0.175965 0.155934  0.00300047  0.00991299  -0.00288941 32  GLY   B C    
274  O O    . GLY   A 20  ? 0.234426 0.194816 0.151764  0.0108174   0.00034472  0.00910276  32  GLY   B O    
275  H H    . GLY   A 20  ? 0.21382  0.211752 0.165834  0.0126839   -0.00094725 0.00543448  32  GLY   B H    
276  H HA2  . GLY   A 20  ? 0.220955 0.198011 0.156258  0.0155189   0.00874838  0.00365292  32  GLY   B HA2  
277  H HA3  . GLY   A 20  ? 0.224317 0.197984 0.157191  0.0163024   0.00927086  0.00453948  32  GLY   B HA3  
278  N N    . VAL   A 21  ? 0.225436 0.188694 0.157965  -0.00334693 0.00897424  0.00514646  33  VAL   B N    
279  C CA   . VAL   A 21  ? 0.208735 0.198368 0.137551  -0.00141736 0.015231    0.00700647  33  VAL   B CA   
280  C C    . VAL   A 21  ? 0.19935  0.209962 0.157308  0.00417162  -0.0155035  0.0146914   33  VAL   B C    
281  O O    . VAL   A 21  ? 0.235562 0.216746 0.14598   -0.0145609  -0.00584205 0.0206457   33  VAL   B O    
282  C CB   . VAL   A 21  ? 0.21311  0.220528 0.137509  0.016317    0.0126144   -0.00244279 33  VAL   B CB   
283  C CG1  . VAL   A 21  ? 0.214726 0.24481  0.146408  0.0181699   -0.00056719 -0.0268938  33  VAL   B CG1  
284  C CG2  . VAL   A 21  ? 0.217134 0.230605 0.138702  0.0190958   0.00255463  -0.012943   33  VAL   B CG2  
285  H H    . VAL   A 21  ? 0.222494 0.189411 0.154805  -0.0010106  0.0100023   0.0036611   33  VAL   B H    
286  H HA   . VAL   A 21  ? 0.208125 0.199288 0.144101  -0.00013573 0.00983893  0.00840311  33  VAL   B HA   
287  H HB   . VAL   A 21  ? 0.211863 0.220764 0.140085  0.0122848   0.00960715  -0.00536176 33  VAL   B HB   
288  H HG11 . VAL   A 21  ? 0.215906 0.23841  0.147036  0.0192147   0.00153052  -0.020461   33  VAL   B HG11 
289  H HG12 . VAL   A 21  ? 0.214211 0.236616 0.144742  0.0176168   0.00287064  -0.0195819  33  VAL   B HG12 
290  H HG13 . VAL   A 21  ? 0.213538 0.236933 0.145712  0.0177183   0.00265154  -0.0191153  33  VAL   B HG13 
291  H HG21 . VAL   A 21  ? 0.215398 0.227261 0.14085   0.0179579   0.00510183  -0.00952549 33  VAL   B HG21 
292  H HG22 . VAL   A 21  ? 0.215912 0.227939 0.141004  0.0175049   0.00521989  -0.00945758 33  VAL   B HG22 
293  H HG23 . VAL   A 21  ? 0.216644 0.227823 0.141934  0.018637    0.00423493  -0.0102638  33  VAL   B HG23 
294  N N    . LEU   A 22  ? 0.219309 0.221505 0.120187  -0.00560731 0.00668503  -0.0048915  34  LEU   B N    
295  C CA   . LEU   A 22  ? 0.20869  0.233329 0.124937  0.00347508  0.0109157   -0.0135543  34  LEU   B CA   
296  C C    . LEU   A 22  ? 0.218864 0.20968  0.117898  0.00642249  -0.00635166 0.00660961  34  LEU   B C    
297  O O    . LEU   A 22  ? 0.225338 0.223117 0.13084   0.00758273  0.00932285  0.0182694   34  LEU   B O    
298  C CB   . LEU   A 22  ? 0.205758 0.263421 0.131781  0.00545127  0.0109813   0.00396191  34  LEU   B CB   
299  C CG   . LEU   A 22  ? 0.204984 0.248274 0.1608    0.00524331  0.0155635   -0.00411708 34  LEU   B CG   
300  C CD1  . LEU   A 22  ? 0.213047 0.289941 0.198083  0.00861967  0.00921357  0.0209449   34  LEU   B CD1  
301  C CD2  . LEU   A 22  ? 0.230364 0.276531 0.20854   -0.00752538 0.00442618  0.0166803   34  LEU   B CD2  
302  H H    . LEU   A 22  ? 0.210523 0.219477 0.129686  -0.00208468 0.00442628  -0.00023078 34  LEU   B H    
303  H HA   . LEU   A 22  ? 0.212799 0.230696 0.127242  0.00343343  0.00565193  -0.0049317  34  LEU   B HA   
304  H HB2  . LEU   A 22  ? 0.206354 0.250942 0.138729  0.00439233  0.0120999   -0.00094552 34  LEU   B HB2  
305  H HB3  . LEU   A 22  ? 0.206453 0.250932 0.139316  0.00488788  0.0118147   -0.00142384 34  LEU   B HB3  
306  H HG   . LEU   A 22  ? 0.209971 0.258767 0.162908  0.00267658  0.00961051  0.00175692  34  LEU   B HG   
307  H HD11 . LEU   A 22  ? 0.211653 0.276644 0.190615  0.00765832  0.0104708   0.0118329   34  LEU   B HD11 
308  H HD12 . LEU   A 22  ? 0.212313 0.279437 0.188764  0.0054484   0.0111665   0.0131728   34  LEU   B HD12 
309  H HD13 . LEU   A 22  ? 0.211911 0.277894 0.193967  0.00821436  0.0127977   0.0162661   34  LEU   B HD13 
310  H HD21 . LEU   A 22  ? 0.226253 0.267419 0.194718  -0.00311611 0.00840804  0.010699    34  LEU   B HD21 
311  H HD22 . LEU   A 22  ? 0.223796 0.26898  0.200929  -0.00284497 0.00971653  0.0134427   34  LEU   B HD22 
312  H HD23 . LEU   A 22  ? 0.224702 0.271694 0.195131  -0.00583935 0.00810048  0.0109349   34  LEU   B HD23 
313  N N    . LYS   A 23  ? 0.209957 0.218868 0.116166  0.0102593   -0.00256296 0.0107107   35  LYS   B N    
314  C CA   . LYS   A 23  ? 0.200675 0.213178 0.134087  0.00733093  0.0113576   0.00638145  35  LYS   B CA   
315  C C    . LYS   A 23  ? 0.211252 0.231855 0.142505  -0.00049092 0.0133355   -0.0103721  35  LYS   B C    
316  O O    . LYS   A 23  ? 0.224848 0.233677 0.147125  -0.00452765 0.00792047  -0.00370891 35  LYS   B O    
317  C CB   . LYS   A 23  ? 0.179176 0.258156 0.140549  0.0118992   0.00759156  -0.0059032  35  LYS   B CB   
318  C CG   . LYS   A 23  ? 0.202833 0.240648 0.137875  0.00717233  0.0234586   -0.025863   35  LYS   B CG   
319  C CD   . LYS   A 23  ? 0.195083 0.233652 0.153057  0.0176327   0.0126949   -0.0261016  35  LYS   B CD   
320  C CE   . LYS   A 23  ? 0.220004 0.240558 0.169958  0.0121681   0.0141054   -0.0342786  35  LYS   B CE   
321  N NZ   . LYS   A 23  ? 0.220885 0.265827 0.19515   0.0136089   0.0229063   -0.0471972  35  LYS   B NZ   
322  H H    . LYS   A 23  ? 0.209624 0.21377  0.12133   0.00854552  -1.97e-06   0.00978357  35  LYS   B H    
323  H HA   . LYS   A 23  ? 0.200578 0.222228 0.131433  0.00638934  0.00918232  0.00461248  35  LYS   B HA   
324  H HB2  . LYS   A 23  ? 0.190133 0.24289  0.142497  0.010011    0.0121764   -0.00665883 35  LYS   B HB2  
325  H HB3  . LYS   A 23  ? 0.190202 0.243534 0.143023  0.0102312   0.0113758   -0.00854996 35  LYS   B HB3  
326  H HG2  . LYS   A 23  ? 0.195678 0.240532 0.141712  0.0098511   0.0160972   -0.0218835  35  LYS   B HG2  
327  H HG3  . LYS   A 23  ? 0.195786 0.241199 0.143072  0.0102992   0.0169864   -0.0202087  35  LYS   B HG3  
328  H HD2  . LYS   A 23  ? 0.201904 0.235253 0.154323  0.0136238   0.0149333   -0.0270514  35  LYS   B HD2  
329  H HD3  . LYS   A 23  ? 0.201942 0.235263 0.154267  0.0136647   0.0151911   -0.0265186  35  LYS   B HD3  
330  H HE2  . LYS   A 23  ? 0.21384  0.242914 0.171683  0.01311     0.0148405   -0.0342796  35  LYS   B HE2  
331  H HE3  . LYS   A 23  ? 0.213868 0.242884 0.171453  0.0134323   0.0151772   -0.0334131  35  LYS   B HE3  
332  H HZ1  . LYS   A 23  ? 0.221209 0.25831  0.193717  0.0126608   0.0196627   -0.0434374  35  LYS   B HZ1  
333  H HZ2  . LYS   A 23  ? 0.221652 0.25837  0.190433  0.0131359   0.0202484   -0.0407876  35  LYS   B HZ2  
334  H HZ3  . LYS   A 23  ? 0.221892 0.259413 0.189611  0.0117989   0.0195486   -0.0417432  35  LYS   B HZ3  
335  N N    . ILE   A 24  ? 0.204852 0.236689 0.125088  0.00094036  0.0107343   -0.0289263  36  ILE   B N    
336  C CA   . ILE   A 24  ? 0.241463 0.250995 0.114463  0.00711066  0.0118245   -0.0337179  36  ILE   B CA   
337  C C    . ILE   A 24  ? 0.236676 0.232173 0.149656  0.0111507   0.00809102  -0.0250026  36  ILE   B C    
338  O O    . ILE   A 24  ? 0.27584  0.239262 0.165718  0.0345405   0.0116127   -0.0251696  36  ILE   B O    
339  C CB   . ILE   A 24  ? 0.261385 0.257507 0.183114  -0.00715964 -0.0189136  -0.0439913  36  ILE   B CB   
340  C CG1  . ILE   A 24  ? 0.24802  0.278241 0.181273  0.00183976  -0.0227832  -0.0407379  36  ILE   B CG1  
341  C CG2  . ILE   A 24  ? 0.296906 0.276843 0.259429  0.00637325  -0.0323774  -0.0762774  36  ILE   B CG2  
342  C CD1  . ILE   A 24  ? 0.258473 0.288003 0.196942  0.00167998  -0.0354041  -0.0412862  36  ILE   B CD1  
343  H H    . ILE   A 24  ? 0.213438 0.237103 0.129757  0.00224152  0.0113991   -0.0241067  36  ILE   B H    
344  H HA   . ILE   A 24  ? 0.234953 0.242719 0.133226  0.00341026  0.00763814  -0.0283982  36  ILE   B HA   
345  H HB   . ILE   A 24  ? 0.25933  0.261937 0.180731  -0.00035041 -0.0143991  -0.0443725  36  ILE   B HB   
346  H HG12 . ILE   A 24  ? 0.252808 0.273745 0.185758  -0.00050629 -0.0234682  -0.0394963  36  ILE   B HG12 
347  H HG13 . ILE   A 24  ? 0.252718 0.273479 0.185736  -0.00028842 -0.0235042  -0.0404508  36  ILE   B HG13 
348  H HG21 . ILE   A 24  ? 0.290082 0.272971 0.236592  0.00433982  -0.0266433  -0.0641668  36  ILE   B HG21 
349  H HG22 . ILE   A 24  ? 0.287626 0.274859 0.244531  0.00433702  -0.0303361  -0.0694317  36  ILE   B HG22 
350  H HG23 . ILE   A 24  ? 0.287811 0.273463 0.236246  0.00124199  -0.0266993  -0.0649756  36  ILE   B HG23 
351  H HD11 . ILE   A 24  ? 0.255438 0.285046 0.196306  0.00180435  -0.0311049  -0.0407419  36  ILE   B HD11 
352  H HD12 . ILE   A 24  ? 0.255581 0.28484  0.194611  0.00070359  -0.0305017  -0.0396956  36  ILE   B HD12 
353  H HD13 . ILE   A 24  ? 0.255662 0.284586 0.196458  0.00154823  -0.0306923  -0.0394583  36  ILE   B HD13 
354  N N    . VAL   A 25  ? 0.26675  0.2503   0.173879  0.0121924   0.0267281   -0.0250443  37  VAL   B N    
355  C CA   . VAL   A 25  ? 0.28433  0.268331 0.168935  0.0379342   0.0103657   -0.0275227  37  VAL   B CA   
356  C C    . VAL   A 25  ? 0.294164 0.265487 0.184442  0.0269704   -0.0151716  -0.0442201  37  VAL   B C    
357  O O    . VAL   A 25  ? 0.332618 0.282171 0.206509  0.0303806   -0.0205733  -0.0542175  37  VAL   B O    
358  C CB   . VAL   A 25  ? 0.288388 0.2896   0.158333  0.0366892   -0.00104357 -0.0277875  37  VAL   B CB   
359  C CG1  . VAL   A 25  ? 0.284118 0.325545 0.218524  0.0614188   0.00810244  -0.0301615  37  VAL   B CG1  
360  C CG2  . VAL   A 25  ? 0.252673 0.319746 0.177162  0.0252364   0.0160719   -0.0207245  37  VAL   B CG2  
361  H H    . VAL   A 25  ? 0.260697 0.249583 0.168749  0.0170722   0.0176685   -0.0257848  37  VAL   B H    
362  H HA   . VAL   A 25  ? 0.282001 0.266841 0.172289  0.0296575   0.00643039  -0.0289041  37  VAL   B HA   
363  H HB   . VAL   A 25  ? 0.278243 0.294855 0.166591  0.0389206   0.00226642  -0.0236062  37  VAL   B HB   
364  H HG11 . VAL   A 25  ? 0.287246 0.314001 0.210843  0.052116    0.00812794  -0.0304797  37  VAL   B HG11 
365  H HG12 . VAL   A 25  ? 0.288361 0.316466 0.204345  0.0550135   0.00731     -0.0264937  37  VAL   B HG12 
366  H HG13 . VAL   A 25  ? 0.28797  0.313431 0.204016  0.0530464   0.00508297  -0.0286181  37  VAL   B HG13 
367  H HG21 . VAL   A 25  ? 0.259442 0.309294 0.173068  0.0269828   0.0144539   -0.0214043  37  VAL   B HG21 
368  H HG22 . VAL   A 25  ? 0.26357  0.310841 0.174869  0.0260872   0.0120349   -0.0218339  37  VAL   B HG22 
369  H HG23 . VAL   A 25  ? 0.262582 0.308956 0.177649  0.0272602   0.0126368   -0.0221862  37  VAL   B HG23 
370  N N    . LYS   A 26  ? 0.302335 0.274353 0.192412  0.00659528  -0.00388938 -0.0647774  38  LYS   B N    
371  C CA   . LYS   A 26  ? 0.326422 0.284939 0.168504  0.00964583  -0.0223319  -0.0355441  38  LYS   B CA   
372  C C    . LYS   A 26  ? 0.348504 0.284604 0.244161  0.00884773  -0.0216062  -0.0844167  38  LYS   B C    
373  O O    . LYS   A 26  ? 0.415278 0.30493  0.261076  0.0159239   -0.0452984  -0.097785   38  LYS   B O    
374  C CB   . LYS   A 26  ? 0.366788 0.295257 0.176057  -0.0135367  -0.0119602  -0.0509831  38  LYS   B CB   
375  C CG   . LYS   A 26  ? 0.397048 0.316594 0.247504  -0.00802623 0.00103434  -0.0381011  38  LYS   B CG   
376  C CD   . LYS   A 26  ? 0.354081 0.407975 0.336032  0.0154068   0.0019672   -0.0402174  38  LYS   B CD   
377  C CE   . LYS   A 26  ? 0.447019 0.508967 0.310366  -0.0441527  -0.143114   -0.104874   38  LYS   B CE   
378  N NZ   . LYS   A 26  ? 0.502841 0.566009 0.347196  -0.00282122 -0.113947   -0.0624371  38  LYS   B NZ   
379  H H    . LYS   A 26  ? 0.305709 0.274272 0.192244  0.0128592   -0.00760156 -0.0511516  38  LYS   B H    
380  H HA   . LYS   A 26  ? 0.324027 0.28436  0.183618  0.00759622  -0.0233159  -0.0481916  38  LYS   B HA   
381  H HB2  . LYS   A 26  ? 0.359359 0.295718 0.190434  -0.00639277 -0.0115263  -0.0426683  38  LYS   B HB2  
382  H HB3  . LYS   A 26  ? 0.35891  0.292744 0.190927  -0.00844488 -0.0119084  -0.0438569  38  LYS   B HB3  
383  H HG2  . LYS   A 26  ? 0.378337 0.325641 0.243984  -0.00466257 -0.00198488 -0.0404915  38  LYS   B HG2  
384  H HG3  . LYS   A 26  ? 0.379124 0.327374 0.244545  -0.00499915 -0.00236711 -0.0402895  38  LYS   B HG3  
385  H HD2  . LYS   A 26  ? 0.384527 0.402338 0.303559  -0.0023291  -0.0253038  -0.0508119  38  LYS   B HD2  
386  H HD3  . LYS   A 26  ? 0.384911 0.39956  0.306549  0.00022054  -0.0254045  -0.0535939  38  LYS   B HD3  
387  H HE2  . LYS   A 26  ? 0.437444 0.492917 0.339191  -0.0179705  -0.0993608  -0.0780956  38  LYS   B HE2  
388  H HE3  . LYS   A 26  ? 0.437204 0.499771 0.328805  -0.0236804  -0.0966213  -0.0718199  38  LYS   B HE3  
389  H HZ1  . LYS   A 26  ? 0.48594  0.549971 0.339881  -0.0161637  -0.120128   -0.0715289  38  LYS   B HZ1  
390  H HZ2  . LYS   A 26  ? 0.484942 0.546533 0.341291  -0.013986   -0.119637   -0.0733308  38  LYS   B HZ2  
391  H HZ3  . LYS   A 26  ? 0.490647 0.554541 0.339191  -0.00700837 -0.118734   -0.07245    38  LYS   B HZ3  
392  N N    . ARG   A 27  ? 0.343158 0.280041 0.203602  0.0595657   -0.00581511 -0.0776735  39  ARG   B N    
393  C CA   . ARG   A 27  ? 0.367582 0.28768  0.223133  0.0755049   -0.00795666 -0.0936332  39  ARG   B CA   
394  C C    . ARG   A 27  ? 0.358353 0.34083  0.239292  0.0576596   0.0148588   -0.0967502  39  ARG   B C    
395  O O    . ARG   A 27  ? 0.360536 0.323335 0.242864  0.0678665   -0.0120464  -0.106358   39  ARG   B O    
396  C CB   . ARG   A 27  ? 0.362659 0.300054 0.300941  0.0780203   0.00159186  -0.100604   39  ARG   B CB   
397  C CG   . ARG   A 27  ? 0.425945 0.311348 0.317009  0.106392    0.0181065   -0.110614   39  ARG   B CG   
398  C CD   . ARG   A 27  ? 0.466731 0.343881 0.285791  0.108232    -0.0233464  -0.108136   39  ARG   B CD   
399  N NE   . ARG   A 27  ? 0.427222 0.319387 0.275309  0.10218     -0.0462669  -0.0752698  39  ARG   B NE   
400  C CZ   . ARG   A 27  ? 0.441021 0.30673  0.351128  0.0923811   0.0230807   -0.0398667  39  ARG   B CZ   
401  N NH1  . ARG   A 27  ? 0.419444 0.275528 0.361359  0.0952612   0.0166976   -0.0125626  39  ARG   B NH1  
402  N NH2  . ARG   A 27  ? 0.517496 0.271264 0.326113  0.117522    -0.060222   -0.0230659  39  ARG   B NH2  
403  H H    . ARG   A 27  ? 0.346689 0.282019 0.217871  0.0488002   -0.00977526 -0.0802588  39  ARG   B H    
404  H HA   . ARG   A 27  ? 0.358266 0.297119 0.227799  0.0662851   -0.004339   -0.0917686  39  ARG   B HA   
405  H HB2  . ARG   A 27  ? 0.369283 0.298554 0.285478  0.0786663   0.00373202  -0.0973152  39  ARG   B HB2  
406  H HB3  . ARG   A 27  ? 0.374231 0.299776 0.28992   0.0810731   0.00466332  -0.0963104  39  ARG   B HB3  
407  H HG2  . ARG   A 27  ? 0.418241 0.317466 0.308871  0.0980867   0.00530245  -0.103612   39  ARG   B HG2  
408  H HG3  . ARG   A 27  ? 0.418115 0.317604 0.315627  0.098441    0.00852701  -0.101408   39  ARG   B HG3  
409  H HD2  . ARG   A 27  ? 0.446814 0.332453 0.293656  0.103422    -0.0189911  -0.0962579  39  ARG   B HD2  
410  H HD3  . ARG   A 27  ? 0.451719 0.331941 0.294273  0.10566     -0.0206954  -0.0969512  39  ARG   B HD3  
411  H HE   . ARG   A 27  ? 0.43536  0.321187 0.295973  0.0978007   -0.0230557  -0.0716044  39  ARG   B HE   
412  H HH11 . ARG   A 27  ? 0.42221  0.283821 0.355365  0.0895885   0.0175389   -0.0201925  39  ARG   B HH11 
413  H HH12 . ARG   A 27  ? 0.424177 0.283791 0.353513  0.0919375   0.0164622   -0.017146   39  ARG   B HH12 
414  H HH21 . ARG   A 27  ? 0.486468 0.285261 0.328084  0.105459    -0.0362829  -0.0291738  39  ARG   B HH21 
415  H HH22 . ARG   A 27  ? 0.489001 0.282605 0.327079  0.106821    -0.0333364  -0.022495   39  ARG   B HH22 
416  N N    . VAL   A 28  ? 0.423581 0.366858 0.211847  0.0717189   0.0170183   -0.0939562  40  VAL   B N    
417  C CA   . VAL   A 28  ? 0.428244 0.376775 0.221484  0.0505996   0.0344885   -0.101067   40  VAL   B CA   
418  C C    . VAL   A 28  ? 0.432277 0.35349  0.292349  0.101693    0.0444557   -0.06681    40  VAL   B C    
419  O O    . VAL   A 28  ? 0.452603 0.418613 0.343181  0.0845238   0.0733516   -0.0650642  40  VAL   B O    
420  C CB   . VAL   A 28  ? 0.442124 0.418264 0.233408  0.0600142   0.0659655   -0.0775506  40  VAL   B CB   
421  C CG1  . VAL   A 28  ? 0.473392 0.477866 0.243412  0.0689188   0.112473    -0.059905   40  VAL   B CG1  
422  C CG2  . VAL   A 28  ? 0.487792 0.466825 0.247006  0.0448834   0.0826786   -0.0509317  40  VAL   B CG2  
423  H H    . VAL   A 28  ? 0.404925 0.360863 0.224727  0.0619404   0.0197192   -0.0930335  40  VAL   B H    
424  H HA   . VAL   A 28  ? 0.427159 0.371604 0.235567  0.0658275   0.0371622   -0.088411   40  VAL   B HA   
425  H HB   . VAL   A 28  ? 0.448794 0.419328 0.238021  0.0556543   0.0687417   -0.0736023  40  VAL   B HB   
426  H HG11 . VAL   A 28  ? 0.462577 0.465869 0.248312  0.0659313   0.0971067   -0.0573316  40  VAL   B HG11 
427  H HG12 . VAL   A 28  ? 0.464495 0.462031 0.24715   0.0618859   0.0968872   -0.0626479  40  VAL   B HG12 
428  H HG13 . VAL   A 28  ? 0.462265 0.459049 0.244524  0.0643748   0.0964501   -0.0609292  40  VAL   B HG13 
429  H HG21 . VAL   A 28  ? 0.471592 0.451697 0.247415  0.0491212   0.0762887   -0.0552065  40  VAL   B HG21 
430  H HG22 . VAL   A 28  ? 0.474131 0.45174  0.247938  0.0503622   0.0751136   -0.0557437  40  VAL   B HG22 
431  H HG23 . VAL   A 28  ? 0.47179  0.458228 0.249682  0.0493445   0.0758566   -0.051916   40  VAL   B HG23 
432  N N    . GLY   A 29  ? 0.444576 0.427357 0.231105  0.160353    0.0220035   -0.086429   41  GLY   B N    
433  C CA   . GLY   A 29  ? 0.402391 0.492818 0.257033  0.162099    -0.00907835 -0.0758732  41  GLY   B CA   
434  C C    . GLY   A 29  ? 0.413025 0.56438  0.331277  0.144531    0.0239688   -0.0861952  41  GLY   B C    
435  O O    . GLY   A 29  ? 0.37078  0.588666 0.307682  0.111777    0.0124441   -0.0712169  41  GLY   B O    
436  H H    . GLY   A 29  ? 0.430792 0.420105 0.255187  0.141087    0.0205876   -0.0768221  41  GLY   B H    
437  H HA2  . GLY   A 29  ? 0.414795 0.485723 0.268181  0.15327     0.00591117  -0.0780186  41  GLY   B HA2  
438  H HA3  . GLY   A 29  ? 0.414154 0.484859 0.266306  0.153283    0.0051884   -0.0788937  41  GLY   B HA3  
439  N N    . ASN   A 30  ? 0.355229 0.572569 0.369574  0.0994763   0.110867    -0.130376   42  ASN   B N    
440  C CA   . ASN   A 30  ? 0.273892 0.502689 0.56184   0.0275486   0.096009    -0.15825    42  ASN   B CA   
441  C C    . ASN   A 30  ? 0.227456 0.608286 0.627827  -0.0398817  0.152119    -0.145488   42  ASN   B C    
442  O O    . ASN   A 30  ? 0.448142 0.543781 0.692352  0.013368    0.0758567   -0.212228   42  ASN   B O    
443  C CB   . ASN   A 30  ? 0.459433 0.357681 0.664636  0.0110033   0.0139984   -0.214366   42  ASN   B CB   
444  H H    . ASN   A 30  ? 0.351994 0.550909 0.387029  0.09221     0.0835634   -0.120439   42  ASN   B H    
445  H HA   . ASN   A 30  ? 0.321924 0.505558 0.551642  0.0289295   0.0919869   -0.154203   42  ASN   B HA   
446  H HB2  . ASN   A 30  ? 0.487482 0.487482 0.487482  0           0           0           42  ASN   B HB2  
447  H HB3  . ASN   A 30  ? 0.487482 0.487482 0.487482  0           0           0           42  ASN   B HB3  
448  N N    . GLY   A 31  ? 0.344072 0.52992  0.582365  -0.081003   0.141672    -0.12805    43  GLY   B N    
449  C CA   . GLY   A 31  ? 0.293006 0.53801  0.530039  -0.0482961  0.108094    -0.123332   43  GLY   B CA   
450  C C    . GLY   A 31  ? 0.377401 0.592239 0.579129  -0.0814003  0.127717    -0.0391885  43  GLY   B C    
451  O O    . GLY   A 31  ? 0.503025 0.70324  0.540113  0.038722    0.15552     0.0516222   43  GLY   B O    
452  H H    . GLY   A 31  ? 0.311844 0.547099 0.57844   -0.059965   0.132575    -0.126716   43  GLY   B H    
453  H HA2  . GLY   A 31  ? 0.309775 0.542349 0.543747  -0.054255   0.125424    -0.10576    43  GLY   B HA2  
454  H HA3  . GLY   A 31  ? 0.322394 0.543817 0.54054   -0.0583557  0.117952    -0.103229   43  GLY   B HA3  
455  N N    . GLU   A 32  ? 0.422658 0.54607  0.592082  -0.0647828  0.172751    -0.0826849  44  GLU   B N    
456  C CA   . GLU   A 32  ? 0.433734 0.526285 0.612233  -0.0386817  0.134014    -0.0645641  44  GLU   B CA   
457  C C    . GLU   A 32  ? 0.483231 0.487197 0.592687  0.0185145   0.14325     -0.0490474  44  GLU   B C    
458  O O    . GLU   A 32  ? 0.49263  0.473266 0.604552  -0.00509996 0.0638109   -0.0317751  44  GLU   B O    
459  C CB   . GLU   A 32  ? 0.449124 0.468082 0.522256  0.0305173   0.237668    -0.0676738  44  GLU   B CB   
460  H H    . GLU   A 32  ? 0.421382 0.553495 0.590223  -0.0623834  0.149161    -0.06681    44  GLU   B H    
461  H HA   . GLU   A 32  ? 0.441857 0.515211 0.583675  -0.0181167  0.154654    -0.0619668  44  GLU   B HA   
462  H HB2  . GLU   A 32  ? 0.525857 0.525857 0.525857  0           0           0           44  GLU   B HB2  
463  H HB3  . GLU   A 32  ? 0.525857 0.525857 0.525857  0           0           0           44  GLU   B HB3  
464  N N    . GLU   A 33  ? 0.442332 0.479126 0.516554  0.0342687   0.136885    -0.0559489  45  GLU   B N    
465  C CA   . GLU   A 33  ? 0.342488 0.553715 0.516518  0.0235157   0.0779728   -0.0185984  45  GLU   B CA   
466  C C    . GLU   A 33  ? 0.351977 0.5932   0.456469  0.0651053   0.118725    -0.075431   45  GLU   B C    
467  O O    . GLU   A 33  ? 0.288961 0.685971 0.293628  0.0417585   0.0311469   -0.142641   45  GLU   B O    
468  C CB   . GLU   A 33  ? 0.418771 0.652407 0.526448  0.0373178   0.0522745   0.017072    45  GLU   B CB   
469  H H    . GLU   A 33  ? 0.427285 0.485782 0.531891  0.0293447   0.121462    -0.0452912  45  GLU   B H    
470  H HA   . GLU   A 33  ? 0.378871 0.551113 0.506484  0.0325779   0.0916969   -0.0284095  45  GLU   B HA   
471  H HB2  . GLU   A 33  ? 0.535862 0.535862 0.535862  0           0           0           45  GLU   B HB2  
472  H HB3  . GLU   A 33  ? 0.535862 0.535862 0.535862  0           0           0           45  GLU   B HB3  
473  N N    . THR   A 34  ? 0.369497 0.61751  0.527807  0.0727882   0.176043    0.0107232   46  THR   B N    
474  C CA   . THR   A 34  ? 0.25365  0.608561 0.389258  0.0296451   0.0932697   -0.0362302  46  THR   B CA   
475  C C    . THR   A 34  ? 0.184731 0.65686  0.437866  0.0260287   0.0275186   0.0285356   46  THR   B C    
476  O O    . THR   A 34  ? 0.290556 0.783999 0.773742  -0.00955427 -0.111903   0.0726751   46  THR   B O    
477  C CB   . THR   A 34  ? 0.269104 0.486041 0.281127  -0.00055248 0.0590087   -0.049092   46  THR   B CB   
478  O OG1  . THR   A 34  ? 0.281492 0.520186 0.395213  -0.050814   0.054256    -0.114533   46  THR   B OG1  
479  C CG2  . THR   A 34  ? 0.29664  0.490409 0.26498   -0.00930669 0.0191047   0.00591016  46  THR   B CG2  
480  H H    . THR   A 34  ? 0.337913 0.610036 0.471031  0.0610166   0.136251    -0.0217083  46  THR   B H    
481  H HA   . THR   A 34  ? 0.266613 0.587294 0.386121  0.0316246   0.0844218   -0.0201667  46  THR   B HA   
482  H HB   . THR   A 34  ? 0.267259 0.506112 0.307209  -0.00488037 0.0634713   -0.0462666  46  THR   B HB   
483  H HG1  . THR   A 34  ? 0.393759 0.393759 0.393759  0           0           0           46  THR   B HG1  
484  H HG21 . THR   A 34  ? 0.292215 0.484972 0.274884  -0.00551916 0.0301789   -0.00935393 46  THR   B HG21 
485  H HG22 . THR   A 34  ? 0.295631 0.485182 0.278885  -0.00578801 0.026916    -0.00923126 46  THR   B HG22 
486  H HG23 . THR   A 34  ? 0.291768 0.484077 0.274841  -0.005524   0.0301638   -0.00971702 46  THR   B HG23 
487  N N    . PRO   A 35  ? 0.250562 0.644172 0.387211  -0.0801648  -0.0569036  0.00464287  47  PRO   B N    
488  C CA   . PRO   A 35  ? 0.407004 0.637516 0.422424  -0.0633701  -0.11586    -0.0498116  47  PRO   B CA   
489  C C    . PRO   A 35  ? 0.519533 0.659152 0.564043  -0.146643   -0.126749   0.0639534   47  PRO   B C    
490  O O    . PRO   A 35  ? 0.546496 0.689625 0.464849  -0.207949   -0.210901   -0.0081916  47  PRO   B O    
491  C CB   . PRO   A 35  ? 0.413692 0.632219 0.39726   -0.0828276  -0.107917   -0.0632311  47  PRO   B CB   
492  C CG   . PRO   A 35  ? 0.24673  0.566454 0.309522  0.00358973  -0.0746738  -0.0872029  47  PRO   B CG   
493  C CD   . PRO   A 35  ? 0.233733 0.606144 0.318302  -0.00649785 -0.00693128 -0.0878559  47  PRO   B CD   
494  H HA   . PRO   A 35  ? 0.39238  0.637055 0.432264  -0.0794484  -0.0991206  -0.0196929  47  PRO   B HA   
495  H HB2  . PRO   A 35  ? 0.377756 0.623804 0.388746  -0.0634556  -0.101065   -0.0561099  47  PRO   B HB2  
496  H HB3  . PRO   A 35  ? 0.373581 0.617044 0.391342  -0.0579081  -0.0919201  -0.0681127  47  PRO   B HB3  
497  H HG2  . PRO   A 35  ? 0.264865 0.580156 0.328996  -0.0116718  -0.0569725  -0.0787219  47  PRO   B HG2  
498  H HG3  . PRO   A 35  ? 0.274755 0.570871 0.330035  -0.007268   -0.0611061  -0.0775554  47  PRO   B HG3  
499  H HD2  . PRO   A 35  ? 0.24802  0.596655 0.332626  -0.0173706  -0.0292976  -0.0651459  47  PRO   B HD2  
500  H HD3  . PRO   A 35  ? 0.247225 0.587443 0.328395  -0.0158482  -0.0280673  -0.0703429  47  PRO   B HD3  
501  N N    . MET   A 36  ? 0.669402 0.580038 0.475623  -0.161874   -0.118005   0.135476    48  MET   B N    
502  C CA   . MET   A 36  ? 0.618452 0.583232 0.514854  -0.199091   -0.126084   0.156977    48  MET   B CA   
503  C C    . MET   A 36  ? 0.456876 0.476978 0.472723  -0.213707   -0.217102   0.268039    48  MET   B C    
504  O O    . MET   A 36  ? 0.470028 0.685257 0.53071   -0.137422   -0.173307   0.348028    48  MET   B O    
505  C CB   . MET   A 36  ? 0.641431 0.474915 0.446455  -0.236224   -0.152713   0.192107    48  MET   B CB   
506  C CG   . MET   A 36  ? 0.643403 0.607188 0.417011  -0.319732   -0.117863   0.171661    48  MET   B CG   
507  S SD   . MET   A 36  ? 0.548989 0.92448  0.456313  -0.231875   0.00534222  0.20156     48  MET   B SD   
508  C CE   . MET   A 36  ? 0.422317 0.41717  0.589685  -0.238452   0.0256742   0.0119728   48  MET   B CE   
509  H H    . MET   A 36  ? 0.611802 0.597285 0.503567  -0.157956   -0.119594   0.119776    48  MET   B H    
510  H HA   . MET   A 36  ? 0.607733 0.54618  0.489627  -0.206361   -0.138497   0.171987    48  MET   B HA   
511  H HB2  . MET   A 36  ? 0.623208 0.519123 0.452757  -0.233044   -0.139648   0.177513    48  MET   B HB2  
512  H HB3  . MET   A 36  ? 0.62838  0.50497  0.453702  -0.238566   -0.137196   0.17012     48  MET   B HB3  
513  H HG2  . MET   A 36  ? 0.628731 0.611391 0.438937  -0.280799   -0.0978337  0.167667    48  MET   B HG2  
514  H HG3  . MET   A 36  ? 0.625502 0.593336 0.433843  -0.282004   -0.10516    0.167886    48  MET   B HG3  
515  H HE1  . MET   A 36  ? 0.436927 0.483013 0.56167   -0.230003   0.020804    0.0432747   48  MET   B HE1  
516  H HE2  . MET   A 36  ? 0.437396 0.466325 0.555528  -0.221788   0.02338     0.0325061   48  MET   B HE2  
517  H HE3  . MET   A 36  ? 0.436512 0.482703 0.558295  -0.231364   0.0143873   0.0413443   48  MET   B HE3  
518  N N    . ILE   A 37  ? 0.397163 0.607519 0.472918  -0.124586   -0.150065   0.158218    49  ILE   B N    
519  C CA   . ILE   A 37  ? 0.400278 0.552963 0.576328  -0.100581   -0.198034   0.124114    49  ILE   B CA   
520  C C    . ILE   A 37  ? 0.2947   0.532708 0.587094  -0.092137   -0.112752   0.201095    49  ILE   B C    
521  O O    . ILE   A 37  ? 0.310775 0.718704 0.580446  -0.155136   -0.151848   0.180999    49  ILE   B O    
522  C CB   . ILE   A 37  ? 0.373452 0.57942  0.699068  -0.127292   -0.236739   0.13826     49  ILE   B CB   
523  C CG1  . ILE   A 37  ? 0.520589 0.583368 0.769378  -0.0516987  -0.271302   0.185583    49  ILE   B CG1  
524  C CG2  . ILE   A 37  ? 0.432933 0.569604 0.703477  -0.101589   -0.244203   0.172817    49  ILE   B CG2  
525  C CD1  . ILE   A 37  ? 0.479177 0.543931 0.831337  -0.0814812  -0.276598   0.229321    49  ILE   B CD1  
526  H H    . ILE   A 37  ? 0.42182  0.571307 0.509526  -0.137529   -0.173007   0.16068     49  ILE   B H    
527  H HA   . ILE   A 37  ? 0.39706  0.566942 0.578426  -0.0950848  -0.176784   0.143069    49  ILE   B HA   
528  H HB   . ILE   A 37  ? 0.40742  0.570657 0.675433  -0.106859   -0.221355   0.149881    49  ILE   B HB   
529  H HG12 . ILE   A 37  ? 0.495383 0.580104 0.763943  -0.0652177  -0.26292    0.174346    49  ILE   B HG12 
530  H HG13 . ILE   A 37  ? 0.481226 0.578979 0.758341  -0.0729711  -0.255249   0.179588    49  ILE   B HG13 
531  H HG21 . ILE   A 37  ? 0.423198 0.573189 0.700226  -0.104095   -0.233999   0.158548    49  ILE   B HG21 
532  H HG22 . ILE   A 37  ? 0.425613 0.575239 0.700583  -0.102557   -0.234944   0.156901    49  ILE   B HG22 
533  H HG23 . ILE   A 37  ? 0.423026 0.574185 0.698619  -0.10388    -0.232392   0.158405    49  ILE   B HG23 
534  H HD11 . ILE   A 37  ? 0.493561 0.559769 0.804858  -0.0702293  -0.261605   0.213844    49  ILE   B HD11 
535  H HD12 . ILE   A 37  ? 0.492803 0.560044 0.804326  -0.0660754  -0.266651   0.213863    49  ILE   B HD12 
536  H HD13 . ILE   A 37  ? 0.496497 0.561558 0.809853  -0.0689395  -0.264322   0.214116    49  ILE   B HD13 
537  N N    . GLY   A 38  ? 0.312221 0.568391 0.563187  -0.0501675  -0.150725   0.211331    50  GLY   B N    
538  C CA   . GLY   A 38  ? 0.348235 0.540175 0.497049  -0.0215045  -0.181934   0.151799    50  GLY   B CA   
539  C C    . GLY   A 38  ? 0.325891 0.55025  0.46482   0.0210776   -0.162192   0.0981643   50  GLY   B C    
540  O O    . GLY   A 38  ? 0.34156  0.533421 0.423322  0.0315785   -0.111176   0.0731001   50  GLY   B O    
541  H H    . GLY   A 38  ? 0.321049 0.550848 0.550983  -0.0520004  -0.142056   0.189359    50  GLY   B H    
542  H HA2  . GLY   A 38  ? 0.341426 0.546218 0.501044  -0.0164787  -0.164136   0.149218    50  GLY   B HA2  
543  H HA3  . GLY   A 38  ? 0.346309 0.547652 0.503273  -0.0155527  -0.164939   0.149389    50  GLY   B HA3  
544  N N    . ASP   A 39  ? 0.273499 0.599951 0.425087  0.012463    -0.0982488  0.140841    51  ASP   B N    
545  C CA   . ASP   A 39  ? 0.24587  0.617191 0.310941  -0.0100478  -0.044275   0.0640674   51  ASP   B CA   
546  C C    . ASP   A 39  ? 0.281145 0.561132 0.330801  0.0572463   -0.082024   0.106116    51  ASP   B C    
547  O O    . ASP   A 39  ? 0.286431 0.610873 0.340273  0.038231    -0.0283879  0.122502    51  ASP   B O    
548  C CB   . ASP   A 39  ? 0.310403 0.676647 0.371127  -0.0199844  -0.10042    0.09359     51  ASP   B CB   
549  C CG   . ASP   A 39  ? 0.353674 0.732674 0.36156   -0.093024   -0.0615538  0.102771    51  ASP   B CG   
550  O OD1  . ASP   A 39  ? 0.388941 0.807924 0.411514  -0.104682   -0.0925388  0.0262771   51  ASP   B OD1  
551  O OD2  . ASP   A 39  ? 0.402719 0.959452 0.407609  -0.121927   -0.196757   0.0607683   51  ASP   B OD2  
552  H H    . ASP   A 39  ? 0.283899 0.585213 0.401958  0.0111184   -0.0989691  0.115795    51  ASP   B H    
553  H HA   . ASP   A 39  ? 0.271871 0.608641 0.348818  0.00812605  -0.0686219  0.08877     51  ASP   B HA   
554  H HB2  . ASP   A 39  ? 0.301907 0.666189 0.356882  -0.0273321  -0.074969   0.0875973   51  ASP   B HB2  
555  H HB3  . ASP   A 39  ? 0.306465 0.666883 0.35708   -0.028913   -0.0739184  0.087446    51  ASP   B HB3  
556  N N    . LYS   A 40  ? 0.243023 0.468424 0.366329  0.0153734   -0.022828   0.049495    52  LYS   B N    
557  C CA   . LYS   A 40  ? 0.226229 0.498887 0.293909  0.0577098   -0.0391478  0.0218529   52  LYS   B CA   
558  C C    . LYS   A 40  ? 0.236628 0.496336 0.30469   0.0771003   -0.0313983  0.0228147   52  LYS   B C    
559  O O    . LYS   A 40  ? 0.267081 0.610397 0.376393  0.142424    -0.0105001  -0.017159   52  LYS   B O    
560  C CB   . LYS   A 40  ? 0.253945 0.535785 0.380913  0.150595    -0.0882718  -0.0131875  52  LYS   B CB   
561  H H    . LYS   A 40  ? 0.249282 0.493227 0.341792  0.0354097   -0.0377494  0.0541844   52  LYS   B H    
562  H HA   . LYS   A 40  ? 0.237899 0.49334  0.321698  0.0690647   -0.0383596  0.021085    52  LYS   B HA   
563  H HB2  . LYS   A 40  ? 0.388313 0.388313 0.388313  0           0           0           52  LYS   B HB2  
564  H HB3  . LYS   A 40  ? 0.388313 0.388313 0.388313  0           0           0           52  LYS   B HB3  
565  N N    . VAL   A 41  ? 0.242733 0.446587 0.266757  0.0823337   -0.041681   0.0200607   53  VAL   B N    
566  C CA   . VAL   A 41  ? 0.213479 0.437257 0.305907  0.0974309   -0.0615442  0.0131633   53  VAL   B CA   
567  C C    . VAL   A 41  ? 0.257534 0.386692 0.29414   0.126759    -0.0162923  -0.0214829  53  VAL   B C    
568  O O    . VAL   A 41  ? 0.29965  0.406175 0.240342  0.0901193   -0.0145507  -0.0447628  53  VAL   B O    
569  C CB   . VAL   A 41  ? 0.251152 0.430559 0.335704  0.0664892   -0.0673036  0.0261638   53  VAL   B CB   
570  C CG1  . VAL   A 41  ? 0.305298 0.428761 0.280804  0.0805759   -0.0570236  -0.0139692  53  VAL   B CG1  
571  C CG2  . VAL   A 41  ? 0.263265 0.466933 0.397659  0.0780176   -0.0459908  0.0775887   53  VAL   B CG2  
572  H H    . VAL   A 41  ? 0.236256 0.451214 0.280757  0.0840255   -0.0391636  0.0166979   53  VAL   B H    
573  H HA   . VAL   A 41  ? 0.238769 0.426449 0.30511   0.0921665   -0.04929    0.0108497   53  VAL   B HA   
574  H HB   . VAL   A 41  ? 0.260662 0.435451 0.332635  0.0743034   -0.0608856  0.0265041   53  VAL   B HB   
575  H HG11 . VAL   A 41  ? 0.290072 0.424247 0.292748  0.0765065   -0.0534016  -0.00594588 53  VAL   B HG11 
576  H HG12 . VAL   A 41  ? 0.293365 0.42689  0.297385  0.0769339   -0.057256   -0.00456772 53  VAL   B HG12 
577  H HG13 . VAL   A 41  ? 0.292469 0.426845 0.297357  0.0731104   -0.0553739  -0.0037581  53  VAL   B HG13 
578  H HG21 . VAL   A 41  ? 0.26548  0.452175 0.378436  0.0727425   -0.0497749  0.0609519   53  VAL   B HG21 
579  H HG22 . VAL   A 41  ? 0.26923  0.454375 0.384111  0.0758662   -0.0446449  0.064465    53  VAL   B HG22 
580  H HG23 . VAL   A 41  ? 0.267239 0.453447 0.382542  0.07159     -0.0525402  0.0631951   53  VAL   B HG23 
581  N N    . TYR   A 42  ? 0.254412 0.351564 0.31537   0.117162    -0.0297625  -0.0383755  54  TYR   B N    
582  C CA   . TYR   A 42  ? 0.311092 0.336244 0.258413  0.113604    -0.0565029  -0.0649921  54  TYR   B CA   
583  C C    . TYR   A 42  ? 0.287027 0.315312 0.278645  0.0993018   -0.0449574  -0.0629156  54  TYR   B C    
584  O O    . TYR   A 42  ? 0.331774 0.376997 0.257326  0.139275    -0.0390486  -0.0490603  54  TYR   B O    
585  C CB   . TYR   A 42  ? 0.349077 0.360752 0.311112  0.134343    -0.0672627  -0.0745091  54  TYR   B CB   
586  C CG   . TYR   A 42  ? 0.359218 0.445178 0.322748  0.155709    -0.075629   -0.0215256  54  TYR   B CG   
587  C CD1  . TYR   A 42  ? 0.295424 0.465961 0.310971  0.171847    -0.0512474  -0.0287723  54  TYR   B CD1  
588  C CD2  . TYR   A 42  ? 0.409307 0.465766 0.354181  0.178555    -0.120447   0.00348786  54  TYR   B CD2  
589  C CE1  . TYR   A 42  ? 0.379575 0.556825 0.400191  0.143101    -0.103336   -0.00882916 54  TYR   B CE1  
590  C CE2  . TYR   A 42  ? 0.38884  0.559177 0.424655  0.194121    -0.171486   0.0479267   54  TYR   B CE2  
591  C CZ   . TYR   A 42  ? 0.369108 0.592371 0.429247  0.156457    -0.138484   0.010471    54  TYR   B CZ   
592  O OH   . TYR   A 42  ? 0.473099 0.767317 0.50512   0.171419    -0.230578   0.094004    54  TYR   B OH   
593  H H    . TYR   A 42  ? 0.270939 0.355    0.301093  0.11515     -0.0341113  -0.038855   54  TYR   B H    
594  H HA   . TYR   A 42  ? 0.30094  0.337479 0.273686  0.111558    -0.0462923  -0.0591959  54  TYR   B HA   
595  H HB2  . TYR   A 42  ? 0.340886 0.368316 0.305541  0.129655    -0.0658763  -0.0588398  54  TYR   B HB2  
596  H HB3  . TYR   A 42  ? 0.341066 0.369184 0.301364  0.130036    -0.0651674  -0.0586474  54  TYR   B HB3  
597  H HD1  . TYR   A 42  ? 0.328382 0.472132 0.328659  0.157917    -0.0665399  -0.0183938  54  TYR   B HD1  
598  H HD2  . TYR   A 42  ? 0.393287 0.476961 0.360584  0.171765    -0.115817   0.00492102  54  TYR   B HD2  
599  H HE1  . TYR   A 42  ? 0.360411 0.536875 0.382453  0.153092    -0.0951584  -0.00958224 54  TYR   B HE1  
600  H HE2  . TYR   A 42  ? 0.391617 0.537287 0.40621   0.176434    -0.145356   0.0279862   54  TYR   B HE2  
601  H HH   . TYR   A 42  ? 0.576771 0.576771 0.576771  0           0           0           54  TYR   B HH   
602  N N    . VAL   A 43  ? 0.322274 0.276413 0.220147  0.100576    -0.0502773  -0.0524014  55  VAL   B N    
603  C CA   . VAL   A 43  ? 0.302627 0.255765 0.224192  0.0905003   -0.0436746  -0.073667   55  VAL   B CA   
604  C C    . VAL   A 43  ? 0.351017 0.229054 0.211793  0.0805354   -0.0239443  -0.0400717  55  VAL   B C    
605  O O    . VAL   A 43  ? 0.389471 0.289732 0.217185  0.0906056   -0.0388828  -0.00351283 55  VAL   B O    
606  C CB   . VAL   A 43  ? 0.291228 0.238671 0.222823  0.0809603   -0.0274538  -0.0296873  55  VAL   B CB   
607  C CG1  . VAL   A 43  ? 0.282327 0.239856 0.204705  0.080144    -0.0314652  -0.0174504  55  VAL   B CG1  
608  C CG2  . VAL   A 43  ? 0.319875 0.218268 0.237922  0.092376    0.00037681  -0.0321929  55  VAL   B CG2  
609  H H    . VAL   A 43  ? 0.308872 0.279746 0.22692   0.0953169   -0.0450515  -0.0582632  55  VAL   B H    
610  H HA   . VAL   A 43  ? 0.31161  0.252362 0.219559  0.0868987   -0.0357332  -0.0543704  55  VAL   B HA   
611  H HB   . VAL   A 43  ? 0.294539 0.239407 0.221863  0.0820356   -0.0262735  -0.0347855  55  VAL   B HB   
612  H HG11 . VAL   A 43  ? 0.282248 0.240903 0.210412  0.0780193   -0.0306048  -0.0208957  55  VAL   B HG11 
613  H HG12 . VAL   A 43  ? 0.283107 0.240175 0.210107  0.0783672   -0.0289543  -0.0209815  55  VAL   B HG12 
614  H HG13 . VAL   A 43  ? 0.282908 0.239075 0.210697  0.0785289   -0.0295262  -0.0203665  55  VAL   B HG13 
615  H HG21 . VAL   A 43  ? 0.30859  0.222669 0.23443   0.0872448   -0.00667002 -0.0294007  55  VAL   B HG21 
616  H HG22 . VAL   A 43  ? 0.310329 0.225517 0.23473   0.086755    -0.00673806 -0.0301669  55  VAL   B HG22 
617  H HG23 . VAL   A 43  ? 0.312854 0.22532  0.237806  0.0871653   -0.00354462 -0.0295317  55  VAL   B HG23 
618  N N    . HIS   A 44  ? 0.336735 0.241214 0.22414   0.0751047   -0.048018   -0.0439914  56  HIS   B N    
619  C CA   . HIS   A 44  ? 0.361711 0.220005 0.274013  0.0884832   -0.0292295  -0.0321336  56  HIS   B CA   
620  C C    . HIS   A 44  ? 0.321931 0.205413 0.222534  0.0572877   -0.0178332  -0.0244605  56  HIS   B C    
621  O O    . HIS   A 44  ? 0.337633 0.249602 0.198124  0.0518661   -0.0126398  0.00229756  56  HIS   B O    
622  C CB   . HIS   A 44  ? 0.420448 0.217954 0.28446   0.108145    -0.0418271  -0.0465765  56  HIS   B CB   
623  C CG   . HIS   A 44  ? 0.481647 0.236663 0.345164  0.102548    -0.0334298  -0.0188957  56  HIS   B CG   
624  N ND1  . HIS   A 44  ? 0.523132 0.223622 0.354249  0.0888421   -0.0755609  -0.0194829  56  HIS   B ND1  
625  C CD2  . HIS   A 44  ? 0.488321 0.267363 0.376714  0.0960966   -0.0414217  -0.00292395 56  HIS   B CD2  
626  C CE1  . HIS   A 44  ? 0.557858 0.282796 0.34704   0.0997958   -0.0861787  0.0100018   56  HIS   B CE1  
627  N NE2  . HIS   A 44  ? 0.551496 0.284892 0.356286  0.111582    -0.0838756  -0.0034523  56  HIS   B NE2  
628  H H    . HIS   A 44  ? 0.342622 0.235774 0.230985  0.0774492   -0.0363226  -0.0392849  56  HIS   B H    
629  H HA   . HIS   A 44  ? 0.355491 0.223433 0.265446  0.0801041   -0.0316385  -0.0335594  56  HIS   B HA   
630  H HB2  . HIS   A 44  ? 0.413399 0.225147 0.292683  0.100074    -0.0343357  -0.0355913  56  HIS   B HB2  
631  H HB3  . HIS   A 44  ? 0.413672 0.225097 0.293199  0.0999153   -0.0347495  -0.0354076  56  HIS   B HB3  
632  H HD1  . HIS   A 44  ? 0.364503 0.364503 0.364503  0           0           0           56  HIS   B HD1  
633  H HD2  . HIS   A 44  ? 0.497484 0.267055 0.365533  0.098821    -0.0469624  -0.00587351 56  HIS   B HD2  
634  H HE1  . HIS   A 44  ? 0.543043 0.272032 0.34937   0.0978816   -0.0783929  0.00215672  56  HIS   B HE1  
635  H HE2  . HIS   A 44  ? 0.399965 0.399965 0.399965  0           0           0           56  HIS   B HE2  
636  N N    . TYR   A 45  ? 0.320916 0.19113  0.208585  0.0350396   -0.0210134  -0.00556798 57  TYR   B N    
637  C CA   . TYR   A 45  ? 0.326753 0.189078 0.205821  0.0522605   -0.00527629 -0.00240946 57  TYR   B CA   
638  C C    . TYR   A 45  ? 0.334825 0.212513 0.217213  0.00608248  -0.0361268  0.0117077   57  TYR   B C    
639  O O    . TYR   A 45  ? 0.365832 0.234778 0.238394  0.0153133   -0.0218417  0.0397528   57  TYR   B O    
640  C CB   . TYR   A 45  ? 0.318031 0.196246 0.208133  0.0496099   -0.00858044 -0.00499257 57  TYR   B CB   
641  C CG   . TYR   A 45  ? 0.345587 0.209151 0.205734  0.0416122   -0.0363489  0.0138107   57  TYR   B CG   
642  C CD1  . TYR   A 45  ? 0.351481 0.18752  0.204805  0.018029    -0.0267154  0.0129245   57  TYR   B CD1  
643  C CD2  . TYR   A 45  ? 0.360705 0.170496 0.214579  0.0287224   -0.0399431  0.0206065   57  TYR   B CD2  
644  C CE1  . TYR   A 45  ? 0.371926 0.206077 0.196324  0.0290192   -0.0171045  -0.00405426 57  TYR   B CE1  
645  C CE2  . TYR   A 45  ? 0.372812 0.19084  0.212283  0.0277915   -0.0623869  0.0144098   57  TYR   B CE2  
646  C CZ   . TYR   A 45  ? 0.36756  0.196962 0.195468  0.0389703   -0.0318429  0.0214019   57  TYR   B CZ   
647  O OH   . TYR   A 45  ? 0.440321 0.235109 0.189411  0.0437259   -0.0569768  0.00626262  57  TYR   B OH   
648  H H    . TYR   A 45  ? 0.320967 0.19428  0.210062  0.0431753   -0.0158155  -0.00641789 57  TYR   B H    
649  H HA   . TYR   A 45  ? 0.323443 0.198252 0.208824  0.0393999   -0.0135997  7.464e-05   57  TYR   B HA   
650  H HB2  . TYR   A 45  ? 0.32346  0.199482 0.208721  0.0468248   -0.0126762  -0.00018674 57  TYR   B HB2  
651  H HB3  . TYR   A 45  ? 0.320457 0.198995 0.208441  0.0464361   -0.0123559  0.00018649  57  TYR   B HB3  
652  H HD1  . TYR   A 45  ? 0.351874 0.198656 0.204913  0.0261183   -0.0257474  0.00964998  57  TYR   B HD1  
653  H HD2  . TYR   A 45  ? 0.357036 0.18669  0.213376  0.0313369   -0.0417334  0.0174937   57  TYR   B HD2  
654  H HE1  . TYR   A 45  ? 0.363705 0.202166 0.200965  0.0289168   -0.021733   0.0065109   57  TYR   B HE1  
655  H HE2  . TYR   A 45  ? 0.36274  0.191109 0.208961  0.0316909   -0.0493172  0.0178197   57  TYR   B HE2  
656  H HH   . TYR   A 45  ? 0.289145 0.289145 0.289145  0           0           0           57  TYR   B HH   
657  N N    . LYS   A 46  ? 0.323149 0.270313 0.233213  0.0320396   0.0015333   0.04177     58  LYS   B N    
658  C CA   . LYS   A 46  ? 0.332423 0.295217 0.290187  0.0237184   -0.00406248 0.0982844   58  LYS   B CA   
659  C C    . LYS   A 46  ? 0.327335 0.316111 0.282309  0.0472887   0.0265755   0.110503    58  LYS   B C    
660  O O    . LYS   A 46  ? 0.38718  0.328073 0.292115  0.0429805   0.0686481   0.117991    58  LYS   B O    
661  C CB   . LYS   A 46  ? 0.323554 0.211323 0.460012  0.0132874   0.00421653  -0.00593259 58  LYS   B CB   
662  H H    . LYS   A 46  ? 0.32679  0.256136 0.239175  0.0235295   -0.00837765 0.0442859   58  LYS   B H    
663  H HA   . LYS   A 46  ? 0.327264 0.274878 0.287616  0.0267393   0.00409928  0.0761181   58  LYS   B HA   
664  H HB2  . LYS   A 46  ? 0.321315 0.321315 0.321315  0           0           0           58  LYS   B HB2  
665  H HB3  . LYS   A 46  ? 0.321315 0.321315 0.321315  0           0           0           58  LYS   B HB3  
666  N N    . GLY   A 47  ? 0.306754 0.32409  0.253552  0.0235232   0.00279069  0.136867    59  GLY   B N    
667  C CA   . GLY   A 47  ? 0.298924 0.346572 0.268225  0.027111    0.00498912  0.106796    59  GLY   B CA   
668  C C    . GLY   A 47  ? 0.289561 0.371808 0.226513  0.013582    0.0208372   0.138566    59  GLY   B C    
669  O O    . GLY   A 47  ? 0.317027 0.438294 0.338686  0.0480733   0.0650512   0.228978    59  GLY   B O    
670  H H    . GLY   A 47  ? 0.309238 0.318585 0.252963  0.0279087   0.00977963  0.128034    59  GLY   B H    
671  H HA2  . GLY   A 47  ? 0.298842 0.346324 0.267179  0.021981    0.00828806  0.109441    59  GLY   B HA2  
672  H HA3  . GLY   A 47  ? 0.298364 0.345185 0.258107  0.021838    0.0072789   0.115485    59  GLY   B HA3  
673  N N    . LYS   A 48  ? 0.260612 0.269911 0.223708  -0.0126839  0.0192316   0.0709974   60  LYS   B N    
674  C CA   . LYS   A 48  ? 0.277676 0.320992 0.219096  -0.0365807  0.0236543   0.0712565   60  LYS   B CA   
675  C C    . LYS   A 48  ? 0.235351 0.303751 0.249327  -0.0421795  0.0263604   0.0481502   60  LYS   B C    
676  O O    . LYS   A 48  ? 0.242788 0.288814 0.208496  -0.0154239  0.0267064   0.0428617   60  LYS   B O    
677  C CB   . LYS   A 48  ? 0.293477 0.303125 0.22734   -0.0470136  0.0463064   0.0471913   60  LYS   B CB   
678  C CG   . LYS   A 48  ? 0.34264  0.306247 0.257712  -0.0483048  -0.00296178 0.0692403   60  LYS   B CG   
679  C CD   . LYS   A 48  ? 0.339036 0.334119 0.356031  -0.101708   -0.0101488  0.0856636   60  LYS   B CD   
680  C CE   . LYS   A 48  ? 0.420678 0.442441 0.427781  -0.128685   -0.0417082  0.0872479   60  LYS   B CE   
681  N NZ   . LYS   A 48  ? 0.470619 0.394055 0.603959  -0.132472   -0.0746038  0.0636178   60  LYS   B NZ   
682  H H    . LYS   A 48  ? 0.268559 0.296086 0.223404  -0.0126099  0.0207393   0.0843969   60  LYS   B H    
683  H HA   . LYS   A 48  ? 0.27034  0.303734 0.222015  -0.0333577  0.0268397   0.0642634   60  LYS   B HA   
684  H HB2  . LYS   A 48  ? 0.291392 0.307764 0.23139   -0.0426495  0.0342254   0.0555811   60  LYS   B HB2  
685  H HB3  . LYS   A 48  ? 0.297979 0.306832 0.232876  -0.0431545  0.0306007   0.0558006   60  LYS   B HB3  
686  H HG2  . LYS   A 48  ? 0.332993 0.310199 0.271317  -0.0578325  0.00547189  0.0657635   60  LYS   B HG2  
687  H HG3  . LYS   A 48  ? 0.328693 0.306145 0.270137  -0.0560935  0.00746244  0.0653789   60  LYS   B HG3  
688  H HD2  . LYS   A 48  ? 0.351331 0.34357  0.343543  -0.0886098  -0.0126336  0.0789648   60  LYS   B HD2  
689  H HD3  . LYS   A 48  ? 0.354303 0.339313 0.342867  -0.0890078  -0.0136109  0.0808778   60  LYS   B HD3  
690  H HE2  . LYS   A 48  ? 0.413691 0.407751 0.441699  -0.122018   -0.0414596  0.0802725   60  LYS   B HE2  
691  H HE3  . LYS   A 48  ? 0.408265 0.421288 0.441812  -0.118544   -0.0392135  0.0746826   60  LYS   B HE3  
692  H HZ1  . LYS   A 48  ? 0.455835 0.408195 0.548609  -0.128214   -0.0621638  0.0705858   60  LYS   B HZ1  
693  H HZ2  . LYS   A 48  ? 0.459896 0.413662 0.549551  -0.130201   -0.0637348  0.0702938   60  LYS   B HZ2  
694  H HZ3  . LYS   A 48  ? 0.455853 0.412276 0.571367  -0.127917   -0.0635164  0.0681214   60  LYS   B HZ3  
695  N N    . LEU   A 49  ? 0.272031 0.297641 0.22117   -0.0344768  0.0480133   0.0478026   61  LEU   B N    
696  C CA   . LEU   A 49  ? 0.274073 0.28256  0.227498  -0.0236172  0.0503312   0.0313849   61  LEU   B CA   
697  C C    . LEU   A 49  ? 0.283073 0.314744 0.240692  -0.0447488  0.0276127   0.00819846  61  LEU   B C    
698  O O    . LEU   A 49  ? 0.326155 0.318765 0.273382  -0.0546052  0.00520605  0.00230553  61  LEU   B O    
699  C CB   . LEU   A 49  ? 0.284103 0.340164 0.252192  -0.00577273 0.0674832   0.0342011   61  LEU   B CB   
700  C CG   . LEU   A 49  ? 0.324246 0.352075 0.237992  -0.0391515  0.075008    0.0343856   61  LEU   B CG   
701  C CD1  . LEU   A 49  ? 0.331102 0.390789 0.273967  -0.0185823  0.0987824   0.0489476   61  LEU   B CD1  
702  C CD2  . LEU   A 49  ? 0.352079 0.35106  0.228229  -0.0157293  0.0569112   0.0460276   61  LEU   B CD2  
703  H H    . LEU   A 49  ? 0.264207 0.293353 0.226155  -0.0335759  0.0437058   0.0465551   61  LEU   B H    
704  H HA   . LEU   A 49  ? 0.274905 0.296269 0.233196  -0.0282749  0.0468702   0.030291    61  LEU   B HA   
705  H HB2  . LEU   A 49  ? 0.293802 0.330293 0.244061  -0.0125876  0.0633292   0.0330717   61  LEU   B HB2  
706  H HB3  . LEU   A 49  ? 0.290662 0.326657 0.244054  -0.0159504  0.063057    0.0327116   61  LEU   B HB3  
707  H HG   . LEU   A 49  ? 0.321963 0.357021 0.246197  -0.0257162  0.0723361   0.0372244   61  LEU   B HG   
708  H HD11 . LEU   A 49  ? 0.332885 0.38143  0.266089  -0.0199133  0.0900661   0.0436456   61  LEU   B HD11 
709  H HD12 . LEU   A 49  ? 0.330767 0.378003 0.271843  -0.0231673  0.0913884   0.0430149   61  LEU   B HD12 
710  H HD13 . LEU   A 49  ? 0.330513 0.379593 0.266107  -0.0239535  0.089721    0.0426859   61  LEU   B HD13 
711  H HD21 . LEU   A 49  ? 0.344027 0.34916  0.234918  -0.0220463  0.0572012   0.0415081   61  LEU   B HD21 
712  H HD22 . LEU   A 49  ? 0.342669 0.347657 0.233748  -0.0208182  0.0594465   0.0418711   61  LEU   B HD22 
713  H HD23 . LEU   A 49  ? 0.342677 0.349635 0.231483  -0.0215973  0.0586254   0.0414365   61  LEU   B HD23 
714  N N    . SER   A 50  ? 0.275819 0.337461 0.22922   -0.0331683  0.0002663   0.00850847  62  SER   B N    
715  C CA   . SER   A 50  ? 0.299824 0.356492 0.253491  -0.0437262  -0.0259849  0.0468454   62  SER   B CA   
716  C C    . SER   A 50  ? 0.295901 0.343766 0.337     -0.0290302  -0.0107589  0.0586849   62  SER   B C    
717  O O    . SER   A 50  ? 0.364317 0.430926 0.304745  -0.04045    -0.0121993  0.041336    62  SER   B O    
718  C CB   . SER   A 50  ? 0.388294 0.397433 0.280232  -0.0019137  -0.0218268  0.0931573   62  SER   B CB   
719  O OG   . SER   A 50  ? 0.315015 0.367977 0.426826  -0.0122162  -0.0744853  0.0689106   62  SER   B OG   
720  H H    . SER   A 50  ? 0.28282  0.332028 0.238049  -0.0369821  0.00198773  0.0160106   62  SER   B H    
721  H HA   . SER   A 50  ? 0.306976 0.355734 0.266929  -0.0330254  -0.0171297  0.0477942   62  SER   B HA   
722  H HB2  . SER   A 50  ? 0.350235 0.378179 0.300803  -0.0134741  -0.0344417  0.0722563   62  SER   B HB2  
723  H HB3  . SER   A 50  ? 0.370394 0.37998  0.305498  -0.00765488 -0.0317628  0.0736754   62  SER   B HB3  
724  H HG   . SER   A 50  ? 0.373115 0.373115 0.373115  0           0           0           62  SER   B HG   
725  N N    . ASN   A 51  ? 0.24225  0.434059 0.406716  -0.0556937  0.0194486   0.0705506   63  ASN   B N    
726  C CA   . ASN   A 51  ? 0.247999 0.496846 0.511859  -0.0404871  -0.0577986  0.0091833   63  ASN   B CA   
727  C C    . ASN   A 51  ? 0.263067 0.527278 0.578638  -0.0425039  0.0417306   0.0598159   63  ASN   B C    
728  O O    . ASN   A 51  ? 0.301608 0.675119 0.703712  -0.0894941  0.0278668   0.0754144   63  ASN   B O    
729  C CB   . ASN   A 51  ? 0.265175 0.615573 0.557042  0.00472802  -0.0236601  0.0111996   63  ASN   B CB   
730  C CG   . ASN   A 51  ? 0.38596  0.584965 0.546351  0.0169997   0.0300566   0.065743    63  ASN   B CG   
731  O OD1  . ASN   A 51  ? 0.412499 0.487831 0.556335  0.0210798   0.069186    0.0507404   63  ASN   B OD1  
732  N ND2  . ASN   A 51  ? 0.460209 0.588107 0.67497   0.023944    0.024397    0.032784    63  ASN   B ND2  
733  H H    . ASN   A 51  ? 0.264029 0.422124 0.410464  -0.0411048  2.141e-05   0.0582804   63  ASN   B H    
734  H HA   . ASN   A 51  ? 0.257208 0.500834 0.490913  -0.0345138  -0.0192715  0.0326319   63  ASN   B HA   
735  H HB2  . ASN   A 51  ? 0.281136 0.576347 0.541695  -0.00589779 -0.0201198  0.0214837   63  ASN   B HB2  
736  H HB3  . ASN   A 51  ? 0.287953 0.591819 0.543762  -0.00210279 -0.0198852  0.0161264   63  ASN   B HB3  
737  H HD21 . ASN   A 51  ? 0.439297 0.588592 0.649626  0.0204916   0.0311972   0.0428584   63  ASN   B HD21 
738  H HD22 . ASN   A 51  ? 0.439043 0.59331  0.633692  0.0163544   0.0285216   0.039598    63  ASN   B HD22 
739  N N    . GLY   A 52  ? 0.3667   0.434463 0.622059  -0.0459831  -0.0312377  0.107203    64  GLY   B N    
740  C CA   . GLY   A 52  ? 0.305633 0.317146 0.646136  -0.0586469  0.0147673   -0.0222765  64  GLY   B CA   
741  C C    . GLY   A 52  ? 0.379407 0.399884 0.702554  -0.00061051 0.0549987   -0.0257365  64  GLY   B C    
742  O O    . GLY   A 52  ? 0.480762 0.397505 0.796742  0.0332183   0.0857429   0.00525093  64  GLY   B O    
743  H H    . GLY   A 52  ? 0.351103 0.429734 0.606061  -0.0354045  -0.00487539 0.0613437   64  GLY   B H    
744  H HA2  . GLY   A 52  ? 0.322992 0.357046 0.638968  -0.0370688  0.0151175   0.00534227  64  GLY   B HA2  
745  H HA3  . GLY   A 52  ? 0.320356 0.357557 0.634212  -0.0479209  0.00315982  0.00167338  64  GLY   B HA3  
746  N N    . LYS   A 53  ? 0.38709  0.45791  0.640102  -0.0113815  0.0973702   -0.038201   65  LYS   B N    
747  C CA   . LYS   A 53  ? 0.472649 0.414109 0.620819  0.0316945   0.110797    0.0204946   65  LYS   B CA   
748  C C    . LYS   A 53  ? 0.458357 0.570164 0.539872  0.0131585   0.177664    0.130461    65  LYS   B C    
749  O O    . LYS   A 53  ? 0.575069 0.609165 0.688585  -0.00086759 0.256522    0.2037      65  LYS   B O    
750  C CB   . LYS   A 53  ? 0.503714 0.491596 0.617425  0.0821078   0.147435    -0.00780986 65  LYS   B CB   
751  H H    . LYS   A 53  ? 0.40651  0.444827 0.647712  0.00428891  0.0871768   -0.020392   65  LYS   B H    
752  H HA   . LYS   A 53  ? 0.454273 0.460313 0.609874  0.0257806   0.12248     0.0225304   65  LYS   B HA   
753  H HB2  . LYS   A 53  ? 0.538902 0.538902 0.538902  0           0           0           65  LYS   B HB2  
754  H HB3  . LYS   A 53  ? 0.538902 0.538902 0.538902  0           0           0           65  LYS   B HB3  
755  N N    . LYS   A 54  ? 0.450439 0.545515 0.4556    -0.0721057  0.141861    0.141965    66  LYS   B N    
756  C CA   . LYS   A 54  ? 0.548265 0.467583 0.32885   -0.0664951  0.127268    0.109169    66  LYS   B CA   
757  C C    . LYS   A 54  ? 0.533392 0.420076 0.376507  -0.04994    0.0804116   0.16063     66  LYS   B C    
758  O O    . LYS   A 54  ? 0.60367  0.527701 0.280312  -0.184877   0.0707199   0.147508    66  LYS   B O    
759  C CB   . LYS   A 54  ? 0.64675  0.509063 0.249186  -0.0779199  0.0438248   0.0680865   66  LYS   B CB   
760  H H    . LYS   A 54  ? 0.477295 0.524858 0.438751  -0.0500271  0.142076    0.127555    66  LYS   B H    
761  H HA   . LYS   A 54  ? 0.543522 0.471803 0.347131  -0.0657615  0.105565    0.117787    66  LYS   B HA   
762  H HB2  . LYS   A 54  ? 0.473803 0.473803 0.473803  0           0           0           66  LYS   B HB2  
763  H HB3  . LYS   A 54  ? 0.473803 0.473803 0.473803  0           0           0           66  LYS   B HB3  
764  N N    A PHE   A 55  ? 0.524803 0.407588 0.344798  -0.0117622  0.0522512   0.0867459   67  PHE   B N    
765  N N    B PHE   A 55  ? 0.55074  0.429237 0.440642  0.00693351  0.0400221   0.09597     67  PHE   B N    
766  C CA   A PHE   A 55  ? 0.48983  0.369013 0.335145  -0.0367865  0.0512972   0.0901719   67  PHE   B CA   
767  C CA   B PHE   A 55  ? 0.532437 0.421912 0.45528   0.00585561  0.0189217   0.0896342   67  PHE   B CA   
768  C C    A PHE   A 55  ? 0.48382  0.350795 0.297421  0.0051606   0.0425064   0.119099    67  PHE   B C    
769  C C    B PHE   A 55  ? 0.491563 0.38149  0.382128  0.0300091   0.0343749   0.116321    67  PHE   B C    
770  O O    A PHE   A 55  ? 0.513149 0.435665 0.298537  -0.0230271  0.0464027   0.0801571   67  PHE   B O    
771  O O    B PHE   A 55  ? 0.517508 0.463007 0.382453  0.00377475  0.03265     0.0706964   67  PHE   B O    
772  C CB   A PHE   A 55  ? 0.460634 0.280509 0.292709  -0.0509389  0.0802103   0.102131    67  PHE   B CB   
773  C CB   B PHE   A 55  ? 0.562991 0.317835 0.517219  0.0223037   0.0274898   0.0758637   67  PHE   B CB   
774  C CG   A PHE   A 55  ? 0.453343 0.3048   0.261108  -0.0906783  0.0859942   0.109397    67  PHE   B CG   
775  C CG   B PHE   A 55  ? 0.601758 0.41194  0.567901  0.0216027   0.0208274   0.105034    67  PHE   B CG   
776  C CD1  A PHE   A 55  ? 0.441594 0.342402 0.187952  -0.0676697  0.0760237   0.0504696   67  PHE   B CD1  
777  C CD1  B PHE   A 55  ? 0.582337 0.411228 0.638477  -0.0262972  0.00726798  0.1047      67  PHE   B CD1  
778  C CD2  A PHE   A 55  ? 0.485383 0.404357 0.313753  -0.0831947  0.056811    0.092972    67  PHE   B CD2  
779  C CD2  B PHE   A 55  ? 0.577559 0.487784 0.641759  0.0452703   0.0152609   0.103758    67  PHE   B CD2  
780  C CE1  A PHE   A 55  ? 0.391076 0.377888 0.284885  -0.0968087  0.0699177   0.0578672   67  PHE   B CE1  
781  C CE1  B PHE   A 55  ? 0.60493  0.46991  0.671819  -0.0185452  0.0325973   0.0708165   67  PHE   B CE1  
782  C CE2  A PHE   A 55  ? 0.503696 0.342665 0.335327  -0.095623   0.0178947   0.0616367   67  PHE   B CE2  
783  C CE2  B PHE   A 55  ? 0.594999 0.423698 0.617544  0.0331222   -0.00963023 0.111124    67  PHE   B CE2  
784  C CZ   A PHE   A 55  ? 0.429716 0.339276 0.30355   -0.100631   0.0329389   0.0834121   67  PHE   B CZ   
785  C CZ   B PHE   A 55  ? 0.579058 0.392134 0.639498  0.051919    0.00688082  0.133883    67  PHE   B CZ   
786  H H    A PHE   A 55  ? 0.516248 0.40483  0.361045  -0.0246178  0.0554883   0.0964257   67  PHE   B H    
787  H H    B PHE   A 55  ? 0.541012 0.431621 0.442349  -0.00582398 0.0416088   0.0992035   67  PHE   B H    
788  H HA   A PHE   A 55  ? 0.486864 0.361731 0.33009   -0.0243884  0.0522575   0.0897153   67  PHE   B HA   
789  H HA   B PHE   A 55  ? 0.531104 0.405938 0.453583  0.0150844   0.0250574   0.0859568   67  PHE   B HA   
790  H HB2  A PHE   A 55  ? 0.460527 0.299668 0.289154  -0.056414   0.075926    0.104015    67  PHE   B HB2  
791  H HB2  B PHE   A 55  ? 0.559464 0.361621 0.510485  0.0191614   0.0233649   0.0838216   67  PHE   B HB2  
792  H HB3  A PHE   A 55  ? 0.457992 0.303658 0.292212  -0.0540003  0.0766844   0.0987934   67  PHE   B HB3  
793  H HB3  B PHE   A 55  ? 0.558477 0.353558 0.507503  0.0224303   0.021376    0.0884347   67  PHE   B HB3  
794  H HD1  A PHE   A 55  ? 0.430206 0.34242  0.197504  -0.0766259  0.0775924   0.0612595   67  PHE   B HD1  
795  H HD1  B PHE   A 55  ? 0.586431 0.426158 0.621627  -0.0105356  0.0145656   0.0950789   67  PHE   B HD1  
796  H HD2  A PHE   A 55  ? 0.480463 0.363799 0.307554  -0.0851313  0.0530907   0.0874964   67  PHE   B HD2  
797  H HD2  B PHE   A 55  ? 0.580638 0.454642 0.615863  0.0358885   0.0125502   0.102553    67  PHE   B HD2  
798  H HE1  A PHE   A 55  ? 0.403195 0.35993  0.267673  -0.0860711  0.0657883   0.0598772   67  PHE   B HE1  
799  H HE1  B PHE   A 55  ? 0.595052 0.438122 0.650921  -0.00227182 0.0185151   0.0915761   67  PHE   B HE1  
800  H HE2  A PHE   A 55  ? 0.477316 0.356106 0.333049  -0.09052    0.0303261   0.0720802   67  PHE   B HE2  
801  H HE2  B PHE   A 55  ? 0.582939 0.433474 0.622813  0.0388473   -0.0022286  0.111354    67  PHE   B HE2  
802  H HZ   A PHE   A 55  ? 0.430369 0.349893 0.3048    -0.0950357  0.0352812   0.0707118   67  PHE   B HZ   
803  H HZ   B PHE   A 55  ? 0.587245 0.421242 0.638898  0.0312865   0.00916611  0.11149     67  PHE   B HZ   
804  N N    . ASP   A 56  ? 0.420191 0.303305 0.302198  0.048345    0.0332869   0.111884    68  ASP   B N    
805  C CA   . ASP   A 56  ? 0.444392 0.241975 0.251018  0.0358536   0.0314559   0.0875357   68  ASP   B CA   
806  C C    . ASP   A 56  ? 0.438312 0.267824 0.25814   0.0594161   0.0208196   0.068676    68  ASP   B C    
807  O O    . ASP   A 56  ? 0.454764 0.263017 0.238512  0.038004    0.0209296   0.0823506   68  ASP   B O    
808  C CB   . ASP   A 56  ? 0.449151 0.284063 0.258472  0.0235618   0.00128273  0.029947    68  ASP   B CB   
809  C CG   . ASP   A 56  ? 0.466587 0.256648 0.237429  0.0286406   0.021214    0.00951118  68  ASP   B CG   
810  O OD1  . ASP   A 56  ? 0.532254 0.38091  0.297197  0.0727813   -0.0467593  0.0683955   68  ASP   B OD1  
811  O OD2  . ASP   A 56  ? 0.485771 0.244873 0.231479  0.0594317   0.00269656  -0.00275019 68  ASP   B OD2  
812  H H    A ASP   A 56  ? 0.437317 0.298486 0.297521  0.0355659   0.0340222   0.102787    68  ASP   B H    
813  H H    B ASP   A 56  ? 0.436997 0.301329 0.301388  0.0407433   0.0325316   0.104084    68  ASP   B H    
814  H HA   . ASP   A 56  ? 0.437597 0.254563 0.255536  0.0358602   0.0276729   0.0883635   68  ASP   B HA   
815  H HB2  . ASP   A 56  ? 0.45159  0.272799 0.260911  0.0268175   0.0104791   0.0380106   68  ASP   B HB2  
816  H HB3  . ASP   A 56  ? 0.449552 0.279555 0.260262  0.0267885   0.0135237   0.0322467   68  ASP   B HB3  
817  N N    . SER   A 57  ? 0.489928 0.253045 0.277466  0.0560215   0.0321218   0.0716475   69  SER   B N    
818  C CA   . SER   A 57  ? 0.458774 0.244531 0.316783  0.0543897   0.00920869  0.0458702   69  SER   B CA   
819  C C    . SER   A 57  ? 0.455951 0.222433 0.2657    0.0829843   0.0111134   0.0387346   69  SER   B C    
820  O O    . SER   A 57  ? 0.527565 0.281998 0.240605  0.105506    0.0153525   0.0491077   69  SER   B O    
821  C CB   . SER   A 57  ? 0.49147  0.319704 0.243976  0.102594    0.00249634  -0.00281051 69  SER   B CB   
822  O OG   . SER   A 57  ? 0.430182 0.33111  0.31028   0.109761    -0.00533601 0.0240013   69  SER   B OG   
823  H H    . SER   A 57  ? 0.466291 0.255458 0.278291  0.0541078   0.0264092   0.0681239   69  SER   B H    
824  H HA   . SER   A 57  ? 0.464789 0.255201 0.286052  0.0658479   0.013651    0.04242     69  SER   B HA   
825  H HB2  . SER   A 57  ? 0.467809 0.308084 0.280352  0.0909451   0.00298923  0.0133529   69  SER   B HB2  
826  H HB3  . SER   A 57  ? 0.468911 0.312461 0.282476  0.0940102   0.00026305  0.0101598   69  SER   B HB3  
827  H HG   . SER   A 57  ? 0.358677 0.358677 0.358677  0           0           0           69  SER   B HG   
828  N N    . SER   A 58  ? 0.442362 0.219618 0.24366   0.0667658   0.0048275   0.0190901   70  SER   B N    
829  C CA   . SER   A 58  ? 0.443584 0.238871 0.27148   0.0905133   -0.0148442  -0.00582189 70  SER   B CA   
830  C C    . SER   A 58  ? 0.447594 0.240962 0.286029  0.0743939   -0.0379018  0.0220842   70  SER   B C    
831  O O    . SER   A 58  ? 0.499733 0.295669 0.257752  0.102838    -0.0383326  0.0409303   70  SER   B O    
832  C CB   . SER   A 58  ? 0.42789  0.202141 0.291587  0.0580102   -0.0255955  0.0122844   70  SER   B CB   
833  O OG   . SER   A 58  ? 0.383424 0.222933 0.254441  0.0695064   -0.0414528  0.0174564   70  SER   B OG   
834  H H    . SER   A 58  ? 0.442534 0.224604 0.252872  0.0738528   0.00308675  0.0230679   70  SER   B H    
835  H HA   . SER   A 58  ? 0.438996 0.230977 0.270357  0.0751116   -0.0164005  0.00644232  70  SER   B HA   
836  H HB2  . SER   A 58  ? 0.421382 0.218734 0.279844  0.0636876   -0.024327   0.00897167  70  SER   B HB2  
837  H HB3  . SER   A 58  ? 0.417139 0.208881 0.27915   0.0642702   -0.0256868  0.00838281  70  SER   B HB3  
838  H HG   . SER   A 58  ? 0.289145 0.289145 0.289145  0           0           0           70  SER   B HG   
839  N N    . HIS   A 59  ? 0.479757 0.210895 0.286507  0.0558911   -0.0121413  0.0288516   71  HIS   B N    
840  C CA   . HIS   A 59  ? 0.486773 0.215045 0.318101  0.0549867   -0.00239586 0.0130695   71  HIS   B CA   
841  C C    . HIS   A 59  ? 0.530282 0.251367 0.299191  0.101529    0.00975163  0.0520684   71  HIS   B C    
842  O O    . HIS   A 59  ? 0.521455 0.274782 0.322158  0.0435535   0.0490031   0.0839518   71  HIS   B O    
843  C CB   . HIS   A 59  ? 0.51497  0.255433 0.30859   0.0180914   -0.0100814  0.0139955   71  HIS   B CB   
844  C CG   . HIS   A 59  ? 0.488387 0.278797 0.306244  0.00421423  -0.00561557 0.0139551   71  HIS   B CG   
845  N ND1  . HIS   A 59  ? 0.515486 0.30874  0.267206  0.0087386   0.00411788  -0.0276509  71  HIS   B ND1  
846  C CD2  . HIS   A 59  ? 0.489311 0.319092 0.327181  -0.0274256  -0.00666104 0.00217009  71  HIS   B CD2  
847  C CE1  . HIS   A 59  ? 0.505686 0.339021 0.348795  0.00142521  0.076881    -0.0337123  71  HIS   B CE1  
848  N NE2  . HIS   A 59  ? 0.500146 0.317028 0.338754  -0.0470027  -0.00356018 -0.0524508  71  HIS   B NE2  
849  H H    . HIS   A 59  ? 0.46919  0.223285 0.293411  0.0599232   -0.015166   0.024936    71  HIS   B H    
850  H HA   . HIS   A 59  ? 0.48939  0.231891 0.308305  0.0577235   -0.00269119 0.0234309   71  HIS   B HA   
851  H HB2  . HIS   A 59  ? 0.504022 0.25755  0.312649  0.0210313   -0.00550629 0.014209    71  HIS   B HB2  
852  H HB3  . HIS   A 59  ? 0.499958 0.256672 0.312572  0.0235253   -0.00585559 0.0146376   71  HIS   B HB3  
853  H HD1  . HIS   A 59  ? 0.36387  0.36387  0.36387   0           0           0           71  HIS   B HD1  
854  H HD2  . HIS   A 59  ? 0.48933  0.311729 0.326791  -0.0228296  -0.00443412 -0.00659752 71  HIS   B HD2  
855  H HE1  . HIS   A 59  ? 0.492411 0.326724 0.326243  -0.00381615 0.0430174   -0.0353599  71  HIS   B HE1  
856  H HE2  . HIS   A 59  ? 0.391986 0.391986 0.391986  0           0           0           71  HIS   B HE2  
857  N N    . ASP   A 60  ? 0.541069 0.283493 0.341765  0.0863664   0.0819022   0.0963403   72  ASP   B N    
858  C CA   . ASP   A 60  ? 0.6332   0.369009 0.362525  0.0747292   0.0864192   0.108253    72  ASP   B CA   
859  C C    . ASP   A 60  ? 0.682595 0.357834 0.33243   0.0367977   0.101067    0.12725     72  ASP   B C    
860  O O    . ASP   A 60  ? 0.758023 0.461887 0.352158  0.0453323   0.12004     0.221206    72  ASP   B O    
861  C CB   . ASP   A 60  ? 0.667814 0.419416 0.429315  0.111807    0.0818713   0.0614571   72  ASP   B CB   
862  C CG   . ASP   A 60  ? 0.643248 0.411182 0.364095  0.063555    0.10621     0.0460294   72  ASP   B CG   
863  O OD1  . ASP   A 60  ? 0.694659 0.509877 0.319985  0.0549733   0.0235808   0.00590278  72  ASP   B OD1  
864  O OD2  . ASP   A 60  ? 0.599718 0.34722  0.377821  0.0632289   0.0572203   0.0677984   72  ASP   B OD2  
865  H H    . ASP   A 60  ? 0.547153 0.284966 0.332453  0.0868      0.0606139   0.0861357   72  ASP   B H    
866  H HA   . ASP   A 60  ? 0.621546 0.360576 0.365425  0.077168    0.0858867   0.0999585   72  ASP   B HA   
867  H HB2  . ASP   A 60  ? 0.653483 0.415346 0.402592  0.0955953   0.0860917   0.0693526   72  ASP   B HB2  
868  H HB3  . ASP   A 60  ? 0.65509  0.412048 0.419315  0.0938077   0.0772685   0.0620433   72  ASP   B HB3  
869  N N    . ARG   A 61  ? 0.621326 0.304803 0.32784   0.125941    0.0228208   0.0579639   73  ARG   B N    
870  C CA   . ARG   A 61  ? 0.64647  0.356562 0.297013  0.156115    -0.0144736  0.078943    73  ARG   B CA   
871  C C    . ARG   A 61  ? 0.641207 0.343168 0.314891  0.159878    -0.0202284  0.0745079   73  ARG   B C    
872  O O    . ARG   A 61  ? 0.687639 0.357357 0.35309   0.214062    -0.0876272  0.0103093   73  ARG   B O    
873  C CB   . ARG   A 61  ? 0.668785 0.356641 0.28546   0.159281    -0.0111097  0.0635781   73  ARG   B CB   
874  C CG   . ARG   A 61  ? 0.685449 0.381654 0.294745  0.129616    -0.0105313  0.0877577   73  ARG   B CG   
875  C CD   . ARG   A 61  ? 0.675325 0.370128 0.277449  0.113829    -0.0339689  0.0526098   73  ARG   B CD   
876  N NE   . ARG   A 61  ? 0.632251 0.287549 0.33421   0.145431    -0.0586996  0.050504    73  ARG   B NE   
877  C CZ   . ARG   A 61  ? 0.590944 0.226833 0.290872  0.123779    -0.0381949  0.0224325   73  ARG   B CZ   
878  N NH1  . ARG   A 61  ? 0.607395 0.274352 0.335822  0.095756    -0.0360682  -0.0182184  73  ARG   B NH1  
879  N NH2  . ARG   A 61  ? 0.659233 0.232089 0.261956  0.10736     -0.00986639 0.00996077  73  ARG   B NH2  
880  H H    . ARG   A 61  ? 0.631876 0.334424 0.33366   0.11222     0.029687    0.0705262   73  ARG   B H    
881  H HA   . ARG   A 61  ? 0.640142 0.347334 0.309875  0.147114    -0.0045446  0.0714283   73  ARG   B HA   
882  H HB2  . ARG   A 61  ? 0.661273 0.36506  0.298037  0.149148    -0.0105368  0.0705347   73  ARG   B HB2  
883  H HB3  . ARG   A 61  ? 0.660357 0.365237 0.296065  0.149486    -0.0108233  0.0710882   73  ARG   B HB3  
884  H HG2  . ARG   A 61  ? 0.673234 0.374819 0.291627  0.129299    -0.0119282  0.0753026   73  ARG   B HG2  
885  H HG3  . ARG   A 61  ? 0.675137 0.375575 0.295904  0.129786    -0.0113533  0.0731159   73  ARG   B HG3  
886  H HD2  . ARG   A 61  ? 0.660439 0.354652 0.301596  0.1217      -0.0325878  0.0587162   73  ARG   B HD2  
887  H HD3  . ARG   A 61  ? 0.662144 0.354865 0.302435  0.119952    -0.0346725  0.0593985   73  ARG   B HD3  
888  H HE   . ARG   A 61  ? 0.627188 0.291082 0.313191  0.129629    -0.045871   0.0429433   73  ARG   B HE   
889  H HH11 . ARG   A 61  ? 0.601574 0.271113 0.329705  0.104466    -0.036145   -0.00762542 73  ARG   B HH11 
890  H HH12 . ARG   A 61  ? 0.603722 0.274318 0.329619  0.0967836   -0.0293706  -0.0105489  73  ARG   B HH12 
891  H HH21 . ARG   A 61  ? 0.637586 0.238418 0.278105  0.109326    -0.0175728  0.0151302   73  ARG   B HH21 
892  H HH22 . ARG   A 61  ? 0.632206 0.240454 0.280377  0.106863    -0.0137972  0.0117509   73  ARG   B HH22 
893  N N    . ASN   A 62  ? 0.638748 0.308786 0.305351  0.144143    -0.0101748  0.0569859   74  ASN   B N    
894  C CA   . ASN   A 62  ? 0.59054  0.304602 0.373696  0.119222    0.0306982   0.111109    74  ASN   B CA   
895  C C    . ASN   A 62  ? 0.540461 0.335804 0.433411  0.135261    0.0122699   0.102643    74  ASN   B C    
896  O O    . ASN   A 62  ? 0.570185 0.381377 0.488393  0.175481    0.00753997  0.110232    74  ASN   B O    
897  C CB   . ASN   A 62  ? 0.601829 0.306507 0.418483  0.131908    0.0335422   0.121535    74  ASN   B CB   
898  C CG   . ASN   A 62  ? 0.730203 0.414801 0.426838  0.0377755   0.00500627  0.118747    74  ASN   B CG   
899  O OD1  . ASN   A 62  ? 0.845091 0.496014 0.49342   0.033443    0.0386329   0.181427    74  ASN   B OD1  
900  N ND2  . ASN   A 62  ? 0.79227  0.375179 0.444447  0.0779893   -0.0384003  0.126751    74  ASN   B ND2  
901  H H    . ASN   A 62  ? 0.621861 0.319162 0.325331  0.138473    -0.00166069 0.0725972   74  ASN   B H    
902  H HA   . ASN   A 62  ? 0.591138 0.315275 0.381427  0.125353    0.0201657   0.0982689   74  ASN   B HA   
903  H HB2  . ASN   A 62  ? 0.620224 0.329993 0.413807  0.109503    0.0294731   0.114721    74  ASN   B HB2  
904  H HB3  . ASN   A 62  ? 0.612598 0.322265 0.406752  0.115275    0.0327539   0.109021    74  ASN   B HB3  
905  H HD21 . ASN   A 62  ? 0.774393 0.393142 0.444013  0.0675641   -0.0237385  0.12249     74  ASN   B HD21 
906  H HD22 . ASN   A 62  ? 0.766961 0.390477 0.45122   0.0669641   -0.0272669  0.121613    74  ASN   B HD22 
907  N N    . GLU   A 63  ? 0.606822 0.354058 0.413765  0.138566    -0.0397454  0.0948443   75  GLU   B N    
908  C CA   . GLU   A 63  ? 0.508856 0.299956 0.363177  0.13617     -0.0680496  0.0688788   75  GLU   B CA   
909  C C    . GLU   A 63  ? 0.542473 0.300742 0.33811   0.148837    -0.049551   0.0481317   75  GLU   B C    
910  O O    . GLU   A 63  ? 0.530357 0.269047 0.299022  0.110806    -0.0635135  0.0538157   75  GLU   B O    
911  C CB   . GLU   A 63  ? 0.571492 0.34796  0.310825  0.160248    -0.058512   0.069313    75  GLU   B CB   
912  C CG   . GLU   A 63  ? 0.531532 0.40382  0.338709  0.174771    -0.0543109  0.0649852   75  GLU   B CG   
913  C CD   . GLU   A 63  ? 0.584935 0.445289 0.349964  0.179826    -0.0816218  0.0602785   75  GLU   B CD   
914  O OE1  . GLU   A 63  ? 0.689615 0.455147 0.378614  0.171141    -0.0490902  0.0253196   75  GLU   B OE1  
915  O OE2  . GLU   A 63  ? 0.704395 0.551432 0.519826  0.191556    -0.117216   0.157222    75  GLU   B OE2  
916  H H    . GLU   A 63  ? 0.57509  0.345565 0.404412  0.123501    -0.0306492  0.0869084   75  GLU   B H    
917  H HA   . GLU   A 63  ? 0.536571 0.318545 0.358262  0.141208    -0.0540426  0.0670964   75  GLU   B HA   
918  H HB2  . GLU   A 63  ? 0.550243 0.349841 0.332711  0.155366    -0.0584832  0.0677238   75  GLU   B HB2  
919  H HB3  . GLU   A 63  ? 0.545494 0.346493 0.331289  0.154207    -0.057564   0.0705922   75  GLU   B HB3  
920  H HG2  . GLU   A 63  ? 0.540609 0.399941 0.337254  0.166061    -0.0570731  0.0639086   75  GLU   B HG2  
921  H HG3  . GLU   A 63  ? 0.546843 0.400544 0.337807  0.166716    -0.058379   0.0618965   75  GLU   B HG3  
922  N N    . PRO   A 64  ? 0.502888 0.2934   0.324617  0.142581    -0.0879095  0.0160345   76  PRO   B N    
923  C CA   . PRO   A 64  ? 0.502922 0.254611 0.301884  0.127471    -0.0741721  -0.0287123  76  PRO   B CA   
924  C C    . PRO   A 64  ? 0.454706 0.303436 0.274479  0.128716    -0.0754378  -0.0272935  76  PRO   B C    
925  O O    . PRO   A 64  ? 0.449688 0.302396 0.249313  0.100657    -0.0856776  0.0006367   76  PRO   B O    
926  C CB   . PRO   A 64  ? 0.507436 0.330381 0.30612   0.10618     -0.0743348  -0.0372508  76  PRO   B CB   
927  C CG   . PRO   A 64  ? 0.543511 0.345966 0.390869  0.132646    -0.0439555  -0.00030353 76  PRO   B CG   
928  C CD   . PRO   A 64  ? 0.549924 0.323854 0.359136  0.164537    -0.0861856  0.0224552   76  PRO   B CD   
929  H HA   . PRO   A 64  ? 0.491604 0.286656 0.30475   0.123832    -0.0711735  -0.0205954  76  PRO   B HA   
930  H HB2  . PRO   A 64  ? 0.503691 0.313519 0.31943   0.110301    -0.0688067  -0.0288034  76  PRO   B HB2  
931  H HB3  . PRO   A 64  ? 0.507942 0.315635 0.320287  0.113569    -0.0661909  -0.0256866  76  PRO   B HB3  
932  H HG2  . PRO   A 64  ? 0.536978 0.340759 0.365739  0.130129    -0.0573451  -0.00230721 76  PRO   B HG2  
933  H HG3  . PRO   A 64  ? 0.534855 0.343278 0.377791  0.132301    -0.0535881  0.00338508  76  PRO   B HG3  
934  H HD2  . PRO   A 64  ? 0.531328 0.324684 0.356749  0.149038    -0.076079   0.0167423   76  PRO   B HD2  
935  H HD3  . PRO   A 64  ? 0.532932 0.328894 0.35842   0.150077    -0.0745174  0.0183107   76  PRO   B HD3  
936  N N    . PHE   A 65  ? 0.394522 0.261294 0.253725  0.119616    -0.0490685  -0.0298188  77  PHE   B N    
937  C CA   . PHE   A 65  ? 0.347501 0.298303 0.217288  0.100014    -0.0265872  -0.0558745  77  PHE   B CA   
938  C C    . PHE   A 65  ? 0.331433 0.297217 0.225982  0.0993494   -0.0453094  -0.0501241  77  PHE   B C    
939  O O    . PHE   A 65  ? 0.342495 0.312375 0.202291  0.114311    -0.0427639  -0.0449062  77  PHE   B O    
940  C CB   . PHE   A 65  ? 0.330856 0.296314 0.220007  0.0837351   -0.0159057  -0.0285918  77  PHE   B CB   
941  C CG   . PHE   A 65  ? 0.314184 0.279247 0.202113  0.0908088   0.022226    -0.0240043  77  PHE   B CG   
942  C CD1  . PHE   A 65  ? 0.407288 0.310223 0.199643  0.0559983   0.016777    -0.00970527 77  PHE   B CD1  
943  C CD2  . PHE   A 65  ? 0.366457 0.294308 0.210701  0.0942417   -0.0098333  -0.00112125 77  PHE   B CD2  
944  C CE1  . PHE   A 65  ? 0.384128 0.301768 0.20917   0.0478085   -0.0141494  -0.0287784  77  PHE   B CE1  
945  C CE2  . PHE   A 65  ? 0.383899 0.288659 0.248595  0.0988679   0.0218246   -0.0209732  77  PHE   B CE2  
946  C CZ   . PHE   A 65  ? 0.375096 0.288307 0.237828  0.0767622   -0.00503425 -0.0311892  77  PHE   B CZ   
947  H H    . PHE   A 65  ? 0.393003 0.280434 0.252415  0.113743    -0.0467178  -0.034083   77  PHE   B H    
948  H HA   . PHE   A 65  ? 0.3488   0.291563 0.225448  0.0980028   -0.0320688  -0.0423503  77  PHE   B HA   
949  H HB2  . PHE   A 65  ? 0.329331 0.291529 0.217541  0.0857927   -0.00886564 -0.0318565  77  PHE   B HB2  
950  H HB3  . PHE   A 65  ? 0.329855 0.292416 0.21901   0.0865204   -0.0086705  -0.0321207  77  PHE   B HB3  
951  H HD1  . PHE   A 65  ? 0.375206 0.299513 0.206216  0.062044    0.0110132   -0.0163185  77  PHE   B HD1  
952  H HD2  . PHE   A 65  ? 0.354797 0.289674 0.220966  0.0913416   0.00462886  -0.0111549  77  PHE   B HD2  
953  H HE1  . PHE   A 65  ? 0.384234 0.300908 0.216807  0.0564382   -0.00401423 -0.0240278  77  PHE   B HE1  
954  H HE2  . PHE   A 65  ? 0.375492 0.292359 0.238629  0.0900908   0.00756399  -0.0185867  77  PHE   B HE2  
955  H HZ   . PHE   A 65  ? 0.376903 0.289723 0.233883  0.0734153   -0.00053666 -0.0281473  77  PHE   B HZ   
956  N N    . VAL   A 66  ? 0.347337 0.303399 0.231284  0.0974246   -0.0658775  -0.03304    78  VAL   B N    
957  C CA   . VAL   A 66  ? 0.317749 0.30433  0.247501  0.103273    -0.0480446  -0.00876787 78  VAL   B CA   
958  C C    . VAL   A 66  ? 0.351939 0.315187 0.262946  0.0809099   -0.0387513  0.00072782  78  VAL   B C    
959  O O    . VAL   A 66  ? 0.395962 0.349606 0.271599  0.0308537   -0.0513642  -0.0148885  78  VAL   B O    
960  C CB   . VAL   A 66  ? 0.343918 0.34947  0.367428  0.12312     -0.0409189  -0.0183155  78  VAL   B CB   
961  C CG1  . VAL   A 66  ? 0.329737 0.372112 0.397068  0.109275    -0.0723109  -0.0413588  78  VAL   B CG1  
962  C CG2  . VAL   A 66  ? 0.35453  0.348366 0.336417  0.112974    -0.0427138  -0.0295238  78  VAL   B CG2  
963  H H    . VAL   A 66  ? 0.336566 0.301885 0.238515  0.0966275   -0.0557327  -0.0310646  78  VAL   B H    
964  H HA   . VAL   A 66  ? 0.332009 0.311737 0.254223  0.0976657   -0.0453094  -0.012938   78  VAL   B HA   
965  H HB   . VAL   A 66  ? 0.337667 0.342804 0.352123  0.111345    -0.0487853  -0.0220203  78  VAL   B HB   
966  H HG11 . VAL   A 66  ? 0.334741 0.365754 0.393287  0.109782    -0.0612434  -0.0337431  78  VAL   B HG11 
967  H HG12 . VAL   A 66  ? 0.334913 0.365333 0.388245  0.109608    -0.0606635  -0.0326554  78  VAL   B HG12 
968  H HG13 . VAL   A 66  ? 0.335002 0.365495 0.388965  0.109317    -0.060737   -0.033035   78  VAL   B HG13 
969  H HG21 . VAL   A 66  ? 0.352283 0.349331 0.343985  0.111118    -0.0403727  -0.0256422  78  VAL   B HG21 
970  H HG22 . VAL   A 66  ? 0.351603 0.348707 0.343135  0.111893    -0.0409575  -0.0254525  78  VAL   B HG22 
971  H HG23 . VAL   A 66  ? 0.351649 0.349246 0.340151  0.112187    -0.0407443  -0.02526    78  VAL   B HG23 
972  N N    . PHE   A 67  ? 0.317948 0.275801 0.246263  0.0593305   -0.0150431  -0.00960325 79  PHE   B N    
973  C CA   . PHE   A 67  ? 0.312724 0.296252 0.261632  0.0358908   -0.07527    -0.0342167  79  PHE   B CA   
974  C C    . PHE   A 67  ? 0.278798 0.297622 0.287792  0.0493113   -0.0629398  -0.0156095  79  PHE   B C    
975  O O    . PHE   A 67  ? 0.291306 0.432379 0.299358  0.101054    -0.0712336  -0.0220884  79  PHE   B O    
976  C CB   . PHE   A 67  ? 0.301929 0.293235 0.243811  0.0424878   -0.0342848  -0.031119   79  PHE   B CB   
977  C CG   . PHE   A 67  ? 0.237212 0.291309 0.238883  0.0520588   -0.0298416  -0.0365085  79  PHE   B CG   
978  C CD1  . PHE   A 67  ? 0.284426 0.291046 0.274359  0.053925    -0.0237886  -0.0288349  79  PHE   B CD1  
979  C CD2  . PHE   A 67  ? 0.259688 0.314331 0.256565  0.0454951   -0.05429    -0.0341767  79  PHE   B CD2  
980  C CE1  . PHE   A 67  ? 0.242821 0.326531 0.240074  0.0633239   -0.0554668  -0.0406957  79  PHE   B CE1  
981  C CE2  . PHE   A 67  ? 0.244064 0.333131 0.264833  0.0381194   -0.0270001  -0.027238   79  PHE   B CE2  
982  C CZ   . PHE   A 67  ? 0.259889 0.316637 0.264238  0.0604239   -0.0110496  -0.0388918  79  PHE   B CZ   
983  H H    . PHE   A 67  ? 0.320537 0.288525 0.244831  0.0587837   -0.0290593  -0.0149503  79  PHE   B H    
984  H HA   . PHE   A 67  ? 0.305234 0.29288  0.257337  0.0430986   -0.0529959  -0.0243283  79  PHE   B HA   
985  H HB2  . PHE   A 67  ? 0.287942 0.293147 0.247791  0.0422369   -0.040788   -0.0317044  79  PHE   B HB2  
986  H HB3  . PHE   A 67  ? 0.288428 0.293333 0.247769  0.0425589   -0.0409208  -0.031972   79  PHE   B HB3  
987  H HD1  . PHE   A 67  ? 0.262547 0.295222 0.257001  0.0533666   -0.0316932  -0.0310902  79  PHE   B HD1  
988  H HD2  . PHE   A 67  ? 0.251737 0.310417 0.253877  0.0438836   -0.0410062  -0.0331932  79  PHE   B HD2  
989  H HE1  . PHE   A 67  ? 0.255168 0.311618 0.250632  0.0568892   -0.0382748  -0.039141   79  PHE   B HE1  
990  H HE2  . PHE   A 67  ? 0.252481 0.324379 0.2631    0.0443315   -0.029002   -0.0311275  79  PHE   B HE2  
991  H HZ   . PHE   A 67  ? 0.253331 0.321787 0.26529   0.0540219   -0.0235394  -0.0369503  79  PHE   B HZ   
992  N N    . SER   A 68  ? 0.263212 0.362518 0.323821  0.0535144   -0.100728   -0.0156289  80  SER   B N    
993  C CA   . SER   A 68  ? 0.202303 0.368982 0.348235  0.0554424   -0.043583   -0.0214807  80  SER   B CA   
994  C C    . SER   A 68  ? 0.212277 0.399831 0.384698  0.0394384   -0.0804879  -0.0155656  80  SER   B C    
995  O O    . SER   A 68  ? 0.272903 0.344442 0.420658  0.0636788   -0.0595632  0.00659798  80  SER   B O    
996  C CB   . SER   A 68  ? 0.306406 0.405651 0.366949  0.0688165   -0.118768   -0.00046316 80  SER   B CB   
997  O OG   . SER   A 68  ? 0.354425 0.445843 0.418157  0.062935    -0.153623   -0.0334001  80  SER   B OG   
998  H H    . SER   A 68  ? 0.259293 0.346918 0.328208  0.050574    -0.079457   -0.0142766  80  SER   B H    
999  H HA   . SER   A 68  ? 0.230418 0.371842 0.34221   0.059884    -0.0632239  -0.0217824  80  SER   B HA   
1000 H HB2  . SER   A 68  ? 0.293799 0.406101 0.377064  0.0604188   -0.106272   -0.00971076 80  SER   B HB2  
1001 H HB3  . SER   A 68  ? 0.293014 0.405273 0.374057  0.0637273   -0.104682   -0.012962   80  SER   B HB3  
1002 H HG   . SER   A 68  ? 0.404145 0.404145 0.404145  0           0           0           80  SER   B HG   
1003 N N    . LEU   A 69  ? 0.256537 0.460426 0.428706  0.0560716   -0.0929649  0.0326158   81  LEU   B N    
1004 C CA   . LEU   A 69  ? 0.229092 0.404711 0.468473  0.0608753   -0.0669555  0.0645814   81  LEU   B CA   
1005 C C    . LEU   A 69  ? 0.222961 0.493493 0.553554  0.0140503   -0.0932758  0.0752307   81  LEU   B C    
1006 O O    . LEU   A 69  ? 0.255407 0.510928 0.629032  -0.0357745  -0.180799   0.175771    81  LEU   B O    
1007 C CB   . LEU   A 69  ? 0.299942 0.489623 0.492161  0.0193371   -0.0626933  0.0805134   81  LEU   B CB   
1008 C CG   . LEU   A 69  ? 0.321714 0.462023 0.439336  -0.0135058  -0.0565182  0.090598    81  LEU   B CG   
1009 C CD1  . LEU   A 69  ? 0.289958 0.385731 0.396138  0.00932552  -0.0495235  0.0485385   81  LEU   B CD1  
1010 C CD2  . LEU   A 69  ? 0.323253 0.577094 0.515978  -0.00694888 -0.0741569  0.0214901   81  LEU   B CD2  
1011 H H    . LEU   A 69  ? 0.252077 0.433923 0.423998  0.0455455   -0.0841103  0.0295596   81  LEU   B H    
1012 H HA   . LEU   A 69  ? 0.239702 0.442856 0.475788  0.0422818   -0.0711336  0.0622579   81  LEU   B HA   
1013 H HB2  . LEU   A 69  ? 0.293109 0.472415 0.473307  0.0242925   -0.0596716  0.079047    81  LEU   B HB2  
1014 H HB3  . LEU   A 69  ? 0.298996 0.462869 0.473164  0.0238688   -0.0603365  0.0776114   81  LEU   B HB3  
1015 H HG   . LEU   A 69  ? 0.314035 0.466455 0.449651  -0.00100901 -0.0568531  0.0674272   81  LEU   B HG   
1016 H HD11 . LEU   A 69  ? 0.298017 0.401641 0.400145  0.00420957  -0.0464597  0.0573202   81  LEU   B HD11 
1017 H HD12 . LEU   A 69  ? 0.299485 0.401818 0.403358  0.00427113  -0.050279   0.0593355   81  LEU   B HD12 
1018 H HD13 . LEU   A 69  ? 0.300058 0.393258 0.404503  0.00295772  -0.0493717  0.055632    81  LEU   B HD13 
1019 H HD21 . LEU   A 69  ? 0.333806 0.541472 0.49238   -0.0130286  -0.0655442  0.045463    81  LEU   B HD21 
1020 H HD22 . LEU   A 69  ? 0.331371 0.548403 0.490365  -0.0101028  -0.0642163  0.0443346   81  LEU   B HD22 
1021 H HD23 . LEU   A 69  ? 0.334657 0.543967 0.497746  -0.0145177  -0.058279   0.0369825   81  LEU   B HD23 
1022 N N    . GLY   A 70  ? 0.211304 0.483356 0.551589  -0.00140792 -0.0507361  0.0895843   82  GLY   B N    
1023 C CA   . GLY   A 70  ? 0.297199 0.444504 0.608735  -0.0315881  -0.0132839  0.121184    82  GLY   B CA   
1024 C C    . GLY   A 70  ? 0.340718 0.36655  0.68455   -0.0408759  -0.0167944  0.0369576   82  GLY   B C    
1025 O O    . GLY   A 70  ? 0.436127 0.379134 0.878141  -0.0509484  0.0162422   -0.00034873 82  GLY   B O    
1026 H H    . GLY   A 70  ? 0.226162 0.473568 0.555444  -0.00740746 -0.0520979  0.0895368   82  GLY   B H    
1027 H HA2  . GLY   A 70  ? 0.294991 0.440494 0.605297  -0.0264577  -0.0190355  0.0921222   82  GLY   B HA2  
1028 H HA3  . GLY   A 70  ? 0.286552 0.440268 0.603505  -0.0262725  -0.0188625  0.0955421   82  GLY   B HA3  
1029 N N    . LYS   A 71  ? 0.320993 0.405468 0.674507  -0.0661589  0.0498124   -0.00354746 83  LYS   B N    
1030 C CA   . LYS   A 71  ? 0.389395 0.373416 0.634963  0.00199543  0.0462635   -0.102366   83  LYS   B CA   
1031 C C    . LYS   A 71  ? 0.399051 0.466642 0.642683  -0.0581313  0.00014161  -0.0846375  83  LYS   B C    
1032 O O    . LYS   A 71  ? 0.603616 0.524094 0.550394  -0.0306912  0.0635636   -0.123773   83  LYS   B O    
1033 C CB   . LYS   A 71  ? 0.432039 0.407448 0.610397  -0.0255653  -0.0543818  -0.11371    83  LYS   B CB   
1034 H H    . LYS   A 71  ? 0.345233 0.391435 0.659832  -0.0421702  0.030515    -0.0141065  83  LYS   B H    
1035 H HA   . LYS   A 71  ? 0.390501 0.406838 0.635726  -0.0238228  0.0210605   -0.0773402  83  LYS   B HA   
1036 H HB2  . LYS   A 71  ? 0.469117 0.469117 0.469117  0           0           0           83  LYS   B HB2  
1037 H HB3  . LYS   A 71  ? 0.469117 0.469117 0.469117  0           0           0           83  LYS   B HB3  
1038 N N    . GLY   A 72  ? 0.415639 0.433197 0.629431  -0.0161235  -0.0251609  -0.0971266  84  GLY   B N    
1039 C CA   . GLY   A 72  ? 0.477041 0.42353  0.563623  0.00518472  -0.0198519  -0.0871253  84  GLY   B CA   
1040 C C    . GLY   A 72  ? 0.442455 0.325366 0.508496  0.0363344   -0.0501232  -0.106067   84  GLY   B C    
1041 O O    . GLY   A 72  ? 0.510212 0.389614 0.471716  0.0688441   -0.0234673  -0.123544   84  GLY   B O    
1042 H H    . GLY   A 72  ? 0.42549  0.439915 0.618989  -0.0205862  -0.0158642  -0.0864162  84  GLY   B H    
1043 H HA2  . GLY   A 72  ? 0.460662 0.404738 0.56749   0.00774444  -0.0218523  -0.0903483  84  GLY   B HA2  
1044 H HA3  . GLY   A 72  ? 0.456524 0.413976 0.566104  0.00835293  -0.025686   -0.0849247  84  GLY   B HA3  
1045 N N    . GLN   A 73  ? 0.326181 0.32072  0.399113  0.030915    -0.0857882  -0.105933   85  GLN   B N    
1046 C CA   . GLN   A 73  ? 0.338198 0.361587 0.290243  0.0562567   -0.0860799  -0.0378996  85  GLN   B CA   
1047 C C    . GLN   A 73  ? 0.312376 0.325706 0.264222  0.0657678   -0.0736793  -0.00719187 85  GLN   B C    
1048 O O    . GLN   A 73  ? 0.398901 0.384392 0.256799  0.0339705   -0.0623566  -0.00149097 85  GLN   B O    
1049 C CB   . GLN   A 73  ? 0.334649 0.398054 0.289926  0.0849959   -0.0922529  -0.073833   85  GLN   B CB   
1050 C CG   . GLN   A 73  ? 0.379339 0.416689 0.344204  0.077514    -0.0980552  -0.108502   85  GLN   B CG   
1051 C CD   . GLN   A 73  ? 0.381049 0.45106  0.397466  0.0909521   -0.132391   -0.0981603  85  GLN   B CD   
1052 O OE1  . GLN   A 73  ? 0.439931 0.395869 0.329177  0.112404    -0.12712    -0.110687   85  GLN   B OE1  
1053 N NE2  . GLN   A 73  ? 0.421611 0.518052 0.514657  0.0811585   -0.167593   -0.104064   85  GLN   B NE2  
1054 H H    . GLN   A 73  ? 0.349486 0.333449 0.390546  0.0373053   -0.0751862  -0.0855389  85  GLN   B H    
1055 H HA   . GLN   A 73  ? 0.331224 0.351666 0.303252  0.0569708   -0.0813926  -0.0509627  85  GLN   B HA   
1056 H HB2  . GLN   A 73  ? 0.345156 0.391452 0.295792  0.0747505   -0.08791    -0.0719697  85  GLN   B HB2  
1057 H HB3  . GLN   A 73  ? 0.345059 0.392983 0.301392  0.0751377   -0.0890946  -0.070935   85  GLN   B HB3  
1058 H HG2  . GLN   A 73  ? 0.368861 0.41811  0.342743  0.0798097   -0.100492   -0.0949121  85  GLN   B HG2  
1059 H HG3  . GLN   A 73  ? 0.368733 0.418163 0.343207  0.0797288   -0.100629   -0.0950616  85  GLN   B HG3  
1060 H HE21 . GLN   A 73  ? 0.41853  0.501707 0.474026  0.0748868   -0.151986   -0.0961841  85  GLN   B HE21 
1061 H HE22 . GLN   A 73  ? 0.41125  0.505892 0.47585   0.0813658   -0.150035   -0.0916919  85  GLN   B HE22 
1062 N N    . VAL   A 74  ? 0.262186 0.325926 0.23188   0.0664682   -0.044212   0.0178068   86  VAL   B N    
1063 C CA   . VAL   A 74  ? 0.251756 0.252221 0.223979  0.0761269   -0.0165315  -0.00789485 86  VAL   B CA   
1064 C C    . VAL   A 74  ? 0.238552 0.246273 0.158399  0.0355637   -0.00650141 -0.014595   86  VAL   B C    
1065 O O    . VAL   A 74  ? 0.272331 0.264285 0.187137  0.0303421   -0.0371021  -0.0192269  86  VAL   B O    
1066 C CB   . VAL   A 74  ? 0.259977 0.248926 0.232113  0.0881581   -0.0226135  -0.00765144 86  VAL   B CB   
1067 C CG1  . VAL   A 74  ? 0.264628 0.283505 0.247592  0.0909286   0.0026015   0.0083299   86  VAL   B CG1  
1068 C CG2  . VAL   A 74  ? 0.264153 0.286677 0.229547  0.0769363   -0.0251794  0.00669106  86  VAL   B CG2  
1069 H H    . VAL   A 74  ? 0.270819 0.303892 0.239703  0.0649508   -0.0415922  0.00443248  86  VAL   B H    
1070 H HA   . VAL   A 74  ? 0.253305 0.262524 0.213322  0.0665397   -0.0211559  -0.00541301 86  VAL   B HA   
1071 H HB   . VAL   A 74  ? 0.257696 0.261264 0.232254  0.0815204   -0.0178401  -0.00242397 86  VAL   B HB   
1072 H HG11 . VAL   A 74  ? 0.266837 0.271865 0.24552   0.0874816   -0.0026224  0.00425837  86  VAL   B HG11 
1073 H HG12 . VAL   A 74  ? 0.263154 0.27159  0.243911  0.086777    -0.00401284 0.00442535  86  VAL   B HG12 
1074 H HG13 . VAL   A 74  ? 0.263944 0.273021 0.247011  0.0868701   -0.00504766 0.00589445  86  VAL   B HG13 
1075 H HG21 . VAL   A 74  ? 0.263167 0.277275 0.234642  0.076862    -0.0239027  0.00420363  86  VAL   B HG21 
1076 H HG22 . VAL   A 74  ? 0.26349  0.278587 0.232238  0.0756257   -0.0229162  0.00125014  86  VAL   B HG22 
1077 H HG23 . VAL   A 74  ? 0.263102 0.276275 0.232279  0.0770558   -0.0236447  0.00251019  86  VAL   B HG23 
1078 N N    . ILE   A 75  ? 0.235651 0.220174 0.194411  0.0522904   -0.026663   -0.0320303  87  ILE   B N    
1079 C CA   . ILE   A 75  ? 0.222409 0.201906 0.153095  0.0231201   -0.00290394 -0.0171597  87  ILE   B CA   
1080 C C    . ILE   A 75  ? 0.211725 0.211972 0.156767  0.0164948   -0.00536554 -0.0223595  87  ILE   B C    
1081 O O    . ILE   A 75  ? 0.233918 0.228021 0.156106  0.0470676   -0.0134181  -0.018946   87  ILE   B O    
1082 C CB   . ILE   A 75  ? 0.215284 0.211968 0.146913  0.037709    -0.00275011 0.00909968  87  ILE   B CB   
1083 C CG1  . ILE   A 75  ? 0.219764 0.215711 0.139977  0.0233342   0.00526927  0.00436153  87  ILE   B CG1  
1084 C CG2  . ILE   A 75  ? 0.22944  0.22602  0.16346   0.0335496   0.0205374   0.00610843  87  ILE   B CG2  
1085 C CD1  . ILE   A 75  ? 0.208386 0.221727 0.167053  0.0244042   0.0121005   0.00634928  87  ILE   B CD1  
1086 H H    . ILE   A 75  ? 0.233513 0.225413 0.176613  0.0421945   -0.0154129  -0.0229537  87  ILE   B H    
1087 H HA   . ILE   A 75  ? 0.220823 0.205982 0.158351  0.029124    -0.00702265 -0.0180921  87  ILE   B HA   
1088 H HB   . ILE   A 75  ? 0.218215 0.207621 0.148996  0.0329352   0.00159157  0.0054813   87  ILE   B HB   
1089 H HG12 . ILE   A 75  ? 0.215779 0.216122 0.149219  0.026128    0.00493768  0.00519582  87  ILE   B HG12 
1090 H HG13 . ILE   A 75  ? 0.21464  0.215639 0.147608  0.0259076   0.0061445   0.00588533  87  ILE   B HG13 
1091 H HG21 . ILE   A 75  ? 0.227664 0.222206 0.160503  0.0339982   0.0142367   0.00675382  87  ILE   B HG21 
1092 H HG22 . ILE   A 75  ? 0.22578  0.224376 0.161492  0.0324892   0.0142871   0.00494908  87  ILE   B HG22 
1093 H HG23 . ILE   A 75  ? 0.225291 0.223151 0.160761  0.0336193   0.0135487   0.00733211  87  ILE   B HG23 
1094 H HD11 . ILE   A 75  ? 0.211822 0.220564 0.160881  0.0230455   0.00993988  0.00542142  87  ILE   B HD11 
1095 H HD12 . ILE   A 75  ? 0.211725 0.221131 0.161728  0.0233352   0.00979515  0.00685803  87  ILE   B HD12 
1096 H HD13 . ILE   A 75  ? 0.211999 0.220005 0.161133  0.0234938   0.00965935  0.00571729  87  ILE   B HD13 
1097 N N    . LYS   A 76  ? 0.225738 0.205223 0.179974  0.0318812   0.00870655  -0.0185879  88  LYS   B N    
1098 C CA   . LYS   A 76  ? 0.23431  0.227847 0.173654  0.0186956   0.00265526  -0.0229619  88  LYS   B CA   
1099 C C    . LYS   A 76  ? 0.198551 0.205834 0.172486  0.05245     -0.00957336 -0.0119813  88  LYS   B C    
1100 O O    . LYS   A 76  ? 0.200478 0.242233 0.169345  0.0422781   0.00104426  -0.0142472  88  LYS   B O    
1101 C CB   . LYS   A 76  ? 0.296949 0.231612 0.245563  0.0118449   -0.0236351  -0.0447925  88  LYS   B CB   
1102 H H    . LYS   A 76  ? 0.222187 0.210851 0.172086  0.0255516   0.00490371  -0.0209608  88  LYS   B H    
1103 H HA   . LYS   A 76  ? 0.234295 0.219355 0.186181  0.0264848   -0.00245406 -0.0225173  88  LYS   B HA   
1104 H HB2  . LYS   A 76  ? 0.259382 0.259382 0.259382  0           0           0           88  LYS   B HB2  
1105 H HB3  . LYS   A 76  ? 0.259382 0.259382 0.259382  0           0           0           88  LYS   B HB3  
1106 N N    . ALA   A 77  ? 0.2006   0.224097 0.159877  0.0413563   0.00097397  -0.0096802  89  ALA   B N    
1107 C CA   . ALA   A 77  ? 0.207303 0.211704 0.15323   0.0303241   -0.00629569 -0.00209688 89  ALA   B CA   
1108 C C    . ALA   A 77  ? 0.195703 0.200521 0.151444  0.0317343   -0.00030702 0.00666562  89  ALA   B C    
1109 O O    . ALA   A 77  ? 0.208272 0.241189 0.14734   0.0355564   0.00546236  -0.00933868 89  ALA   B O    
1110 C CB   . ALA   A 77  ? 0.188297 0.237561 0.170195  0.0381889   0.00557457  -0.0051353  89  ALA   B CB   
1111 H H    . ALA   A 77  ? 0.200022 0.216431 0.161132  0.0402493   -0.00107663 -0.00866677 89  ALA   B H    
1112 H HA   . ALA   A 77  ? 0.200339 0.214677 0.157005  0.0329625   -0.00122982 -0.00124637 89  ALA   B HA   
1113 H HB1  . ALA   A 77  ? 0.195057 0.228541 0.166871  0.0345294   0.00199373  -0.00419244 89  ALA   B HB1  
1114 H HB2  . ALA   A 77  ? 0.195206 0.229697 0.168498  0.0351429   0.00151529  -0.00541575 89  ALA   B HB2  
1115 H HB3  . ALA   A 77  ? 0.195152 0.228978 0.169184  0.0350062   0.00228632  -0.00313712 89  ALA   B HB3  
1116 N N    . TRP   A 78  ? 0.209373 0.232417 0.154154  0.0430243   0.024413    0.00885728  90  TRP   B N    
1117 C CA   . TRP   A 78  ? 0.229542 0.196884 0.15138   0.0325203   -0.0103918  -0.0201259  90  TRP   B CA   
1118 C C    . TRP   A 78  ? 0.219146 0.225482 0.149941  0.0357711   -0.0194034  -0.0134009  90  TRP   B C    
1119 O O    . TRP   A 78  ? 0.243236 0.261206 0.183155  0.0304395   0.00436462  -0.0223991  90  TRP   B O    
1120 C CB   . TRP   A 78  ? 0.226557 0.220383 0.156941  0.0446215   0.00690497  -0.005578   90  TRP   B CB   
1121 C CG   . TRP   A 78  ? 0.218022 0.225376 0.139185  0.0353523   0.0133852   -0.00057429 90  TRP   B CG   
1122 C CD1  . TRP   A 78  ? 0.22667  0.206572 0.153602  0.0422417   0.00917554  -0.0110181  90  TRP   B CD1  
1123 C CD2  . TRP   A 78  ? 0.22539  0.207244 0.155744  0.0472197   0.0107294   -0.0109916  90  TRP   B CD2  
1124 N NE1  . TRP   A 78  ? 0.230225 0.231261 0.154569  0.0339791   0.0177107   0.00892364  90  TRP   B NE1  
1125 C CE2  . TRP   A 78  ? 0.246597 0.203346 0.145588  0.0393817   0.0147997   0.00046677  90  TRP   B CE2  
1126 C CE3  . TRP   A 78  ? 0.23448  0.219735 0.179336  0.043958    -0.00781511 -0.0115969  90  TRP   B CE3  
1127 C CZ2  . TRP   A 78  ? 0.253863 0.188364 0.196111  0.0257003   0.0123734   -0.0254076  90  TRP   B CZ2  
1128 C CZ3  . TRP   A 78  ? 0.251656 0.212243 0.207057  0.0353991   0.011473    -0.0114742  90  TRP   B CZ3  
1129 C CH2  . TRP   A 78  ? 0.248882 0.237181 0.222521  0.0417611   0.00951496  -0.0208845  90  TRP   B CH2  
1130 H H    . TRP   A 78  ? 0.210259 0.214517 0.151538  0.0370887   0.0109353   0.00079742  90  TRP   B H    
1131 H HA   . TRP   A 78  ? 0.221386 0.208633 0.146709  0.034312    -0.00493899 -0.0148095  90  TRP   B HA   
1132 H HB2  . TRP   A 78  ? 0.224542 0.216241 0.15527   0.0383429   0.00395193  -0.00607044 90  TRP   B HB2  
1133 H HB3  . TRP   A 78  ? 0.223866 0.215437 0.153506  0.0387376   0.0040114   -0.00717799 90  TRP   B HB3  
1134 H HD1  . TRP   A 78  ? 0.223807 0.212079 0.15171   0.0397194   0.0112784   -0.00327423 90  TRP   B HD1  
1135 H HE1  . TRP   A 78  ? 0.231652 0.217826 0.153853  0.0358625   0.0140971   0.00177292  90  TRP   B HE1  
1136 H HE3  . TRP   A 78  ? 0.234872 0.215098 0.18037   0.0411913   0.00116956  -0.0110089  90  TRP   B HE3  
1137 H HZ2  . TRP   A 78  ? 0.246878 0.201858 0.189321  0.0301654   0.0115312   -0.0173142  90  TRP   B HZ2  
1138 H HZ3  . TRP   A 78  ? 0.248608 0.220426 0.203286  0.0363822   0.00682597  -0.0136233  90  TRP   B HZ3  
1139 H HH2  . TRP   A 78  ? 0.250766 0.229823 0.21139   0.0356152   0.0100626   -0.0197969  90  TRP   B HH2  
1140 N N    . ASP   A 79  ? 0.215876 0.237702 0.161074  0.0301694   -0.0122136  -0.020675   91  ASP   B N    
1141 C CA   . ASP   A 79  ? 0.221382 0.257029 0.186245  0.0111654   -0.0198763  -0.0186065  91  ASP   B CA   
1142 C C    . ASP   A 79  ? 0.209662 0.277744 0.202155  0.0186619   -0.0150741  -0.00299519 91  ASP   B C    
1143 O O    . ASP   A 79  ? 0.235651 0.339393 0.244642  0.0297276   0.026567    0.0243446   91  ASP   B O    
1144 C CB   . ASP   A 79  ? 0.219671 0.287593 0.20235   -0.0054637  -0.0261871  -0.0244886  91  ASP   B CB   
1145 C CG   . ASP   A 79  ? 0.254782 0.303112 0.208872  -0.0149821  -0.0087768  -0.00062324 91  ASP   B CG   
1146 O OD1  . ASP   A 79  ? 0.278285 0.344286 0.221038  0.00060792  -0.0568614  0.0112426   91  ASP   B OD1  
1147 O OD2  . ASP   A 79  ? 0.342657 0.380978 0.217981  -0.0443759  -0.0396625  -0.0526367  91  ASP   B OD2  
1148 H H    . ASP   A 79  ? 0.216132 0.237157 0.162612  0.0278816   -0.0126716  -0.0191987  91  ASP   B H    
1149 H HA   . ASP   A 79  ? 0.219031 0.261254 0.187376  0.0130405   -0.0178756  -0.016531   91  ASP   B HA   
1150 H HB2  . ASP   A 79  ? 0.227315 0.28155  0.200592  -0.00272362 -0.0202125  -0.0174548  91  ASP   B HB2  
1151 H HB3  . ASP   A 79  ? 0.228061 0.28229  0.201082  -0.00240351 -0.0206018  -0.0176438  91  ASP   B HB3  
1152 N N    . ILE   A 80  ? 0.19459  0.234179 0.20806   0.0207563   0.00800182  -0.00906697 92  ILE   B N    
1153 C CA   . ILE   A 80  ? 0.218237 0.230307 0.182995  -0.0206379  0.0157801   -0.00442605 92  ILE   B CA   
1154 C C    . ILE   A 80  ? 0.215507 0.245084 0.211723  0.0125979   0.0225594   -0.00192171 92  ILE   B C    
1155 O O    . ILE   A 80  ? 0.215409 0.274638 0.170824  -0.00599521 0.0231611   -0.0210237  92  ILE   B O    
1156 C CB   . ILE   A 80  ? 0.270652 0.233127 0.1867    0.0241429   0.0155223   -0.01077    92  ILE   B CB   
1157 C CG1  . ILE   A 80  ? 0.322442 0.194219 0.207977  0.0237665   0.00935597  0.0144764   92  ILE   B CG1  
1158 C CG2  . ILE   A 80  ? 0.283083 0.265431 0.210401  0.0437727   0.0264676   0.013429    92  ILE   B CG2  
1159 C CD1  . ILE   A 80  ? 0.313486 0.20468  0.232782  0.00521654  0.0327755   0.0157422   92  ILE   B CD1  
1160 H H    . ILE   A 80  ? 0.202495 0.241147 0.19789   0.0121609   0.00774594  -0.00735799 92  ILE   B H    
1161 H HA   . ILE   A 80  ? 0.212002 0.230442 0.193299  -0.00409889 0.0173404   -0.00414715 92  ILE   B HA   
1162 H HB   . ILE   A 80  ? 0.270368 0.231955 0.194708  0.0195538   0.0144427   -0.00159274 92  ILE   B HB   
1163 H HG12 . ILE   A 80  ? 0.307241 0.208757 0.209561  0.020976    0.0142015   0.00795518  92  ILE   B HG12 
1164 H HG13 . ILE   A 80  ? 0.304029 0.207985 0.206453  0.0200814   0.0139751   0.0093161   92  ILE   B HG13 
1165 H HG21 . ILE   A 80  ? 0.278948 0.255448 0.204781  0.0366272   0.0225467   0.00675437  92  ILE   B HG21 
1166 H HG22 . ILE   A 80  ? 0.279972 0.256307 0.204889  0.0377502   0.021715    0.00628472  92  ILE   B HG22 
1167 H HG23 . ILE   A 80  ? 0.278753 0.261167 0.206568  0.0384528   0.0234184   0.00995377  92  ILE   B HG23 
1168 H HD11 . ILE   A 80  ? 0.312339 0.202533 0.226462  0.00905041  0.0273066   0.016207    92  ILE   B HD11 
1169 H HD12 . ILE   A 80  ? 0.314147 0.204582 0.227737  0.0106413   0.0262844   0.0158193   92  ILE   B HD12 
1170 H HD13 . ILE   A 80  ? 0.314431 0.204473 0.231011  0.0101418   0.0276756   0.0139883   92  ILE   B HD13 
1171 N N    . GLY   A 81  ? 0.215105 0.230026 0.174079  0.00677674  0.0202547   -0.0220641  93  GLY   B N    
1172 C CA   . GLY   A 81  ? 0.204919 0.229687 0.169363  -0.00070096 0.0109615   -0.00734847 93  GLY   B CA   
1173 C C    . GLY   A 81  ? 0.174629 0.220364 0.171888  0.00109024  0.0161605   -0.00156109 93  GLY   B C    
1174 O O    . GLY   A 81  ? 0.215604 0.225517 0.18007   -0.0180032  0.0251754   -0.0247348  93  GLY   B O    
1175 H H    . GLY   A 81  ? 0.21143  0.232147 0.177811  0.00632064  0.0199461   -0.0135971  93  GLY   B H    
1176 H HA2  . GLY   A 81  ? 0.200586 0.227102 0.171027  0.00207625  0.0133655   -0.00825851 93  GLY   B HA2  
1177 H HA3  . GLY   A 81  ? 0.201413 0.227189 0.172068  0.00225004  0.0134273   -0.00909087 93  GLY   B HA3  
1178 N N    . VAL   A 82  ? 0.198445 0.24573  0.183061  0.00714328  0.0237524   -0.00415423 94  VAL   B N    
1179 C CA   . VAL   A 82  ? 0.22075  0.218148 0.190655  0.00704991  0.00360265  -0.0265214  94  VAL   B CA   
1180 C C    . VAL   A 82  ? 0.204675 0.243275 0.226728  0.00892763  -0.0167676  -0.0214895  94  VAL   B C    
1181 O O    . VAL   A 82  ? 0.217355 0.289642 0.212529  0.0208343   0.00550438  -0.0349543  94  VAL   B O    
1182 C CB   . VAL   A 82  ? 0.22628  0.223485 0.212596  0.0292071   -0.00265316 -0.0219785  94  VAL   B CB   
1183 C CG1  . VAL   A 82  ? 0.255974 0.269385 0.209675  0.0620181   0.00430362  -0.00931205 94  VAL   B CG1  
1184 C CG2  . VAL   A 82  ? 0.25097  0.237028 0.202977  0.0276111   -0.0102659  -0.0246826  94  VAL   B CG2  
1185 H H    . VAL   A 82  ? 0.19884  0.232112 0.184333  0.00586447  0.0161182   -0.00817045 94  VAL   B H    
1186 H HA   . VAL   A 82  ? 0.213015 0.223911 0.196583  0.00841174  0.00100989  -0.0231579  94  VAL   B HA   
1187 H HB   . VAL   A 82  ? 0.233077 0.230156 0.205036  0.0286177   -0.00175749 -0.0214352  94  VAL   B HB   
1188 H HG11 . VAL   A 82  ? 0.247242 0.257265 0.21597   0.0520221   0.00275649  -0.00916929 94  VAL   B HG11 
1189 H HG12 . VAL   A 82  ? 0.251303 0.255963 0.2133    0.05331     0.00045001  -0.0129328  94  VAL   B HG12 
1190 H HG13 . VAL   A 82  ? 0.247083 0.254824 0.212495  0.0512597   0.00143413  -0.0115362  94  VAL   B HG13 
1191 H HG21 . VAL   A 82  ? 0.243423 0.233119 0.20614   0.0266938   -0.00776561 -0.0224527  94  VAL   B HG21 
1192 H HG22 . VAL   A 82  ? 0.24446  0.23474  0.206403  0.0248851   -0.00752308 -0.0225076  94  VAL   B HG22 
1193 H HG23 . VAL   A 82  ? 0.243401 0.233008 0.206476  0.0265013   -0.00772253 -0.0230205  94  VAL   B HG23 
1194 N N    . ALA   A 83  ? 0.190975 0.235094 0.188143  0.00331076  -0.0110918  -0.0293236  95  ALA   B N    
1195 C CA   . ALA   A 83  ? 0.217219 0.258019 0.211856  0.00204197  0.00213492  -0.0159156  95  ALA   B CA   
1196 C C    . ALA   A 83  ? 0.171355 0.295813 0.206743  -0.00990555 0.0164957   -0.0207636  95  ALA   B C    
1197 O O    . ALA   A 83  ? 0.186038 0.364497 0.236663  -0.00926437 0.023042    -0.0250379  95  ALA   B O    
1198 C CB   . ALA   A 83  ? 0.218594 0.29394  0.208754  -0.0117012  0.00970471  -0.0413733  95  ALA   B CB   
1199 H H    . ALA   A 83  ? 0.197379 0.23817  0.198616  0.00633628  -0.00640636 -0.0260892  95  ALA   B H    
1200 H HA   . ALA   A 83  ? 0.204796 0.264857 0.205702  -0.00232648 0.0033925   -0.0234529  95  ALA   B HA   
1201 H HB1  . ALA   A 83  ? 0.219846 0.282342 0.210234  -0.00771297 0.00723483  -0.0326196  95  ALA   B HB1  
1202 H HB2  . ALA   A 83  ? 0.222536 0.283292 0.210927  -0.00933977 0.00812915  -0.0330583  95  ALA   B HB2  
1203 H HB3  . ALA   A 83  ? 0.21996  0.282297 0.210787  -0.00765024 0.007375    -0.0326313  95  ALA   B HB3  
1204 N N    . THR   A 84  ? 0.190597 0.302533 0.177251  -0.00015165 0.0046838   -0.0129681  96  THR   B N    
1205 C CA   . THR   A 84  ? 0.217614 0.32599  0.165961  -0.00749872 0.024541    -0.00927104 96  THR   B CA   
1206 C C    . THR   A 84  ? 0.202783 0.303905 0.178127  -0.0119799  0.0342038   -0.00869924 96  THR   B C    
1207 O O    . THR   A 84  ? 0.294006 0.360562 0.166662  0.00746469  0.038397    -0.0410413  96  THR   B O    
1208 C CB   . THR   A 84  ? 0.223122 0.292132 0.170046  -0.00968281 0.024694    -1.556e-05  96  THR   B CB   
1209 O OG1  . THR   A 84  ? 0.224339 0.270272 0.197614  -0.0207045  0.0318188   -0.00626564 96  THR   B OG1  
1210 C CG2  . THR   A 84  ? 0.266809 0.300102 0.18567   -0.0211549  0.0149645   -0.00184909 96  THR   B CG2  
1211 H H    . THR   A 84  ? 0.19519  0.301721 0.184895  -0.00351458 0.0104484   -0.0132439  96  THR   B H    
1212 H HA   . THR   A 84  ? 0.212626 0.310095 0.174755  -0.00554742 0.021002    -0.00852471 96  THR   B HA   
1213 H HB   . THR   A 84  ? 0.230468 0.293938 0.173576  -0.0128105  0.0237842   -0.00294319 96  THR   B HB   
1214 H HG1  . THR   A 84  ? 0.233545 0.233545 0.233545  0           0           0           96  THR   B HG1  
1215 H HG21 . THR   A 84  ? 0.258473 0.297346 0.184559  -0.0181834  0.0190588   -0.00204302 96  THR   B HG21 
1216 H HG22 . THR   A 84  ? 0.253678 0.296757 0.185862  -0.0165428  0.0176449   -0.00173332 96  THR   B HG22 
1217 H HG23 . THR   A 84  ? 0.256178 0.297895 0.184572  -0.0153634  0.0168019   -0.00226136 96  THR   B HG23 
1218 N N    . MET   A 85  ? 0.217272 0.309875 0.181771  0.00108839  0.0411255   -0.0245992  97  MET   B N    
1219 C CA   . MET   A 85  ? 0.211884 0.302242 0.199606  0.014749    0.0061166   -0.0548052  97  MET   B CA   
1220 C C    . MET   A 85  ? 0.202783 0.363916 0.270517  0.0243555   0.0231196   -0.0796177  97  MET   B C    
1221 O O    . MET   A 85  ? 0.188748 0.35451  0.25187   0.0280268   0.0247473   -0.0754271  97  MET   B O    
1222 C CB   . MET   A 85  ? 0.219468 0.289461 0.224653  0.0257576   0.0223976   -0.0514358  97  MET   B CB   
1223 C CG   . MET   A 85  ? 0.218531 0.263275 0.182698  0.0207156   0.0043649   -0.0431667  97  MET   B CG   
1224 S SD   . MET   A 85  ? 0.234029 0.283762 0.193589  0.0323279   0.00924606  -0.0535376  97  MET   B SD   
1225 C CE   . MET   A 85  ? 0.216423 0.26023  0.221212  0.0277864   0.0124436   -0.0617692  97  MET   B CE   
1226 H H    . MET   A 85  ? 0.213108 0.304759 0.188648  0.00111744  0.0306334   -0.0258059  97  MET   B H    
1227 H HA   . MET   A 85  ? 0.210201 0.309864 0.203693  0.0151461   0.0124279   -0.0513426  97  MET   B HA   
1228 H HB2  . MET   A 85  ? 0.221747 0.285874 0.217403  0.0225533   0.0187238   -0.047403   97  MET   B HB2  
1229 H HB3  . MET   A 85  ? 0.219021 0.286543 0.211359  0.0218301   0.0149581   -0.0481935  97  MET   B HB3  
1230 H HG2  . MET   A 85  ? 0.219386 0.270338 0.18858   0.0230989   0.00533439  -0.0463918  97  MET   B HG2  
1231 H HG3  . MET   A 85  ? 0.221139 0.267046 0.192913  0.0229678   0.00858807  -0.0462065  97  MET   B HG3  
1232 H HE1  . MET   A 85  ? 0.221162 0.264546 0.215577  0.0283958   0.0116726   -0.0577803  97  MET   B HE1  
1233 H HE2  . MET   A 85  ? 0.219046 0.264617 0.215622  0.0290198   0.012271    -0.0580937  97  MET   B HE2  
1234 H HE3  . MET   A 85  ? 0.221373 0.26484  0.217181  0.0282089   0.0125494   -0.0581397  97  MET   B HE3  
1235 N N    . LYS   A 86  ? 0.215374 0.387214 0.253477  0.0392428   0.00761969  -0.103138   98  LYS   B N    
1236 C CA   . LYS   A 86  ? 0.270352 0.400003 0.265725  0.0479939   0.020491    -0.134522   98  LYS   B CA   
1237 C C    . LYS   A 86  ? 0.26275  0.415254 0.247919  0.090177    0.035388    -0.115816   98  LYS   B C    
1238 O O    . LYS   A 86  ? 0.297557 0.387126 0.238358  0.111208    0.0313465   -0.0500104  98  LYS   B O    
1239 C CB   . LYS   A 86  ? 0.274641 0.499527 0.27242   0.0312548   0.0342136   -0.206112   98  LYS   B CB   
1240 H H    . LYS   A 86  ? 0.219318 0.380188 0.257856  0.035103    0.0103431   -0.100777   98  LYS   B H    
1241 H HA   . LYS   A 86  ? 0.259513 0.413498 0.263015  0.0503572   0.0227517   -0.13067    98  LYS   B HA   
1242 H HB2  . LYS   A 86  ? 0.341959 0.341959 0.341959  0           0           0           98  LYS   B HB2  
1243 H HB3  . LYS   A 86  ? 0.341959 0.341959 0.341959  0           0           0           98  LYS   B HB3  
1244 N N    . LYS   A 87  ? 0.240764 0.459437 0.298758  0.0950915   0.0205705   -0.10253    99  LYS   B N    
1245 C CA   . LYS   A 87  ? 0.297849 0.444038 0.268535  0.142362    0.0199704   -0.105296   99  LYS   B CA   
1246 C C    . LYS   A 87  ? 0.316571 0.404601 0.261778  0.131327    0.022017    -0.0669117  99  LYS   B C    
1247 O O    . LYS   A 87  ? 0.342695 0.464102 0.239933  0.129012    0.0164772   -0.0799181  99  LYS   B O    
1248 C CB   . LYS   A 87  ? 0.314112 0.487925 0.342609  0.148389    0.0186134   -0.12754    99  LYS   B CB   
1249 C CG   . LYS   A 87  ? 0.317911 0.519952 0.378554  0.168213    0.00645709  -0.0985151  99  LYS   B CG   
1250 C CD   . LYS   A 87  ? 0.364721 0.515698 0.455718  0.195502    -0.0154834  -0.108291   99  LYS   B CD   
1251 C CE   . LYS   A 87  ? 0.441184 0.593094 0.491795  0.168449    -0.051642   -0.0599043  99  LYS   B CE   
1252 N NZ   . LYS   A 87  ? 0.504497 0.68943  0.578307  0.150348    -0.0575025  -0.0512637  99  LYS   B NZ   
1253 H H    . LYS   A 87  ? 0.254947 0.439981 0.28049   0.0979767   0.0258516   -0.102532   99  LYS   B H    
1254 H HA   . LYS   A 87  ? 0.29233  0.442919 0.277767  0.128621    0.0239927   -0.0977833  99  LYS   B HA   
1255 H HB2  . LYS   A 87  ? 0.312869 0.479112 0.332281  0.146309    0.015654    -0.112094   99  LYS   B HB2  
1256 H HB3  . LYS   A 87  ? 0.313576 0.479867 0.33537   0.146829    0.0151007   -0.111506   99  LYS   B HB3  
1257 H HG2  . LYS   A 87  ? 0.329447 0.509167 0.384871  0.165489    0.00663397  -0.102121   99  LYS   B HG2  
1258 H HG3  . LYS   A 87  ? 0.328281 0.508276 0.381921  0.165207    0.00723718  -0.10391    99  LYS   B HG3  
1259 H HD2  . LYS   A 87  ? 0.369147 0.527805 0.44238   0.177221    -0.0174938  -0.0932813  99  LYS   B HD2  
1260 H HD3  . LYS   A 87  ? 0.369977 0.529111 0.444664  0.178057    -0.0176424  -0.0924052  99  LYS   B HD3  
1261 H HE2  . LYS   A 87  ? 0.434404 0.588381 0.499673  0.167897    -0.0416662  -0.0673589  99  LYS   B HE2  
1262 H HE3  . LYS   A 87  ? 0.43476  0.587175 0.50092   0.16775     -0.0433423  -0.0681748  99  LYS   B HE3  
1263 H HZ1  . LYS   A 87  ? 0.488992 0.65654  0.562768  0.152757    -0.0600001  -0.0512817  99  LYS   B HZ1  
1264 H HZ2  . LYS   A 87  ? 0.488022 0.662671 0.557196  0.156406    -0.0515556  -0.0472979  99  LYS   B HZ2  
1265 H HZ3  . LYS   A 87  ? 0.486052 0.665796 0.55607   0.152945    -0.0542699  -0.0567074  99  LYS   B HZ3  
1266 N N    . GLY   A 88  ? 0.339595 0.396529 0.194485  0.121843    0.0159867   -0.057013   100 GLY   B N    
1267 C CA   . GLY   A 88  ? 0.337073 0.331764 0.241336  0.131806    0.0351167   -0.0614725  100 GLY   B CA   
1268 C C    . GLY   A 88  ? 0.297103 0.319186 0.275064  0.10757     0.0451659   -0.086393   100 GLY   B C    
1269 O O    . GLY   A 88  ? 0.345062 0.349016 0.305031  0.108871    -0.00575156 -0.0850949  100 GLY   B O    
1270 H H    . GLY   A 88  ? 0.332868 0.381956 0.203828  0.123221    0.0227486   -0.0609886  100 GLY   B H    
1271 H HA2  . GLY   A 88  ? 0.327751 0.340668 0.240063  0.119275    0.031998    -0.0618952  100 GLY   B HA2  
1272 H HA3  . GLY   A 88  ? 0.326782 0.342713 0.239983  0.120556    0.0327336   -0.0643111  100 GLY   B HA3  
1273 N N    . GLU   A 89  ? 0.309506 0.330131 0.220471  0.11453     0.0403578   -0.0741255  101 GLU   B N    
1274 C CA   . GLU   A 89  ? 0.310987 0.298427 0.233342  0.0994203   0.0130069   -0.0775876  101 GLU   B CA   
1275 C C    . GLU   A 89  ? 0.297023 0.288834 0.190839  0.0918525   -0.00043634 -0.0442522  101 GLU   B C    
1276 O O    . GLU   A 89  ? 0.312903 0.291152 0.205083  0.0802334   -0.0202216  -0.0575402  101 GLU   B O    
1277 C CB   . GLU   A 89  ? 0.257648 0.30477  0.20767   0.0790994   0.00563749  -0.0691726  101 GLU   B CB   
1278 C CG   . GLU   A 89  ? 0.261508 0.314296 0.196398  0.0640811   0.00994215  -0.0663057  101 GLU   B CG   
1279 C CD   . GLU   A 89  ? 0.260791 0.306944 0.178257  0.0714418   -0.00542231 -0.0485045  101 GLU   B CD   
1280 O OE1  . GLU   A 89  ? 0.247384 0.340786 0.21183   0.043159    0.0137672   -0.0843662  101 GLU   B OE1  
1281 O OE2  . GLU   A 89  ? 0.24351  0.312204 0.207231  0.0634314   0.0146956   -0.0761301  101 GLU   B OE2  
1282 H H    . GLU   A 89  ? 0.30917  0.321288 0.237765  0.108308    0.0352083   -0.0740423  101 GLU   B H    
1283 H HA   . GLU   A 89  ? 0.297306 0.303126 0.22339   0.0941211   0.0144954   -0.0659715  101 GLU   B HA   
1284 H HB2  . GLU   A 89  ? 0.266498 0.304946 0.210124  0.0771609   0.0095421   -0.0679871  101 GLU   B HB2  
1285 H HB3  . GLU   A 89  ? 0.268447 0.304438 0.209027  0.0774584   0.0076856   -0.0687725  101 GLU   B HB3  
1286 H HG2  . GLU   A 89  ? 0.259308 0.308998 0.196093  0.0672632   0.00634062  -0.0606282  101 GLU   B HG2  
1287 H HG3  . GLU   A 89  ? 0.260673 0.309039 0.196911  0.0672502   0.00532626  -0.0610445  101 GLU   B HG3  
1288 N N    . ILE   A 90  ? 0.305683 0.27059  0.20525   0.0701006   0.0152248   -0.0841373  102 ILE   B N    
1289 C CA   . ILE   A 90  ? 0.297019 0.237654 0.196626  0.0585162   0.00529408  -0.0682421  102 ILE   B CA   
1290 C C    . ILE   A 90  ? 0.330395 0.215802 0.199377  0.0579039   -0.00602566 -0.0652095  102 ILE   B C    
1291 O O    . ILE   A 90  ? 0.318543 0.281661 0.179536  0.0259973   0.00295444  -0.0513285  102 ILE   B O    
1292 C CB   . ILE   A 90  ? 0.297093 0.235531 0.21914   0.0553084   0.0120663   -0.0657945  102 ILE   B CB   
1293 C CG1  . ILE   A 90  ? 0.318741 0.247308 0.289335  0.054346    0.012895    -0.0566288  102 ILE   B CG1  
1294 C CG2  . ILE   A 90  ? 0.294245 0.269283 0.267937  0.0465108   0.0106635   -0.0565696  102 ILE   B CG2  
1295 C CD1  . ILE   A 90  ? 0.333519 0.241097 0.313502  0.0516745   5.585e-05   -0.0252147  102 ILE   B CD1  
1296 H H    . ILE   A 90  ? 0.300597 0.266774 0.202609  0.0708684   0.00901933  -0.0688642  102 ILE   B H    
1297 H HA   . ILE   A 90  ? 0.302469 0.239614 0.199818  0.0583319   0.00487858  -0.0677116  102 ILE   B HA   
1298 H HB   . ILE   A 90  ? 0.298179 0.243729 0.226092  0.0525548   0.00839042  -0.0621463  102 ILE   B HB   
1299 H HG12 . ILE   A 90  ? 0.315814 0.244108 0.282307  0.0529828   0.0113906   -0.0497279  102 ILE   B HG12 
1300 H HG13 . ILE   A 90  ? 0.316191 0.244309 0.276822  0.052624    0.0093607   -0.0505397  102 ILE   B HG13 
1301 H HG21 . ILE   A 90  ? 0.296351 0.261173 0.255553  0.04837     0.0113668   -0.0570154  102 ILE   B HG21 
1302 H HG22 . ILE   A 90  ? 0.295685 0.260201 0.261446  0.047759    0.0126403   -0.0564368  102 ILE   B HG22 
1303 H HG23 . ILE   A 90  ? 0.296503 0.262327 0.255284  0.0460254   0.011958    -0.058509   102 ILE   B HG23 
1304 H HD11 . ILE   A 90  ? 0.328783 0.244536 0.309686  0.0514392   0.00442746  -0.0329905  102 ILE   B HD11 
1305 H HD12 . ILE   A 90  ? 0.327775 0.24334  0.306805  0.0522128   0.00331537  -0.0328519  102 ILE   B HD12 
1306 H HD13 . ILE   A 90  ? 0.330882 0.244725 0.307875  0.0512465   0.00179844  -0.0335108  102 ILE   B HD13 
1307 N N    . ALA   A 91  ? 0.266418 0.228977 0.173588  0.0464606   0.0152506   -0.0484823  103 ALA   B N    
1308 C CA   . ALA   A 91  ? 0.255177 0.21839  0.175749  0.0259538   0.00151074  -0.0135582  103 ALA   B CA   
1309 C C    . ALA   A 91  ? 0.248771 0.194839 0.164851  0.00504552  0.00281043  -0.0211404  103 ALA   B C    
1310 O O    . ALA   A 91  ? 0.246908 0.221489 0.165219  0.032708    -0.00496581 -0.00671312 103 ALA   B O    
1311 C CB   . ALA   A 91  ? 0.262072 0.208906 0.220677  0.0168223   0.0234031   -0.0174138  103 ALA   B CB   
1312 H H    . ALA   A 91  ? 0.276003 0.223759 0.180584  0.0430049   0.00697622  -0.0422706  103 ALA   B H    
1313 H HA   . ALA   A 91  ? 0.255788 0.21433  0.176932  0.0236435   0.00632257  -0.0220231  103 ALA   B HA   
1314 H HB1  . ALA   A 91  ? 0.259347 0.212918 0.209036  0.0188715   0.0168794   -0.0156884  103 ALA   B HB1  
1315 H HB2  . ALA   A 91  ? 0.260157 0.212899 0.215563  0.0189284   0.0190506   -0.0155121  103 ALA   B HB2  
1316 H HB3  . ALA   A 91  ? 0.259672 0.213729 0.20885   0.0182209   0.0169548   -0.0159175  103 ALA   B HB3  
1317 N N    . HIS   A 92  ? 0.224893 0.20196  0.153251  0.0234894   -0.00214834 -0.0193308  104 HIS   B N    
1318 C CA   . HIS   A 92  ? 0.226249 0.206641 0.173358  -0.0112493  -0.00658459 -0.0218909  104 HIS   B CA   
1319 C C    . HIS   A 92  ? 0.228661 0.194316 0.151997  -0.00062665 -0.00494204 0.00643589  104 HIS   B C    
1320 O O    . HIS   A 92  ? 0.231686 0.212964 0.140465  0.00843345  0.00739644  -0.00428803 104 HIS   B O    
1321 C CB   . HIS   A 92  ? 0.218348 0.235739 0.164965  -0.00924106 -0.00203333 -0.0290016  104 HIS   B CB   
1322 C CG   . HIS   A 92  ? 0.25218  0.238868 0.194038  -0.0334626  -0.0107802  -0.0293781  104 HIS   B CG   
1323 N ND1  . HIS   A 92  ? 0.261033 0.271963 0.23507   -0.0259148  -0.0388112  -0.0355229  104 HIS   B ND1  
1324 C CD2  . HIS   A 92  ? 0.270721 0.232775 0.191174  -0.0408367  0.00609218  -0.0268039  104 HIS   B CD2  
1325 C CE1  . HIS   A 92  ? 0.254676 0.260105 0.277171  -0.0362045  -0.0406964  -0.0319907  104 HIS   B CE1  
1326 N NE2  . HIS   A 92  ? 0.271957 0.213931 0.238494  -0.0208417  -0.0120892  -0.0261127  104 HIS   B NE2  
1327 H H    . HIS   A 92  ? 0.230066 0.201233 0.157294  0.0115029   -0.00143045 -0.0183175  104 HIS   B H    
1328 H HA   . HIS   A 92  ? 0.225614 0.209912 0.169884  -0.00181387 -0.00419233 -0.0187193  104 HIS   B HA   
1329 H HB2  . HIS   A 92  ? 0.226293 0.228186 0.17126   -0.0140913  -0.00405212 -0.0255332  104 HIS   B HB2  
1330 H HB3  . HIS   A 92  ? 0.223532 0.226941 0.172464  -0.0118934  -0.00271396 -0.0275338  104 HIS   B HB3  
1331 H HD1  . HIS   A 92  ? 0.259256 0.259256 0.259256  0           0           0           104 HIS   B HD1  
1332 H HD2  . HIS   A 92  ? 0.267817 0.230136 0.204131  -0.0322434  -0.00025433 -0.0260564  104 HIS   B HD2  
1333 H HE1  . HIS   A 92  ? 0.257973 0.24999  0.25626   -0.0312267  -0.0330882  -0.0315067  104 HIS   B HE1  
1334 H HE2  . HIS   A 92  ? 0.243171 0.243171 0.243171  0           0           0           104 HIS   B HE2  
1335 N N    . LEU   A 93  ? 0.226964 0.192131 0.147491  -0.00796346 0.0117232   -0.00817914 105 LEU   B N    
1336 C CA   . LEU   A 93  ? 0.214868 0.201919 0.128641  0.0116098   0.00414342  -0.00319702 105 LEU   B CA   
1337 C C    . LEU   A 93  ? 0.223595 0.208443 0.145502  0.00186488  0.0140488   -0.0193947  105 LEU   B C    
1338 O O    . LEU   A 93  ? 0.248062 0.213307 0.163535  0.00894283  0.00981053  0.0125694   105 LEU   B O    
1339 C CB   . LEU   A 93  ? 0.211829 0.190911 0.147671  0.00108156  -0.0206279  0.00836737  105 LEU   B CB   
1340 C CG   . LEU   A 93  ? 0.204689 0.204933 0.18326   -0.0061868  -0.0107107  -0.00784799 105 LEU   B CG   
1341 C CD1  . LEU   A 93  ? 0.216987 0.225762 0.208978  -0.0261191  -0.0326312  0.00498515  105 LEU   B CD1  
1342 C CD2  . LEU   A 93  ? 0.212889 0.257207 0.172876  -0.00246201 0.0254144   -0.0330495  105 LEU   B CD2  
1343 H H    . LEU   A 93  ? 0.22378  0.19553  0.146496  -0.00154951 0.00576621  -0.00407573 105 LEU   B H    
1344 H HA   . LEU   A 93  ? 0.21702  0.198156 0.137926  0.00371163  0.00366564  -0.00273272 105 LEU   B HA   
1345 H HB2  . LEU   A 93  ? 0.210189 0.19463  0.149398  0.00146093  -0.0113224  0.00405514  105 LEU   B HB2  
1346 H HB3  . LEU   A 93  ? 0.210338 0.195314 0.151528  0.00193415  -0.0119216  0.00229955  105 LEU   B HB3  
1347 H HG   . LEU   A 93  ? 0.209306 0.208858 0.179001  -0.00656343 -0.0097727  -0.0074621  105 LEU   B HG   
1348 H HD11 . LEU   A 93  ? 0.214552 0.221172 0.203252  -0.0192292  -0.0255652  0.00020462  105 LEU   B HD11 
1349 H HD12 . LEU   A 93  ? 0.218105 0.220848 0.202214  -0.0199106  -0.026154   0.00101392  105 LEU   B HD12 
1350 H HD13 . LEU   A 93  ? 0.214554 0.224547 0.202235  -0.0199721  -0.0254273  0.00188766  105 LEU   B HD13 
1351 H HD21 . LEU   A 93  ? 0.211145 0.240495 0.179383  -0.00300133 0.0150204   -0.0230104  105 LEU   B HD21 
1352 H HD22 . LEU   A 93  ? 0.210554 0.245512 0.178177  -0.00451037 0.0139132   -0.023122   105 LEU   B HD22 
1353 H HD23 . LEU   A 93  ? 0.209413 0.240518 0.178211  -0.00354065 0.0139626   -0.0237543  105 LEU   B HD23 
1354 N N    . LEU   A 94  ? 0.190967 0.21712  0.123319  0.00233315  0.0125855   -0.0123595  106 LEU   B N    
1355 C CA   . LEU   A 94  ? 0.1882   0.209646 0.118951  -0.00556332 0.020726    0.0125179   106 LEU   B CA   
1356 C C    . LEU   A 94  ? 0.191267 0.214609 0.137725  0.00222331  0.00844682  -0.00366692 106 LEU   B C    
1357 O O    . LEU   A 94  ? 0.211211 0.204966 0.142393  0.00872173  0.00685313  0.00682715  106 LEU   B O    
1358 C CB   . LEU   A 94  ? 0.198838 0.240736 0.138218  0.0092061   0.0111651   -0.00365766 106 LEU   B CB   
1359 C CG   . LEU   A 94  ? 0.199698 0.277424 0.169912  -0.00801207 0.0113564   -0.0161281  106 LEU   B CG   
1360 C CD1  . LEU   A 94  ? 0.184347 0.283807 0.199134  0.00751591  0.0147813   -0.00534975 106 LEU   B CD1  
1361 C CD2  . LEU   A 94  ? 0.209855 0.304939 0.188233  -0.00350537 -0.00207623 -0.0102852  106 LEU   B CD2  
1362 H H    . LEU   A 94  ? 0.197726 0.213034 0.130088  0.00099804  0.0137595   -0.00818508 106 LEU   B H    
1363 H HA   . LEU   A 94  ? 0.190216 0.21124  0.121222  -0.00229954 0.0181077   0.00837836  106 LEU   B HA   
1364 H HB2  . LEU   A 94  ? 0.196495 0.238638 0.141516  0.00220492  0.013373    -0.00212076 106 LEU   B HB2  
1365 H HB3  . LEU   A 94  ? 0.196669 0.240198 0.142737  0.00249382  0.0129711   -0.00298868 106 LEU   B HB3  
1366 H HG   . LEU   A 94  ? 0.199292 0.271503 0.171792  -0.00091837 0.0092651   -0.0114616  106 LEU   B HG   
1367 H HD11 . LEU   A 94  ? 0.190944 0.279185 0.19065   0.00311116  0.0145024   -0.0076519  106 LEU   B HD11 
1368 H HD12 . LEU   A 94  ? 0.188546 0.280266 0.190651  0.00400148  0.0148638   -0.00813407 106 LEU   B HD12 
1369 H HD13 . LEU   A 94  ? 0.190417 0.282454 0.192124  0.00370353  0.0143478   -0.00624631 106 LEU   B HD13 
1370 H HD21 . LEU   A 94  ? 0.20889  0.297057 0.185759  -0.00335213 0.00133116  -0.0125328  106 LEU   B HD21 
1371 H HD22 . LEU   A 94  ? 0.20863  0.297351 0.186515  -0.00393137 0.00212033  -0.00956611 106 LEU   B HD22 
1372 H HD23 . LEU   A 94  ? 0.210911 0.295447 0.185834  -0.00479351 0.00077649  -0.0108942  106 LEU   B HD23 
1373 N N    . ILE   A 95  ? 0.196276 0.219068 0.128858  -0.00665719 0.0227191   -0.00088476 107 ILE   B N    
1374 C CA   . ILE   A 95  ? 0.192918 0.217706 0.14483   0.0368059   0.00176473  0.00443194  107 ILE   B CA   
1375 C C    . ILE   A 95  ? 0.202983 0.207454 0.134217  0.0194427   0.00132288  -0.00392216 107 ILE   B C    
1376 O O    . ILE   A 95  ? 0.217943 0.229873 0.143764  0.029183    0.00989812  0.00959431  107 ILE   B O    
1377 C CB   . ILE   A 95  ? 0.221741 0.211047 0.131144  0.0329808   0.00100005  0.00206271  107 ILE   B CB   
1378 C CG1  . ILE   A 95  ? 0.221341 0.203172 0.156115  0.0437106   -0.0142157  -0.0182154  107 ILE   B CG1  
1379 C CG2  . ILE   A 95  ? 0.239574 0.205202 0.132378  0.0359382   0.00648827  -0.00597686 107 ILE   B CG2  
1380 C CD1  . ILE   A 95  ? 0.24012  0.221283 0.166275  0.0387531   -0.00637562 -0.0117036  107 ILE   B CD1  
1381 H H    . ILE   A 95  ? 0.190222 0.213876 0.134095  0.00166922  0.0168411   0.00198646  107 ILE   B H    
1382 H HA   . ILE   A 95  ? 0.202286 0.21556  0.140437  0.025183    0.00405617  -0.00038325 107 ILE   B HA   
1383 H HB   . ILE   A 95  ? 0.217748 0.208021 0.139307  0.0339329   0.0006973   -0.0011865  107 ILE   B HB   
1384 H HG12 . ILE   A 95  ? 0.225116 0.209159 0.153536  0.0396315   -0.00919415 -0.0122002  107 ILE   B HG12 
1385 H HG13 . ILE   A 95  ? 0.223343 0.207757 0.151194  0.0378436   -0.0095863  -0.0129675  107 ILE   B HG13 
1386 H HG21 . ILE   A 95  ? 0.233921 0.207367 0.135606  0.0335104   0.00564084  -0.00399571 107 ILE   B HG21 
1387 H HG22 . ILE   A 95  ? 0.233357 0.207334 0.13487   0.0342149   0.0048465   -0.00376719 107 ILE   B HG22 
1388 H HG23 . ILE   A 95  ? 0.232672 0.206892 0.134662  0.0339764   0.00518028  -0.00353659 107 ILE   B HG23 
1389 H HD11 . ILE   A 95  ? 0.234242 0.216139 0.164987  0.0392731   -0.00855698 -0.0126885  107 ILE   B HD11 
1390 H HD12 . ILE   A 95  ? 0.235024 0.216669 0.165785  0.0379648   -0.00921303 -0.0118983  107 ILE   B HD12 
1391 H HD13 . ILE   A 95  ? 0.234219 0.216454 0.166615  0.0395066   -0.00722224 -0.0114915  107 ILE   B HD13 
1392 N N    . LYS   A 96  ? 0.21828  0.201983 0.125407  0.0344611   0.016662    -0.00828194 108 LYS   B N    
1393 C CA   . LYS   A 96  ? 0.230098 0.197938 0.144942  0.055385    0.0175472   -8.789e-05  108 LYS   B CA   
1394 C C    . LYS   A 96  ? 0.196459 0.213525 0.151745  0.051059    0.0149192   0.00778389  108 LYS   B C    
1395 O O    . LYS   A 96  ? 0.197745 0.204144 0.155702  0.039349    0.013056    -0.00367272 108 LYS   B O    
1396 C CB   . LYS   A 96  ? 0.218588 0.233486 0.148694  0.0586089   -0.0091934  -0.00271481 108 LYS   B CB   
1397 C CG   . LYS   A 96  ? 0.24178  0.262839 0.167167  0.0614949   -0.0230415  0.0150223   108 LYS   B CG   
1398 C CD   . LYS   A 96  ? 0.250678 0.298163 0.185289  0.0748621   0.00345411  0.0323598   108 LYS   B CD   
1399 C CE   . LYS   A 96  ? 0.287102 0.375187 0.217735  0.0914942   0.0190512   0.0963438   108 LYS   B CE   
1400 N NZ   . LYS   A 96  ? 0.319869 0.434219 0.340312  0.0754332   0.0482058   0.152206    108 LYS   B NZ   
1401 H H    . LYS   A 96  ? 0.214447 0.202367 0.132059  0.0340086   0.0138295   -0.00413731 108 LYS   B H    
1402 H HA   . LYS   A 96  ? 0.222521 0.208285 0.143856  0.0506299   0.0119274   -0.00056661 108 LYS   B HA   
1403 H HB2  . LYS   A 96  ? 0.223168 0.229452 0.152789  0.0560479   -0.00490019 0.0016568   108 LYS   B HB2  
1404 H HB3  . LYS   A 96  ? 0.224659 0.228916 0.152472  0.0571063   -0.00451591 0.0010873   108 LYS   B HB3  
1405 H HG2  . LYS   A 96  ? 0.238687 0.26068  0.168003  0.0619715   -0.0138403  0.0142094   108 LYS   B HG2  
1406 H HG3  . LYS   A 96  ? 0.238565 0.261818 0.169562  0.0596378   -0.0152632  0.0159457   108 LYS   B HG3  
1407 H HD2  . LYS   A 96  ? 0.25208  0.295823 0.185892  0.0722033   0.00054694  0.0390501   108 LYS   B HD2  
1408 H HD3  . LYS   A 96  ? 0.251742 0.295307 0.18436   0.07418     0.00190747  0.0374894   108 LYS   B HD3  
1409 H HE2  . LYS   A 96  ? 0.285501 0.355717 0.225939  0.0831094   0.0186848   0.0867359   108 LYS   B HE2  
1410 H HE3  . LYS   A 96  ? 0.280707 0.355533 0.227355  0.0798092   0.0179023   0.0879847   108 LYS   B HE3  
1411 H HZ1  . LYS   A 96  ? 0.315468 0.417476 0.305521  0.0726302   0.0328246   0.13681     108 LYS   B HZ1  
1412 H HZ2  . LYS   A 96  ? 0.313909 0.411243 0.299408  0.0783763   0.03744     0.130496    108 LYS   B HZ2  
1413 H HZ3  . LYS   A 96  ? 0.316076 0.411074 0.315346  0.0780352   0.0463472   0.131167    108 LYS   B HZ3  
1414 N N    . PRO   A 97  ? 0.225613 0.21861  0.138311  0.0545921   0.00735174  0.00200927  109 PRO   B N    
1415 C CA   . PRO   A 97  ? 0.226013 0.208701 0.127066  0.0553688   0.00793219  0.0224245   109 PRO   B CA   
1416 C C    . PRO   A 97  ? 0.215544 0.216777 0.169217  0.0630249   0.0220571   -0.0222239  109 PRO   B C    
1417 O O    . PRO   A 97  ? 0.217346 0.228785 0.151342  0.0531894   0.0142293   -0.0181736  109 PRO   B O    
1418 C CB   . PRO   A 97  ? 0.236676 0.229172 0.167138  0.0388992   0.00981355  -0.00220661 109 PRO   B CB   
1419 C CG   . PRO   A 97  ? 0.254171 0.270854 0.163627  0.0661175   0.0140618   -0.0265404  109 PRO   B CG   
1420 C CD   . PRO   A 97  ? 0.236301 0.238074 0.128079  0.0348523   0.0222298   0.0103796   109 PRO   B CD   
1421 H HA   . PRO   A 97  ? 0.224434 0.205481 0.143861  0.0545521   0.00969788  0.00943356  109 PRO   B HA   
1422 H HB2  . PRO   A 97  ? 0.238738 0.230984 0.158078  0.0474371   0.00995346  -0.00171728 109 PRO   B HB2  
1423 H HB3  . PRO   A 97  ? 0.237004 0.230823 0.157502  0.0468955   0.0102668   -0.00038585 109 PRO   B HB3  
1424 H HG2  . PRO   A 97  ? 0.246365 0.262692 0.15805   0.0515964   0.0143191   -0.0130125  109 PRO   B HG2  
1425 H HG3  . PRO   A 97  ? 0.252076 0.254171 0.158232  0.0524001   0.0128562   -0.011862   109 PRO   B HG3  
1426 H HD2  . PRO   A 97  ? 0.235532 0.234952 0.134819  0.0455735   0.0150696   0.00470054  109 PRO   B HD2  
1427 H HD3  . PRO   A 97  ? 0.235108 0.234689 0.138866  0.0433906   0.0161491   0.00150838  109 PRO   B HD3  
1428 N N    . GLU   A 98  ? 0.203869 0.237481 0.155439  0.0436959   0.00981378  -0.00151498 110 GLU   B N    
1429 C CA   . GLU   A 98  ? 0.250878 0.234001 0.165431  0.0332509   -0.0105742  -0.00612919 110 GLU   B CA   
1430 C C    . GLU   A 98  ? 0.244888 0.20252  0.176643  0.0365528   0.00222056  0.0036772   110 GLU   B C    
1431 O O    . GLU   A 98  ? 0.271794 0.246298 0.239269  0.0445821   0.0046142   -0.0583966  110 GLU   B O    
1432 C CB   . GLU   A 98  ? 0.263274 0.233434 0.183559  0.0444304   -0.00622159 0.00719582  110 GLU   B CB   
1433 C CG   . GLU   A 98  ? 0.323449 0.257262 0.251062  0.0560265   -0.0117561  -0.0199352  110 GLU   B CG   
1434 C CD   . GLU   A 98  ? 0.32727  0.294114 0.294801  0.0835088   -0.0308777  -0.0140781  110 GLU   B CD   
1435 O OE1  . GLU   A 98  ? 0.277781 0.236992 0.193328  0.056522    -0.00782865 0.0331851   110 GLU   B OE1  
1436 O OE2  . GLU   A 98  ? 0.406449 0.440904 0.352572  0.0968474   -0.0160295  -0.124434   110 GLU   B OE2  
1437 H H    . GLU   A 98  ? 0.215145 0.230864 0.159379  0.0457971   0.00543066  -0.00621173 110 GLU   B H    
1438 H HA   . GLU   A 98  ? 0.241244 0.230963 0.168116  0.0375381   -0.00260352 -0.00369311 110 GLU   B HA   
1439 H HB2  . GLU   A 98  ? 0.269277 0.238403 0.191189  0.0427135   -0.00802081 -0.00152332 110 GLU   B HB2  
1440 H HB3  . GLU   A 98  ? 0.267598 0.237015 0.191504  0.041656    -0.00817384 -0.00139426 110 GLU   B HB3  
1441 H HG2  . GLU   A 98  ? 0.306155 0.261469 0.242455  0.057418    -0.0141433  -0.0131007  110 GLU   B HG2  
1442 H HG3  . GLU   A 98  ? 0.307194 0.259729 0.245054  0.0570211   -0.0136738  -0.0113096  110 GLU   B HG3  
1443 N N    . TYR   A 99  ? 0.219509 0.1971   0.150836  0.0414794   0.00268572  0.00706721  111 TYR   B N    
1444 C CA   . TYR   A 99  ? 0.210861 0.198597 0.141126  0.0317039   0.0213097   -0.015401   111 TYR   B CA   
1445 C C    . TYR   A 99  ? 0.22479  0.225162 0.151345  0.0469325   0.0121249   0.00056488  111 TYR   B C    
1446 O O    . TYR   A 99  ? 0.218398 0.23022  0.135882  0.040862    0.0149743   0.01505     111 TYR   B O    
1447 C CB   . TYR   A 99  ? 0.214498 0.199509 0.144587  0.0122635   0.0151765   -0.0132136  111 TYR   B CB   
1448 C CG   . TYR   A 99  ? 0.201376 0.202744 0.160697  0.00604136  -0.00386905 -0.0187475  111 TYR   B CG   
1449 C CD1  . TYR   A 99  ? 0.206618 0.21251  0.154351  0.0167238   -0.00194764 -0.0081996  111 TYR   B CD1  
1450 C CD2  . TYR   A 99  ? 0.185441 0.218924 0.18281   0.00388523  0.00786822  0.00678696  111 TYR   B CD2  
1451 C CE1  . TYR   A 99  ? 0.219455 0.217423 0.145048  0.0105088   -0.00627827 0.00766986  111 TYR   B CE1  
1452 C CE2  . TYR   A 99  ? 0.219054 0.249348 0.206371  0.00533421  0.0169925   0.00589805  111 TYR   B CE2  
1453 C CZ   . TYR   A 99  ? 0.235504 0.215155 0.19468   0.0107681   0.00299379  0.0184271   111 TYR   B CZ   
1454 O OH   . TYR   A 99  ? 0.249599 0.233628 0.24449   -0.0179171  5.324e-05   0.050483    111 TYR   B OH   
1455 H H    . TYR   A 99  ? 0.220764 0.198868 0.154827  0.0368182   0.0064228   0.00069735  111 TYR   B H    
1456 H HA   . TYR   A 99  ? 0.213526 0.201663 0.146758  0.0308156   0.013945    -0.00814842 111 TYR   B HA   
1457 H HB2  . TYR   A 99  ? 0.210939 0.200253 0.149115  0.015042    0.0122201   -0.0141484  111 TYR   B HB2  
1458 H HB3  . TYR   A 99  ? 0.211615 0.201224 0.149058  0.0138283   0.0117537   -0.0139895  111 TYR   B HB3  
1459 H HD1  . TYR   A 99  ? 0.208199 0.210915 0.15556   0.0123793   -0.00303399 -0.00644671 111 TYR   B HD1  
1460 H HD2  . TYR   A 99  ? 0.194254 0.218084 0.18053   0.00663528  0.0053547   0.0012886   111 TYR   B HD2  
1461 H HE1  . TYR   A 99  ? 0.217647 0.214921 0.15859   0.012145    -0.00335473 0.00633387  111 TYR   B HE1  
1462 H HE2  . TYR   A 99  ? 0.21646  0.232601 0.197162  0.00683355  0.0104159   0.00856351  111 TYR   B HE2  
1463 H HH   . TYR   A 99  ? 0.243044 0.243044 0.243044  0           0           0           111 TYR   B HH   
1464 N N    . ALA   A 100 ? 0.217997 0.223796 0.148985  0.0578986   0.0094269   0.00701474  112 ALA   B N    
1465 C CA   . ALA   A 100 ? 0.239908 0.223004 0.150697  0.0493549   0.0411305   -0.00881908 112 ALA   B CA   
1466 C C    . ALA   A 100 ? 0.223055 0.222802 0.155951  0.0533311   0.0186526   -0.0177451  112 ALA   B C    
1467 O O    . ALA   A 100 ? 0.253315 0.252016 0.156185  0.027       0.0134908   -0.00818555 112 ALA   B O    
1468 C CB   . ALA   A 100 ? 0.261349 0.234697 0.14165   0.0491412   0.0299922   0.0120418   112 ALA   B CB   
1469 H H    . ALA   A 100 ? 0.22218  0.220584 0.151542  0.0532058   0.0168155   0.00147545  112 ALA   B H    
1470 H HA   . ALA   A 100 ? 0.236505 0.225259 0.151435  0.048921    0.0275617   -0.00316407 112 ALA   B HA   
1471 H HB1  . ALA   A 100 ? 0.25413  0.230724 0.148626  0.0473205   0.0322137   0.00670315  112 ALA   B HB1  
1472 H HB2  . ALA   A 100 ? 0.255275 0.231107 0.147183  0.0464212   0.0325559   0.00600142  112 ALA   B HB2  
1473 H HB3  . ALA   A 100 ? 0.253999 0.22919  0.146233  0.0472253   0.0327464   0.00740004  112 ALA   B HB3  
1474 N N    . TYR   A 101 ? 0.2309   0.218302 0.126902  0.073866    0.0200409   -0.00185974 113 TYR   B N    
1475 C CA   . TYR   A 101 ? 0.226706 0.234189 0.121606  0.0584957   0.00276393  -0.0188446  113 TYR   B CA   
1476 C C    . TYR   A 101 ? 0.235374 0.230614 0.125933  0.0543784   -0.00334707 -0.0118847  113 TYR   B C    
1477 O O    . TYR   A 101 ? 0.255046 0.229701 0.128795  0.0379995   0.00883545  -0.0240172  113 TYR   B O    
1478 C CB   . TYR   A 101 ? 0.26162  0.221366 0.12585   0.0420715   0.00116065  -0.0266746  113 TYR   B CB   
1479 C CG   . TYR   A 101 ? 0.261308 0.23112  0.0993765 0.0541794   0.00932617  -0.00888514 113 TYR   B CG   
1480 C CD1  . TYR   A 101 ? 0.274451 0.231204 0.112254  0.0500087   0.00876488  -0.00327174 113 TYR   B CD1  
1481 C CD2  . TYR   A 101 ? 0.28132  0.223642 0.110322  0.0424581   0.0138789   0.00075317  113 TYR   B CD2  
1482 C CE1  . TYR   A 101 ? 0.286227 0.232845 0.12162   0.0538818   -0.0256205  0.0226378   113 TYR   B CE1  
1483 C CE2  . TYR   A 101 ? 0.295608 0.232944 0.100423  0.0424044   0.017258    0.0131018   113 TYR   B CE2  
1484 C CZ   . TYR   A 101 ? 0.297034 0.196182 0.152862  0.0483169   0.00194842  0.0210508   113 TYR   B CZ   
1485 O OH   . TYR   A 101 ? 0.294708 0.219502 0.163979  0.0696555   0.00027452  0.0115234   113 TYR   B OH   
1486 H H    . TYR   A 101 ? 0.230269 0.22314  0.135615  0.0647641   0.017496    -0.00788753 113 TYR   B H    
1487 H HA   . TYR   A 101 ? 0.230744 0.227666 0.126225  0.0555637   0.0033811   -0.0151465  113 TYR   B HA   
1488 H HB2  . TYR   A 101 ? 0.252675 0.226289 0.122629  0.0477568   0.00398227  -0.0196087  113 TYR   B HB2  
1489 H HB3  . TYR   A 101 ? 0.252426 0.226308 0.124545  0.0475917   0.00371013  -0.0195028  113 TYR   B HB3  
1490 H HD1  . TYR   A 101 ? 0.273298 0.230304 0.114398  0.0503772   0.00130835  -6.934e-05  113 TYR   B HD1  
1491 H HD2  . TYR   A 101 ? 0.278507 0.227521 0.111037  0.0446781   0.0142127   0.00186174  113 TYR   B HD2  
1492 H HE1  . TYR   A 101 ? 0.27677  0.224612 0.124191  0.0514579   -0.0153946  0.0162103   113 TYR   B HE1  
1493 H HE2  . TYR   A 101 ? 0.289829 0.222928 0.118315  0.0433003   0.0126337   0.0112028   113 TYR   B HE2  
1494 H HH   . TYR   A 101 ? 0.227593 0.227593 0.227593  0           0           0           113 TYR   B HH   
1495 N N    . GLY   A 102 ? 0.256893 0.225019 0.115535  0.0771659   0.0181511   -0.00222196 114 GLY   B N    
1496 C CA   . GLY   A 102 ? 0.260506 0.221946 0.131278  0.0657058   -0.00652838 0.00041586  114 GLY   B CA   
1497 C C    . GLY   A 102 ? 0.26169  0.221976 0.131199  0.06008     -0.00767022 0.0124415   114 GLY   B C    
1498 O O    . GLY   A 102 ? 0.241986 0.234322 0.129183  0.0551779   -0.00371659 -0.0172972  114 GLY   B O    
1499 H H    . GLY   A 102 ? 0.250192 0.224392 0.120801  0.0675478   0.00816416  -0.00590489 114 GLY   B H    
1500 H HA2  . GLY   A 102 ? 0.260438 0.22297  0.132435  0.0656123   -0.00043767 0.00224538  114 GLY   B HA2  
1501 H HA3  . GLY   A 102 ? 0.257418 0.221817 0.130185  0.0644793   -0.00130121 0.00176266  114 GLY   B HA3  
1502 N N    . SER   A 103 ? 0.255443 0.210319 0.151238  0.0729795   0.00970215  -0.00576097 115 SER   B N    
1503 C CA   . SER   A 103 ? 0.244238 0.249065 0.142933  0.0689084   0.00570612  -0.0156134  115 SER   B CA   
1504 C C    . SER   A 103 ? 0.225088 0.247925 0.134294  0.0403237   0.0150303   -0.0215632  115 SER   B C    
1505 O O    . SER   A 103 ? 0.281637 0.282498 0.139933  0.0570071   0.032621    -0.0103707  115 SER   B O    
1506 C CB   . SER   A 103 ? 0.273628 0.255007 0.170887  0.0696075   0.0137576   -0.0190967  115 SER   B CB   
1507 O OG   . SER   A 103 ? 0.34353  0.268679 0.202699  0.0728597   -0.0236205  -0.0154029  115 SER   B OG   
1508 H H    . SER   A 103 ? 0.252918 0.220817 0.146381  0.0663663   0.00481762  -0.00313706 115 SER   B H    
1509 H HA   . SER   A 103 ? 0.246491 0.241458 0.149111  0.062078    0.00866371  -0.0146921  115 SER   B HA   
1510 H HB2  . SER   A 103 ? 0.272794 0.255623 0.170522  0.0689421   0.00723936  -0.0172519  115 SER   B HB2  
1511 H HB3  . SER   A 103 ? 0.277259 0.255891 0.173726  0.068321    0.0048987   -0.0173625  115 SER   B HB3  
1512 H HG   . SER   A 103 ? 0.273187 0.273187 0.273187  0           0           0           115 SER   B HG   
1513 N N    . ALA   A 104 ? 0.230059 0.234078 0.118441  0.0393589   0.0126636   -0.00386706 116 ALA   B N    
1514 C CA   . ALA   A 104 ? 0.286763 0.25951  0.123692  0.0420272   0.0151749   -0.0161777  116 ALA   B CA   
1515 C C    . ALA   A 104 ? 0.245372 0.244592 0.124002  0.0341866   0.0180617   -0.00560657 116 ALA   B C    
1516 O O    . ALA   A 104 ? 0.280496 0.26719  0.138318  0.0452362   0.0401457   0.0122067   116 ALA   B O    
1517 C CB   . ALA   A 104 ? 0.315189 0.266427 0.165893  0.0289834   -0.0258804  -0.0258089  116 ALA   B CB   
1518 H H    . ALA   A 104 ? 0.234771 0.24064  0.125223  0.0379212   0.0154698   -0.00922091 116 ALA   B H    
1519 H HA   . ALA   A 104 ? 0.268438 0.251354 0.132134  0.0376987   0.00951821  -0.0126497  116 ALA   B HA   
1520 H HB1  . ALA   A 104 ? 0.306205 0.264192 0.158925  0.0316382   -0.0130386  -0.0216994  116 ALA   B HB1  
1521 H HB2  . ALA   A 104 ? 0.310653 0.266306 0.162144  0.0292045   -0.0167349  -0.0194687  116 ALA   B HB2  
1522 H HB3  . ALA   A 104 ? 0.30583  0.265831 0.164005  0.0317064   -0.0128308  -0.0238267  116 ALA   B HB3  
1523 N N    . GLY   A 105 ? 0.2502   0.222932 0.113117  0.0473529   0.0136465   0.00471864  117 GLY   B N    
1524 C CA   . GLY   A 105 ? 0.266309 0.230494 0.114097  0.0438705   0.0202734   -0.0104814  117 GLY   B CA   
1525 C C    . GLY   A 105 ? 0.253698 0.241927 0.133003  0.0468722   0.00872603  -0.025921   117 GLY   B C    
1526 O O    . GLY   A 105 ? 0.266779 0.264729 0.145934  0.0508304   0.0176217   0.0249548   117 GLY   B O    
1527 H H    . GLY   A 105 ? 0.250774 0.228275 0.11647   0.0417917   0.0172482   0.00097129  117 GLY   B H    
1528 H HA2  . GLY   A 105 ? 0.258278 0.230259 0.117049  0.0447893   0.0170107   -0.0113067  117 GLY   B HA2  
1529 H HA3  . GLY   A 105 ? 0.259238 0.230998 0.120601  0.044827    0.0160251   -0.00978604 117 GLY   B HA3  
1530 N N    . SER   A 106 ? 0.26921  0.229738 0.14225   0.0733845   0.00501256  -0.0270088  118 SER   B N    
1531 C CA   . SER   A 106 ? 0.279954 0.228839 0.158854  0.075984    0.0148836   0.00411142  118 SER   B CA   
1532 C C    . SER   A 106 ? 0.308674 0.226012 0.180247  0.0571495   0.0289284   0.0167451   118 SER   B C    
1533 O O    . SER   A 106 ? 0.361493 0.210295 0.205789  0.0498414   -0.00100171 0.0158373   118 SER   B O    
1534 C CB   . SER   A 106 ? 0.271341 0.244497 0.190419  0.082622    0.00628558  0.0164208   118 SER   B CB   
1535 O OG   . SER   A 106 ? 0.300487 0.280423 0.233125  0.104017    -0.0146081  0.014848    118 SER   B OG   
1536 H H    . SER   A 106 ? 0.265852 0.232258 0.145635  0.064694    0.00807793  -0.0189421  118 SER   B H    
1537 H HA   . SER   A 106 ? 0.279181 0.231302 0.165247  0.0708162   0.0135332   0.00188906  118 SER   B HA   
1538 H HB2  . SER   A 106 ? 0.277278 0.244853 0.191099  0.0816755   0.00488477  0.0143744   118 SER   B HB2  
1539 H HB3  . SER   A 106 ? 0.278454 0.246535 0.192147  0.0825834   0.00424709  0.0132556   118 SER   B HB3  
1540 H HG   . SER   A 106 ? 0.271667 0.271667 0.271667  0           0           0           118 SER   B HG   
1541 N N    . LEU   A 107 ? 0.287954 0.258311 0.172591  0.0181737   0.0290554   0.00809323  119 LEU   B N    
1542 C CA   . LEU   A 107 ? 0.33729  0.238245 0.170144  0.00550128  0.0372018   0.0114486   119 LEU   B CA   
1543 C C    . LEU   A 107 ? 0.366811 0.266462 0.221661  0.00490309  6.104e-05   0.0418234   119 LEU   B C    
1544 O O    . LEU   A 107 ? 0.351253 0.252297 0.265589  0.0356272   0.00485222  0.030946    119 LEU   B O    
1545 C CB   . LEU   A 107 ? 0.331322 0.287607 0.208892  0.00372081  0.0522023   0.0318149   119 LEU   B CB   
1546 C CG   . LEU   A 107 ? 0.323969 0.271732 0.239133  -0.0288705  0.035204    0.0467807   119 LEU   B CG   
1547 C CD1  . LEU   A 107 ? 0.363368 0.272092 0.258493  -0.027966   0.0255171   0.02027     119 LEU   B CD1  
1548 C CD2  . LEU   A 107 ? 0.321545 0.365313 0.227766  -0.0137454  0.0273321   0.034598    119 LEU   B CD2  
1549 H H    . LEU   A 107 ? 0.302027 0.250958 0.176795  0.0246281   0.0300746   0.0125889   119 LEU   B H    
1550 H HA   . LEU   A 107 ? 0.327816 0.253587 0.182682  0.00584559  0.0276412   0.0158157   119 LEU   B HA   
1551 H HB2  . LEU   A 107 ? 0.333102 0.2753   0.211679  -0.00035777 0.0452042   0.0320717   119 LEU   B HB2  
1552 H HB3  . LEU   A 107 ? 0.333375 0.274111 0.210459  -0.00120855 0.0422889   0.0282798   119 LEU   B HB3  
1553 H HG   . LEU   A 107 ? 0.327098 0.281892 0.232028  -0.0247827  0.0384391   0.0420035   119 LEU   B HG   
1554 H HD11 . LEU   A 107 ? 0.348927 0.273498 0.253111  -0.0268451  0.0277832   0.0258169   119 LEU   B HD11 
1555 H HD12 . LEU   A 107 ? 0.351342 0.27481  0.254975  -0.0282844  0.0292536   0.0252727   119 LEU   B HD12 
1556 H HD13 . LEU   A 107 ? 0.35098  0.27689  0.255861  -0.0248105  0.0265044   0.0240325   119 LEU   B HD13 
1557 H HD21 . LEU   A 107 ? 0.323348 0.334684 0.234311  -0.0166749  0.028119    0.0360058   119 LEU   B HD21 
1558 H HD22 . LEU   A 107 ? 0.325318 0.34105  0.237355  -0.013311   0.0258474   0.0323611   119 LEU   B HD22 
1559 H HD23 . LEU   A 107 ? 0.323924 0.33626  0.235195  -0.0175253  0.0289169   0.035631    119 LEU   B HD23 
1560 N N    . PRO   A 108 ? 0.423155 0.273309 0.2117    -0.0104857  -0.0203275  0.0507141   120 PRO   B N    
1561 C CA   . PRO   A 108 ? 0.439248 0.277395 0.214099  -0.0245966  -0.0185545  0.037984    120 PRO   B CA   
1562 C C    . PRO   A 108 ? 0.437574 0.247798 0.233433  -0.0317931  0.0139428   0.0164337   120 PRO   B C    
1563 O O    . PRO   A 108 ? 0.452594 0.3134   0.273545  -0.0383796  -0.0210249  -0.00470941 120 PRO   B O    
1564 C CB   . PRO   A 108 ? 0.478579 0.287666 0.249633  -0.00659623 0.0217591   0.0314141   120 PRO   B CB   
1565 C CG   . PRO   A 108 ? 0.495251 0.273806 0.265986  -0.0146382  0.00629665  0.0668042   120 PRO   B CG   
1566 C CD   . PRO   A 108 ? 0.459621 0.274264 0.221889  -0.00618348 -0.0159524  0.0800598   120 PRO   B CD   
1567 H HA   . PRO   A 108 ? 0.437449 0.276641 0.225091  -0.020403   -0.00421528 0.0350666   120 PRO   B HA   
1568 H HB2  . PRO   A 108 ? 0.469199 0.286299 0.247865  -0.00945401 0.0111731   0.0414977   120 PRO   B HB2  
1569 H HB3  . PRO   A 108 ? 0.466638 0.284148 0.243562  -0.00990981 0.0123506   0.0388402   120 PRO   B HB3  
1570 H HG2  . PRO   A 108 ? 0.4802   0.282277 0.258693  -0.0108514  0.0033505   0.0634513   120 PRO   B HG2  
1571 H HG3  . PRO   A 108 ? 0.479543 0.280632 0.25749   -0.00972281 0.00460992  0.060847    120 PRO   B HG3  
1572 H HD2  . PRO   A 108 ? 0.454393 0.275843 0.231322  -0.00819438 -0.0116247  0.0687677   120 PRO   B HD2  
1573 H HD3  . PRO   A 108 ? 0.453703 0.275698 0.231112  -0.00796045 -0.0113445  0.0683559   120 PRO   B HD3  
1574 N N    . LYS   A 109 ? 0.442663 0.237236 0.242193  -0.0185999  0.0128182   0.0132651   121 LYS   B N    
1575 C CA   . LYS   A 109 ? 0.454212 0.241758 0.233717  -0.010238   0.0219912   0.0190918   121 LYS   B CA   
1576 C C    . LYS   A 109 ? 0.443223 0.242764 0.228887  -0.0198714  0.00536723  0.00495266  121 LYS   B C    
1577 O O    . LYS   A 109 ? 0.508986 0.251371 0.274293  -0.0209974  -0.0285225  -0.0287548  121 LYS   B O    
1578 C CB   . LYS   A 109 ? 0.481956 0.264672 0.290974  0.0254267   0.0134998   0.0576167   121 LYS   B CB   
1579 H H    . LYS   A 109 ? 0.438905 0.243981 0.240823  -0.018621   0.0144596   0.0159991   121 LYS   B H    
1580 H HA   . LYS   A 109 ? 0.448855 0.245581 0.245508  -0.0083514  0.01581     0.0216763   121 LYS   B HA   
1581 H HB2  . LYS   A 109 ? 0.343479 0.343479 0.343479  0           0           0           121 LYS   B HB2  
1582 H HB3  . LYS   A 109 ? 0.343479 0.343479 0.343479  0           0           0           121 LYS   B HB3  
1583 N N    . ILE   A 110 ? 0.390831 0.220602 0.206247  0.0164411   0.0252536   0.00388183  122 ILE   B N    
1584 C CA   . ILE   A 110 ? 0.334547 0.228789 0.200173  0.037398    0.0101347   -0.0190722  122 ILE   B CA   
1585 C C    . ILE   A 110 ? 0.308492 0.237672 0.19118   0.0252954   0.0216991   -0.0194469  122 ILE   B C    
1586 O O    . ILE   A 110 ? 0.329845 0.267549 0.1583    0.0427939   0.023183    -0.024082   122 ILE   B O    
1587 C CB   . ILE   A 110 ? 0.329351 0.220883 0.211078  0.0471467   0.013969    0.00656519  122 ILE   B CB   
1588 C CG1  . ILE   A 110 ? 0.353005 0.275222 0.252452  0.0411413   0.0226659   0.00182646  122 ILE   B CG1  
1589 C CG2  . ILE   A 110 ? 0.241044 0.255111 0.191959  0.0658514   0.0263326   0.0160456   122 ILE   B CG2  
1590 C CD1  . ILE   A 110 ? 0.403609 0.320332 0.338343  0.0775955   -0.00072489 -0.0220826  122 ILE   B CD1  
1591 H H    . ILE   A 110 ? 0.385458 0.229835 0.214333  0.0141665   0.0182801   0.00022151  122 ILE   B H    
1592 H HA   . ILE   A 110 ? 0.334347 0.229013 0.19988   0.0309317   0.0137127   -0.0115416  122 ILE   B HA   
1593 H HB   . ILE   A 110 ? 0.313201 0.237635 0.21039   0.046634    0.0164735   0.00185095  122 ILE   B HB   
1594 H HG12 . ILE   A 110 ? 0.353152 0.268058 0.255919  0.0479762   0.0155839   -0.00077616 122 ILE   B HG12 
1595 H HG13 . ILE   A 110 ? 0.350029 0.267952 0.256648  0.0466585   0.0161392   -0.00107823 122 ILE   B HG13 
1596 H HG21 . ILE   A 110 ? 0.257746 0.243111 0.19609   0.0563872   0.0252402   0.0137275   122 ILE   B HG21 
1597 H HG22 . ILE   A 110 ? 0.264203 0.244827 0.199416  0.058824    0.0232878   0.0130572   122 ILE   B HG22 
1598 H HG23 . ILE   A 110 ? 0.261501 0.241481 0.19769   0.0602555   0.0237803   0.0119146   122 ILE   B HG23 
1599 H HD11 . ILE   A 110 ? 0.384495 0.3103   0.321469  0.0637511   0.00739586  -0.0216149  122 ILE   B HD11 
1600 H HD12 . ILE   A 110 ? 0.38597  0.307999 0.309696  0.0623805   0.00692294  -0.0143766  122 ILE   B HD12 
1601 H HD13 . ILE   A 110 ? 0.395179 0.309022 0.310693  0.0679998   0.00515284  -0.0162545  122 ILE   B HD13 
1602 N N    . PRO   A 111 ? 0.281884 0.251814 0.176851  0.0434335   0.0340179   -0.0165023  123 PRO   B N    
1603 C CA   . PRO   A 111 ? 0.295223 0.285635 0.170696  0.0449732   0.0405526   -0.0202424  123 PRO   B CA   
1604 C C    . PRO   A 111 ? 0.273367 0.249328 0.165271  0.0591113   0.0251568   -0.0166359  123 PRO   B C    
1605 O O    . PRO   A 111 ? 0.263084 0.256535 0.161588  0.050341    0.0439511   -0.0296231  123 PRO   B O    
1606 C CB   . PRO   A 111 ? 0.298665 0.34275  0.241084  0.0426373   0.0409627   -0.00089263 123 PRO   B CB   
1607 C CG   . PRO   A 111 ? 0.347298 0.343208 0.2569    0.0148473   0.0111564   -0.024514   123 PRO   B CG   
1608 C CD   . PRO   A 111 ? 0.337428 0.262961 0.186286  0.0240778   0.02611     -0.0152586  123 PRO   B CD   
1609 H HA   . PRO   A 111 ? 0.287494 0.277533 0.174254  0.0459484   0.0358768   -0.0158362  123 PRO   B HA   
1610 H HB2  . PRO   A 111 ? 0.307475 0.326977 0.226372  0.0359283   0.0341675   -0.0113121  123 PRO   B HB2  
1611 H HB3  . PRO   A 111 ? 0.307269 0.326047 0.226542  0.0362206   0.0341135   -0.0103399  123 PRO   B HB3  
1612 H HG2  . PRO   A 111 ? 0.334214 0.325285 0.249568  0.0240947   0.0201349   -0.0233114  123 PRO   B HG2  
1613 H HG3  . PRO   A 111 ? 0.335257 0.322742 0.23897   0.0245005   0.0213291   -0.0172726  123 PRO   B HG3  
1614 H HD2  . PRO   A 111 ? 0.321847 0.272885 0.197721  0.0266263   0.025657    -0.0162045  123 PRO   B HD2  
1615 H HD3  . PRO   A 111 ? 0.322386 0.268071 0.197956  0.0257156   0.0251805   -0.0144895  123 PRO   B HD3  
1616 N N    . SER   A 112 ? 0.260936 0.244785 0.168604  0.0590082   0.0360805   -0.0194922  124 SER   B N    
1617 C CA   . SER   A 112 ? 0.274146 0.264754 0.125111  0.0612044   0.0240036   -0.00355301 124 SER   B CA   
1618 C C    . SER   A 112 ? 0.275979 0.258786 0.13912   0.0399133   0.0121655   -0.00159726 124 SER   B C    
1619 O O    . SER   A 112 ? 0.249583 0.299731 0.136883  0.0452544   0.0375925   -0.00141047 124 SER   B O    
1620 C CB   . SER   A 112 ? 0.272423 0.249589 0.147702  0.0497462   0.0313377   -0.0258323  124 SER   B CB   
1621 O OG   . SER   A 112 ? 0.265576 0.247861 0.153184  0.0600079   0.0498676   -0.00293615 124 SER   B OG   
1622 H H    . SER   A 112 ? 0.265284 0.250285 0.159416  0.0577934   0.0310231   -0.0144897  124 SER   B H    
1623 H HA   . SER   A 112 ? 0.271701 0.256463 0.143119  0.0539891   0.0251754   -0.00926156 124 SER   B HA   
1624 H HB2  . SER   A 112 ? 0.269833 0.25197  0.147997  0.052983    0.0333979   -0.0145144  124 SER   B HB2  
1625 H HB3  . SER   A 112 ? 0.268805 0.252019 0.146911  0.0530639   0.0332829   -0.0145446  124 SER   B HB3  
1626 H HG   . SER   A 112 ? 0.22544  0.22544  0.22544   0           0           0           124 SER   B HG   
1627 N N    . ASN   A 113 ? 0.233544 0.259563 0.141627  0.0576832   0.00199072  0.0182448   125 ASN   B N    
1628 C CA   . ASN   A 113 ? 0.241533 0.261138 0.136621  0.0455731   -0.0148301  0.0071759   125 ASN   B CA   
1629 C C    . ASN   A 113 ? 0.264054 0.270009 0.146137  0.0275533   0.026733    -0.00259708 125 ASN   B C    
1630 O O    . ASN   A 113 ? 0.303345 0.331383 0.156561  0.0674661   -0.0111949  -0.0216307  125 ASN   B O    
1631 C CB   . ASN   A 113 ? 0.297163 0.273383 0.132995  0.077857    -0.0206577  0.0275979   125 ASN   B CB   
1632 C CG   . ASN   A 113 ? 0.346985 0.320807 0.215966  0.0795525   -0.0555778  0.020231    125 ASN   B CG   
1633 O OD1  . ASN   A 113 ? 0.405308 0.299905 0.203722  0.0216009   -0.0965113  0.0224692   125 ASN   B OD1  
1634 N ND2  . ASN   A 113 ? 0.431184 0.35938  0.204096  0.133077    -0.0993677  -0.00871123 125 ASN   B ND2  
1635 H H    . ASN   A 113 ? 0.244122 0.258615 0.142045  0.0495622   0.00083899  0.0108184   125 ASN   B H    
1636 H HA   . ASN   A 113 ? 0.250456 0.262566 0.14161   0.0479919   -0.00420545 0.0116116   125 ASN   B HA   
1637 H HB2  . ASN   A 113 ? 0.288528 0.27745  0.148841  0.0681756   -0.024742   0.0207264   125 ASN   B HB2  
1638 H HB3  . ASN   A 113 ? 0.287749 0.277143 0.139164  0.0682591   -0.0269181  0.0218588   125 ASN   B HB3  
1639 H HD21 . ASN   A 113 ? 0.40304  0.348347 0.212415  0.11352     -0.080743   0.00286789  125 ASN   B HD21 
1640 H HD22 . ASN   A 113 ? 0.410925 0.34616  0.210882  0.115602    -0.0782941  0.00276028  125 ASN   B HD22 
1641 N N    . ALA   A 114 ? 0.23563  0.277461 0.118444  0.0235008   0.00663382  -0.0001166  126 ALA   B N    
1642 C CA   . ALA   A 114 ? 0.243266 0.283582 0.139056  0.0317934   0.0187672   -0.0123855  126 ALA   B CA   
1643 C C    . ALA   A 114 ? 0.204872 0.258698 0.155082  0.0162156   0.0303354   -0.0308378  126 ALA   B C    
1644 O O    . ALA   A 114 ? 0.202466 0.302745 0.143144  0.0375076   0.0109879   -0.0199941  126 ALA   B O    
1645 C CB   . ALA   A 114 ? 0.260352 0.292096 0.127246  0.0393702   0.0138011   -0.015874   126 ALA   B CB   
1646 H H    . ALA   A 114 ? 0.237425 0.275433 0.126138  0.025701    0.00793631  -0.00345823 126 ALA   B H    
1647 H HA   . ALA   A 114 ? 0.239871 0.278149 0.140196  0.0285396   0.0184061   -0.0137177  126 ALA   B HA   
1648 H HB1  . ALA   A 114 ? 0.255045 0.287967 0.135079  0.0365299   0.0155908   -0.0138169  126 ALA   B HB1  
1649 H HB2  . ALA   A 114 ? 0.256007 0.287983 0.134698  0.0366779   0.0158937   -0.0137646  126 ALA   B HB2  
1650 H HB3  . ALA   A 114 ? 0.255089 0.287536 0.13455   0.0365122   0.0155231   -0.0139034  126 ALA   B HB3  
1651 N N    . THR   A 115 ? 0.20586  0.255652 0.141039  0.0380809   0.022528    -0.0391472  127 THR   B N    
1652 C CA   . THR   A 115 ? 0.20928  0.256792 0.133576  0.0437258   0.0202665   -0.00153218 127 THR   B CA   
1653 C C    . THR   A 115 ? 0.234142 0.251737 0.122235  0.022352    0.0108971   -0.017397   127 THR   B C    
1654 O O    . THR   A 115 ? 0.225295 0.247996 0.183225  0.0304822   0.0337151   0.0132454   127 THR   B O    
1655 C CB   . THR   A 115 ? 0.214401 0.281525 0.139531  0.0456838   0.00535697  -0.0297424  127 THR   B CB   
1656 O OG1  . THR   A 115 ? 0.263394 0.283431 0.171153  0.0600947   -0.001722   -0.0109229  127 THR   B OG1  
1657 C CG2  . THR   A 115 ? 0.21923  0.289093 0.128504  0.0327282   0.00335639  -0.0231412  127 THR   B CG2  
1658 H H    . THR   A 115 ? 0.206977 0.255932 0.14453   0.0335639   0.0231087   -0.0273636  127 THR   B H    
1659 H HA   . THR   A 115 ? 0.213658 0.257941 0.136458  0.0374121   0.0161513   -0.0157388  127 THR   B HA   
1660 H HB   . THR   A 115 ? 0.220692 0.276619 0.144058  0.0433551   0.00683515  -0.0186322  127 THR   B HB   
1661 H HG1  . THR   A 115 ? 0.242664 0.242664 0.242664  0           0           0           127 THR   B HG1  
1662 H HG21 . THR   A 115 ? 0.217225 0.284945 0.133866  0.0358549   0.00345413  -0.0234573  127 THR   B HG21 
1663 H HG22 . THR   A 115 ? 0.217246 0.284571 0.134522  0.0353019   0.00426039  -0.0235145  127 THR   B HG22 
1664 H HG23 . THR   A 115 ? 0.217919 0.285943 0.134419  0.035377    0.00419679  -0.0237241  127 THR   B HG23 
1665 N N    . LEU   A 116 ? 0.207278 0.222523 0.143153  0.019098    0.00824094  -0.00039986 128 LEU   B N    
1666 C CA   . LEU   A 116 ? 0.213651 0.213152 0.146709  0.00694721  0.00887809  -0.00710233 128 LEU   B CA   
1667 C C    . LEU   A 116 ? 0.198947 0.218329 0.159185  0.0158252   0.0135686   -0.00332584 128 LEU   B C    
1668 O O    . LEU   A 116 ? 0.239391 0.203413 0.15662   0.0125073   0.0144677   0.00169788  128 LEU   B O    
1669 C CB   . LEU   A 116 ? 0.231007 0.241791 0.137946  0.0312968   0.00639707  0.0199939   128 LEU   B CB   
1670 C CG   . LEU   A 116 ? 0.264503 0.329668 0.162508  0.024944    0.00782727  0.0007465   128 LEU   B CG   
1671 C CD1  . LEU   A 116 ? 0.270313 0.348394 0.164173  0.0346046   -0.0151447  -0.0183904  128 LEU   B CD1  
1672 C CD2  . LEU   A 116 ? 0.273794 0.372877 0.155338  0.00512609  -0.0255961  0.00898518  128 LEU   B CD2  
1673 H H    . LEU   A 116 ? 0.213311 0.224727 0.1405    0.0157905   0.00969053  -0.00465799 128 LEU   B H    
1674 H HA   . LEU   A 116 ? 0.211081 0.219744 0.147883  0.0135242   0.00992908  0.00057918  128 LEU   B HA   
1675 H HB2  . LEU   A 116 ? 0.230154 0.245683 0.146352  0.0233664   0.00778633  0.00991022  128 LEU   B HB2  
1676 H HB3  . LEU   A 116 ? 0.23053  0.241085 0.146433  0.0251126   0.00719107  0.0103945   128 LEU   B HB3  
1677 H HG   . LEU   A 116 ? 0.259763 0.322897 0.158954  0.023887    -0.00196827 0.00281296  128 LEU   B HG   
1678 H HD11 . LEU   A 116 ? 0.272404 0.341851 0.168302  0.0328782   -0.0097136  -0.0132503  128 LEU   B HD11 
1679 H HD12 . LEU   A 116 ? 0.269907 0.33974  0.165346  0.0317062   -0.0076731  -0.0132898  128 LEU   B HD12 
1680 H HD13 . LEU   A 116 ? 0.269828 0.342996 0.167141  0.0312367   -0.007928   -0.0126288  128 LEU   B HD13 
1681 H HD21 . LEU   A 116 ? 0.268007 0.354138 0.160767  0.0126275   -0.0141868  0.00697811  128 LEU   B HD21 
1682 H HD22 . LEU   A 116 ? 0.270993 0.361575 0.161779  0.0118299   -0.0135836  0.00661084  128 LEU   B HD22 
1683 H HD23 . LEU   A 116 ? 0.270744 0.357379 0.162139  0.0120039   -0.0138855  0.0068815   128 LEU   B HD23 
1684 N N    . PHE   A 117 ? 0.218971 0.197904 0.133804  -0.00274811 0.01823     0.00531298  129 PHE   B N    
1685 C CA   . PHE   A 117 ? 0.202024 0.205597 0.155586  0.00205218  0.0191573   0.00527213  129 PHE   B CA   
1686 C C    . PHE   A 117 ? 0.232006 0.179361 0.152764  0.00134858  0.0078612   0.00308139  129 PHE   B C    
1687 O O    . PHE   A 117 ? 0.259327 0.220101 0.158577  -0.00102065 0.00646115  0.0158408   129 PHE   B O    
1688 C CB   . PHE   A 117 ? 0.212408 0.222034 0.168882  -0.00182147 0.0173929   -0.0093597  129 PHE   B CB   
1689 C CG   . PHE   A 117 ? 0.250865 0.223895 0.202571  -0.0103475  0.0283457   -0.0128002  129 PHE   B CG   
1690 C CD1  . PHE   A 117 ? 0.245812 0.252768 0.170801  -0.00740999 0.013949    -0.0219638  129 PHE   B CD1  
1691 C CD2  . PHE   A 117 ? 0.299407 0.222547 0.210661  -0.0274001  0.0110952   -0.0294045  129 PHE   B CD2  
1692 C CE1  . PHE   A 117 ? 0.253885 0.263566 0.159669  -0.0257497  0.0281249   -0.031995   129 PHE   B CE1  
1693 C CE2  . PHE   A 117 ? 0.300952 0.212513 0.230628  -0.00188722 0.0175763   -0.0332102  129 PHE   B CE2  
1694 C CZ   . PHE   A 117 ? 0.286189 0.261312 0.200352  -0.00628755 0.01731     -0.0542252  129 PHE   B CZ   
1695 H H    . PHE   A 117 ? 0.209015 0.201721 0.14101   0.00119424  0.0190822   0.00644179  129 PHE   B H    
1696 H HA   . PHE   A 117 ? 0.212432 0.201057 0.153543  0.00016928  0.0163825   0.00302611  129 PHE   B HA   
1697 H HB2  . PHE   A 117 ? 0.216721 0.217717 0.173049  -0.00224765 0.0192791   -0.00628995 129 PHE   B HB2  
1698 H HB3  . PHE   A 117 ? 0.217106 0.218151 0.173722  -0.00212574 0.0189602   -0.00674447 129 PHE   B HB3  
1699 H HD1  . PHE   A 117 ? 0.248907 0.248365 0.177106  -0.0119901  0.0200045   -0.0218146  129 PHE   B HD1  
1700 H HD2  . PHE   A 117 ? 0.285908 0.222186 0.213736  -0.0165715  0.0164469   -0.0255563  129 PHE   B HD2  
1701 H HE1  . PHE   A 117 ? 0.258302 0.257787 0.165623  -0.016663   0.0226971   -0.0300391  129 PHE   B HE1  
1702 H HE2  . PHE   A 117 ? 0.294317 0.218534 0.217949  -0.00687947 0.0153389   -0.0337121  129 PHE   B HE2  
1703 H HZ   . PHE   A 117 ? 0.27941  0.249463 0.196124  -0.0092968  0.0202084   -0.043212   129 PHE   B HZ   
1704 N N    . PHE   A 118 ? 0.229755 0.196472 0.159867  0.00072917  0.00672318  0.00807861  130 PHE   B N    
1705 C CA   . PHE   A 118 ? 0.221734 0.191555 0.139612  0.00055881  0.0150571   0.00703129  130 PHE   B CA   
1706 C C    . PHE   A 118 ? 0.275334 0.188235 0.148171  0.0169588   -0.0158425  -0.00629811 130 PHE   B C    
1707 O O    . PHE   A 118 ? 0.284225 0.190106 0.159293  0.00755524  -0.00114058 0.0147518   130 PHE   B O    
1708 C CB   . PHE   A 118 ? 0.229304 0.202058 0.177437  0.00365839  0.0104031   0.00185191  130 PHE   B CB   
1709 C CG   . PHE   A 118 ? 0.221368 0.199072 0.159475  0.014552    0.0138783   0.013545    130 PHE   B CG   
1710 C CD1  . PHE   A 118 ? 0.232977 0.209241 0.131877  0.0188353   -0.0084448  -0.00247802 130 PHE   B CD1  
1711 C CD2  . PHE   A 118 ? 0.249956 0.206972 0.158848  0.0306014   0.00522453  0.0114745   130 PHE   B CD2  
1712 C CE1  . PHE   A 118 ? 0.222012 0.226281 0.137868  0.0246457   -0.01575    -0.0149342  130 PHE   B CE1  
1713 C CE2  . PHE   A 118 ? 0.242899 0.25704  0.187273  0.0251528   -0.00195205 -0.00613066 130 PHE   B CE2  
1714 C CZ   . PHE   A 118 ? 0.254798 0.2646   0.166937  0.0395649   0.0153634   0.0221054   130 PHE   B CZ   
1715 H H    . PHE   A 118 ? 0.227693 0.192689 0.156565  0.00123954  0.00848159  0.00509043  130 PHE   B H    
1716 H HA   . PHE   A 118 ? 0.232193 0.189639 0.149244  0.00184682  0.00950698  0.00875691  130 PHE   B HA   
1717 H HB2  . PHE   A 118 ? 0.226074 0.202373 0.167227  0.00656702  0.0108021   0.00325941  130 PHE   B HB2  
1718 H HB3  . PHE   A 118 ? 0.226813 0.201199 0.165495  0.00441745  0.0115969   0.0052004   130 PHE   B HB3  
1719 H HD1  . PHE   A 118 ? 0.227186 0.209716 0.139515  0.0196168   -0.00515397 0.00058663  130 PHE   B HD1  
1720 H HD2  . PHE   A 118 ? 0.239629 0.210499 0.165868  0.0262638   0.00589696  0.00714475  130 PHE   B HD2  
1721 H HE1  . PHE   A 118 ? 0.229334 0.225146 0.143364  0.0261601   -0.00676465 -0.00404825 130 PHE   B HE1  
1722 H HE2  . PHE   A 118 ? 0.246936 0.248744 0.184535  0.0272505   0.00580083  -0.00116886 130 PHE   B HE2  
1723 H HZ   . PHE   A 118 ? 0.24205  0.250852 0.172529  0.0311404   0.00284627  0.00893325  130 PHE   B HZ   
1724 N N    . GLU   A 119 ? 0.282541 0.192955 0.144882  0.0184826   -0.00260141 -0.00858931 131 GLU   B N    
1725 C CA   . GLU   A 119 ? 0.281961 0.167976 0.194979  0.0203937   0.0103316   0.00883064  131 GLU   B CA   
1726 C C    . GLU   A 119 ? 0.267534 0.164748 0.197509  -0.00219954 -0.00783622 0.0130508   131 GLU   B C    
1727 O O    . GLU   A 119 ? 0.299426 0.230177 0.204622  0.0222967   -0.008118   0.0274315   131 GLU   B O    
1728 C CB   . GLU   A 119 ? 0.30119  0.18937  0.208092  0.00536964  -0.0104549  -0.00104405 131 GLU   B CB   
1729 C CG   . GLU   A 119 ? 0.311697 0.199848 0.239007  0.0121063   -0.0191537  -0.00186283 131 GLU   B CG   
1730 C CD   . GLU   A 119 ? 0.310807 0.191022 0.251046  0.0130189   -0.0264245  -0.0335343  131 GLU   B CD   
1731 O OE1  . GLU   A 119 ? 0.361446 0.270233 0.273915  -0.0251648  -0.0563803  -0.0145574  131 GLU   B OE1  
1732 O OE2  . GLU   A 119 ? 0.38399  0.213575 0.347098  0.0113654   -0.0250416  -0.0471041  131 GLU   B OE2  
1733 H H    . GLU   A 119 ? 0.277901 0.187714 0.15751   0.0180048   -0.00213564 -0.00333826 131 GLU   B H    
1734 H HA   . GLU   A 119 ? 0.280374 0.177585 0.186407  0.0131059   0.00106092  0.00542111  131 GLU   B HA   
1735 H HB2  . GLU   A 119 ? 0.297484 0.188289 0.212472  0.0103289   -0.00642181 0.00143166  131 GLU   B HB2  
1736 H HB3  . GLU   A 119 ? 0.297219 0.188341 0.212681  0.010457    -0.00666726 0.00144702  131 GLU   B HB3  
1737 H HG2  . GLU   A 119 ? 0.307397 0.197193 0.235288  0.0104811   -0.0178633  -0.00832033 131 GLU   B HG2  
1738 H HG3  . GLU   A 119 ? 0.307175 0.1973   0.234642  0.0102015   -0.017683   -0.00806003 131 GLU   B HG3  
1739 N N    . ILE   A 120 ? 0.263103 0.188239 0.194796  0.0172101   -0.0106964  -0.0140819  132 ILE   B N    
1740 C CA   . ILE   A 120 ? 0.264836 0.212004 0.186702  0.0423463   -0.00760045 -0.0233994  132 ILE   B CA   
1741 C C    . ILE   A 120 ? 0.307858 0.209761 0.195199  0.0628231   -0.00787913 -0.0483516  132 ILE   B C    
1742 O O    . ILE   A 120 ? 0.290802 0.225894 0.175859  0.0535792   -0.0150093  -0.043699   132 ILE   B O    
1743 C CB   . ILE   A 120 ? 0.232585 0.219479 0.185415  0.0191777   -0.00101976 -0.0127608  132 ILE   B CB   
1744 C CG1  . ILE   A 120 ? 0.229151 0.201421 0.190653  0.0238892   -0.0134257  -0.0106193  132 ILE   B CG1  
1745 C CG2  . ILE   A 120 ? 0.260414 0.212688 0.224776  0.0268129   -0.0110674  -0.0253627  132 ILE   B CG2  
1746 C CD1  . ILE   A 120 ? 0.272249 0.214365 0.181227  0.0257525   0.0113428   -0.0169977  132 ILE   B CD1  
1747 H H    . ILE   A 120 ? 0.263839 0.188792 0.196647  0.0176953   -0.00847895 -0.0098355  132 ILE   B H    
1748 H HA   . ILE   A 120 ? 0.264925 0.208585 0.190462  0.0357571   -0.00673381 -0.0222995  132 ILE   B HA   
1749 H HB   . ILE   A 120 ? 0.241431 0.212107 0.190198  0.0246387   -0.00571459 -0.0136764  132 ILE   B HB   
1750 H HG12 . ILE   A 120 ? 0.236622 0.208112 0.188122  0.0225484   -0.00543857 -0.0119371  132 ILE   B HG12 
1751 H HG13 . ILE   A 120 ? 0.231547 0.207913 0.187368  0.0225414   -0.00743007 -0.0119148  132 ILE   B HG13 
1752 H HG21 . ILE   A 120 ? 0.251554 0.216021 0.214042  0.0234636   -0.0078051  -0.0211257  132 ILE   B HG21 
1753 H HG22 . ILE   A 120 ? 0.251434 0.217465 0.218137  0.0237011   -0.00829525 -0.0234306  132 ILE   B HG22 
1754 H HG23 . ILE   A 120 ? 0.252438 0.21667  0.215405  0.0228911   -0.00891211 -0.0204084  132 ILE   B HG23 
1755 H HD11 . ILE   A 120 ? 0.258541 0.210391 0.185832  0.0245396   0.00454241  -0.014139   132 ILE   B HD11 
1756 H HD12 . ILE   A 120 ? 0.258002 0.210247 0.185665  0.0248987   0.00495655  -0.0147416  132 ILE   B HD12 
1757 H HD13 . ILE   A 120 ? 0.263755 0.210557 0.187458  0.0245855   0.0068927   -0.014515   132 ILE   B HD13 
1758 N N    . GLU   A 121 ? 0.294382 0.21888  0.195135  0.0820149   -0.0122951  -0.0420926  133 GLU   B N    
1759 C CA   . GLU   A 121 ? 0.294021 0.219221 0.231594  0.0796291   -0.0124784  -0.0398489  133 GLU   B CA   
1760 C C    . GLU   A 121 ? 0.301535 0.266736 0.241807  0.0916553   -0.0181512  -0.0514696  133 GLU   B C    
1761 O O    . GLU   A 121 ? 0.376568 0.257842 0.220573  0.101885    -0.0239469  -0.0344645  133 GLU   B O    
1762 C CB   . GLU   A 121 ? 0.346696 0.222946 0.23499   0.0854307   -0.0142732  -0.0418583  133 GLU   B CB   
1763 C CG   . GLU   A 121 ? 0.336185 0.233592 0.276518  0.0933089   -0.00259118 -0.043063   133 GLU   B CG   
1764 C CD   . GLU   A 121 ? 0.354979 0.230793 0.349607  0.049394    0.0128349   -0.0631993  133 GLU   B CD   
1765 O OE1  . GLU   A 121 ? 0.370727 0.240353 0.426654  0.0452075   0.0346923   -0.0384596  133 GLU   B OE1  
1766 O OE2  . GLU   A 121 ? 0.413427 0.271242 0.366988  0.120773    -0.00888157 -0.0918052  133 GLU   B OE2  
1767 H H    . GLU   A 121 ? 0.295458 0.217026 0.201275  0.0740203   -0.0101253  -0.0403323  133 GLU   B H    
1768 H HA   . GLU   A 121 ? 0.302463 0.229306 0.227267  0.0804358   -0.0135492  -0.0419928  133 GLU   B HA   
1769 H HB2  . GLU   A 121 ? 0.332394 0.225935 0.24431   0.0837767   -0.00902738 -0.0396716  133 GLU   B HB2  
1770 H HB3  . GLU   A 121 ? 0.330094 0.225263 0.240485  0.0835085   -0.0104083  -0.0387201  133 GLU   B HB3  
1771 H HG2  . GLU   A 121 ? 0.339947 0.232222 0.280589  0.0797836   -0.00238901 -0.0452962  133 GLU   B HG2  
1772 H HG3  . GLU   A 121 ? 0.341066 0.231541 0.279269  0.0798266   -0.00176091 -0.0441462  133 GLU   B HG3  
1773 N N    . LEU   A 122 ? 0.296554 0.259968 0.206746  0.0632427   -0.0358782  -0.0547437  134 LEU   B N    
1774 C CA   . LEU   A 122 ? 0.284962 0.310264 0.251642  0.0900976   -0.0409101  -0.0689085  134 LEU   B CA   
1775 C C    . LEU   A 122 ? 0.314949 0.307765 0.242052  0.119836    -0.0277292  -0.0574586  134 LEU   B C    
1776 O O    . LEU   A 122 ? 0.321804 0.408361 0.277829  0.131988    -0.00089779 -0.0731585  134 LEU   B O    
1777 C CB   . LEU   A 122 ? 0.261505 0.309822 0.221338  0.0935153   -0.0188664  -0.0758646  134 LEU   B CB   
1778 C CG   . LEU   A 122 ? 0.263701 0.346176 0.224972  0.0968013   -0.0313851  -0.0582106  134 LEU   B CG   
1779 C CD1  . LEU   A 122 ? 0.293419 0.34479  0.23637   0.0869103   -0.0246683  -0.0641651  134 LEU   B CD1  
1780 C CD2  . LEU   A 122 ? 0.29588  0.386863 0.247044  0.0758805   0.00898606  -0.0564767  134 LEU   B CD2  
1781 H H    . LEU   A 122 ? 0.293305 0.270111 0.21514   0.0744137   -0.0341382  -0.0524289  134 LEU   B H    
1782 H HA   . LEU   A 122 ? 0.288942 0.298719 0.244748  0.0882986   -0.0328242  -0.060624   134 LEU   B HA   
1783 H HB2  . LEU   A 122 ? 0.264464 0.311718 0.228481  0.0937708   -0.0249473  -0.0692076  134 LEU   B HB2  
1784 H HB3  . LEU   A 122 ? 0.266685 0.314844 0.222978  0.0913914   -0.0255671  -0.070062   134 LEU   B HB3  
1785 H HG   . LEU   A 122 ? 0.272694 0.340798 0.231031  0.0899476   -0.0194762  -0.0610229  134 LEU   B HG   
1786 H HD11 . LEU   A 122 ? 0.285993 0.343933 0.235292  0.0872171   -0.0257806  -0.0601561  134 LEU   B HD11 
1787 H HD12 . LEU   A 122 ? 0.288193 0.344722 0.235332  0.08782     -0.0253464  -0.0596295  134 LEU   B HD12 
1788 H HD13 . LEU   A 122 ? 0.286794 0.345124 0.235169  0.0859529   -0.0259768  -0.0596076  134 LEU   B HD13 
1789 H HD21 . LEU   A 122 ? 0.287948 0.372941 0.247211  0.0797196   -0.00311293 -0.0537699  134 LEU   B HD21 
1790 H HD22 . LEU   A 122 ? 0.290575 0.375656 0.243563  0.0755203   -0.00442354 -0.0530132  134 LEU   B HD22 
1791 H HD23 . LEU   A 122 ? 0.292207 0.373072 0.243634  0.080867    -0.00250678 -0.0538753  134 LEU   B HD23 
1792 N N    . LEU   A 123 ? 0.346165 0.338271 0.269422  0.162387    -0.0407387  -0.0649226  135 LEU   B N    
1793 C CA   . LEU   A 123 ? 0.385315 0.335181 0.321915  0.163046    -0.0450321  -0.092607   135 LEU   B CA   
1794 C C    . LEU   A 123 ? 0.356846 0.375996 0.335683  0.202009    -0.0673615  -0.110338   135 LEU   B C    
1795 O O    . LEU   A 123 ? 0.405991 0.511929 0.345248  0.233757    -0.0390606  -0.114833   135 LEU   B O    
1796 C CB   . LEU   A 123 ? 0.372119 0.342678 0.360063  0.16591     -0.0337632  -0.0579959  135 LEU   B CB   
1797 C CG   . LEU   A 123 ? 0.447712 0.27314  0.271529  0.123081    -0.0390992  -0.0346418  135 LEU   B CG   
1798 C CD1  . LEU   A 123 ? 0.491738 0.334548 0.262486  0.134622    -0.062982   -0.0404928  135 LEU   B CD1  
1799 C CD2  . LEU   A 123 ? 0.536296 0.304536 0.290384  0.115669    -0.0515295  -0.0536591  135 LEU   B CD2  
1800 H H    . LEU   A 123 ? 0.344109 0.328085 0.273466  0.146126    -0.0368575  -0.0664151  135 LEU   B H    
1801 H HA   . LEU   A 123 ? 0.36933  0.342628 0.315024  0.163708    -0.0459567  -0.0837338  135 LEU   B HA   
1802 H HB2  . LEU   A 123 ? 0.3958   0.329114 0.338164  0.15345     -0.032317   -0.0511238  135 LEU   B HB2  
1803 H HB3  . LEU   A 123 ? 0.393339 0.321765 0.330855  0.152151    -0.0357227  -0.0572565  135 LEU   B HB3  
1804 H HG   . LEU   A 123 ? 0.448957 0.295052 0.289233  0.133342    -0.0437247  -0.0406925  135 LEU   B HG   
1805 H HD11 . LEU   A 123 ? 0.476437 0.320357 0.271036  0.127573    -0.0526732  -0.0356268  135 LEU   B HD11 
1806 H HD12 . LEU   A 123 ? 0.480587 0.319    0.270027  0.128009    -0.0540051  -0.0369488  135 LEU   B HD12 
1807 H HD13 . LEU   A 123 ? 0.478373 0.322623 0.269632  0.123932    -0.0526072  -0.0375584  135 LEU   B HD13 
1808 H HD21 . LEU   A 123 ? 0.504439 0.300656 0.293107  0.114834    -0.0455915  -0.0480888  135 LEU   B HD21 
1809 H HD22 . LEU   A 123 ? 0.50836  0.306237 0.289154  0.109565    -0.0448162  -0.047252   135 LEU   B HD22 
1810 H HD23 . LEU   A 123 ? 0.512015 0.300266 0.289191  0.1161      -0.0468565  -0.0468922  135 LEU   B HD23 
1811 N N    . ASP   A 124 ? 0.343272 0.466755 0.333357  0.177278    -0.0669318  -0.106954   136 ASP   B N    
1812 C CA   . ASP   A 124 ? 0.318981 0.526478 0.403074  0.180484    -0.0548142  -0.115151   136 ASP   B CA   
1813 C C    . ASP   A 124 ? 0.285957 0.622213 0.3434    0.149304    -0.0292393  -0.109337   136 ASP   B C    
1814 O O    . ASP   A 124 ? 0.292402 0.565682 0.299802  0.168051    -0.0155882  -0.0488752  136 ASP   B O    
1815 C CB   . ASP   A 124 ? 0.344719 0.595435 0.480125  0.218101    -0.0564303  -0.114956   136 ASP   B CB   
1816 C CG   . ASP   A 124 ? 0.375942 0.693894 0.540822  0.251858    -0.0318224  -0.0598017  136 ASP   B CG   
1817 O OD1  . ASP   A 124 ? 0.415389 0.692967 0.621759  0.198877    -0.0295601  -0.0919455  136 ASP   B OD1  
1818 O OD2  . ASP   A 124 ? 0.375407 0.805198 0.732091  0.279717    -0.132785   -0.0788935  136 ASP   B OD2  
1819 H H    . ASP   A 124 ? 0.344959 0.452687 0.349151  0.17654     -0.0632328  -0.10403    136 ASP   B H    
1820 H HA   . ASP   A 124 ? 0.327514 0.537022 0.396199  0.176292    -0.0527043  -0.109092   136 ASP   B HA   
1821 H HB2  . ASP   A 124 ? 0.348931 0.586636 0.46779   0.209448    -0.048118   -0.100116   136 ASP   B HB2  
1822 H HB3  . ASP   A 124 ? 0.34805  0.588818 0.47247   0.20918     -0.048014   -0.0994682  136 ASP   B HB3  
1823 N N    . PHE   A 125 ? 0.267859 0.670874 0.400384  0.161848    0.00057866  -0.148097   137 PHE   B N    
1824 C CA   . PHE   A 125 ? 0.276439 0.696658 0.352458  0.173475    0.0012235   -0.144708   137 PHE   B CA   
1825 C C    . PHE   A 125 ? 0.293049 0.820123 0.42268   0.163767    -0.0493677  -0.148675   137 PHE   B C    
1826 O O    . PHE   A 125 ? 0.307767 0.8831   0.400379  0.173502    -0.0541494  -0.13975    137 PHE   B O    
1827 C CB   . PHE   A 125 ? 0.245666 0.7103   0.344851  0.143231    -0.00669735 -0.136267   137 PHE   B CB   
1828 C CG   . PHE   A 125 ? 0.249595 0.702631 0.344813  0.120171    -0.0365391  -0.0764779  137 PHE   B CG   
1829 C CD1  . PHE   A 125 ? 0.318697 0.698814 0.319114  0.142502    -0.0502718  -0.135515   137 PHE   B CD1  
1830 C CD2  . PHE   A 125 ? 0.350836 0.672543 0.363119  0.101226    -0.0726378  -0.10159    137 PHE   B CD2  
1831 C CE1  . PHE   A 125 ? 0.317257 0.751144 0.33334   0.134544    -0.0390483  -0.0852839  137 PHE   B CE1  
1832 C CE2  . PHE   A 125 ? 0.361032 0.733175 0.344477  0.0899315   -0.0617247  -0.0993931  137 PHE   B CE2  
1833 C CZ   . PHE   A 125 ? 0.370445 0.75573  0.357504  0.0843986   -0.0576381  -0.112394   137 PHE   B CZ   
1834 H H    . PHE   A 125 ? 0.279294 0.658189 0.376938  0.16027     -0.00265161 -0.13304    137 PHE   B H    
1835 H HA   . PHE   A 125 ? 0.27743  0.707042 0.363294  0.160707    -0.00292027 -0.135062   137 PHE   B HA   
1836 H HB2  . PHE   A 125 ? 0.260436 0.693973 0.34954   0.140704    -0.0103938  -0.120119   137 PHE   B HB2  
1837 H HB3  . PHE   A 125 ? 0.252806 0.698286 0.350793  0.1417      -0.00790072 -0.11819    137 PHE   B HB3  
1838 H HD1  . PHE   A 125 ? 0.312321 0.707771 0.334427  0.135804    -0.042395   -0.105814   137 PHE   B HD1  
1839 H HD2  . PHE   A 125 ? 0.330934 0.686266 0.354136  0.100614    -0.0604547  -0.0941351  137 PHE   B HD2  
1840 H HE1  . PHE   A 125 ? 0.337549 0.733715 0.345852  0.125201    -0.0397119  -0.0955722  137 PHE   B HE1  
1841 H HE2  . PHE   A 125 ? 0.363443 0.717457 0.356145  0.0906459   -0.0595502  -0.0983091  137 PHE   B HE2  
1842 H HZ   . PHE   A 125 ? 0.360301 0.742992 0.361711  0.0975075   -0.0520916  -0.0994072  137 PHE   B HZ   
1843 N N    . LYS   A 126 ? 0.310299 0.819011 0.432407  0.177469    -0.0936345  -0.138213   138 LYS   B N    
1844 C CA   . LYS   A 126 ? 0.295097 0.827279 0.547263  0.133571    -0.106092   -0.117404   138 LYS   B CA   
1845 C C    . LYS   A 126 ? 0.266802 0.806551 0.597299  0.133567    -0.107356   -0.115458   138 LYS   B C    
1846 O O    . LYS   A 126 ? 0.308294 0.805544 0.556303  0.137274    -0.118677   -0.163116   138 LYS   B O    
1847 C CB   . LYS   A 126 ? 0.284295 0.74898  0.583925  0.189089    -0.0614358  -0.0751838  138 LYS   B CB   
1848 H H    . LYS   A 126 ? 0.308457 0.81083  0.45498   0.164513    -0.0763874  -0.131278   138 LYS   B H    
1849 H HA   . LYS   A 126 ? 0.30362  0.804475 0.548148  0.149884    -0.0944948  -0.106271   138 LYS   B HA   
1850 H HB2  . LYS   A 126 ? 0.530923 0.530923 0.530923  0           0           0           138 LYS   B HB2  
1851 H HB3  . LYS   A 126 ? 0.530923 0.530923 0.530923  0           0           0           138 LYS   B HB3  
1852 N N    . GLY   A 127 ? 0.236144 0.807276 0.754009  0.0683718   -0.0953519  -0.0935216  139 GLY   B N    
1853 C CA   . GLY   A 127 ? 0.294197 0.760894 0.72983   0.0308722   -0.160724   -0.0666705  139 GLY   B CA   
1854 C C    . GLY   A 127 ? 0.397488 0.655435 0.760883  0.00016815  -0.195705   0.0188062   139 GLY   B C    
1855 O O    . GLY   A 127 ? 0.501498 0.672684 0.816707  0.0421843   -0.251763   -0.0369243  139 GLY   B O    
1856 H H    . GLY   A 127 ? 0.270339 0.793947 0.706467  0.0770934   -0.107208   -0.0875384  139 GLY   B H    
1857 H HA2  . GLY   A 127 ? 0.3166   0.745447 0.735674  0.0341275   -0.145556   -0.0504876  139 GLY   B HA2  
1858 H HA3  . GLY   A 127 ? 0.315441 0.745531 0.738966  0.0342765   -0.145551   -0.0506985  139 GLY   B HA3  
1859 N N    . GLU   A 128 ? 0.475885 0.635078 0.73721   -0.0517733  -0.233416   0.0477608   140 GLU   B N    
1860 C CA   . GLU   A 128 ? 0.6096   0.669519 0.82503   -0.10468    -0.196364   0.0317595   140 GLU   B CA   
1861 C C    . GLU   A 128 ? 0.628168 0.666961 0.902465  -0.163005   -0.118763   0.0929714   140 GLU   B C    
1862 O O    . GLU   A 128 ? 0.685036 0.707647 1.02962   -0.225246   0.0138983   0.0505174   140 GLU   B O    
1863 C CB   . GLU   A 128 ? 0.633344 0.655371 0.728626  -0.1327     -0.272733   -0.0102343  140 GLU   B CB   
1864 O OXT  . GLU   A 128 ? 0.687915 0.694545 0.999468  -0.123874   -0.0835449  0.160736    140 GLU   B OXT  
1865 H H    . GLU   A 128 ? 0.480385 0.6382   0.751895  -0.0390992  -0.213285   0.0411779   140 GLU   B H    
1866 H HA   . GLU   A 128 ? 0.593685 0.664901 0.799667  -0.101151   -0.201593   0.0327976   140 GLU   B HA   
1867 H HB2  . GLU   A 128 ? 0.668213 0.668213 0.668213  0           0           0           140 GLU   B HB2  
1868 H HB3  . GLU   A 128 ? 0.668213 0.668213 0.668213  0           0           0           140 GLU   B HB3  
1869 N N    . GLY   B 1   ? 0.469187 0.408421 0.630471  0.183893    -0.00069198 -0.102759   13  GLY   A N    
1870 C CA   . GLY   B 1   ? 0.383571 0.388364 0.571404  0.178596    -0.00483769 -0.117929   13  GLY   A CA   
1871 C C    . GLY   B 1   ? 0.386607 0.402658 0.48283   0.158608    0.013596    -0.118575   13  GLY   A C    
1872 O O    . GLY   B 1   ? 0.377283 0.459353 0.4378    0.188218    0.0670307   -0.0529556  13  GLY   A O    
1873 H H1   . GLY   B 1   ? 0.450264 0.412128 0.608649  0.169229    -0.00294414 -0.101878   13  GLY   A H1   
1874 H H2   . GLY   B 1   ? 0.443639 0.41098  0.614774  0.175059    -0.00113809 -0.098755   13  GLY   A H2   
1875 H H3   . GLY   B 1   ? 0.443831 0.411667 0.6094    0.173776    -0.00233822 -0.103905   13  GLY   A H3   
1876 H HA2  . GLY   B 1   ? 0.402765 0.399674 0.557534  0.169626    0.00075361  -0.110193   13  GLY   A HA2  
1877 H HA3  . GLY   B 1   ? 0.402532 0.400615 0.556921  0.169396    0.00091469  -0.111503   13  GLY   A HA3  
1878 N N    . ALA   B 2   ? 0.373911 0.445405 0.424802  0.163455    0.00870775  -0.107822   14  ALA   A N    
1879 C CA   . ALA   B 2   ? 0.379545 0.382444 0.431565  0.188275    -0.00486952 -0.0834489  14  ALA   A CA   
1880 C C    . ALA   B 2   ? 0.373996 0.376692 0.352048  0.193313    0.0001981   -0.0576956  14  ALA   A C    
1881 O O    . ALA   B 2   ? 0.444627 0.416693 0.281654  0.234087    0.0262343   -0.0291091  14  ALA   A O    
1882 C CB   . ALA   B 2   ? 0.352195 0.467689 0.443407  0.144424    0.00302716  -0.0905524  14  ALA   A CB   
1883 H H    . ALA   B 2   ? 0.379811 0.425102 0.442908  0.161884    0.00731376  -0.104615   14  ALA   A H    
1884 H HA   . ALA   B 2   ? 0.37483  0.408406 0.420849  0.172105    0.00236789  -0.0812195  14  ALA   A HA   
1885 H HB1  . ALA   B 2   ? 0.363195 0.450586 0.441368  0.152704    0.00094756  -0.0809881  14  ALA   A HB1  
1886 H HB2  . ALA   B 2   ? 0.363661 0.441906 0.441374  0.152299    0.00124429  -0.0834704  14  ALA   A HB2  
1887 H HB3  . ALA   B 2   ? 0.364986 0.443412 0.440066  0.151131    0.00077942  -0.0842439  14  ALA   A HB3  
1888 N N    . PRO   B 3   ? 0.360321 0.310273 0.386232  0.181893    0.00753065  -0.0114854  15  PRO   A N    
1889 C CA   . PRO   B 3   ? 0.319928 0.327621 0.39842   0.178706    -0.0038148  -0.0207817  15  PRO   A CA   
1890 C C    . PRO   B 3   ? 0.492401 0.378914 0.407271  0.12979     -0.0418653  0.0640686   15  PRO   A C    
1891 O O    . PRO   B 3   ? 0.412018 0.432546 0.371734  0.192468    0.0155775   0.0576848   15  PRO   A O    
1892 C CB   . PRO   B 3   ? 0.336146 0.298789 0.374264  0.125385    -0.0304791  -0.0278314  15  PRO   A CB   
1893 C CG   . PRO   B 3   ? 0.334606 0.344738 0.380093  0.139586    0.00687335  -0.0187639  15  PRO   A CG   
1894 C CD   . PRO   B 3   ? 0.393366 0.337449 0.41969   0.152267    -0.019577   -0.0103742  15  PRO   A CD   
1895 H HA   . PRO   B 3   ? 0.326286 0.322862 0.388607  0.166704    -0.00518377 -0.00877945 15  PRO   A HA   
1896 H HB2  . PRO   B 3   ? 0.335368 0.315356 0.379311  0.136313    -0.0162365  -0.0232279  15  PRO   A HB2  
1897 H HB3  . PRO   B 3   ? 0.333382 0.314582 0.37869   0.136296    -0.0156298  -0.0239353  15  PRO   A HB3  
1898 H HG2  . PRO   B 3   ? 0.346869 0.332353 0.385704  0.133875    -0.0049851  -0.0188731  15  PRO   A HG2  
1899 H HG3  . PRO   B 3   ? 0.337964 0.332211 0.382206  0.133963    -0.00140724 -0.0183513  15  PRO   A HG3  
1900 H HD2  . PRO   B 3   ? 0.387467 0.337395 0.404278  0.147635    -0.0107212  -0.0110379  15  PRO   A HD2  
1901 H HD3  . PRO   B 3   ? 0.375351 0.33831  0.402736  0.151965    -0.00748565 -0.0134716  15  PRO   A HD3  
1902 N N    . ALA   B 4   ? 0.427944 0.455856 0.644085  0.210763    -0.119549   0.0026906   16  ALA   A N    
1903 C CA   . ALA   B 4   ? 0.722178 0.37493  0.854519  0.0815378   -0.366022   0.165292    16  ALA   A CA   
1904 C C    . ALA   B 4   ? 0.93207  0.441209 0.961312  -0.0121964  -0.141677   0.139664    16  ALA   A C    
1905 O O    . ALA   B 4   ? 0.977179 0.56651  0.687465  0.151307    0.0418708   0.261407    16  ALA   A O    
1906 C CB   . ALA   B 4   ? 0.579328 0.464607 0.749443  0.113082    -0.257746   0.164374    16  ALA   A CB   
1907 H H    . ALA   B 4   ? 0.515083 0.443404 0.609268  0.151945    -0.163038   0.061947    16  ALA   A H    
1908 H HA   . ALA   B 4   ? 0.765203 0.411876 0.916454  0.100638    -0.363697   0.156647    16  ALA   A HA   
1909 H HB1  . ALA   B 4   ? 0.619553 0.461057 0.772123  0.094263    -0.280575   0.164235    16  ALA   A HB1  
1910 H HB2  . ALA   B 4   ? 0.62007  0.46724  0.772196  0.0929265   -0.283553   0.162177    16  ALA   A HB2  
1911 H HB3  . ALA   B 4   ? 0.61922  0.458929 0.760006  0.0898179   -0.274865   0.169243    16  ALA   A HB3  
1912 N N    . THR   B 5   ? 0.8233   0.757115 0.880633  -0.0940418  0.0817887   0.248135    17  THR   A N    
1913 C CA   . THR   B 5   ? 0.998872 1.05822  1.04648   -0.341208   -0.127936   0.33501     17  THR   A CA   
1914 C C    . THR   B 5   ? 0.922204 1.30518  0.55849   -0.285854   -0.263049   0.274988    17  THR   A C    
1915 O O    . THR   B 5   ? 0.954289 1.17336  1.33575   -0.292774   0.287487    -0.0209007  17  THR   A O    
1916 C CB   . THR   B 5   ? 1.25986  1.35067  0.887279  -0.111851   -0.407617   0.311708    17  THR   A CB   
1917 O OG1  . THR   B 5   ? 1.27808  1.11913  0.504039  -0.124258   -0.544878   0.323376    17  THR   A OG1  
1918 C CG2  . THR   B 5   ? 1.26495  1.1959   0.849471  0.0191472   -0.376659   0.234659    17  THR   A CG2  
1919 H H    . THR   B 5   ? 0.921921 0.75644  0.954945  -0.0666987  -0.03999    0.265383    17  THR   A H    
1920 H HA   . THR   B 5   ? 1.06335  1.05052  1.13244   -0.187653   -0.0959812  0.318402    17  THR   A HA   
1921 H HB   . THR   B 5   ? 1.30284  1.20858  0.926771  -0.128936   -0.414285   0.368891    17  THR   A HB   
1922 H HG1  . THR   B 5   ? 0.867816 0.867816 0.867816  0           0           0           17  THR   A HG1  
1923 H HG21 . THR   B 5   ? 1.42741  1.39781  1.01158   -0.0731515  -0.465117   0.340971    17  THR   A HG21 
1924 H HG22 . THR   B 5   ? 1.4235   1.4097   0.989842  -0.0532178  -0.460775   0.380906    17  THR   A HG22 
1925 H HG23 . THR   B 5   ? 1.29304  1.33086  0.993681  0.0175507   -0.333501   0.264163    17  THR   A HG23 
1926 N N    . VAL   B 6   ? 1.051    0.261427 1.56728   0.31161     -0.335911   0.306       18  VAL   A N    
1927 C CA   . VAL   B 6   ? 0.740659 0.701842 0.15564   0.019797    -0.111979   0.131807    18  VAL   A CA   
1928 C C    . VAL   B 6   ? 0.382438 0.59274  0.221433  0.278232    0.0336271   0.0637472   18  VAL   A C    
1929 O O    . VAL   B 6   ? 0.433731 0.6192   0.234026  0.282031    0.110253    0.139398    18  VAL   A O    
1930 C CB   . VAL   B 6   ? 0.38293  0.43041  0.234696  0.239802    -0.021499   0.0597673   18  VAL   A CB   
1931 C CG1  . VAL   B 6   ? 0.387028 0.416135 0.149234  0.216806    0.00100505  0.0489971   18  VAL   A CG1  
1932 C CG2  . VAL   B 6   ? 0.476949 0.418614 0.243605  0.235544    0.0437666   0.0465135   18  VAL   A CG2  
1933 H H    . VAL   B 6   ? 1.22498  0.650648 0.955647  0.0444348   -0.187178   0.28591     18  VAL   A H    
1934 H HA   . VAL   B 6   ? 0.697479 0.662296 0.375257  0.136892    -0.184326   0.1113      18  VAL   A HA   
1935 H HB   . VAL   B 6   ? 0.429604 0.45589  0.208984  0.199894    -0.0216498  0.0648136   18  VAL   A HB   
1936 H HG11 . VAL   B 6   ? 0.379858 0.416931 0.173248  0.21618     -0.00367203 0.0514445   18  VAL   A HG11 
1937 H HG12 . VAL   B 6   ? 0.381034 0.414823 0.174804  0.214904    -0.00140844 0.0521893   18  VAL   A HG12 
1938 H HG13 . VAL   B 6   ? 0.37968  0.416646 0.163812  0.215376    0.00342634  0.0535146   18  VAL   A HG13 
1939 H HG21 . VAL   B 6   ? 0.445156 0.424193 0.241267  0.22977     0.0268401   0.0497135   18  VAL   A HG21 
1940 H HG22 . VAL   B 6   ? 0.449267 0.425927 0.249748  0.227573    0.0203091   0.0488518   18  VAL   A HG22 
1941 H HG23 . VAL   B 6   ? 0.453392 0.424505 0.25182   0.231326    0.0314377   0.0505175   18  VAL   A HG23 
1942 N N    . THR   B 7   ? 0.425556 0.518278 0.278488  0.268252    0.0503476   0.147387    19  THR   A N    
1943 C CA   . THR   B 7   ? 0.406074 0.579712 0.331202  0.288711    0.146706    0.142656    19  THR   A CA   
1944 C C    . THR   B 7   ? 0.533901 0.581548 0.360997  0.252175    0.163528    0.217407    19  THR   A C    
1945 O O    . THR   B 7   ? 0.486281 0.657663 0.41394   0.312732    0.197248    0.292224    19  THR   A O    
1946 C CB   . THR   B 7   ? 0.439801 0.560109 0.314122  0.246878    0.149314    0.148445    19  THR   A CB   
1947 O OG1  . THR   B 7   ? 0.412439 0.541226 0.28297   0.16946     0.116018    0.0779431   19  THR   A OG1  
1948 C CG2  . THR   B 7   ? 0.491032 0.53632  0.403193  0.237834    0.189291    0.140079    19  THR   A CG2  
1949 H H    . THR   B 7   ? 0.407598 0.535154 0.268985  0.275043    0.0528301   0.132953    19  THR   A H    
1950 H HA   . THR   B 7   ? 0.432013 0.550085 0.318788  0.268783    0.130706    0.146427    19  THR   A HA   
1951 H HB   . THR   B 7   ? 0.446196 0.548039 0.341882  0.229917    0.129471    0.128959    19  THR   A HB   
1952 H HG1  . THR   B 7   ? 0.414277 0.414277 0.414277  0           0           0           19  THR   A HG1  
1953 H HG21 . THR   B 7   ? 0.485552 0.541462 0.382101  0.233213    0.175776    0.137718    19  THR   A HG21 
1954 H HG22 . THR   B 7   ? 0.476762 0.539714 0.380714  0.233628    0.1729      0.137085    19  THR   A HG22 
1955 H HG23 . THR   B 7   ? 0.477345 0.541605 0.39502   0.233649    0.172219    0.137536    19  THR   A HG23 
1956 N N    . GLU   B 8   ? 0.519947 0.856092 0.256509  0.302564    0.171193    0.165199    20  GLU   A N    
1957 C CA   . GLU   B 8   ? 0.698765 0.959685 0.266032  0.216625    0.230978    0.167896    20  GLU   A CA   
1958 C C    . GLU   B 8   ? 0.68146  0.990188 0.380197  0.262347    0.140173    0.219196    20  GLU   A C    
1959 O O    . GLU   B 8   ? 0.710049 1.0175   0.494221  0.361235    0.155331    0.264342    20  GLU   A O    
1960 C CB   . GLU   B 8   ? 0.725671 1.05136  0.24304   0.240509    0.308982    0.0507173   20  GLU   A CB   
1961 H H    . GLU   B 8   ? 0.563459 0.80903  0.314721  0.263108    0.17269     0.165908    20  GLU   A H    
1962 H HA   . GLU   B 8   ? 0.656779 0.93694  0.301383  0.241933    0.212819    0.154085    20  GLU   A HA   
1963 H HB2  . GLU   B 8   ? 0.659981 0.659981 0.659981  0           0           0           20  GLU   A HB2  
1964 H HB3  . GLU   B 8   ? 0.659981 0.659981 0.659981  0           0           0           20  GLU   A HB3  
1965 N N    . GLN   B 9   ? 0.605579 0.954656 0.287405  0.270714    0.0816794   0.172949    21  GLN   A N    
1966 C CA   . GLN   B 9   ? 0.680714 0.888226 0.513067  0.145844    -0.0152244  0.14761     21  GLN   A CA   
1967 C C    . GLN   B 9   ? 0.735486 0.910108 0.735101  0.153035    0.046544    -0.0185891  21  GLN   A C    
1968 O O    . GLN   B 9   ? 0.972343 1.07502  0.335908  0.160615    -0.0190906  -0.0014084  21  GLN   A O    
1969 C CB   . GLN   B 9   ? 0.565658 0.929188 0.280325  0.16173     -0.0698384  0.112019    21  GLN   A CB   
1970 H H    . GLN   B 9   ? 0.633527 0.914518 0.362664  0.248352    0.0729379   0.196271    21  GLN   A H    
1971 H HA   . GLN   B 9   ? 0.660844 0.911748 0.484578  0.182141    0.0149544   0.12058     21  GLN   A HA   
1972 H HB2  . GLN   B 9   ? 0.755603 0.755603 0.755603  0           0           0           21  GLN   A HB2  
1973 H HB3  . GLN   B 9   ? 0.755603 0.755603 0.755603  0           0           0           21  GLN   A HB3  
1974 N N    . GLY   B 10  ? 0.497346 0.769837 0.677433  0.318342    0.0635297   0.0601547   22  GLY   A N    
1975 C CA   . GLY   B 10  ? 0.703353 0.525909 0.351807  0.250813    -0.0563398  0.0352631   22  GLY   A CA   
1976 C C    . GLY   B 10  ? 0.526588 0.521267 0.2229    0.188606    0.0263259   0.0409773   22  GLY   A C    
1977 O O    . GLY   B 10  ? 0.487147 0.536226 0.236031  0.236614    0.0733579   0.0845005   22  GLY   A O    
1978 H H    . GLY   B 10  ? 0.586786 0.733669 0.625044  0.259022    0.0178059   0.054111    22  GLY   A H    
1979 H HA2  . GLY   B 10  ? 0.631759 0.551032 0.399444  0.251387    -0.00595218 0.0485567   22  GLY   A HA2  
1980 H HA3  . GLY   B 10  ? 0.633687 0.553775 0.369004  0.25582     -0.0163925  0.0488581   22  GLY   A HA3  
1981 N N    . GLU   B 11  ? 0.476789 0.398991 0.167195  0.210073    0.0663562   0.0496246   23  GLU   A N    
1982 C CA   . GLU   B 11  ? 0.418066 0.390679 0.15648   0.189825    0.00520772  0.054899    23  GLU   A CA   
1983 C C    . GLU   B 11  ? 0.352561 0.34767  0.143113  0.159798    0.0471374   0.0700986   23  GLU   A C    
1984 O O    . GLU   B 11  ? 0.36645  0.363708 0.143132  0.159996    0.027965    0.0795222   23  GLU   A O    
1985 C CB   . GLU   B 11  ? 0.434942 0.400731 0.205154  0.211361    -0.0254892  -0.00755786 23  GLU   A CB   
1986 H H    . GLU   B 11  ? 0.467408 0.412512 0.18294   0.195322    0.0427099   0.0507261   23  GLU   A H    
1987 H HA   . GLU   B 11  ? 0.413768 0.383295 0.170328  0.186016    0.0211366   0.0471934   23  GLU   A HA   
1988 H HB2  . GLU   B 11  ? 0.345252 0.345252 0.345252  0           0           0           23  GLU   A HB2  
1989 H HB3  . GLU   B 11  ? 0.345252 0.345252 0.345252  0           0           0           23  GLU   A HB3  
1990 N N    . ASP   B 12  ? 0.370914 0.364387 0.176093  0.15183     0.0415746   0.0633428   24  ASP   A N    
1991 C CA   . ASP   B 12  ? 0.311203 0.330558 0.194068  0.130025    0.0226409   0.0540968   24  ASP   A CA   
1992 C C    . ASP   B 12  ? 0.298378 0.334274 0.194208  0.111273    0.0143352   0.0620413   24  ASP   A C    
1993 O O    . ASP   B 12  ? 0.314761 0.372081 0.220622  0.147334    0.0120501   0.067765    24  ASP   A O    
1994 C CB   . ASP   B 12  ? 0.324404 0.362847 0.235924  0.118622    0.0503555   0.102724    24  ASP   A CB   
1995 C CG   . ASP   B 12  ? 0.31627  0.34855  0.233529  0.0824247   0.0553667   0.103445    24  ASP   A CG   
1996 O OD1  . ASP   B 12  ? 0.326909 0.343186 0.227876  0.0963142   0.0600232   0.105347    24  ASP   A OD1  
1997 O OD2  . ASP   B 12  ? 0.297875 0.415347 0.228354  0.069116    0.0470615   0.120157    24  ASP   A OD2  
1998 H H    . ASP   B 12  ? 0.350615 0.351181 0.179754  0.145337    0.0376701   0.0614666   24  ASP   A H    
1999 H HA   . ASP   B 12  ? 0.319053 0.3403   0.198158  0.125582    0.0279112   0.065848    24  ASP   A HA   
2000 H HB2  . ASP   B 12  ? 0.319744 0.349862 0.227031  0.109543    0.0432851   0.0884542   24  ASP   A HB2  
2001 H HB3  . ASP   B 12  ? 0.319153 0.350152 0.227997  0.109554    0.0437557   0.0876923   24  ASP   A HB3  
2002 N N    . ILE   B 13  ? 0.291152 0.318603 0.178411  0.100351    0.0232025   0.0475054   25  ILE   A N    
2003 C CA   . ILE   B 13  ? 0.285593 0.286826 0.215853  0.0970233   0.00452686  0.0276234   25  ILE   A CA   
2004 C C    . ILE   B 13  ? 0.281878 0.264871 0.224952  0.114756    0.0307535   0.02629     25  ILE   A C    
2005 O O    . ILE   B 13  ? 0.288992 0.292775 0.302938  0.107314    0.0457273   0.00867002  25  ILE   A O    
2006 C CB   . ILE   B 13  ? 0.301933 0.26919  0.231303  0.110599    -0.0101914  0.00823052  25  ILE   A CB   
2007 C CG1  . ILE   B 13  ? 0.284408 0.263965 0.248298  0.12121     -0.0211006  -0.0272621  25  ILE   A CG1  
2008 C CG2  . ILE   B 13  ? 0.305376 0.299157 0.27899   0.133877    -0.0319945  -0.00109072 25  ILE   A CG2  
2009 C CD1  . ILE   B 13  ? 0.32092  0.295726 0.246155  0.121645    -0.0240391  -0.0140729  25  ILE   A CD1  
2010 H H    . ILE   B 13  ? 0.290998 0.312829 0.194258  0.0997464   0.0162945   0.0443739   25  ILE   A H    
2011 H HA   . ILE   B 13  ? 0.288231 0.285357 0.214559  0.101384    0.0090718   0.0276025   25  ILE   A HA   
2012 H HB   . ILE   B 13  ? 0.297683 0.276319 0.240884  0.110291    -0.0131457  0.00368716  25  ILE   A HB   
2013 H HG12 . ILE   B 13  ? 0.288375 0.270681 0.24333   0.116774    -0.0167454  -0.0164511  25  ILE   A HG12 
2014 H HG13 . ILE   B 13  ? 0.293766 0.267569 0.240609  0.115332    -0.0182502  -0.019494   25  ILE   A HG13 
2015 H HG21 . ILE   B 13  ? 0.305951 0.295384 0.264759  0.124517    -0.0248417  0.00015005  25  ILE   A HG21 
2016 H HG22 . ILE   B 13  ? 0.306552 0.291272 0.264402  0.122338    -0.02463    0.00174993  25  ILE   A HG22 
2017 H HG23 . ILE   B 13  ? 0.305137 0.291256 0.265088  0.122308    -0.0237138  0.00128326  25  ILE   A HG23 
2018 H HD11 . ILE   B 13  ? 0.314231 0.285879 0.248671  0.115506    -0.0237909  -0.0163124  25  ILE   A HD11 
2019 H HD12 . ILE   B 13  ? 0.309651 0.286001 0.248488  0.117178    -0.0229635  -0.0165511  25  ILE   A HD12 
2020 H HD13 . ILE   B 13  ? 0.309798 0.288266 0.250722  0.1172      -0.0228032  -0.0146268  25  ILE   A HD13 
2021 N N    . THR   B 14  ? 0.273031 0.261647 0.245006  0.111174    0.0387472   0.0528134   26  THR   A N    
2022 C CA   . THR   B 14  ? 0.294528 0.263298 0.259956  0.108527    0.0333141   0.0400068   26  THR   A CA   
2023 C C    . THR   B 14  ? 0.358461 0.256785 0.282622  0.12271     0.00300809  0.0454228   26  THR   A C    
2024 O O    . THR   B 14  ? 0.415717 0.298847 0.305171  0.119009    -0.0227734  0.0709274   26  THR   A O    
2025 C CB   . THR   B 14  ? 0.290822 0.270025 0.267456  0.110902    0.0653251   0.0464869   26  THR   A CB   
2026 O OG1  . THR   B 14  ? 0.314977 0.298059 0.249049  0.107176    0.051453    0.0741255   26  THR   A OG1  
2027 C CG2  . THR   B 14  ? 0.277317 0.281328 0.251883  0.0895573   0.0465015   0.0681443   26  THR   A CG2  
2028 H H    . THR   B 14  ? 0.275661 0.26359  0.241623  0.108572    0.0359367   0.0422601   26  THR   A H    
2029 H HA   . THR   B 14  ? 0.300413 0.263883 0.263145  0.108745    0.0345172   0.043336    26  THR   A HA   
2030 H HB   . THR   B 14  ? 0.292686 0.27239  0.257367  0.103548    0.0523146   0.0493273   26  THR   A HB   
2031 H HG1  . THR   B 14  ? 0.287499 0.287499 0.287499  0           0           0           26  THR   A HG1  
2032 H HG21 . THR   B 14  ? 0.277866 0.278289 0.256029  0.0905918   0.0491023   0.0608552   26  THR   A HG21 
2033 H HG22 . THR   B 14  ? 0.279809 0.280147 0.25768   0.0911541   0.049294    0.0624331   26  THR   A HG22 
2034 H HG23 . THR   B 14  ? 0.278935 0.277866 0.255241  0.0913574   0.0509618   0.0613892   26  THR   A HG23 
2035 N N    . SER   B 15  ? 0.404886 0.258283 0.383307  0.127616    -0.00788052 0.0158251   27  SER   A N    
2036 C CA   . SER   B 15  ? 0.454934 0.284618 0.51373   0.143175    -0.004077   0.0584567   27  SER   A CA   
2037 C C    . SER   B 15  ? 0.443705 0.251093 0.497264  0.149097    -0.0201788  0.0623702   27  SER   A C    
2038 O O    . SER   B 15  ? 0.533812 0.295417 0.529232  0.147024    -0.0988806  0.0642181   27  SER   A O    
2039 C CB   . SER   B 15  ? 0.46308  0.353408 0.663017  0.191336    0.0533829   0.0533614   27  SER   A CB   
2040 O OG   . SER   B 15  ? 0.494694 0.364168 0.793811  0.280758    0.0207779   0.10276     27  SER   A OG   
2041 H H    . SER   B 15  ? 0.395762 0.265781 0.381784  0.126923    -0.0040357  0.028596    27  SER   A H    
2042 H HA   . SER   B 15  ? 0.44122  0.28401  0.494113  0.146356    0.00552993  0.0501158   27  SER   A HA   
2043 H HB2  . SER   B 15  ? 0.471302 0.342756 0.64551   0.194128    0.0387676   0.0653751   27  SER   A HB2  
2044 H HB3  . SER   B 15  ? 0.477137 0.359047 0.646543  0.185405    0.0422497   0.0536691   27  SER   A HB3  
2045 H HG   . SER   B 15  ? 0.671633 0.671633 0.671633  0           0           0           27  SER   A HG   
2046 N N    . LYS   B 16  ? 0.456347 0.247589 0.443153  0.0705722   -0.0466294  0.076328    28  LYS   A N    
2047 C CA   . LYS   B 16  ? 0.444947 0.276111 0.476297  0.0713759   -0.0246477  0.0755944   28  LYS   A CA   
2048 C C    . LYS   B 16  ? 0.480539 0.285862 0.416278  0.016738    0.00089209  0.127116    28  LYS   A C    
2049 O O    . LYS   B 16  ? 0.460375 0.317474 0.415684  -0.0179681  -0.0159972  0.112461    28  LYS   A O    
2050 C CB   . LYS   B 16  ? 0.46037  0.256204 0.501897  -0.013278   -0.0459384  0.0449033   28  LYS   A CB   
2051 C CG   . LYS   B 16  ? 0.513593 0.332086 0.492455  0.0041387   -0.0569209  0.0595906   28  LYS   A CG   
2052 C CD   . LYS   B 16  ? 0.580383 0.485709 0.537751  -0.034282   -0.0804209  0.0238799   28  LYS   A CD   
2053 C CE   . LYS   B 16  ? 0.666522 0.518125 0.587976  -0.0464715  -0.113728   0.00085937  28  LYS   A CE   
2054 N NZ   . LYS   B 16  ? 0.804632 0.539147 0.594094  -0.0728825  -0.13559    -0.0190934  28  LYS   A NZ   
2055 H H    . LYS   B 16  ? 0.449687 0.254046 0.452542  0.088036    -0.0347533  0.0770951   28  LYS   A H    
2056 H HA   . LYS   B 16  ? 0.453096 0.264961 0.462271  0.0513208   -0.02834    0.0804938   28  LYS   A HA   
2057 H HB2  . LYS   B 16  ? 0.464705 0.282151 0.49238   0.00846554  -0.040397   0.0543317   28  LYS   A HB2  
2058 H HB3  . LYS   B 16  ? 0.454946 0.274078 0.49134   0.00067607  -0.0385517  0.0567789   28  LYS   A HB3  
2059 H HG2  . LYS   B 16  ? 0.505917 0.336372 0.50033   -0.00102496 -0.0597253  0.0517181   28  LYS   A HG2  
2060 H HG3  . LYS   B 16  ? 0.50937  0.34345  0.501374  -0.00556798 -0.0573839  0.047954    28  LYS   A HG3  
2061 H HD2  . LYS   B 16  ? 0.586103 0.462263 0.536974  -0.03163    -0.0767333  0.024546    28  LYS   A HD2  
2062 H HD3  . LYS   B 16  ? 0.582323 0.463288 0.536419  -0.0224262  -0.0796384  0.0249579   28  LYS   A HD3  
2063 H HE2  . LYS   B 16  ? 0.671651 0.516679 0.577123  -0.0468132  -0.107189   0.00254502  28  LYS   A HE2  
2064 H HE3  . LYS   B 16  ? 0.671414 0.517116 0.576639  -0.0463412  -0.106845   0.00252623  28  LYS   A HE3  
2065 H HZ1  . LYS   B 16  ? 0.7594   0.543513 0.594916  -0.0598428  -0.125443   -0.0126081  28  LYS   A HZ1  
2066 H HZ2  . LYS   B 16  ? 0.759689 0.547003 0.594923  -0.0681179  -0.123414   -0.0136444  28  LYS   A HZ2  
2067 H HZ3  . LYS   B 16  ? 0.761361 0.539934 0.600542  -0.0640535  -0.129338   -0.0110435  28  LYS   A HZ3  
2068 N N    A LYS   B 17  ? 0.410043 0.272888 0.366074  0.0570916   0.0104964   0.141101    29  LYS   A N    
2069 N N    B LYS   B 17  ? 0.415727 0.276228 0.368449  0.0577487   0.0110192   0.134169    29  LYS   A N    
2070 C CA   A LYS   B 17  ? 0.426746 0.373115 0.318196  0.0407492   0.011058    0.168043    29  LYS   A CA   
2071 C CA   B LYS   B 17  ? 0.439485 0.369113 0.334086  0.0474343   0.0157561   0.152906    29  LYS   A CA   
2072 C C    A LYS   B 17  ? 0.44591  0.397061 0.354392  0.0285434   0.00351842  0.165917    29  LYS   A C    
2073 C C    B LYS   B 17  ? 0.453395 0.397256 0.354714  0.0316565   0.00660907  0.159475    29  LYS   A C    
2074 O O    A LYS   B 17  ? 0.324599 0.606565 0.592462  -0.0295167  0.0618133   -0.0280684  29  LYS   A O    
2075 O O    B LYS   B 17  ? 0.335384 0.607773 0.585253  -0.031175   0.0616625   -0.0262771  29  LYS   A O    
2076 C CB   A LYS   B 17  ? 0.422422 0.418913 0.320305  0.0475742   0.0146572   0.194247    29  LYS   A CB   
2077 C CB   B LYS   B 17  ? 0.452172 0.402515 0.337576  0.0665917   0.0223297   0.172361    29  LYS   A CB   
2078 C CG   A LYS   B 17  ? 0.431497 0.477786 0.334859  0.069173    -0.0147216  0.176805    29  LYS   A CG   
2079 C CG   B LYS   B 17  ? 0.473214 0.441434 0.36585   0.0980193   7.316e-05   0.142965    29  LYS   A CG   
2080 C CD   A LYS   B 17  ? 0.397696 0.532752 0.381513  0.0715888   -0.0240068  0.121687    29  LYS   A CD   
2081 C CD   B LYS   B 17  ? 0.476341 0.475859 0.412199  0.126455    0.0025996   0.0757647   29  LYS   A CD   
2082 C CE   A LYS   B 17  ? 0.418311 0.609489 0.41282   0.0888808   -0.00690209 0.0929679   29  LYS   A CE   
2083 C CE   B LYS   B 17  ? 0.520294 0.505147 0.444933  0.170032    0.0169927   0.0274631   29  LYS   A CE   
2084 N NZ   A LYS   B 17  ? 0.309258 0.599491 0.348976  0.100299    -0.0297414  0.0817293   29  LYS   A NZ   
2085 N NZ   B LYS   B 17  ? 0.50464  0.435339 0.310728  0.228245    0.00425085  -0.0110583  29  LYS   A NZ   
2086 H H    A LYS   B 17  ? 0.423783 0.295642 0.366923  0.042112    0.00921756  0.139838    29  LYS   A H    
2087 H H    B LYS   B 17  ? 0.429372 0.296694 0.371965  0.0438293   0.0103478   0.132605    29  LYS   A H    
2088 H HA   A LYS   B 17  ? 0.423026 0.368529 0.33545   0.0427607   0.0104799   0.162595    29  LYS   A HA   
2089 H HA   B LYS   B 17  ? 0.435887 0.364497 0.345886  0.0495208   0.0145128   0.149704    29  LYS   A HA   
2090 H HB2  A LYS   B 17  ? 0.42444  0.419338 0.325995  0.0486942   0.00737428  0.178551    29  LYS   A HB2  
2091 H HB2  B LYS   B 17  ? 0.451734 0.402743 0.345466  0.0662973   0.015744    0.156427    29  LYS   A HB2  
2092 H HB3  A LYS   B 17  ? 0.4227   0.419249 0.324223  0.0495345   0.0087027   0.178531    29  LYS   A HB3  
2093 H HB3  B LYS   B 17  ? 0.450276 0.40193  0.343915  0.0672253   0.0170163   0.156217    29  LYS   A HB3  
2094 H HG2  A LYS   B 17  ? 0.423793 0.473958 0.344178  0.0619954   -0.0118222  0.166093    29  LYS   A HG2  
2095 H HG2  B LYS   B 17  ? 0.4701   0.438199 0.372369  0.0931327   0.00368801  0.133287    29  LYS   A HG2  
2096 H HG3  A LYS   B 17  ? 0.421543 0.470892 0.334864  0.0637229   -0.0121623  0.169515    29  LYS   A HG3  
2097 H HG3  B LYS   B 17  ? 0.467994 0.436112 0.365834  0.0946191   0.00413802  0.135499    29  LYS   A HG3  
2098 H HD2  A LYS   B 17  ? 0.411177 0.533429 0.379381  0.0724499   -0.0176164  0.12552     29  LYS   A HD2  
2099 H HD2  B LYS   B 17  ? 0.48398  0.471792 0.410353  0.125885    0.0061805   0.0793303   29  LYS   A HD2  
2100 H HD3  A LYS   B 17  ? 0.410996 0.533583 0.38028   0.0723882   -0.017179   0.124562    29  LYS   A HD3  
2101 H HD3  B LYS   B 17  ? 0.484594 0.472279 0.413668  0.125409    0.00638123  0.0782898   29  LYS   A HD3  
2102 H HE2  A LYS   B 17  ? 0.387666 0.595529 0.390654  0.0863844   -0.0162757  0.0927567   29  LYS   A HE2  
2103 H HE2  B LYS   B 17  ? 0.51328  0.491814 0.410571  0.161426    0.0144719   0.0248696   29  LYS   A HE2  
2104 H HE3  A LYS   B 17  ? 0.392436 0.591191 0.393179  0.0817225   -0.0190493  0.0974321   29  LYS   A HE3  
2105 H HE3  B LYS   B 17  ? 0.508833 0.487506 0.417443  0.167331    0.00981212  0.036022    29  LYS   A HE3  
2106 H HZ1  A LYS   B 17  ? 0.33323  0.594311 0.365988  0.0982706   -0.0193723  0.0802355   29  LYS   A HZ1  
2107 H HZ1  B LYS   B 17  ? 0.507482 0.434536 0.336804  0.213405    0.0126183   -0.0133034  29  LYS   A HZ1  
2108 H HZ2  A LYS   B 17  ? 0.336994 0.596617 0.367839  0.0948827   -0.0220278  0.0826768   29  LYS   A HZ2  
2109 H HZ2  B LYS   B 17  ? 0.503816 0.435331 0.347374  0.216074    0.00549857  0.00343269  29  LYS   A HZ2  
2110 H HZ3  A LYS   B 17  ? 0.325853 0.595609 0.366915  0.0910802   -0.0255343  0.0815052   29  LYS   A HZ3  
2111 H HZ3  B LYS   B 17  ? 0.507552 0.444901 0.349226  0.209689    0.00825885  -0.00172173 29  LYS   A HZ3  
2112 N N    . ASP   B 18  ? 0.353532 0.415501 0.319945  0.00250875  0.0491173   0.174575    30  ASP   A N    
2113 C CA   . ASP   B 18  ? 0.376011 0.384552 0.323427  -0.0132956  0.0433704   0.183812    30  ASP   A CA   
2114 C C    . ASP   B 18  ? 0.294394 0.432759 0.314257  -0.0186981  0.0543878   0.181804    30  ASP   A C    
2115 O O    . ASP   B 18  ? 0.327314 0.52583  0.287836  0.0150356   0.0386416   0.211531    30  ASP   A O    
2116 C CB   . ASP   B 18  ? 0.402006 0.328684 0.33644   -0.012928   0.026133    0.15819     30  ASP   A CB   
2117 C CG   . ASP   B 18  ? 0.33184  0.336896 0.330603  0.0189993   0.0269438   0.15164     30  ASP   A CG   
2118 O OD1  . ASP   B 18  ? 0.328406 0.324501 0.284064  0.00911699  0.02708     0.14437     30  ASP   A OD1  
2119 O OD2  . ASP   B 18  ? 0.424637 0.286322 0.33312   0.0340687   0.0246486   0.099561    30  ASP   A OD2  
2120 H H    A ASP   B 18  ? 0.367757 0.399004 0.324371  -0.0012798  0.043373    0.173801    30  ASP   A H    
2121 H H    B ASP   B 18  ? 0.368804 0.398735 0.324     -0.00092208 0.0442405   0.172593    30  ASP   A H    
2122 H HA   . ASP   B 18  ? 0.359945 0.388276 0.326621  -0.0128884  0.0443785   0.171803    30  ASP   A HA   
2123 H HB2  . ASP   B 18  ? 0.384176 0.343373 0.333951  -0.00398909 0.0320006   0.158104    30  ASP   A HB2  
2124 H HB3  . ASP   B 18  ? 0.379549 0.342145 0.333219  -0.00458027 0.0299338   0.15767     30  ASP   A HB3  
2125 N N    . ARG   B 19  ? 0.278588 0.432541 0.241246  0.0475493   0.0275359   0.176738    31  ARG   A N    
2126 C CA   . ARG   B 19  ? 0.31255  0.416029 0.244399  0.0418264   0.0535541   0.149093    31  ARG   A CA   
2127 C C    . ARG   B 19  ? 0.236484 0.390612 0.208225  0.053758    0.0604519   0.100931    31  ARG   A C    
2128 O O    . ARG   B 19  ? 0.287066 0.463289 0.227361  0.118038    0.0831716   0.12304     31  ARG   A O    
2129 C CB   . ARG   B 19  ? 0.315423 0.492884 0.239285  0.0497987   0.0355175   0.15964     31  ARG   A CB   
2130 C CG   . ARG   B 19  ? 0.352008 0.495468 0.268535  0.0383386   0.0636017   0.219371    31  ARG   A CG   
2131 C CD   . ARG   B 19  ? 0.370934 0.603649 0.248436  0.0233321   0.0693099   0.152615    31  ARG   A CD   
2132 N NE   . ARG   B 19  ? 0.382091 0.609506 0.288667  0.0348868   0.136487    0.133027    31  ARG   A NE   
2133 C CZ   . ARG   B 19  ? 0.330804 0.454594 0.229852  0.0350105   0.0725754   0.125449    31  ARG   A CZ   
2134 N NH1  . ARG   B 19  ? 0.36329  0.600618 0.340626  0.0463833   0.0965488   0.213805    31  ARG   A NH1  
2135 N NH2  . ARG   B 19  ? 0.324381 0.622572 0.316249  0.0746952   0.106277    0.193199    31  ARG   A NH2  
2136 H H    . ARG   B 19  ? 0.278167 0.423661 0.255438  0.0344428   0.0290485   0.169308    31  ARG   A H    
2137 H HA   . ARG   B 19  ? 0.29184  0.423382 0.238535  0.047336    0.0475852   0.143536    31  ARG   A HA   
2138 H HB2  . ARG   B 19  ? 0.322408 0.470413 0.249862  0.0427931   0.0448031   0.164848    31  ARG   A HB2  
2139 H HB3  . ARG   B 19  ? 0.323915 0.474966 0.249711  0.04237     0.045846    0.164682    31  ARG   A HB3  
2140 H HG2  . ARG   B 19  ? 0.34772  0.513984 0.26171   0.0395931   0.0581627   0.186853    31  ARG   A HG2  
2141 H HG3  . ARG   B 19  ? 0.344648 0.507082 0.260487  0.0415508   0.0567381   0.186518    31  ARG   A HG3  
2142 H HD2  . ARG   B 19  ? 0.370108 0.572849 0.25806   0.0299263   0.0797874   0.163174    31  ARG   A HD2  
2143 H HD3  . ARG   B 19  ? 0.369929 0.571527 0.264796  0.0286762   0.080511    0.160105    31  ARG   A HD3  
2144 H HE   . ARG   B 19  ? 0.382789 0.556753 0.273568  0.0349319   0.113052    0.134592    31  ARG   A HE   
2145 H HH11 . ARG   B 19  ? 0.35643  0.550876 0.299633  0.0379175   0.0893378   0.171249    31  ARG   A HH11 
2146 H HH12 . ARG   B 19  ? 0.35555  0.559799 0.299247  0.0491267   0.0890555   0.181391    31  ARG   A HH12 
2147 H HH21 . ARG   B 19  ? 0.339819 0.552541 0.2905    0.0617862   0.0991748   0.168172    31  ARG   A HH21 
2148 H HH22 . ARG   B 19  ? 0.333852 0.568803 0.291911  0.0644329   0.0961614   0.177061    31  ARG   A HH22 
2149 N N    . GLY   B 20  ? 0.249003 0.327085 0.19981   0.060561    0.0586367   0.0969601   32  GLY   A N    
2150 C CA   . GLY   B 20  ? 0.248103 0.293258 0.182428  0.0522484   0.0505668   0.0636835   32  GLY   A CA   
2151 C C    . GLY   B 20  ? 0.231349 0.252673 0.153797  0.0653436   0.0418846   0.038215    32  GLY   A C    
2152 O O    . GLY   B 20  ? 0.256355 0.27491  0.157058  0.047786    0.0417937   0.0593052   32  GLY   A O    
2153 H H    . GLY   B 20  ? 0.245578 0.328381 0.199911  0.0571814   0.0549395   0.08923     32  GLY   A H    
2154 H HA2  . GLY   B 20  ? 0.246434 0.289781 0.181934  0.0557311   0.0495081   0.0642838   32  GLY   A HA2  
2155 H HA3  . GLY   B 20  ? 0.24524  0.28855  0.18194   0.0544518   0.0479845   0.0641915   32  GLY   A HA3  
2156 N N    . VAL   B 21  ? 0.265065 0.244969 0.147646  0.0578714   0.0355068   0.0491276   33  VAL   A N    
2157 C CA   . VAL   B 21  ? 0.257765 0.256403 0.146475  0.0847028   0.0199116   0.0497557   33  VAL   A CA   
2158 C C    . VAL   B 21  ? 0.260421 0.326811 0.13058   0.11247     0.0122726   0.0416752   33  VAL   A C    
2159 O O    . VAL   B 21  ? 0.28053  0.314966 0.141768  0.119079    0.00502889  0.0302063   33  VAL   A O    
2160 C CB   . VAL   B 21  ? 0.284354 0.254366 0.158959  0.0719301   0.0549372   0.0281348   33  VAL   A CB   
2161 C CG1  . VAL   B 21  ? 0.300325 0.290918 0.153008  0.0554768   0.0279016   0.0210617   33  VAL   A CG1  
2162 C CG2  . VAL   B 21  ? 0.279309 0.275494 0.166431  0.0375588   0.037688    0.0318385   33  VAL   A CG2  
2163 H H    . VAL   B 21  ? 0.254295 0.249556 0.152089  0.0648409   0.0328765   0.0468215   33  VAL   A H    
2164 H HA   . VAL   B 21  ? 0.258976 0.259775 0.145852  0.0845214   0.023795    0.0470681   33  VAL   A HA   
2165 H HB   . VAL   B 21  ? 0.281416 0.266495 0.160681  0.0626851   0.0404554   0.0298795   33  VAL   A HB   
2166 H HG11 . VAL   B 21  ? 0.296482 0.280214 0.158659  0.0580215   0.0355825   0.0218093   33  VAL   A HG11 
2167 H HG12 . VAL   B 21  ? 0.295566 0.279347 0.156039  0.0589743   0.0346279   0.0214251   33  VAL   A HG12 
2168 H HG13 . VAL   B 21  ? 0.299021 0.279555 0.158929  0.0589409   0.0332378   0.0223645   33  VAL   A HG13 
2169 H HG21 . VAL   B 21  ? 0.280178 0.268918 0.167406  0.0466588   0.0418614   0.0298865   33  VAL   A HG21 
2170 H HG22 . VAL   B 21  ? 0.2797   0.268876 0.167201  0.0467507   0.0420447   0.0300093   33  VAL   A HG22 
2171 H HG23 . VAL   B 21  ? 0.280482 0.269236 0.167882  0.0461185   0.0425609   0.0294794   33  VAL   A HG23 
2172 N N    . LEU   B 22  ? 0.274286 0.320954 0.123312  0.122852    0.00295553  0.0324684   34  LEU   A N    
2173 C CA   . LEU   B 22  ? 0.279024 0.342948 0.122133  0.126294    -0.0016841  0.0418695   34  LEU   A CA   
2174 C C    . LEU   B 22  ? 0.283731 0.322085 0.123006  0.154737    0.0176587   -0.00171306 34  LEU   A C    
2175 O O    . LEU   B 22  ? 0.315103 0.324386 0.144317  0.145646    -0.00584273 0.0191948   34  LEU   A O    
2176 C CB   . LEU   B 22  ? 0.283295 0.375019 0.168563  0.140897    0.0202793   0.0671767   34  LEU   A CB   
2177 C CG   . LEU   B 22  ? 0.314575 0.419162 0.169726  0.134573    0.11353     0.0970217   34  LEU   A CG   
2178 C CD1  . LEU   B 22  ? 0.302193 0.456511 0.208591  0.119932    0.0995029   0.154481    34  LEU   A CD1  
2179 C CD2  . LEU   B 22  ? 0.350083 0.460635 0.24203   0.122751    0.111322    0.151446    34  LEU   A CD2  
2180 H H    . LEU   B 22  ? 0.270795 0.32324  0.128849  0.118276    0.00416036  0.0376512   34  LEU   A H    
2181 H HA   . LEU   B 22  ? 0.278745 0.334717 0.131947  0.132366    0.00528348  0.0382865   34  LEU   A HA   
2182 H HB2  . LEU   B 22  ? 0.286142 0.367762 0.158803  0.135004    0.0319861   0.0688763   34  LEU   A HB2  
2183 H HB3  . LEU   B 22  ? 0.2872   0.370736 0.165437  0.133071    0.0333181   0.0681648   34  LEU   A HB3  
2184 H HG   . LEU   B 22  ? 0.309349 0.412645 0.175624  0.129219    0.0911567   0.100073    34  LEU   A HG   
2185 H HD11 . LEU   B 22  ? 0.306286 0.437887 0.20036   0.122983    0.0984697   0.13568     34  LEU   A HD11 
2186 H HD12 . LEU   B 22  ? 0.307274 0.440801 0.203037  0.121926    0.100535    0.134427    34  LEU   A HD12 
2187 H HD13 . LEU   B 22  ? 0.307343 0.443053 0.212282  0.121096    0.0990655   0.13867     34  LEU   A HD13 
2188 H HD21 . LEU   B 22  ? 0.346473 0.442021 0.223754  0.121607    0.105286    0.13082     34  LEU   A HD21 
2189 H HD22 . LEU   B 22  ? 0.340296 0.446379 0.237639  0.122381    0.106451    0.137272    34  LEU   A HD22 
2190 H HD23 . LEU   B 22  ? 0.340848 0.445369 0.224606  0.12406     0.107962    0.131753    34  LEU   A HD23 
2191 N N    . LYS   B 23  ? 0.33285  0.336143 0.123578  0.165025    -0.0297928  0.00360806  35  LYS   A N    
2192 C CA   . LYS   B 23  ? 0.352602 0.314725 0.141631  0.190197    -0.0193066  -0.0186725  35  LYS   A CA   
2193 C C    . LYS   B 23  ? 0.390346 0.336532 0.136166  0.180637    -0.0281262  -0.0184109  35  LYS   A C    
2194 O O    . LYS   B 23  ? 0.420236 0.34907  0.147894  0.204559    -0.0116766  -0.00367586 35  LYS   A O    
2195 C CB   . LYS   B 23  ? 0.373856 0.299467 0.148593  0.16933     -0.0193966  -0.0277685  35  LYS   A CB   
2196 C CG   . LYS   B 23  ? 0.361107 0.323654 0.185638  0.163921    -0.060133   -0.0653647  35  LYS   A CG   
2197 C CD   . LYS   B 23  ? 0.332575 0.333994 0.194321  0.145564    -0.0671728  -0.0547544  35  LYS   A CD   
2198 C CE   . LYS   B 23  ? 0.359124 0.303501 0.25826   0.144795    -0.0740513  -0.0869606  35  LYS   A CE   
2199 N NZ   . LYS   B 23  ? 0.352142 0.279033 0.210891  0.162804    -0.0945404  -0.0740424  35  LYS   A NZ   
2200 H H    . LYS   B 23  ? 0.323037 0.325411 0.130279  0.163366    -0.0139574  0.00093994  35  LYS   A H    
2201 H HA   . LYS   B 23  ? 0.357374 0.318629 0.14338   0.175309    -0.0219835  -0.0138001  35  LYS   A HA   
2202 H HB2  . LYS   B 23  ? 0.363904 0.305882 0.156485  0.169291    -0.0262135  -0.0343185  35  LYS   A HB2  
2203 H HB3  . LYS   B 23  ? 0.363751 0.304949 0.156572  0.169725    -0.0280328  -0.0291791  35  LYS   A HB3  
2204 H HG2  . LYS   B 23  ? 0.356046 0.319359 0.181735  0.15747     -0.0488304  -0.0540968  35  LYS   A HG2  
2205 H HG3  . LYS   B 23  ? 0.356089 0.322612 0.187831  0.156021    -0.0486485  -0.0551274  35  LYS   A HG3  
2206 H HD2  . LYS   B 23  ? 0.34342  0.32341  0.209506  0.145694    -0.0651806  -0.0606011  35  LYS   A HD2  
2207 H HD3  . LYS   B 23  ? 0.343043 0.321075 0.204377  0.146636    -0.0664802  -0.0575415  35  LYS   A HD3  
2208 H HE2  . LYS   B 23  ? 0.350956 0.305289 0.236663  0.145497    -0.0752378  -0.074261   35  LYS   A HE2  
2209 H HE3  . LYS   B 23  ? 0.350231 0.30721  0.2477    0.145049    -0.0744573  -0.0796485  35  LYS   A HE3  
2210 H HZ1  . LYS   B 23  ? 0.351416 0.283218 0.217676  0.153429    -0.0860101  -0.0717973  35  LYS   A HZ1  
2211 H HZ2  . LYS   B 23  ? 0.350744 0.282171 0.222085  0.153938    -0.0840251  -0.0761609  35  LYS   A HZ2  
2212 H HZ3  . LYS   B 23  ? 0.351326 0.28401  0.22416   0.152806    -0.0855406  -0.0749536  35  LYS   A HZ3  
2213 N N    . ILE   B 24  ? 0.428252 0.328256 0.16548   0.221791    -0.0569197  -0.0399582  36  ILE   A N    
2214 C CA   . ILE   B 24  ? 0.455316 0.334989 0.171127  0.220984    -0.0545401  -0.0533824  36  ILE   A CA   
2215 C C    . ILE   B 24  ? 0.472989 0.342866 0.225112  0.23688     -0.101927   -0.0921274  36  ILE   A C    
2216 O O    . ILE   B 24  ? 0.520174 0.385572 0.168983  0.225836    -0.0863038  -0.099738   36  ILE   A O    
2217 C CB   . ILE   B 24  ? 0.481992 0.402046 0.16543   0.237271    -0.0380823  -0.0950263  36  ILE   A CB   
2218 C CG1  . ILE   B 24  ? 0.492917 0.452347 0.216967  0.238452    0.00321257  -0.0920106  36  ILE   A CG1  
2219 C CG2  . ILE   B 24  ? 0.516064 0.40643  0.227948  0.252304    -0.0364165  -0.102248   36  ILE   A CG2  
2220 C CD1  . ILE   B 24  ? 0.455084 0.562745 0.250995  0.212314    0.00283997  -0.0503474  36  ILE   A CD1  
2221 H H    . ILE   B 24  ? 0.420986 0.331521 0.165121  0.206361    -0.0461195  -0.0344656  36  ILE   A H    
2222 H HA   . ILE   B 24  ? 0.453832 0.343033 0.176785  0.222749    -0.0595076  -0.0564777  36  ILE   A HA   
2223 H HB   . ILE   B 24  ? 0.480502 0.394138 0.188625  0.232016    -0.0329338  -0.0798561  36  ILE   A HB   
2224 H HG12 . ILE   B 24  ? 0.481547 0.461058 0.22028   0.22503     -0.00409504 -0.082436   36  ILE   A HG12 
2225 H HG13 . ILE   B 24  ? 0.480029 0.457121 0.216319  0.225853    -0.00614142 -0.081426   36  ILE   A HG13 
2226 H HG21 . ILE   B 24  ? 0.50219  0.407807 0.217622  0.238079    -0.0342862  -0.0950829  36  ILE   A HG21 
2227 H HG22 . ILE   B 24  ? 0.503215 0.407868 0.222647  0.238549    -0.0329078  -0.0976513  36  ILE   A HG22 
2228 H HG23 . ILE   B 24  ? 0.503444 0.406487 0.217518  0.239739    -0.0355468  -0.0952943  36  ILE   A HG23 
2229 H HD11 . ILE   B 24  ? 0.481713 0.530878 0.259657  0.205713    -0.00745522 -0.0570061  36  ILE   A HD11 
2230 H HD12 . ILE   B 24  ? 0.504082 0.531729 0.271793  0.195345    -0.0310567  -0.050348   36  ILE   A HD12 
2231 H HD13 . ILE   B 24  ? 0.477164 0.527981 0.262567  0.210522    -0.00310386 -0.0531849  36  ILE   A HD13 
2232 N N    . VAL   B 25  ? 0.506097 0.359196 0.139734  0.24798     -0.121293   -0.0829073  37  VAL   A N    
2233 C CA   . VAL   B 25  ? 0.508222 0.33816  0.173052  0.257881    -0.113167   -0.140001   37  VAL   A CA   
2234 C C    . VAL   B 25  ? 0.580087 0.28465  0.179089  0.238992    -0.0922355  -0.159603   37  VAL   A C    
2235 O O    . VAL   B 25  ? 0.616264 0.405115 0.272533  0.214802    -0.0864971  0.0130817   37  VAL   A O    
2236 C CB   . VAL   B 25  ? 0.516149 0.38882  0.228059  0.2294      -0.141471   -0.109676   37  VAL   A CB   
2237 C CG1  . VAL   B 25  ? 0.539397 0.367768 0.276181  0.241939    -0.17249    -0.0940478  37  VAL   A CG1  
2238 C CG2  . VAL   B 25  ? 0.507456 0.357025 0.254602  0.234227    -0.161111   -0.0876497  37  VAL   A CG2  
2239 H H    . VAL   B 25  ? 0.495133 0.34477  0.166465  0.241285    -0.109766   -0.0839991  37  VAL   A H    
2240 H HA   . VAL   B 25  ? 0.51812  0.343109 0.183376  0.240547    -0.110271   -0.120527   37  VAL   A HA   
2241 H HB   . VAL   B 25  ? 0.513362 0.370281 0.233876  0.231725    -0.139533   -0.10402    37  VAL   A HB   
2242 H HG11 . VAL   B 25  ? 0.527435 0.375977 0.274436  0.231554    -0.158878   -0.0961435  37  VAL   A HG11 
2243 H HG12 . VAL   B 25  ? 0.527146 0.375324 0.268037  0.230507    -0.157056   -0.0946553  37  VAL   A HG12 
2244 H HG13 . VAL   B 25  ? 0.52315  0.375378 0.26751   0.231639    -0.158125   -0.0943376  37  VAL   A HG13 
2245 H HG21 . VAL   B 25  ? 0.498477 0.366504 0.251438  0.226419    -0.151534   -0.08921    37  VAL   A HG21 
2246 H HG22 . VAL   B 25  ? 0.502463 0.365238 0.252211  0.224384    -0.149828   -0.0896437  37  VAL   A HG22 
2247 H HG23 . VAL   B 25  ? 0.50256  0.366295 0.256066  0.225255    -0.150143   -0.0901209  37  VAL   A HG23 
2248 N N    . LYS   B 26  ? 0.536218 0.313944 0.198039  0.227666    -0.0963819  -0.107176   38  LYS   A N    
2249 C CA   . LYS   B 26  ? 0.530904 0.307278 0.23612   0.252735    -0.0920998  -0.0829986  38  LYS   A CA   
2250 C C    . LYS   B 26  ? 0.526778 0.396016 0.265039  0.233711    -0.0895469  -0.150721   38  LYS   A C    
2251 O O    . LYS   B 26  ? 0.651044 0.452396 0.324214  0.270297    -0.0836622  -0.221369   38  LYS   A O    
2252 C CB   . LYS   B 26  ? 0.511386 0.285377 0.207105  0.215014    -0.063622   -0.0718508  38  LYS   A CB   
2253 C CG   . LYS   B 26  ? 0.520023 0.343159 0.212216  0.208622    -0.0667081  -0.0651936  38  LYS   A CG   
2254 C CD   . LYS   B 26  ? 0.562335 0.394711 0.267665  0.158867    -0.14623    0.0111546   38  LYS   A CD   
2255 C CE   . LYS   B 26  ? 0.588901 0.412145 0.272059  0.14107     -0.114939   0.0245286   38  LYS   A CE   
2256 N NZ   . LYS   B 26  ? 0.582042 0.374894 0.395017  0.0983421   -0.0863532  0.046139    38  LYS   A NZ   
2257 H H    . LYS   B 26  ? 0.540343 0.309886 0.207307  0.230657    -0.0894414  -0.108436   38  LYS   A H    
2258 H HA   . LYS   B 26  ? 0.526222 0.322623 0.235013  0.231215    -0.0855263  -0.0913597  38  LYS   A HA   
2259 H HB2  . LYS   B 26  ? 0.509962 0.30224  0.215677  0.21651     -0.0637388  -0.0690711  38  LYS   A HB2  
2260 H HB3  . LYS   B 26  ? 0.510662 0.293609 0.217949  0.219672    -0.0653994  -0.0722239  38  LYS   A HB3  
2261 H HG2  . LYS   B 26  ? 0.51908  0.327594 0.222576  0.200373    -0.0737308  -0.0566059  38  LYS   A HG2  
2262 H HG3  . LYS   B 26  ? 0.52357  0.340126 0.23013   0.193406    -0.075407   -0.051277   38  LYS   A HG3  
2263 H HD2  . LYS   B 26  ? 0.547813 0.382356 0.250142  0.168205    -0.119975   0.00101938  38  LYS   A HD2  
2264 H HD3  . LYS   B 26  ? 0.551725 0.385155 0.258006  0.163456    -0.115967   -0.00319492 38  LYS   A HD3  
2265 H HE2  . LYS   B 26  ? 0.572488 0.399081 0.294196  0.135896    -0.116028   0.0300045   38  LYS   A HE2  
2266 H HE3  . LYS   B 26  ? 0.57615  0.40187  0.299847  0.13544     -0.11143    0.0271153   38  LYS   A HE3  
2267 H HZ1  . LYS   B 26  ? 0.580247 0.387083 0.361469  0.105488    -0.0909896  0.0366436   38  LYS   A HZ1  
2268 H HZ2  . LYS   B 26  ? 0.585523 0.390502 0.375015  0.105679    -0.082923   0.0344309   38  LYS   A HZ2  
2269 H HZ3  . LYS   B 26  ? 0.58233  0.390987 0.361852  0.106239    -0.0904256  0.0379833   38  LYS   A HZ3  
2270 N N    . ARG   B 27  ? 0.497499 0.351715 0.314248  0.207581    -0.178382   -0.15809    39  ARG   A N    
2271 C CA   . ARG   B 27  ? 0.535278 0.279571 0.349897  0.205681    -0.179401   -0.156223   39  ARG   A CA   
2272 C C    . ARG   B 27  ? 0.526102 0.335206 0.287975  0.231422    -0.20287    -0.148974   39  ARG   A C    
2273 O O    . ARG   B 27  ? 0.557799 0.335518 0.339247  0.233093    -0.201355   -0.18172    39  ARG   A O    
2274 C CB   . ARG   B 27  ? 0.510776 0.282585 0.404996  0.208255    -0.184681   -0.142804   39  ARG   A CB   
2275 C CG   . ARG   B 27  ? 0.612075 0.30924  0.385433  0.159372    -0.201485   -0.135899   39  ARG   A CG   
2276 C CD   . ARG   B 27  ? 0.593022 0.299963 0.437085  0.195303    -0.196471   -0.112694   39  ARG   A CD   
2277 N NE   . ARG   B 27  ? 0.618983 0.220305 0.524918  0.133927    -0.164465   -0.111335   39  ARG   A NE   
2278 C CZ   . ARG   B 27  ? 0.590835 0.278684 0.522591  0.151353    -0.176483   -0.114192   39  ARG   A CZ   
2279 N NH1  . ARG   B 27  ? 0.53525  0.257353 0.587769  0.14216     -0.199878   -0.112407   39  ARG   A NH1  
2280 N NH2  . ARG   B 27  ? 0.706776 0.242741 0.518536  0.138587    -0.245608   -0.0872963  39  ARG   A NH2  
2281 H H    . ARG   B 27  ? 0.509619 0.344507 0.314291  0.208299    -0.151977   -0.14648    39  ARG   A H    
2282 H HA   . ARG   B 27  ? 0.519822 0.308966 0.343558  0.206351    -0.178607   -0.147824   39  ARG   A HA   
2283 H HB2  . ARG   B 27  ? 0.515791 0.284616 0.389266  0.201354    -0.183095   -0.138117   39  ARG   A HB2  
2284 H HB3  . ARG   B 27  ? 0.53124  0.290705 0.393176  0.193517    -0.182698   -0.13747    39  ARG   A HB3  
2285 H HG2  . ARG   B 27  ? 0.596274 0.312229 0.401146  0.163411    -0.188152   -0.1291     39  ARG   A HG2  
2286 H HG3  . ARG   B 27  ? 0.582364 0.306348 0.398032  0.173004    -0.188233   -0.129334   39  ARG   A HG3  
2287 H HD2  . ARG   B 27  ? 0.599969 0.294232 0.447412  0.173339    -0.18143    -0.109456   39  ARG   A HD2  
2288 H HD3  . ARG   B 27  ? 0.585952 0.287705 0.445959  0.175271    -0.186592   -0.110902   39  ARG   A HD3  
2289 H HE   . ARG   B 27  ? 0.599196 0.251971 0.503739  0.153585    -0.168545   -0.108714   39  ARG   A HE   
2290 H HH11 . ARG   B 27  ? 0.548882 0.263184 0.565558  0.145382    -0.185726   -0.108533   39  ARG   A HH11 
2291 H HH12 . ARG   B 27  ? 0.549965 0.270872 0.569558  0.142825    -0.186052   -0.110315   39  ARG   A HH12 
2292 H HH21 . ARG   B 27  ? 0.665824 0.264994 0.525746  0.139894    -0.217056   -0.0859615  39  ARG   A HH21 
2293 H HH22 . ARG   B 27  ? 0.665378 0.261427 0.515243  0.140873    -0.216071   -0.085174   39  ARG   A HH22 
2294 N N    . VAL   B 28  ? 0.582652 0.332985 0.314551  0.238259    -0.209288   -0.192011   40  VAL   A N    
2295 C CA   . VAL   B 28  ? 0.569724 0.312035 0.334072  0.204316    -0.2285     -0.146537   40  VAL   A CA   
2296 C C    . VAL   B 28  ? 0.537025 0.314462 0.389997  0.20355     -0.227919   -0.129135   40  VAL   A C    
2297 O O    . VAL   B 28  ? 0.490571 0.355953 0.568756  0.183046    -0.252654   -0.205063   40  VAL   A O    
2298 C CB   . VAL   B 28  ? 0.587188 0.359368 0.318011  0.191568    -0.227205   -0.119711   40  VAL   A CB   
2299 C CG1  . VAL   B 28  ? 0.662255 0.323313 0.30842   0.220581    -0.242375   -0.151932   40  VAL   A CG1  
2300 C CG2  . VAL   B 28  ? 0.615123 0.384533 0.252353  0.207939    -0.19515    -0.14074    40  VAL   A CG2  
2301 H H    . VAL   B 28  ? 0.560238 0.328977 0.305917  0.225011    -0.199529   -0.168975   40  VAL   A H    
2302 H HA   . VAL   B 28  ? 0.562892 0.318377 0.338451  0.200869    -0.217441   -0.145841   40  VAL   A HA   
2303 H HB   . VAL   B 28  ? 0.597987 0.360684 0.3135    0.198555    -0.216523   -0.125171   40  VAL   A HB   
2304 H HG11 . VAL   B 28  ? 0.633928 0.32295  0.312131  0.206075    -0.22953    -0.143246   40  VAL   A HG11 
2305 H HG12 . VAL   B 28  ? 0.635253 0.335788 0.316426  0.207576    -0.229846   -0.138075   40  VAL   A HG12 
2306 H HG13 . VAL   B 28  ? 0.634019 0.334954 0.313092  0.206761    -0.229727   -0.136832   40  VAL   A HG13 
2307 H HG21 . VAL   B 28  ? 0.600324 0.378626 0.266331  0.197626    -0.200948   -0.127405   40  VAL   A HG21 
2308 H HG22 . VAL   B 28  ? 0.601937 0.379392 0.275082  0.195501    -0.198006   -0.129832   40  VAL   A HG22 
2309 H HG23 . VAL   B 28  ? 0.601161 0.377321 0.274408  0.196716    -0.198203   -0.129661   40  VAL   A HG23 
2310 N N    . GLY   B 29  ? 0.45596  0.291059 0.345521  0.162227    -0.210203   -0.107117   41  GLY   A N    
2311 C CA   . GLY   B 29  ? 0.502322 0.329016 0.410591  0.112781    -0.23003    -0.117851   41  GLY   A CA   
2312 C C    . GLY   B 29  ? 0.493251 0.346047 0.382784  0.114811    -0.21486    -0.0900544  41  GLY   A C    
2313 O O    . GLY   B 29  ? 0.610202 0.333431 0.378478  0.158447    -0.235511   -0.109716   41  GLY   A O    
2314 H H    . GLY   B 29  ? 0.480124 0.298563 0.368473  0.155414    -0.21194    -0.111401   41  GLY   A H    
2315 H HA2  . GLY   B 29  ? 0.48671  0.33517  0.391097  0.121405    -0.214651   -0.108039   41  GLY   A HA2  
2316 H HA3  . GLY   B 29  ? 0.486248 0.329713 0.39316   0.122121    -0.215494   -0.102951   41  GLY   A HA3  
2317 N N    . ASN   B 30  ? 0.497114 0.397259 0.370925  0.106169    -0.2323     -0.13831    42  ASN   A N    
2318 C CA   . ASN   B 30  ? 0.446809 0.410012 0.465765  0.129718    -0.226081   -0.123337   42  ASN   A CA   
2319 C C    . ASN   B 30  ? 0.509697 0.421119 0.446109  0.169549    -0.25031    -0.15733    42  ASN   A C    
2320 O O    . ASN   B 30  ? 0.49079  0.542953 0.504543  0.124318    -0.203004   -0.23204    42  ASN   A O    
2321 C CB   . ASN   B 30  ? 0.527838 0.490337 0.529543  0.0789374   -0.184559   -0.122999   42  ASN   A CB   
2322 C CG   . ASN   B 30  ? 0.648916 0.515977 0.569616  0.0776032   -0.0744022  -0.112135   42  ASN   A CG   
2323 O OD1  . ASN   B 30  ? 0.874803 0.525585 0.567758  -0.0380776  -0.0771586  -0.121354   42  ASN   A OD1  
2324 N ND2  . ASN   B 30  ? 0.674762 0.49219  0.60402   0.056721    0.00738561  -0.144292   42  ASN   A ND2  
2325 H H    . ASN   B 30  ? 0.483894 0.387976 0.375391  0.11025     -0.22075    -0.121443   42  ASN   A H    
2326 H HA   . ASN   B 30  ? 0.482334 0.421924 0.457809  0.12058     -0.218845   -0.125151   42  ASN   A HA   
2327 H HB2  . ASN   B 30  ? 0.524866 0.474818 0.525248  0.0864691   -0.171572   -0.112962   42  ASN   A HB2  
2328 H HB3  . ASN   B 30  ? 0.518551 0.472552 0.51716   0.0868494   -0.17111    -0.117603   42  ASN   A HB3  
2329 H HD21 . ASN   B 30  ? 0.669866 0.50836  0.595719  0.0555523   -0.0159339  -0.133214   42  ASN   A HD21 
2330 H HD22 . ASN   B 30  ? 0.659762 0.502567 0.599822  0.061607    -0.0213577  -0.133276   42  ASN   A HD22 
2331 N N    . GLY   B 31  ? 0.55593  0.329849 0.383854  0.197166    -0.232457   -0.210105   43  GLY   A N    
2332 C CA   . GLY   B 31  ? 0.50763  0.398249 0.52499   0.200685    -0.203301   -0.159378   43  GLY   A CA   
2333 C C    . GLY   B 31  ? 0.459702 0.410978 0.451811  0.191431    -0.243519   -0.187971   43  GLY   A C    
2334 O O    . GLY   B 31  ? 0.589879 0.444621 0.503812  0.277875    -0.190301   -0.13587    43  GLY   A O    
2335 H H    . GLY   B 31  ? 0.527199 0.355434 0.398491  0.192415    -0.212245   -0.196679   43  GLY   A H    
2336 H HA2  . GLY   B 31  ? 0.514554 0.384491 0.501921  0.193364    -0.197976   -0.169964   43  GLY   A HA2  
2337 H HA3  . GLY   B 31  ? 0.509601 0.384766 0.474545  0.192102    -0.210476   -0.171975   43  GLY   A HA3  
2338 N N    . GLU   B 32  ? 0.49266  0.388065 0.413525  0.183484    -0.184291   -0.132632   44  GLU   A N    
2339 C CA   . GLU   B 32  ? 0.51567  0.383203 0.414547  0.162061    -0.171624   -0.0955978  44  GLU   A CA   
2340 C C    . GLU   B 32  ? 0.434066 0.327038 0.392632  0.128537    -0.16838    -0.110174   44  GLU   A C    
2341 O O    . GLU   B 32  ? 0.489888 0.316081 0.379052  0.140368    -0.178176   -0.141433   44  GLU   A O    
2342 C CB   . GLU   B 32  ? 0.48771  0.384226 0.373755  0.164616    -0.17322    -0.0882236  44  GLU   A CB   
2343 H H    . GLU   B 32  ? 0.484947 0.392162 0.42406   0.174696    -0.188447   -0.132709   44  GLU   A H    
2344 H HA   . GLU   B 32  ? 0.492965 0.374498 0.405171  0.15717     -0.171713   -0.102      44  GLU   A HA   
2345 H HB2  . GLU   B 32  ? 0.407818 0.407818 0.407818  0           0           0           44  GLU   A HB2  
2346 H HB3  . GLU   B 32  ? 0.407818 0.407818 0.407818  0           0           0           44  GLU   A HB3  
2347 N N    . GLU   B 33  ? 0.399435 0.316609 0.392398  0.149403    -0.171006   -0.134429   45  GLU   A N    
2348 C CA   . GLU   B 33  ? 0.419631 0.283421 0.381652  0.154692    -0.180403   -0.104601   45  GLU   A CA   
2349 C C    . GLU   B 33  ? 0.432439 0.260858 0.373727  0.156997    -0.196291   -0.0961189  45  GLU   A C    
2350 O O    . GLU   B 33  ? 0.461267 0.224354 0.401946  0.137204    -0.223702   -0.104717   45  GLU   A O    
2351 C CB   . GLU   B 33  ? 0.361796 0.382166 0.471524  0.0988546   -0.190876   0.00302766  45  GLU   A CB   
2352 H H    . GLU   B 33  ? 0.411343 0.314145 0.390128  0.141575    -0.167924   -0.117944   45  GLU   A H    
2353 H HA   . GLU   B 33  ? 0.407942 0.291921 0.393994  0.142753    -0.17823    -0.0862592  45  GLU   A HA   
2354 H HB2  . GLU   B 33  ? 0.401105 0.401105 0.401105  0           0           0           45  GLU   A HB2  
2355 H HB3  . GLU   B 33  ? 0.401105 0.401105 0.401105  0           0           0           45  GLU   A HB3  
2356 N N    . THR   B 34  ? 0.374116 0.232305 0.363092  0.149235    -0.179102   -0.0853978  46  THR   A N    
2357 C CA   . THR   B 34  ? 0.351564 0.230029 0.33419   0.125872    -0.143708   -0.0819184  46  THR   A CA   
2358 C C    . THR   B 34  ? 0.361791 0.228091 0.350054  0.090616    -0.13154    -0.0667013  46  THR   A C    
2359 O O    . THR   B 34  ? 0.386242 0.303728 0.351447  0.137909    -0.142546   -0.103649   46  THR   A O    
2360 C CB   . THR   B 34  ? 0.390778 0.23622  0.315588  0.111004    -0.118182   -0.0751442  46  THR   A CB   
2361 O OG1  . THR   B 34  ? 0.390752 0.216431 0.315451  0.123013    -0.118882   -0.0533144  46  THR   A OG1  
2362 C CG2  . THR   B 34  ? 0.4165   0.2647   0.333064  0.117634    -0.0885944  -0.0836112  46  THR   A CG2  
2363 H H    . THR   B 34  ? 0.375101 0.23282  0.357349  0.145716    -0.169995   -0.0822846  46  THR   A H    
2364 H HA   . THR   B 34  ? 0.362069 0.2287   0.338075  0.119584    -0.13934    -0.0749367  46  THR   A HA   
2365 H HB   . THR   B 34  ? 0.382757 0.238598 0.320922  0.113816    -0.113842   -0.0710448  46  THR   A HB   
2366 H HG1  . THR   B 34  ? 0.301937 0.301937 0.301937  0           0           0           46  THR   A HG1  
2367 H HG21 . THR   B 34  ? 0.408196 0.259728 0.328892  0.112499    -0.0937677  -0.0786317  46  THR   A HG21 
2368 H HG22 . THR   B 34  ? 0.411368 0.259025 0.332393  0.112275    -0.0900109  -0.0784026  46  THR   A HG22 
2369 H HG23 . THR   B 34  ? 0.407347 0.262784 0.328519  0.110368    -0.0934465  -0.0786923  46  THR   A HG23 
2370 N N    . PRO   B 35  ? 0.319459 0.210684 0.317036  0.0896324   -0.109523   -0.0443504  47  PRO   A N    
2371 C CA   . PRO   B 35  ? 0.336657 0.210519 0.330307  0.0683186   -0.0919663  -0.0200453  47  PRO   A CA   
2372 C C    . PRO   B 35  ? 0.298681 0.206881 0.278086  0.0542297   -0.0881476  -0.0255583  47  PRO   A C    
2373 O O    . PRO   B 35  ? 0.310263 0.186786 0.286811  0.0603979   -0.0653766  -0.0325299  47  PRO   A O    
2374 C CB   . PRO   B 35  ? 0.342999 0.183657 0.324525  0.0746417   -0.077856   -0.0214678  47  PRO   A CB   
2375 C CG   . PRO   B 35  ? 0.334991 0.234574 0.316176  0.0717644   -0.0888949  -0.0147939  47  PRO   A CG   
2376 C CD   . PRO   B 35  ? 0.302075 0.221793 0.282886  0.0805154   -0.0766383  -0.0437471  47  PRO   A CD   
2377 H HA   . PRO   B 35  ? 0.327839 0.208892 0.314959  0.0703426   -0.089192   -0.0252169  47  PRO   A HA   
2378 H HB2  . PRO   B 35  ? 0.337404 0.202945 0.319848  0.0695716   -0.0804905  -0.0198895  47  PRO   A HB2  
2379 H HB3  . PRO   B 35  ? 0.337136 0.19923  0.322524  0.0682521   -0.0801402  -0.0174886  47  PRO   A HB3  
2380 H HG2  . PRO   B 35  ? 0.329673 0.225605 0.309848  0.0742665   -0.0799488  -0.0219355  47  PRO   A HG2  
2381 H HG3  . PRO   B 35  ? 0.32893  0.22707  0.310054  0.0709034   -0.0798967  -0.0235497  47  PRO   A HG3  
2382 H HD2  . PRO   B 35  ? 0.308908 0.221599 0.295252  0.0767682   -0.0818944  -0.0354706  47  PRO   A HD2  
2383 H HD3  . PRO   B 35  ? 0.31124  0.22001  0.296297  0.0781533   -0.084009   -0.037598   47  PRO   A HD3  
2384 N N    . MET   B 36  ? 0.29791  0.20806  0.283306  0.0498071   -0.0621445  -0.00218564 48  MET   A N    
2385 C CA   . MET   B 36  ? 0.30424  0.192535 0.291077  0.068115    -0.0544628  0.00992526  48  MET   A CA   
2386 C C    . MET   B 36  ? 0.26475  0.16496  0.289009  0.0688022   -0.0615206  -0.00588495 48  MET   A C    
2387 O O    . MET   B 36  ? 0.258365 0.184121 0.287291  0.0637367   -0.0360194  0.0201853   48  MET   A O    
2388 C CB   . MET   B 36  ? 0.324442 0.225327 0.337545  0.060642    -0.0616917  -0.00353278 48  MET   A CB   
2389 C CG   . MET   B 36  ? 0.378115 0.215344 0.364313  0.0494685   -0.0805259  -0.0207026  48  MET   A CG   
2390 S SD   . MET   B 36  ? 0.384249 0.233571 0.315193  0.0757751   -0.0873642  -0.01381    48  MET   A SD   
2391 C CE   . MET   B 36  ? 0.409261 0.29436  0.336618  0.0409412   -0.0814412  -0.0446307  48  MET   A CE   
2392 H H    . MET   B 36  ? 0.297373 0.204944 0.2842    0.0521521   -0.0643238  -0.00413291 48  MET   A H    
2393 H HA   . MET   B 36  ? 0.296123 0.195338 0.293528  0.0609583   -0.0559131  0.00369721  48  MET   A HA   
2394 H HB2  . MET   B 36  ? 0.329842 0.219418 0.331487  0.0593464   -0.0623165  -0.00409305 48  MET   A HB2  
2395 H HB3  . MET   B 36  ? 0.32958  0.222163 0.331344  0.0582164   -0.0620555  -0.00149566 48  MET   A HB3  
2396 H HG2  . MET   B 36  ? 0.3655   0.222491 0.346729  0.0562682   -0.0742449  -0.0153787  48  MET   A HG2  
2397 H HG3  . MET   B 36  ? 0.371272 0.224329 0.34784   0.0554088   -0.0755318  -0.0142702  48  MET   A HG3  
2398 H HE1  . MET   B 36  ? 0.401886 0.286153 0.336186  0.0492987   -0.0813997  -0.0382171  48  MET   A HE1  
2399 H HE2  . MET   B 36  ? 0.402242 0.289681 0.333176  0.0469971   -0.0812053  -0.0335965  48  MET   A HE2  
2400 H HE3  . MET   B 36  ? 0.403461 0.283632 0.332788  0.0487076   -0.0811793  -0.0353264  48  MET   A HE3  
2401 N N    . ILE   B 37  ? 0.241671 0.158302 0.25648   0.0666058   -0.0631215  0.0221174   49  ILE   A N    
2402 C CA   . ILE   B 37  ? 0.215474 0.175671 0.247088  0.0563712   -0.0393072  0.0221133   49  ILE   A CA   
2403 C C    . ILE   B 37  ? 0.221001 0.181974 0.288675  0.0610206   -0.00942716 0.0114411   49  ILE   A C    
2404 O O    . ILE   B 37  ? 0.231015 0.202539 0.309572  0.0487677   -0.00542829 0.0425906   49  ILE   A O    
2405 C CB   . ILE   B 37  ? 0.25065  0.181394 0.241757  0.0482211   -0.0439069  0.0110789   49  ILE   A CB   
2406 C CG1  . ILE   B 37  ? 0.318099 0.229065 0.252151  0.0390653   -0.00931019 0.00537775  49  ILE   A CG1  
2407 C CG2  . ILE   B 37  ? 0.238447 0.201905 0.24044   0.0662419   -0.0325391  -0.0103133  49  ILE   A CG2  
2408 C CD1  . ILE   B 37  ? 0.351635 0.241137 0.344817  0.0290226   -0.0225756  0.0289195   49  ILE   A CD1  
2409 H H    . ILE   B 37  ? 0.241836 0.161743 0.256404  0.0631784   -0.055146   0.02014     49  ILE   A H    
2410 H HA   . ILE   B 37  ? 0.222847 0.174494 0.254372  0.0591221   -0.0390312  0.0186809   49  ILE   A HA   
2411 H HB   . ILE   B 37  ? 0.247071 0.191093 0.242973  0.0519578   -0.0354069  0.00902284  49  ILE   A HB   
2412 H HG12 . ILE   B 37  ? 0.310245 0.220083 0.265607  0.0348755   -0.0166435  0.00889596  49  ILE   A HG12 
2413 H HG13 . ILE   B 37  ? 0.303197 0.217186 0.259174  0.0379913   -0.0207363  0.00890649  49  ILE   A HG13 
2414 H HG21 . ILE   B 37  ? 0.24251  0.200677 0.241486  0.0592857   -0.0343628  -0.00302326 49  ILE   A HG21 
2415 H HG22 . ILE   B 37  ? 0.241236 0.197665 0.240677  0.0591652   -0.0346448  -0.00335924 49  ILE   A HG22 
2416 H HG23 . ILE   B 37  ? 0.241175 0.197724 0.240868  0.0589764   -0.0341782  -0.0033818  49  ILE   A HG23 
2417 H HD11 . ILE   B 37  ? 0.344198 0.240655 0.316567  0.030278    -0.0158348  0.0206535   49  ILE   A HD11 
2418 H HD12 . ILE   B 37  ? 0.34524  0.240319 0.318541  0.0332602   -0.0205075  0.0202973   49  ILE   A HD12 
2419 H HD13 . ILE   B 37  ? 0.339976 0.240748 0.325868  0.0329869   -0.0155057  0.0251422   49  ILE   A HD13 
2420 N N    . GLY   B 38  ? 0.220244 0.200728 0.307329  0.0731984   -0.00680939 0.034682    50  GLY   A N    
2421 C CA   . GLY   B 38  ? 0.212474 0.222418 0.32718   0.0612936   0.00197506  0.0481468   50  GLY   A CA   
2422 C C    . GLY   B 38  ? 0.243409 0.235756 0.390874  0.0570051   -0.0151428  0.0836569   50  GLY   A C    
2423 O O    . GLY   B 38  ? 0.289461 0.254086 0.395974  0.0231841   -0.0105552  0.134045    50  GLY   A O    
2424 H H    . GLY   B 38  ? 0.219627 0.201088 0.303495  0.0659375   -0.00584535 0.0310125   50  GLY   A H    
2425 H HA2  . GLY   B 38  ? 0.223152 0.22174  0.330588  0.0627446   -0.00395856 0.0502472   50  GLY   A HA2  
2426 H HA3  . GLY   B 38  ? 0.219531 0.221056 0.331576  0.0640855   -0.00296042 0.050151    50  GLY   A HA3  
2427 N N    . ASP   B 39  ? 0.22097  0.210866 0.399825  0.0298539   -0.0163308  0.0696883   51  ASP   A N    
2428 C CA   . ASP   B 39  ? 0.248415 0.216277 0.439167  0.0388433   -0.024245   0.0573721   51  ASP   A CA   
2429 C C    . ASP   B 39  ? 0.244193 0.224121 0.439676  0.0264346   -0.0432786  0.0648015   51  ASP   A C    
2430 O O    . ASP   B 39  ? 0.227825 0.25582  0.38507   0.0314829   -0.0466057  0.0821255   51  ASP   A O    
2431 C CB   . ASP   B 39  ? 0.252634 0.197443 0.419317  0.0014044   -0.0768833  0.0249036   51  ASP   A CB   
2432 C CG   . ASP   B 39  ? 0.222836 0.220247 0.421435  0.00599439  -0.0569008  0.0258652   51  ASP   A CG   
2433 O OD1  . ASP   B 39  ? 0.237608 0.25583  0.480085  0.0281917   -0.0782205  0.0512417   51  ASP   A OD1  
2434 O OD2  . ASP   B 39  ? 0.267597 0.228618 0.452676  -0.00398059 -0.0776875  0.0366288   51  ASP   A OD2  
2435 H H    . ASP   B 39  ? 0.233041 0.216849 0.39755   0.0368881   -0.0152891  0.0705309   51  ASP   A H    
2436 H HA   . ASP   B 39  ? 0.247996 0.216787 0.425259  0.0287626   -0.0346578  0.0553262   51  ASP   A HA   
2437 H HB2  . ASP   B 39  ? 0.249339 0.209459 0.419765  0.0135024   -0.057853   0.0319997   51  ASP   A HB2  
2438 H HB3  . ASP   B 39  ? 0.24744  0.20432  0.420253  0.0129896   -0.0574809  0.0315421   51  ASP   A HB3  
2439 N N    . LYS   B 40  ? 0.238139 0.239089 0.516853  0.0399974   -0.0624704  0.102043    52  LYS   A N    
2440 C CA   . LYS   B 40  ? 0.238633 0.228123 0.5112    0.024122    -0.0629743  0.113709    52  LYS   A CA   
2441 C C    . LYS   B 40  ? 0.258833 0.2012   0.437132  -0.00593601 -0.0884356  0.0968323   52  LYS   A C    
2442 O O    . LYS   B 40  ? 0.253136 0.29211  0.485601  -0.0196336  -0.0806919  0.0858825   52  LYS   A O    
2443 C CB   . LYS   B 40  ? 0.313649 0.250892 0.545528  0.0262903   -0.0334331  0.139575    52  LYS   A CB   
2444 C CG   . LYS   B 40  ? 0.34743  0.316599 0.602195  0.0172996   -0.0203571  0.19721     52  LYS   A CG   
2445 C CD   . LYS   B 40  ? 0.44159  0.389463 0.670785  -0.00301969 0.0158026   0.226318    52  LYS   A CD   
2446 C CE   . LYS   B 40  ? 0.453208 0.417037 0.682865  -0.0264943  0.0327144   0.261898    52  LYS   A CE   
2447 N NZ   . LYS   B 40  ? 0.585293 0.504458 0.730221  -0.0470537  0.0565754   0.274744    52  LYS   A NZ   
2448 H H    . LYS   B 40  ? 0.242803 0.23653  0.490058  0.0329578   -0.0543088  0.0934929   52  LYS   A H    
2449 H HA   . LYS   B 40  ? 0.256362 0.231207 0.492823  0.0218658   -0.0604151  0.109024    52  LYS   A HA   
2450 H HB2  . LYS   B 40  ? 0.301016 0.260485 0.540609  0.0254564   -0.0342434  0.141494    52  LYS   A HB2  
2451 H HB3  . LYS   B 40  ? 0.301801 0.261169 0.541255  0.0251005   -0.034836   0.142246    52  LYS   A HB3  
2452 H HG2  . LYS   B 40  ? 0.356952 0.314985 0.592685  0.0144753   -0.0162971  0.184945    52  LYS   A HG2  
2453 H HG3  . LYS   B 40  ? 0.356839 0.313908 0.591582  0.0158003   -0.0149175  0.182662    52  LYS   A HG3  
2454 H HD2  . LYS   B 40  ? 0.422701 0.379307 0.652272  -0.00180319 0.011954    0.222912    52  LYS   A HD2  
2455 H HD3  . LYS   B 40  ? 0.430539 0.377678 0.652131  5.089e-05   0.0164988   0.222033    52  LYS   A HD3  
2456 H HE2  . LYS   B 40  ? 0.473261 0.427816 0.679816  -0.0237295  0.0315567   0.24604     52  LYS   A HE2  
2457 H HE3  . LYS   B 40  ? 0.467258 0.426847 0.678083  -0.0233599  0.0293651   0.245044    52  LYS   A HE3  
2458 H HZ1  . LYS   B 40  ? 0.561382 0.480676 0.713388  -0.0372584  0.0567208   0.263426    52  LYS   A HZ1  
2459 H HZ2  . LYS   B 40  ? 0.545256 0.482528 0.7154    -0.0397509  0.0503956   0.265163    52  LYS   A HZ2  
2460 H HZ3  . LYS   B 40  ? 0.548457 0.496429 0.711692  -0.0465885  0.0518913   0.259965    52  LYS   A HZ3  
2461 N N    . VAL   B 41  ? 0.278606 0.214935 0.436396  0.0209786   -0.064876   0.0791405   53  VAL   A N    
2462 C CA   . VAL   B 41  ? 0.269681 0.211586 0.389533  0.0253732   -0.0933897  0.052921    53  VAL   A CA   
2463 C C    . VAL   B 41  ? 0.290455 0.184815 0.403055  0.0204253   -0.0445732  0.0699868   53  VAL   A C    
2464 O O    . VAL   B 41  ? 0.28274  0.238829 0.404841  0.0454132   -0.041584   0.0753875   53  VAL   A O    
2465 C CB   . VAL   B 41  ? 0.334818 0.19823  0.41996   0.038073    -0.051223   0.051846    53  VAL   A CB   
2466 C CG1  . VAL   B 41  ? 0.352552 0.205084 0.438026  -0.013431   -0.0435119  0.0313273   53  VAL   A CG1  
2467 C CG2  . VAL   B 41  ? 0.26863  0.20148  0.447735  0.0220327   -0.0425435  0.0588184   53  VAL   A CG2  
2468 H H    . VAL   B 41  ? 0.274869 0.215874 0.428876  0.0177571   -0.070463   0.0791319   53  VAL   A H    
2469 H HA   . VAL   B 41  ? 0.278252 0.207582 0.389957  0.0218861   -0.07833    0.0553865   53  VAL   A HA   
2470 H HB   . VAL   B 41  ? 0.314215 0.207939 0.423198  0.0247878   -0.0514965  0.050845    53  VAL   A HB   
2471 H HG11 . VAL   B 41  ? 0.346099 0.209589 0.429153  0.00215146  -0.0449103  0.0348403   53  VAL   A HG11 
2472 H HG12 . VAL   B 41  ? 0.350744 0.215219 0.430938  -0.00245982 -0.0406332  0.0330374   53  VAL   A HG12 
2473 H HG13 . VAL   B 41  ? 0.344616 0.207191 0.427568  -0.00057102 -0.0417929  0.0371626   53  VAL   A HG13 
2474 H HG21 . VAL   B 41  ? 0.286119 0.201241 0.435049  0.0228128   -0.0406495  0.0580055   53  VAL   A HG21 
2475 H HG22 . VAL   B 41  ? 0.287993 0.204198 0.435696  0.0259963   -0.0419562  0.056595    53  VAL   A HG22 
2476 H HG23 . VAL   B 41  ? 0.28782  0.204159 0.435015  0.0257008   -0.0425435  0.0562998   53  VAL   A HG23 
2477 N N    . TYR   B 42  ? 0.276367 0.208123 0.407279  0.0347051   -0.0954828  0.0452994   54  TYR   A N    
2478 C CA   . TYR   B 42  ? 0.326945 0.143064 0.431353  0.0202403   -0.0896494  0.0386973   54  TYR   A CA   
2479 C C    . TYR   B 42  ? 0.320545 0.147915 0.438642  0.0518636   -0.135809   0.0241778   54  TYR   A C    
2480 O O    . TYR   B 42  ? 0.342008 0.166188 0.452748  0.0434084   -0.156532   0.00658111  54  TYR   A O    
2481 C CB   . TYR   B 42  ? 0.346279 0.20648  0.512156  -3.101e-05  -0.0738833  0.0744781   54  TYR   A CB   
2482 C CG   . TYR   B 42  ? 0.321384 0.2753   0.540115  -0.0325534  -0.0784348  0.110886    54  TYR   A CG   
2483 C CD1  . TYR   B 42  ? 0.311042 0.290652 0.561735  -0.0310558  -0.0764838  0.0863914   54  TYR   A CD1  
2484 C CD2  . TYR   B 42  ? 0.338661 0.352368 0.554906  -0.0113582  -0.0769151  0.150928    54  TYR   A CD2  
2485 C CE1  . TYR   B 42  ? 0.286986 0.406148 0.572389  -0.0447208  -0.0663032  0.166877    54  TYR   A CE1  
2486 C CE2  . TYR   B 42  ? 0.403537 0.405231 0.594637  -0.0610115  -0.0850004  0.16012     54  TYR   A CE2  
2487 C CZ   . TYR   B 42  ? 0.347244 0.387003 0.610954  -0.0537403  -0.0425791  0.185062    54  TYR   A CZ   
2488 O OH   . TYR   B 42  ? 0.412812 0.509545 0.660026  -0.0788197  -0.0267564  0.137442    54  TYR   A OH   
2489 H H    . TYR   B 42  ? 0.290088 0.192425 0.400215  0.0284216   -0.0825808  0.0501537   54  TYR   A H    
2490 H HA   . TYR   B 42  ? 0.318582 0.171423 0.434148  0.0267164   -0.0929048  0.0429638   54  TYR   A HA   
2491 H HB2  . TYR   B 42  ? 0.338595 0.207054 0.497799  0.000213    -0.0734485  0.0713565   54  TYR   A HB2  
2492 H HB3  . TYR   B 42  ? 0.338504 0.210584 0.492777  -0.00085765 -0.0750168  0.0718275   54  TYR   A HB3  
2493 H HD1  . TYR   B 42  ? 0.31307  0.317809 0.559429  -0.0313612  -0.0719384  0.102091    54  TYR   A HD1  
2494 H HD2  . TYR   B 42  ? 0.342776 0.337312 0.554575  -0.0198839  -0.0771018  0.139187    54  TYR   A HD2  
2495 H HE1  . TYR   B 42  ? 0.312012 0.372077 0.573255  -0.0407666  -0.0611259  0.14654     54  TYR   A HE1  
2496 H HE2  . TYR   B 42  ? 0.376091 0.392774 0.588921  -0.0443302  -0.0706567  0.152791    54  TYR   A HE2  
2497 H HH   . TYR   B 42  ? 0.525477 0.525477 0.525477  0           0           0           54  TYR   A HH   
2498 N N    . VAL   B 43  ? 0.320366 0.15482  0.434802  0.0503858   -0.122808   0.02001     55  VAL   A N    
2499 C CA   . VAL   B 43  ? 0.329485 0.143401 0.399165  0.0461038   -0.132752   -0.00893312 55  VAL   A CA   
2500 C C    . VAL   B 43  ? 0.313852 0.154768 0.393185  0.0490733   -0.149591   -0.011373   55  VAL   A C    
2501 O O    . VAL   B 43  ? 0.373559 0.189742 0.400483  0.0806273   -0.154781   0.00204556  55  VAL   A O    
2502 C CB   . VAL   B 43  ? 0.32111  0.16641  0.377842  0.0514119   -0.102939   -0.0164354  55  VAL   A CB   
2503 C CG1  . VAL   B 43  ? 0.303017 0.169834 0.347526  0.058578    -0.0854907  -0.00234832 55  VAL   A CG1  
2504 C CG2  . VAL   B 43  ? 0.338649 0.167293 0.349525  0.0537683   -0.108083   0.0106872   55  VAL   A CG2  
2505 H H    . VAL   B 43  ? 0.323328 0.15613  0.427248  0.0493655   -0.122352   0.015284    55  VAL   A H    
2506 H HA   . VAL   B 43  ? 0.323198 0.157627 0.394762  0.0484732   -0.125374   -0.0056003  55  VAL   A HA   
2507 H HB   . VAL   B 43  ? 0.321885 0.167223 0.368812  0.052036    -0.101508   -0.00671002 55  VAL   A HB   
2508 H HG11 . VAL   B 43  ? 0.305679 0.172526 0.352684  0.0557461   -0.084568   -0.00562114 55  VAL   A HG11 
2509 H HG12 . VAL   B 43  ? 0.307035 0.172701 0.352567  0.0555135   -0.0872511  -0.00604391 55  VAL   A HG12 
2510 H HG13 . VAL   B 43  ? 0.307075 0.172289 0.353678  0.0550821   -0.0865192  -0.00538304 55  VAL   A HG13 
2511 H HG21 . VAL   B 43  ? 0.330384 0.171445 0.354631  0.052274    -0.100774   0.00308455  55  VAL   A HG21 
2512 H HG22 . VAL   B 43  ? 0.330383 0.170283 0.356095  0.0536072   -0.102542   0.00391344  55  VAL   A HG22 
2513 H HG23 . VAL   B 43  ? 0.331748 0.17125  0.356188  0.0525914   -0.101987   0.00351087  55  VAL   A HG23 
2514 N N    . HIS   B 44  ? 0.334506 0.207024 0.415764  0.0713071   -0.158131   -0.0498061  56  HIS   A N    
2515 C CA   . HIS   B 44  ? 0.353986 0.19625  0.367095  0.111929    -0.149559   -0.0676459  56  HIS   A CA   
2516 C C    . HIS   B 44  ? 0.325799 0.1748   0.335429  0.125024    -0.11005    -0.080686   56  HIS   A C    
2517 O O    . HIS   B 44  ? 0.336179 0.261544 0.341275  0.126521    -0.14181    -0.0476082  56  HIS   A O    
2518 C CB   . HIS   B 44  ? 0.419246 0.187807 0.431214  0.0938885   -0.171861   -0.0503727  56  HIS   A CB   
2519 C CG   . HIS   B 44  ? 0.493879 0.18151  0.490444  0.0869825   -0.192992   -0.0122052  56  HIS   A CG   
2520 N ND1  . HIS   B 44  ? 0.508048 0.238158 0.487271  0.0893975   -0.177253   0.0179536   56  HIS   A ND1  
2521 C CD2  . HIS   B 44  ? 0.490729 0.235332 0.542879  0.0764673   -0.185973   0.0472274   56  HIS   A CD2  
2522 C CE1  . HIS   B 44  ? 0.515156 0.227269 0.554451  0.0805082   -0.157575   0.0474916   56  HIS   A CE1  
2523 N NE2  . HIS   B 44  ? 0.56257  0.23471  0.574476  0.0334989   -0.192872   0.0708279   56  HIS   A NE2  
2524 H H    . HIS   B 44  ? 0.334281 0.194294 0.403658  0.0729958   -0.146313   -0.0418677  56  HIS   A H    
2525 H HA   . HIS   B 44  ? 0.354254 0.196351 0.372895  0.101268    -0.14227    -0.0594637  56  HIS   A HA   
2526 H HB2  . HIS   B 44  ? 0.415116 0.193993 0.423873  0.0950878   -0.163759   -0.0446273  56  HIS   A HB2  
2527 H HB3  . HIS   B 44  ? 0.416603 0.195194 0.424594  0.0952008   -0.164515   -0.0449427  56  HIS   A HB3  
2528 H HD1  . HIS   B 44  ? 0.41491  0.41491  0.41491   0           0           0           56  HIS   A HD1  
2529 H HD2  . HIS   B 44  ? 0.504743 0.226926 0.533545  0.0701025   -0.18046    0.0370863   56  HIS   A HD2  
2530 H HE1  . HIS   B 44  ? 0.521906 0.238615 0.544486  0.0707927   -0.162606   0.0429316   56  HIS   A HE1  
2531 H HE2  . HIS   B 44  ? 0.450119 0.450119 0.450119  0           0           0           56  HIS   A HE2  
2532 N N    . TYR   B 45  ? 0.336868 0.211289 0.333889  0.11694     -0.110354   -0.0371268  57  TYR   A N    
2533 C CA   . TYR   B 45  ? 0.314945 0.230669 0.2904    0.130313    -0.0873515  -0.0319882  57  TYR   A CA   
2534 C C    . TYR   B 45  ? 0.296338 0.210211 0.284138  0.123263    -0.0844723  -0.0572766  57  TYR   A C    
2535 O O    . TYR   B 45  ? 0.291847 0.245694 0.324488  0.115032    -0.0926539  -0.039147   57  TYR   A O    
2536 C CB   . TYR   B 45  ? 0.317017 0.216621 0.209113  0.127677    -0.0270186  -0.0113119  57  TYR   A CB   
2537 C CG   . TYR   B 45  ? 0.285489 0.181936 0.2294    0.0967297   -0.0176124  -0.00756115 57  TYR   A CG   
2538 C CD1  . TYR   B 45  ? 0.293111 0.190083 0.286852  0.0695202   -0.00618    0.0182117   57  TYR   A CD1  
2539 C CD2  . TYR   B 45  ? 0.252329 0.179584 0.245603  0.0783015   0.00455159  0.00645448  57  TYR   A CD2  
2540 C CE1  . TYR   B 45  ? 0.280629 0.201242 0.250446  0.0471074   -0.00019317 0.016694    57  TYR   A CE1  
2541 C CE2  . TYR   B 45  ? 0.268937 0.200312 0.245353  0.0711401   -0.023505   0.0155376   57  TYR   A CE2  
2542 C CZ   . TYR   B 45  ? 0.300105 0.185089 0.233426  0.0704844   -0.00712316 0.0205063   57  TYR   A CZ   
2543 O OH   . TYR   B 45  ? 0.331026 0.238079 0.22342   0.0448305   -0.0326108  0.0257941   57  TYR   A OH   
2544 H H    . TYR   B 45  ? 0.328591 0.208569 0.323647  0.118857    -0.102068   -0.0444939  57  TYR   A H    
2545 H HA   . TYR   B 45  ? 0.314527 0.223393 0.286137  0.122847    -0.0767195  -0.0336948  57  TYR   A HA   
2546 H HB2  . TYR   B 45  ? 0.307106 0.211655 0.231758  0.116513    -0.0351977  -0.0137708  57  TYR   A HB2  
2547 H HB3  . TYR   B 45  ? 0.309885 0.21213  0.232382  0.115918    -0.0351847  -0.0143884  57  TYR   A HB3  
2548 H HD1  . TYR   B 45  ? 0.290348 0.193134 0.262506  0.0701215   -0.00622738 0.0115587   57  TYR   A HD1  
2549 H HD2  . TYR   B 45  ? 0.258991 0.186786 0.2374    0.0778152   -0.00235814 0.0062565   57  TYR   A HD2  
2550 H HE1  . TYR   B 45  ? 0.283733 0.196806 0.251229  0.0559285   -0.00059772 0.0182157   57  TYR   A HE1  
2551 H HE2  . TYR   B 45  ? 0.267767 0.193552 0.242247  0.0696667   -0.0137743  0.0137786   57  TYR   A HE2  
2552 H HH   . TYR   B 45  ? 0.265841 0.265841 0.265841  0           0           0           57  TYR   A HH   
2553 N N    . LYS   B 46  ? 0.301048 0.256432 0.263503  0.124807    -0.0635014  -0.0824911  58  LYS   A N    
2554 C CA   . LYS   B 46  ? 0.334589 0.255485 0.267287  0.147147    -0.0835714  -0.063085   58  LYS   A CA   
2555 C C    . LYS   B 46  ? 0.289949 0.305795 0.225433  0.122583    -0.035849   -0.0366315  58  LYS   A C    
2556 O O    . LYS   B 46  ? 0.310529 0.355648 0.21239   0.10614     -0.0731342  -0.0102013  58  LYS   A O    
2557 C CB   . LYS   B 46  ? 0.337988 0.279189 0.340153  0.149456    -0.0518867  -0.0663435  58  LYS   A CB   
2558 C CG   . LYS   B 46  ? 0.369934 0.233043 0.298089  0.137759    -0.0652562  -0.0441192  58  LYS   A CG   
2559 C CD   . LYS   B 46  ? 0.387605 0.261388 0.350082  0.108685    -0.040856   -0.0691829  58  LYS   A CD   
2560 C CE   . LYS   B 46  ? 0.380458 0.262672 0.351095  0.111162    -0.0642041  -0.0609076  58  LYS   A CE   
2561 N NZ   . LYS   B 46  ? 0.354164 0.179697 0.288497  0.0896816   -0.0842659  -0.0505628  58  LYS   A NZ   
2562 H H    . LYS   B 46  ? 0.306116 0.246507 0.273912  0.125306    -0.0700942  -0.071178   58  LYS   A H    
2563 H HA   . LYS   B 46  ? 0.318123 0.268143 0.267986  0.13307     -0.0639798  -0.0590032  58  LYS   A HA   
2564 H HB2  . LYS   B 46  ? 0.34451  0.268059 0.318936  0.142266    -0.0616447  -0.0635927  58  LYS   A HB2  
2565 H HB3  . LYS   B 46  ? 0.347584 0.264558 0.313284  0.141108    -0.0586128  -0.0595543  58  LYS   A HB3  
2566 H HG2  . LYS   B 46  ? 0.362629 0.250446 0.311937  0.129205    -0.0538192  -0.0496865  58  LYS   A HG2  
2567 H HG3  . LYS   B 46  ? 0.357416 0.250821 0.312974  0.131466    -0.0593367  -0.0513983  58  LYS   A HG3  
2568 H HD2  . LYS   B 46  ? 0.382322 0.257798 0.340554  0.112979    -0.0499896  -0.0603884  58  LYS   A HD2  
2569 H HD3  . LYS   B 46  ? 0.38817  0.25776  0.343376  0.110661    -0.0445589  -0.0609958  58  LYS   A HD3  
2570 H HE2  . LYS   B 46  ? 0.375335 0.241399 0.337282  0.10343     -0.0643253  -0.0602098  58  LYS   A HE2  
2571 H HE3  . LYS   B 46  ? 0.376289 0.240635 0.336557  0.101452    -0.0593078  -0.059179   58  LYS   A HE3  
2572 H HZ1  . LYS   B 46  ? 0.351981 0.200021 0.296195  0.0933141   -0.080418   -0.0497705  58  LYS   A HZ1  
2573 H HZ2  . LYS   B 46  ? 0.354871 0.199677 0.298383  0.0911312   -0.0750471  -0.050056   58  LYS   A HZ2  
2574 H HZ3  . LYS   B 46  ? 0.35319  0.193072 0.299638  0.0876017   -0.0782384  -0.0536771  58  LYS   A HZ3  
2575 N N    . GLY   B 47  ? 0.292719 0.259789 0.210716  0.102862    -0.0557371  -0.0370439  59  GLY   A N    
2576 C CA   . GLY   B 47  ? 0.278939 0.291893 0.2151    0.0839413   -0.0214579  0.0287243   59  GLY   A CA   
2577 C C    . GLY   B 47  ? 0.28913  0.281861 0.194804  0.0724306   -0.0403834  0.00560192  59  GLY   A C    
2578 O O    . GLY   B 47  ? 0.293288 0.295685 0.218955  0.0857167   -0.0185175  0.0577559   59  GLY   A O    
2579 H H    . GLY   B 47  ? 0.288897 0.276068 0.217373  0.100404    -0.0424841  -0.0221513  59  GLY   A H    
2580 H HA2  . GLY   B 47  ? 0.284935 0.280225 0.205945  0.0838063   -0.0339478  0.0101832   59  GLY   A HA2  
2581 H HA3  . GLY   B 47  ? 0.286343 0.2831   0.213397  0.0813451   -0.0356786  0.0108984   59  GLY   A HA3  
2582 N N    . LYS   B 48  ? 0.276155 0.275756 0.174019  0.0981727   -0.0337898  -0.00155618 60  LYS   A N    
2583 C CA   . LYS   B 48  ? 0.260432 0.273599 0.160328  0.0691188   -0.0298609  -0.0108478  60  LYS   A CA   
2584 C C    . LYS   B 48  ? 0.271166 0.279232 0.188355  0.0786435   -0.0152762  -0.0178985  60  LYS   A C    
2585 O O    . LYS   B 48  ? 0.296526 0.286352 0.181624  0.09887     -0.0199281  -0.00583336 60  LYS   A O    
2586 C CB   . LYS   B 48  ? 0.26161  0.278791 0.223306  0.0977659   -0.0312818  -0.00187406 60  LYS   A CB   
2587 C CG   . LYS   B 48  ? 0.319301 0.288544 0.213575  0.0724175   -0.00981612 -0.0465351  60  LYS   A CG   
2588 C CD   . LYS   B 48  ? 0.41721  0.313423 0.27205   0.0917609   0.0325986   -0.0614335  60  LYS   A CD   
2589 C CE   . LYS   B 48  ? 0.504432 0.397028 0.339651  0.0996589   0.00767522  -0.054665   60  LYS   A CE   
2590 N NZ   . LYS   B 48  ? 0.516794 0.463284 0.430287  0.0973277   0.0241755   -0.092592   60  LYS   A NZ   
2591 H H    . LYS   B 48  ? 0.273714 0.272537 0.175881  0.0847021   -0.034236   0.00098994  60  LYS   A H    
2592 H HA   . LYS   B 48  ? 0.265671 0.274735 0.171093  0.0794583   -0.0279833  -0.00439821 60  LYS   A HA   
2593 H HB2  . LYS   B 48  ? 0.266994 0.279208 0.204798  0.0829179   -0.0278047  -0.0131744  60  LYS   A HB2  
2594 H HB3  . LYS   B 48  ? 0.2722   0.280659 0.205537  0.0833328   -0.0260225  -0.0132744  60  LYS   A HB3  
2595 H HG2  . LYS   B 48  ? 0.315821 0.289239 0.226429  0.0796511   -0.00814871 -0.0371133  60  LYS   A HG2  
2596 H HG3  . LYS   B 48  ? 0.317967 0.287341 0.22669   0.0792935   -0.00707854 -0.0367623  60  LYS   A HG3  
2597 H HD2  . LYS   B 48  ? 0.409124 0.320707 0.26961   0.0868039   0.0202614   -0.0541189  60  LYS   A HD2  
2598 H HD3  . LYS   B 48  ? 0.400618 0.318967 0.267143  0.085571    0.0168857   -0.0542152  60  LYS   A HD3  
2599 H HE2  . LYS   B 48  ? 0.482991 0.38614  0.339227  0.096269    0.0203049   -0.0613755  60  LYS   A HE2  
2600 H HE3  . LYS   B 48  ? 0.478769 0.390252 0.337848  0.095102    0.0180298   -0.062908   60  LYS   A HE3  
2601 H HZ1  . LYS   B 48  ? 0.511256 0.454005 0.404218  0.096475    0.0185068   -0.0802732  60  LYS   A HZ1  
2602 H HZ2  . LYS   B 48  ? 0.513628 0.442368 0.40363   0.0970899   0.0202931   -0.0775148  60  LYS   A HZ2  
2603 H HZ3  . LYS   B 48  ? 0.511883 0.444113 0.419954  0.0958886   0.0180739   -0.0810474  60  LYS   A HZ3  
2604 N N    . LEU   B 49  ? 0.271493 0.297188 0.195247  0.0677683   -0.0327116  -0.00475001 61  LEU   A N    
2605 C CA   . LEU   B 49  ? 0.300902 0.306699 0.22241   0.0701482   -0.00425593 0.0129082   61  LEU   A CA   
2606 C C    . LEU   B 49  ? 0.362757 0.34331  0.318683  0.0965705   0.0735573   -0.0303291  61  LEU   A C    
2607 O O    . LEU   B 49  ? 0.428089 0.322611 0.328957  0.113575    0.114805    0.0183257   61  LEU   A O    
2608 C CB   . LEU   B 49  ? 0.339762 0.31684  0.279113  0.0625081   -0.0163226  -0.0289064  61  LEU   A CB   
2609 C CG   . LEU   B 49  ? 0.412322 0.367035 0.239841  0.0725043   -0.0480509  -0.0188372  61  LEU   A CG   
2610 C CD1  . LEU   B 49  ? 0.460968 0.395537 0.343949  0.0343287   -0.0783736  -0.0184088  61  LEU   A CD1  
2611 C CD2  . LEU   B 49  ? 0.433292 0.403499 0.204531  0.0726658   0.0219288   -0.046165   61  LEU   A CD2  
2612 H H    . LEU   B 49  ? 0.277742 0.29266  0.199161  0.0695499   -0.0224652  -0.00300086 61  LEU   A H    
2613 H HA   . LEU   B 49  ? 0.307348 0.308537 0.237963  0.0721107   9.963e-05   -0.00483176 61  LEU   A HA   
2614 H HB2  . LEU   B 49  ? 0.342435 0.322483 0.258315  0.064978    -0.0191122  -0.0154658  61  LEU   A HB2  
2615 H HB3  . LEU   B 49  ? 0.342587 0.321905 0.258268  0.0632712   -0.0189433  -0.0151279  61  LEU   A HB3  
2616 H HG   . LEU   B 49  ? 0.405034 0.36829  0.259979  0.0644273   -0.0325782  -0.0250276  61  LEU   A HG   
2617 H HD11 . LEU   B 49  ? 0.449212 0.395527 0.31575   0.0387389   -0.0683984  -0.0172271  61  LEU   A HD11 
2618 H HD12 . LEU   B 49  ? 0.448847 0.388779 0.328728  0.0434389   -0.0745169  -0.0168309  61  LEU   A HD12 
2619 H HD13 . LEU   B 49  ? 0.445793 0.389081 0.31574   0.0439578   -0.0682321  -0.0175779  61  LEU   A HD13 
2620 H HD21 . LEU   B 49  ? 0.427494 0.390644 0.220829  0.0725527   0.00785179  -0.0350427  61  LEU   A HD21 
2621 H HD22 . LEU   B 49  ? 0.425463 0.393155 0.217725  0.0724487   0.00407941  -0.0369099  61  LEU   A HD22 
2622 H HD23 . LEU   B 49  ? 0.422716 0.391357 0.205063  0.0720841   0.00984165  -0.0377197  61  LEU   A HD23 
2623 N N    . SER   B 50  ? 0.40634  0.374158 0.364081  0.126078    0.147521    0.0113026   62  SER   A N    
2624 C CA   . SER   B 50  ? 0.516624 0.429841 0.4093    0.141623    0.20115     0.0120522   62  SER   A CA   
2625 C C    . SER   B 50  ? 0.48828  0.47238  0.45192   0.120045    0.259392    0.123785    62  SER   A C    
2626 O O    . SER   B 50  ? 0.693793 0.65289  0.647772  0.16681     0.352618    0.0733245   62  SER   A O    
2627 C CB   . SER   B 50  ? 0.565913 0.421364 0.405926  0.110546    0.208598    -0.0221638  62  SER   A CB   
2628 O OG   . SER   B 50  ? 0.599191 0.452469 0.612192  0.0403929   0.186861    -0.00955011 62  SER   A OG   
2629 H H    . SER   B 50  ? 0.405793 0.372418 0.353391  0.115818    0.131287    0.00066996  62  SER   A H    
2630 H HA   . SER   B 50  ? 0.492704 0.421604 0.404908  0.126495    0.195882    0.0255468   62  SER   A HA   
2631 H HB2  . SER   B 50  ? 0.553369 0.430387 0.419386  0.101282    0.207252    -0.0126054  62  SER   A HB2  
2632 H HB3  . SER   B 50  ? 0.556542 0.430461 0.442398  0.100537    0.198692    -0.0112481  62  SER   A HB3  
2633 H HG   . SER   B 50  ? 0.543461 0.543461 0.543461  0           0           0           62  SER   A HG   
2634 N N    . ASN   B 51  ? 0.458748 0.551779 0.701794  0.15154     0.191745    0.104181    63  ASN   A N    
2635 C CA   . ASN   B 51  ? 0.537897 0.559943 0.842394  0.218614    0.122887    0.122526    63  ASN   A CA   
2636 C C    . ASN   B 51  ? 0.602312 0.603153 0.959227  0.217965    0.149139    0.162498    63  ASN   A C    
2637 O O    . ASN   B 51  ? 0.586343 0.674503 1.08892   0.231529    0.164037    0.187511    63  ASN   A O    
2638 C CB   . ASN   B 51  ? 0.525286 0.552828 0.658693  0.257281    0.11123     0.106151    63  ASN   A CB   
2639 H H    . ASN   B 51  ? 0.487229 0.530924 0.647438  0.145586    0.182457    0.115325    63  ASN   A H    
2640 H HA   . ASN   B 51  ? 0.542953 0.566483 0.799697  0.210062    0.121473    0.115112    63  ASN   A HA   
2641 H HB2  . ASN   B 51  ? 0.577277 0.577277 0.577277  0           0           0           63  ASN   A HB2  
2642 H HB3  . ASN   B 51  ? 0.577277 0.577277 0.577277  0           0           0           63  ASN   A HB3  
2643 N N    . GLY   B 52  ? 0.560363 0.599811 0.94772   0.27961     0.180803    0.202114    64  GLY   A N    
2644 C CA   . GLY   B 52  ? 0.661097 0.569815 0.820883  0.264754    0.135427    0.162228    64  GLY   A CA   
2645 C C    . GLY   B 52  ? 0.647025 0.57357  0.754952  0.242363    0.177014    0.107422    64  GLY   A C    
2646 O O    . GLY   B 52  ? 0.712909 0.562781 0.668807  0.257394    0.183648    0.168931    64  GLY   A O    
2647 H H    . GLY   B 52  ? 0.572588 0.578247 0.897297  0.264976    0.161961    0.173225    64  GLY   A H    
2648 H HA2  . GLY   B 52  ? 0.646033 0.581413 0.829181  0.256643    0.152291    0.155492    64  GLY   A HA2  
2649 H HA3  . GLY   B 52  ? 0.641833 0.583504 0.833388  0.2527      0.148535    0.157569    64  GLY   A HA3  
2650 N N    . LYS   B 53  ? 0.563446 0.638899 0.714907  0.158963    0.0805216   0.0865526   65  LYS   A N    
2651 C CA   . LYS   B 53  ? 0.485034 0.613343 0.634393  0.0991681   0.0429595   0.0441288   65  LYS   A CA   
2652 C C    . LYS   B 53  ? 0.377435 0.569686 0.435392  0.116259    -0.0591152  0.0552754   65  LYS   A C    
2653 O O    . LYS   B 53  ? 0.39146  0.606494 0.405758  0.0285099   -0.0983515  0.0687086   65  LYS   A O    
2654 C CB   . LYS   B 53  ? 0.569456 0.559287 0.755789  0.115843    0.0450555   0.0452256   65  LYS   A CB   
2655 H H    . LYS   B 53  ? 0.560289 0.629575 0.701149  0.157699    0.0920203   0.0768683   65  LYS   A H    
2656 H HA   . LYS   B 53  ? 0.491911 0.60518  0.610993  0.105608    0.0269729   0.0538968   65  LYS   A HA   
2657 H HB2  . LYS   B 53  ? 0.615146 0.615146 0.615146  0           0           0           65  LYS   A HB2  
2658 H HB3  . LYS   B 53  ? 0.615146 0.615146 0.615146  0           0           0           65  LYS   A HB3  
2659 N N    . LYS   B 54  ? 0.334626 0.471427 0.305966  0.0227179   -0.0960707  0.0178737   66  LYS   A N    
2660 C CA   . LYS   B 54  ? 0.347298 0.401664 0.297232  0.0437643   -0.109361   0.0157387   66  LYS   A CA   
2661 C C    . LYS   B 54  ? 0.332211 0.367198 0.253762  0.0456195   -0.0971776  0.0412316   66  LYS   A C    
2662 O O    . LYS   B 54  ? 0.399544 0.395164 0.232804  0.115307    -0.0453025  0.0592625   66  LYS   A O    
2663 C CB   . LYS   B 54  ? 0.359379 0.391279 0.296577  0.00485595  -0.0795751  -0.021225   66  LYS   A CB   
2664 H H    . LYS   B 54  ? 0.345878 0.462854 0.322251  0.047016    -0.0876092  0.0267966   66  LYS   A H    
2665 H HA   . LYS   B 54  ? 0.344438 0.400807 0.291255  0.0340472   -0.0966798  0.0163146   66  LYS   A HA   
2666 H HB2  . LYS   B 54  ? 0.345885 0.345885 0.345885  0           0           0           66  LYS   A HB2  
2667 H HB3  . LYS   B 54  ? 0.345885 0.345885 0.345885  0           0           0           66  LYS   A HB3  
2668 N N    . PHE   B 55  ? 0.324686 0.300302 0.283981  0.0709813   -0.105977   0.0060772   67  PHE   A N    
2669 C CA   . PHE   B 55  ? 0.319936 0.305677 0.234872  0.0854086   -0.0802264  -0.00192078 67  PHE   A CA   
2670 C C    . PHE   B 55  ? 0.361046 0.297696 0.265361  0.0505204   -0.0784117  0.0294389   67  PHE   A C    
2671 O O    . PHE   B 55  ? 0.395454 0.479745 0.27048   0.0458109   -0.0930592  0.122284    67  PHE   A O    
2672 C CB   . PHE   B 55  ? 0.402516 0.251533 0.317032  0.0926874   -0.118613   0.0137681   67  PHE   A CB   
2673 C CG   . PHE   B 55  ? 0.401809 0.293843 0.355273  0.121356    -0.0743646  -0.03746    67  PHE   A CG   
2674 C CD1  . PHE   B 55  ? 0.367484 0.320552 0.38807   0.10774     -0.0642996  -0.0736309  67  PHE   A CD1  
2675 C CD2  . PHE   B 55  ? 0.388687 0.266598 0.34444   0.0848164   -0.074356   -0.0671024  67  PHE   A CD2  
2676 C CE1  . PHE   B 55  ? 0.403832 0.334328 0.415916  0.103664    -0.0736791  -0.0758361  67  PHE   A CE1  
2677 C CE2  . PHE   B 55  ? 0.397522 0.325811 0.428805  0.0959432   -0.111119   -0.0385333  67  PHE   A CE2  
2678 C CZ   . PHE   B 55  ? 0.386891 0.293375 0.407833  0.0979281   -0.0940017  -0.0611467  67  PHE   A CZ   
2679 H H    . PHE   B 55  ? 0.32525  0.318319 0.274252  0.0657167   -0.0938965  0.00860102  67  PHE   A H    
2680 H HA   . PHE   B 55  ? 0.339577 0.294493 0.262844  0.0754768   -0.0877949  0.00865403  67  PHE   A HA   
2681 H HB2  . PHE   B 55  ? 0.387128 0.27504  0.302568  0.0960566   -0.0987475  0.00024442  67  PHE   A HB2  
2682 H HB3  . PHE   B 55  ? 0.380317 0.269275 0.297085  0.0944603   -0.0971035  0.00613134  67  PHE   A HB3  
2683 H HD1  . PHE   B 55  ? 0.383118 0.317819 0.385977  0.106802    -0.0678866  -0.0630841  67  PHE   A HD1  
2684 H HD2  . PHE   B 55  ? 0.38592  0.282121 0.362972  0.0882096   -0.0788905  -0.0515146  67  PHE   A HD2  
2685 H HE1  . PHE   B 55  ? 0.394239 0.324921 0.40562   0.103457    -0.0750842  -0.0693512  67  PHE   A HE1  
2686 H HE2  . PHE   B 55  ? 0.393414 0.305976 0.410024  0.0924784   -0.0971812  -0.0526815  67  PHE   A HE2  
2687 H HZ   . PHE   B 55  ? 0.390539 0.30989  0.406538  0.0953041   -0.091946   -0.0591121  67  PHE   A HZ   
2688 N N    . ASP   B 56  ? 0.328429 0.224652 0.196151  0.0720242   -0.0600942  -0.0036801  68  ASP   A N    
2689 C CA   . ASP   B 56  ? 0.346598 0.19186  0.20748   0.0766827   -0.0714746  0.022039    68  ASP   A CA   
2690 C C    . ASP   B 56  ? 0.32664  0.221809 0.260441  0.0864695   -0.0891991  0.0212732   68  ASP   A C    
2691 O O    . ASP   B 56  ? 0.392399 0.2782   0.270989  0.0458251   -0.150078   0.0332129   68  ASP   A O    
2692 C CB   . ASP   B 56  ? 0.351398 0.220203 0.211332  0.0717514   -0.0559736  0.00972366  68  ASP   A CB   
2693 C CG   . ASP   B 56  ? 0.346958 0.226113 0.233732  0.0520831   -0.0273569  0.00050261  68  ASP   A CG   
2694 O OD1  . ASP   B 56  ? 0.367547 0.252559 0.304079  0.0142525   0.00709272  0.028299    68  ASP   A OD1  
2695 O OD2  . ASP   B 56  ? 0.341858 0.210466 0.245876  0.0347536   -0.018017   0.00385208  68  ASP   A OD2  
2696 H H    . ASP   B 56  ? 0.336311 0.231301 0.208831  0.0674902   -0.0649155  0.0109407   68  ASP   A H    
2697 H HA   . ASP   B 56  ? 0.338203 0.203908 0.209309  0.075798    -0.0687879  0.0227476   68  ASP   A HA   
2698 H HB2  . ASP   B 56  ? 0.345358 0.216859 0.215814  0.0663772   -0.0517985  0.0100457   68  ASP   A HB2  
2699 H HB3  . ASP   B 56  ? 0.346656 0.216843 0.217369  0.0666581   -0.0512048  0.0103303   68  ASP   A HB3  
2700 N N    . SER   B 57  ? 0.383702 0.234107 0.28383   0.0351783   -0.0801286  -0.014952   69  SER   A N    
2701 C CA   . SER   B 57  ? 0.320803 0.308863 0.318551  0.0506564   -0.103435   -0.0444524  69  SER   A CA   
2702 C C    . SER   B 57  ? 0.381284 0.268365 0.344011  0.0706648   -0.0876112  -0.0166129  69  SER   A C    
2703 O O    . SER   B 57  ? 0.377147 0.313965 0.320246  0.0507176   -0.0686103  0.0267989   69  SER   A O    
2704 C CB   . SER   B 57  ? 0.390389 0.463103 0.377685  0.00226542  -0.0303653  -0.135498   69  SER   A CB   
2705 O OG   . SER   B 57  ? 0.506045 0.575207 0.482876  0.026894    -0.079863   -0.125956   69  SER   A OG   
2706 H H    . SER   B 57  ? 0.354182 0.248311 0.285894  0.0510621   -0.0845367  -0.0108901  69  SER   A H    
2707 H HA   . SER   B 57  ? 0.352482 0.301889 0.320387  0.0453887   -0.0840592  -0.0406058  69  SER   A HA   
2708 H HB2  . SER   B 57  ? 0.380865 0.434462 0.376944  0.0167455   -0.0543571  -0.105505   69  SER   A HB2  
2709 H HB3  . SER   B 57  ? 0.388282 0.447511 0.386169  0.0164707   -0.0562076  -0.114488   69  SER   A HB3  
2710 H HG   . SER   B 57  ? 0.522944 0.522944 0.522944  0           0           0           69  SER   A HG   
2711 N N    . SER   B 58  ? 0.356451 0.241067 0.345006  0.0801441   -0.0916169  -0.0140763  70  SER   A N    
2712 C CA   . SER   B 58  ? 0.37224  0.217952 0.403796  0.0772255   -0.100692   0.00456899  70  SER   A CA   
2713 C C    . SER   B 58  ? 0.404185 0.236092 0.452822  0.0740252   -0.149125   0.00188733  70  SER   A C    
2714 O O    . SER   B 58  ? 0.487119 0.248354 0.450868  0.0551901   -0.17257    0.051214    70  SER   A O    
2715 C CB   . SER   B 58  ? 0.363301 0.19768  0.391656  0.0719397   -0.0652803  0.0727934   70  SER   A CB   
2716 O OG   . SER   B 58  ? 0.343059 0.264259 0.399505  0.0878981   -0.146213   -0.0149473  70  SER   A OG   
2717 H H    . SER   B 58  ? 0.364039 0.24471  0.354298  0.0750616   -0.0896476  -0.00850169 70  SER   A H    
2718 H HA   . SER   B 58  ? 0.373265 0.227688 0.396747  0.0742238   -0.0964703  0.0139266   70  SER   A HA   
2719 H HB2  . SER   B 58  ? 0.35026  0.219705 0.393771  0.0691943   -0.0847726  0.0392467   70  SER   A HB2  
2720 H HB3  . SER   B 58  ? 0.357822 0.22144  0.394298  0.0741685   -0.0876712  0.0367338   70  SER   A HB3  
2721 H HG   . SER   B 58  ? 0.339426 0.339426 0.339426  0           0           0           70  SER   A HG   
2722 N N    . HIS   B 59  ? 0.476736 0.223648 0.503787  0.0694264   -0.160099   -0.0276301  71  HIS   A N    
2723 C CA   . HIS   B 59  ? 0.528315 0.270138 0.634595  0.137485    -0.179744   -0.0448631  71  HIS   A CA   
2724 C C    . HIS   B 59  ? 0.57362  0.263536 0.686887  0.13856     -0.180968   0.0704937   71  HIS   A C    
2725 O O    . HIS   B 59  ? 0.665219 0.317123 0.837185  0.0314916   -0.177369   0.0325757   71  HIS   A O    
2726 C CB   . HIS   B 59  ? 0.525804 0.336051 0.681793  0.16726     -0.194141   -0.102208   71  HIS   A CB   
2727 C CG   . HIS   B 59  ? 0.566498 0.464328 0.72962   0.251907    -0.199958   -0.132054   71  HIS   A CG   
2728 N ND1  . HIS   B 59  ? 0.593459 0.6224   0.859144  0.220524    -0.136227   -0.137197   71  HIS   A ND1  
2729 C CD2  . HIS   B 59  ? 0.558051 0.647135 0.748769  0.216515    -0.0581701  -0.0939455  71  HIS   A CD2  
2730 C CE1  . HIS   B 59  ? 0.625209 0.666987 0.813722  0.259951    -0.124202   -0.152491   71  HIS   A CE1  
2731 N NE2  . HIS   B 59  ? 0.593255 0.626785 0.7424    0.248703    -0.124489   -0.255321   71  HIS   A NE2  
2732 H H    . HIS   B 59  ? 0.461394 0.240523 0.505493  0.081554    -0.152203   -0.0196854  71  HIS   A H    
2733 H HA   . HIS   B 59  ? 0.524647 0.276822 0.611669  0.126222    -0.170568   -0.027682   71  HIS   A HA   
2734 H HB2  . HIS   B 59  ? 0.527535 0.347234 0.673043  0.169023    -0.184523   -0.0906244  71  HIS   A HB2  
2735 H HB3  . HIS   B 59  ? 0.533302 0.34177  0.674145  0.173764    -0.184724   -0.0905873  71  HIS   A HB3  
2736 H HD1  . HIS   B 59  ? 0.682398 0.682398 0.682398  0           0           0           71  HIS   A HD1  
2737 H HD2  . HIS   B 59  ? 0.563317 0.589838 0.739654  0.22076     -0.104929   -0.13468    71  HIS   A HD2  
2738 H HE1  . HIS   B 59  ? 0.622432 0.645544 0.803858  0.24206     -0.118231   -0.167662   71  HIS   A HE1  
2739 H HE2  . HIS   B 59  ? 0.661121 0.661121 0.661121  0           0           0           71  HIS   A HE2  
2740 N N    . ASP   B 60  ? 0.650818 0.321904 0.699417  0.123312    -0.271209   0.187781    72  ASP   A N    
2741 C CA   . ASP   B 60  ? 0.656053 0.461964 0.678142  0.0721875   -0.256935   0.213451    72  ASP   A CA   
2742 C C    . ASP   B 60  ? 0.622427 0.348939 0.627271  -0.0129319  -0.232352   0.238271    72  ASP   A C    
2743 O O    . ASP   B 60  ? 0.63235  0.329789 0.711577  0.0437957   -0.204725   0.234983    72  ASP   A O    
2744 C CB   . ASP   B 60  ? 0.712042 0.523435 0.788087  0.0400342   -0.26768    0.159835    72  ASP   A CB   
2745 C CG   . ASP   B 60  ? 0.715589 0.680271 0.890594  0.0821472   -0.209595   0.0759397   72  ASP   A CG   
2746 O OD1  . ASP   B 60  ? 0.746353 0.480515 0.86145   0.106329    -0.390778   0.0402924   72  ASP   A OD1  
2747 O OD2  . ASP   B 60  ? 0.483108 0.738437 0.9509    0.249307    -0.363547   0.124009    72  ASP   A OD2  
2748 H H    . ASP   B 60  ? 0.618713 0.333946 0.676583  0.107896    -0.226653   0.154298    72  ASP   A H    
2749 H HA   . ASP   B 60  ? 0.658309 0.432718 0.689544  0.0549977   -0.248109   0.199259    72  ASP   A HA   
2750 H HB2  . ASP   B 60  ? 0.699097 0.545891 0.769249  0.0476546   -0.24111    0.154374    72  ASP   A HB2  
2751 H HB3  . ASP   B 60  ? 0.698627 0.54257  0.77227   0.0544766   -0.242623   0.15521     72  ASP   A HB3  
2752 N N    . ARG   B 61  ? 0.632336 0.344334 0.523253  -0.0217226  -0.228149   0.152697    73  ARG   A N    
2753 C CA   . ARG   B 61  ? 0.631198 0.284767 0.526569  -0.0177609  -0.182916   0.130726    73  ARG   A CA   
2754 C C    . ARG   B 61  ? 0.589711 0.296276 0.478101  0.0427781   -0.164609   0.134172    73  ARG   A C    
2755 O O    . ARG   B 61  ? 0.614372 0.370151 0.485247  -0.0254638  -0.0998596  0.182359    73  ARG   A O    
2756 C CB   . ARG   B 61  ? 0.653105 0.334612 0.505713  -0.031298   -0.167613   0.15484     73  ARG   A CB   
2757 C CG   . ARG   B 61  ? 0.612877 0.386208 0.51131   -0.028117   -0.196093   0.133028    73  ARG   A CG   
2758 C CD   . ARG   B 61  ? 0.620289 0.350231 0.440145  -0.0149076  -0.163413   0.106459    73  ARG   A CD   
2759 N NE   . ARG   B 61  ? 0.661792 0.313546 0.439629  -0.0597329  -0.0977848  0.132256    73  ARG   A NE   
2760 C CZ   . ARG   B 61  ? 0.63625  0.384399 0.392837  -0.0384189  -0.0752517  0.0791447   73  ARG   A CZ   
2761 N NH1  . ARG   B 61  ? 0.546622 0.411933 0.389536  -0.0723801  -0.0357017  -0.0458105  73  ARG   A NH1  
2762 N NH2  . ARG   B 61  ? 0.714441 0.299254 0.315548  -0.056655   -0.0967357  0.0959884   73  ARG   A NH2  
2763 H H    . ARG   B 61  ? 0.626139 0.338308 0.545653  -0.0144483  -0.207857   0.157036    73  ARG   A H    
2764 H HA   . ARG   B 61  ? 0.625426 0.315636 0.518721  -0.00898461 -0.175911   0.134192    73  ARG   A HA   
2765 H HB2  . ARG   B 61  ? 0.634372 0.337988 0.507411  -0.0242419  -0.171575   0.143149    73  ARG   A HB2  
2766 H HB3  . ARG   B 61  ? 0.6336   0.339688 0.510438  -0.0254446  -0.169638   0.141597    73  ARG   A HB3  
2767 H HG2  . ARG   B 61  ? 0.621554 0.372158 0.496195  -0.0245002  -0.174875   0.125876    73  ARG   A HG2  
2768 H HG3  . ARG   B 61  ? 0.62368  0.371338 0.496744  -0.0235169  -0.178123   0.127782    73  ARG   A HG3  
2769 H HD2  . ARG   B 61  ? 0.622794 0.353716 0.45591   -0.0271559  -0.149137   0.115187    73  ARG   A HD2  
2770 H HD3  . ARG   B 61  ? 0.618027 0.353884 0.453813  -0.0293339  -0.149956   0.112455    73  ARG   A HD3  
2771 H HE   . ARG   B 61  ? 0.649845 0.343185 0.430929  -0.0409392  -0.10041    0.112046    73  ARG   A HE   
2772 H HH11 . ARG   B 61  ? 0.574812 0.419184 0.398582  -0.0672325  -0.042537   -0.0124669  73  ARG   A HH11 
2773 H HH12 . ARG   B 61  ? 0.571907 0.410272 0.393701  -0.060517   -0.0450209  -0.00772027 73  ARG   A HH12 
2774 H HH21 . ARG   B 61  ? 0.690624 0.327831 0.343335  -0.0487882  -0.0836328  0.0905346   73  ARG   A HH21 
2775 H HH22 . ARG   B 61  ? 0.67635  0.324198 0.340761  -0.051497   -0.0802516  0.0900393   73  ARG   A HH22 
2776 N N    . ASN   B 62  ? 0.653338 0.227881 0.528568  0.0403582   -0.105339   0.0748936   74  ASN   A N    
2777 C CA   . ASN   B 62  ? 0.591233 0.233264 0.531839  0.06235     -0.0659072  0.00800003  74  ASN   A CA   
2778 C C    . ASN   B 62  ? 0.591442 0.230271 0.533039  0.0447541   -0.141126   0.019206    74  ASN   A C    
2779 O O    . ASN   B 62  ? 0.570007 0.257528 0.536921  0.016543    -0.12893    0.0460863   74  ASN   A O    
2780 C CB   . ASN   B 62  ? 0.616062 0.270797 0.461334  0.0722575   -0.0366677  0.0180508   74  ASN   A CB   
2781 C CG   . ASN   B 62  ? 0.588318 0.253775 0.360533  0.0243671   -0.0366029  0.0509726   74  ASN   A CG   
2782 O OD1  . ASN   B 62  ? 0.610419 0.365307 0.327007  0.0155275   0.0346604   -0.00788602 74  ASN   A OD1  
2783 N ND2  . ASN   B 62  ? 0.562499 0.271649 0.383718  0.0278907   -0.0422284  0.0157842   74  ASN   A ND2  
2784 H H    . ASN   B 62  ? 0.622628 0.256482 0.519884  0.0467328   -0.110139   0.0746342   74  ASN   A H    
2785 H HA   . ASN   B 62  ? 0.604427 0.246879 0.520869  0.0566838   -0.0779418  0.0244395   74  ASN   A HA   
2786 H HB2  . ASN   B 62  ? 0.602616 0.264383 0.452068  0.0568261   -0.0410857  0.0245671   74  ASN   A HB2  
2787 H HB3  . ASN   B 62  ? 0.600618 0.264702 0.454935  0.0574331   -0.0429836  0.023526    74  ASN   A HB3  
2788 H HD21 . ASN   B 62  ? 0.565292 0.270054 0.377203  0.0256022   -0.0396525  0.0236905   74  ASN   A HD21 
2789 H HD22 . ASN   B 62  ? 0.566738 0.270878 0.384804  0.0273268   -0.0391782  0.0246468   74  ASN   A HD22 
2790 N N    . GLU   B 63  ? 0.539021 0.232133 0.478841  0.0760351   -0.144156   0.0375213   75  GLU   A N    
2791 C CA   . GLU   B 63  ? 0.564792 0.245555 0.458111  0.0419711   -0.110493   0.0773954   75  GLU   A CA   
2792 C C    . GLU   B 63  ? 0.511025 0.210153 0.492223  0.0299877   -0.131666   0.0675334   75  GLU   A C    
2793 O O    . GLU   B 63  ? 0.463813 0.199435 0.504703  0.0379082   -0.0957028  0.0960884   75  GLU   A O    
2794 C CB   . GLU   B 63  ? 0.665668 0.23313  0.4295    0.016163    -0.0478289  0.124858    75  GLU   A CB   
2795 C CG   . GLU   B 63  ? 0.717098 0.329129 0.536165  -0.0435032  -0.0114591  0.157701    75  GLU   A CG   
2796 C CD   . GLU   B 63  ? 0.768528 0.36484  0.609231  -0.0376112  -0.0248487  0.147852    75  GLU   A CD   
2797 O OE1  . GLU   B 63  ? 0.790555 0.406272 0.680547  0.0177089   0.038014    0.142212    75  GLU   A OE1  
2798 O OE2  . GLU   B 63  ? 0.783115 0.532845 0.566868  0.00205431  0.014883    0.185309    75  GLU   A OE2  
2799 H H    . GLU   B 63  ? 0.553479 0.241116 0.486371  0.0604531   -0.130472   0.0428398   75  GLU   A H    
2800 H HA   . GLU   B 63  ? 0.56007  0.242026 0.466968  0.0414587   -0.105921   0.0750996   75  GLU   A HA   
2801 H HB2  . GLU   B 63  ? 0.644569 0.263154 0.457459  0.0143834   -0.0511759  0.118292    75  GLU   A HB2  
2802 H HB3  . GLU   B 63  ? 0.641361 0.262021 0.457053  0.0140119   -0.0527626  0.117398    75  GLU   A HB3  
2803 H HG2  . GLU   B 63  ? 0.717906 0.32305  0.522479  -0.0300575  -0.0204363  0.143557    75  GLU   A HG2  
2804 H HG3  . GLU   B 63  ? 0.711212 0.319176 0.528061  -0.0253556  -0.0226725  0.145365    75  GLU   A HG3  
2805 N N    . PRO   B 64  ? 0.490744 0.18813  0.522963  0.00684353  -0.133825   0.0822791   76  PRO   A N    
2806 C CA   . PRO   B 64  ? 0.472934 0.179687 0.490101  0.0180293   -0.156024   0.0685082   76  PRO   A CA   
2807 C C    . PRO   B 64  ? 0.433845 0.201959 0.421103  0.0701456   -0.112562   0.0610876   76  PRO   A C    
2808 O O    . PRO   B 64  ? 0.450239 0.230967 0.421217  0.0178852   -0.0710437  0.108354    76  PRO   A O    
2809 C CB   . PRO   B 64  ? 0.41706  0.229912 0.550409  0.0228185   -0.132301   0.0810565   76  PRO   A CB   
2810 C CG   . PRO   B 64  ? 0.442047 0.242772 0.572889  0.00905271  -0.111588   0.0916053   76  PRO   A CG   
2811 C CD   . PRO   B 64  ? 0.484335 0.235445 0.533209  0.017626    -0.115617   0.114666    76  PRO   A CD   
2812 H HA   . PRO   B 64  ? 0.461078 0.200464 0.49298   0.0288249   -0.136941   0.0703562   76  PRO   A HA   
2813 H HB2  . PRO   B 64  ? 0.435853 0.226386 0.537051  0.0204496   -0.127237   0.0784933   76  PRO   A HB2  
2814 H HB3  . PRO   B 64  ? 0.436305 0.227615 0.541068  0.0198983   -0.128321   0.077326    76  PRO   A HB3  
2815 H HG2  . PRO   B 64  ? 0.442803 0.244613 0.556114  0.0151171   -0.112306   0.0929666   76  PRO   A HG2  
2816 H HG3  . PRO   B 64  ? 0.444897 0.244956 0.557289  0.0149338   -0.112861   0.0935573   76  PRO   A HG3  
2817 H HD2  . PRO   B 64  ? 0.475688 0.233209 0.53547   0.0140159   -0.113028   0.10025     76  PRO   A HD2  
2818 H HD3  . PRO   B 64  ? 0.477102 0.239701 0.536393  0.0133917   -0.114158   0.101375    76  PRO   A HD3  
2819 N N    . PHE   B 65  ? 0.374452 0.196675 0.389655  0.0643942   -0.101309   0.0303523   77  PHE   A N    
2820 C CA   . PHE   B 65  ? 0.316098 0.2381   0.341157  0.0799025   -0.0980693  0.0298664   77  PHE   A CA   
2821 C C    . PHE   B 65  ? 0.289636 0.205343 0.379103  0.0401871   -0.0933193  0.0828534   77  PHE   A C    
2822 O O    . PHE   B 65  ? 0.319272 0.207912 0.378933  0.0317729   -0.105555   0.0699777   77  PHE   A O    
2823 C CB   . PHE   B 65  ? 0.304359 0.205661 0.331581  0.0706215   -0.0556957  0.0255611   77  PHE   A CB   
2824 C CG   . PHE   B 65  ? 0.298232 0.209749 0.310606  0.0625475   -0.0480076  0.0231945   77  PHE   A CG   
2825 C CD1  . PHE   B 65  ? 0.420689 0.23915  0.325918  0.0268075   -0.0284938  0.0413186   77  PHE   A CD1  
2826 C CD2  . PHE   B 65  ? 0.260627 0.20916  0.315344  0.0267823   -0.0519649  0.0391518   77  PHE   A CD2  
2827 C CE1  . PHE   B 65  ? 0.450983 0.278998 0.276903  0.0289194   -0.0409564  0.00948499  77  PHE   A CE1  
2828 C CE2  . PHE   B 65  ? 0.276162 0.233276 0.310986  -0.00661878 -0.0374152  0.0239941   77  PHE   A CE2  
2829 C CZ   . PHE   B 65  ? 0.315373 0.221027 0.257659  0.0256661   -0.0048895  -0.00565234 77  PHE   A CZ   
2830 H H    . PHE   B 65  ? 0.370784 0.211482 0.383845  0.0674911   -0.0996922  0.0365937   77  PHE   A H    
2831 H HA   . PHE   B 65  ? 0.320159 0.22181  0.350711  0.066141    -0.0860327  0.0400552   77  PHE   A HA   
2832 H HB2  . PHE   B 65  ? 0.303652 0.215418 0.327118  0.0689818   -0.0606172  0.0254846   77  PHE   A HB2  
2833 H HB3  . PHE   B 65  ? 0.304432 0.215714 0.328618  0.0683885   -0.060936   0.0254065   77  PHE   A HB3  
2834 H HD1  . PHE   B 65  ? 0.387737 0.239841 0.310066  0.0359455   -0.0350856  0.0304245   77  PHE   A HD1  
2835 H HD2  . PHE   B 65  ? 0.274224 0.216781 0.311975  0.0272025   -0.0457829  0.0309365   77  PHE   A HD2  
2836 H HE1  . PHE   B 65  ? 0.398537 0.255001 0.278175  0.027051    -0.028473   0.0124257   77  PHE   A HE1  
2837 H HE2  . PHE   B 65  ? 0.283337 0.229974 0.300372  0.00918631  -0.0318729  0.0176298   77  PHE   A HE2  
2838 H HZ   . PHE   B 65  ? 0.326465 0.223546 0.272542  0.0175003   -0.0200294  -0.00040455 77  PHE   A HZ   
2839 N N    . VAL   B 66  ? 0.295301 0.229545 0.385389  0.0580084   -0.0533572  0.0806397   78  VAL   A N    
2840 C CA   . VAL   B 66  ? 0.274926 0.24494  0.380621  0.046751    -0.0217787  0.0848652   78  VAL   A CA   
2841 C C    . VAL   B 66  ? 0.274387 0.261964 0.339325  0.0788395   -0.043173   0.0691778   78  VAL   A C    
2842 O O    . VAL   B 66  ? 0.295809 0.29248  0.323832  0.0477674   -0.0248456  0.0813966   78  VAL   A O    
2843 C CB   . VAL   B 66  ? 0.302104 0.292165 0.441127  0.0101634   -0.0306019  0.0760978   78  VAL   A CB   
2844 C CG1  . VAL   B 66  ? 0.344048 0.343035 0.490818  0.0230962   -0.0147493  0.103263    78  VAL   A CG1  
2845 C CG2  . VAL   B 66  ? 0.350332 0.264116 0.489769  0.0165548   -0.0160839  0.0826518   78  VAL   A CG2  
2846 H H    . VAL   B 66  ? 0.291181 0.229183 0.382402  0.0503335   -0.0533503  0.0792844   78  VAL   A H    
2847 H HA   . VAL   B 66  ? 0.284112 0.253704 0.380836  0.0479977   -0.0327241  0.0773575   78  VAL   A HA   
2848 H HB   . VAL   B 66  ? 0.311243 0.286471 0.437623  0.0215554   -0.0228052  0.0816423   78  VAL   A HB   
2849 H HG11 . VAL   B 66  ? 0.332067 0.329921 0.479082  0.0196287   -0.0177574  0.0919637   78  VAL   A HG11 
2850 H HG12 . VAL   B 66  ? 0.331667 0.337407 0.4747    0.0203583   -0.0187736  0.0963662   78  VAL   A HG12 
2851 H HG13 . VAL   B 66  ? 0.335701 0.332225 0.475589  0.0215628   -0.0201232  0.0926893   78  VAL   A HG13 
2852 H HG21 . VAL   B 66  ? 0.339834 0.27802  0.473956  0.0157854   -0.020145   0.0776591   78  VAL   A HG21 
2853 H HG22 . VAL   B 66  ? 0.341179 0.278142 0.47315   0.0130954   -0.0183609  0.077786    78  VAL   A HG22 
2854 H HG23 . VAL   B 66  ? 0.338039 0.277553 0.478531  0.0146128   -0.0187129  0.0786284   78  VAL   A HG23 
2855 N N    . PHE   B 67  ? 0.263282 0.23578  0.327648  0.0487326   -0.0301904  0.0737688   79  PHE   A N    
2856 C CA   . PHE   B 67  ? 0.250992 0.246404 0.31322   0.0306687   -0.0234933  0.0567719   79  PHE   A CA   
2857 C C    . PHE   B 67  ? 0.219673 0.223384 0.294984  0.0129889   -0.0316714  0.0529006   79  PHE   A C    
2858 O O    . PHE   B 67  ? 0.271685 0.243289 0.334029  0.0327248   -0.076094   0.0517817   79  PHE   A O    
2859 C CB   . PHE   B 67  ? 0.249753 0.236173 0.311447  0.0249745   -0.0248653  0.0362435   79  PHE   A CB   
2860 C CG   . PHE   B 67  ? 0.232681 0.218272 0.298242  0.0269019   -0.0319988  0.0122213   79  PHE   A CG   
2861 C CD1  . PHE   B 67  ? 0.247671 0.215871 0.309775  0.0519445   -0.00517031 0.0336314   79  PHE   A CD1  
2862 C CD2  . PHE   B 67  ? 0.228049 0.222646 0.300324  0.0422181   -0.0136509  0.0208099   79  PHE   A CD2  
2863 C CE1  . PHE   B 67  ? 0.272246 0.216824 0.309678  0.0537463   -0.00342776 -0.00993253 79  PHE   A CE1  
2864 C CE2  . PHE   B 67  ? 0.227522 0.215202 0.291317  0.0426455   -0.0240789  0.0111704   79  PHE   A CE2  
2865 C CZ   . PHE   B 67  ? 0.283669 0.235108 0.268223  0.0340435   0.0129512   0.0291045   79  PHE   A CZ   
2866 H H    . PHE   B 67  ? 0.263144 0.244952 0.326608  0.0498787   -0.0300008  0.0672596   79  PHE   A H    
2867 H HA   . PHE   B 67  ? 0.247195 0.239124 0.310444  0.0291685   -0.0257138  0.0543212   79  PHE   A HA   
2868 H HB2  . PHE   B 67  ? 0.246402 0.236237 0.307774  0.0259852   -0.0250702  0.0347349   79  PHE   A HB2  
2869 H HB3  . PHE   B 67  ? 0.247949 0.236282 0.307739  0.0248676   -0.0245446  0.0337251   79  PHE   A HB3  
2870 H HD1  . PHE   B 67  ? 0.249764 0.212706 0.304604  0.0452694   -0.010698   0.0199089   79  PHE   A HD1  
2871 H HD2  . PHE   B 67  ? 0.230809 0.221728 0.296898  0.0376031   -0.0194095  0.0170936   79  PHE   A HD2  
2872 H HE1  . PHE   B 67  ? 0.267391 0.217232 0.294331  0.0491683   0.00173773  0.00495312  79  PHE   A HE1  
2873 H HE2  . PHE   B 67  ? 0.239846 0.220016 0.287525  0.0397994   -0.0127663  0.0175241   79  PHE   A HE2  
2874 H HZ   . PHE   B 67  ? 0.264651 0.225351 0.270573  0.0387849   0.00280822  0.0194679   79  PHE   A HZ   
2875 N N    . SER   B 68  ? 0.247452 0.247301 0.283049  0.0298992   -0.00517252 0.0625131   80  SER   A N    
2876 C CA   . SER   B 68  ? 0.254675 0.27501  0.305214  0.0317491   -0.00613018 0.0504885   80  SER   A CA   
2877 C C    . SER   B 68  ? 0.216951 0.243543 0.275427  0.0376975   0.00157664  0.0251014   80  SER   A C    
2878 O O    . SER   B 68  ? 0.240347 0.26895  0.235191  0.0158222   -0.00660432 0.0261974   80  SER   A O    
2879 C CB   . SER   B 68  ? 0.265066 0.264719 0.356743  0.0623887   0.0219806   0.0511955   80  SER   A CB   
2880 O OG   . SER   B 68  ? 0.376034 0.346428 0.389978  0.0441876   0.0552793   0.0801569   80  SER   A OG   
2881 H H    . SER   B 68  ? 0.242798 0.248087 0.291388  0.0261213   -0.0106444  0.0561926   80  SER   A H    
2882 H HA   . SER   B 68  ? 0.24754  0.260601 0.301499  0.0366843   -7.98e-05   0.0469386   80  SER   A HA   
2883 H HB2  . SER   B 68  ? 0.279253 0.281193 0.344075  0.0507194   0.0203593   0.0555391   80  SER   A HB2  
2884 H HB3  . SER   B 68  ? 0.274855 0.274042 0.343215  0.0552767   0.017873    0.0583854   80  SER   A HB3  
2885 H HG   . SER   B 68  ? 0.367289 0.367289 0.367289  0           0           0           80  SER   A HG   
2886 N N    . LEU   B 69  ? 0.225085 0.2063   0.271715  0.0240948   -0.0163184  0.0354129   81  LEU   A N    
2887 C CA   . LEU   B 69  ? 0.215666 0.201991 0.23681   0.0343795   -0.012501   0.0120108   81  LEU   A CA   
2888 C C    . LEU   B 69  ? 0.211679 0.21214  0.218516  0.0453762   -0.0280668  0.00566231  81  LEU   A C    
2889 O O    . LEU   B 69  ? 0.237902 0.245875 0.229722  0.0810121   -0.0340131  0.00655559  81  LEU   A O    
2890 C CB   . LEU   B 69  ? 0.243979 0.215422 0.243735  0.0141583   -0.00890587 -0.0203077  81  LEU   A CB   
2891 C CG   . LEU   B 69  ? 0.249312 0.235517 0.240447  0.0295702   -0.0159886  -0.0159934  81  LEU   A CG   
2892 C CD1  . LEU   B 69  ? 0.258595 0.244791 0.236288  0.0504419   -0.0133859  0.00439302  81  LEU   A CD1  
2893 C CD2  . LEU   B 69  ? 0.289933 0.350902 0.284849  -0.00864302 -0.0300429  -0.00728628 81  LEU   A CD2  
2894 H H    . LEU   B 69  ? 0.220729 0.21384  0.262797  0.0279628   -0.0113302  0.0264709   81  LEU   A H    
2895 H HA   . LEU   B 69  ? 0.217851 0.208072 0.239698  0.0316113   -0.0152414  0.00941354  81  LEU   A HA   
2896 H HB2  . LEU   B 69  ? 0.239388 0.215174 0.241268  0.0216239   -0.0109135  -0.011592   81  LEU   A HB2  
2897 H HB3  . LEU   B 69  ? 0.243635 0.218183 0.241635  0.020208    -0.0108558  -0.0112471  81  LEU   A HB3  
2898 H HG   . LEU   B 69  ? 0.254848 0.240766 0.245796  0.0236635   -0.0159497  -0.0133466  81  LEU   A HG   
2899 H HD11 . LEU   B 69  ? 0.255144 0.242217 0.239177  0.042736    -0.0131596  -0.00127331 81  LEU   A HD11 
2900 H HD12 . LEU   B 69  ? 0.255182 0.242416 0.238039  0.0426119   -0.0132913  -0.00123747 81  LEU   A HD12 
2901 H HD13 . LEU   B 69  ? 0.255345 0.245127 0.238492  0.0428871   -0.0135195  -0.00086242 81  LEU   A HD13 
2902 H HD21 . LEU   B 69  ? 0.290228 0.31346  0.271859  0.00019424  -0.0273606  -0.00834089 81  LEU   A HD21 
2903 H HD22 . LEU   B 69  ? 0.280162 0.326921 0.272744  0.00652466  -0.0254053  -0.00562316 81  LEU   A HD22 
2904 H HD23 . LEU   B 69  ? 0.281105 0.314596 0.275344  0.00592917  -0.0277008  -0.0116451  81  LEU   A HD23 
2905 N N    . GLY   B 70  ? 0.216224 0.196445 0.210445  0.0667499   -0.0248968  0.00832503  82  GLY   A N    
2906 C CA   . GLY   B 70  ? 0.25758  0.236759 0.267369  0.0831571   -0.0053722  -0.0116095  82  GLY   A CA   
2907 C C    . GLY   B 70  ? 0.347031 0.255369 0.305689  0.138794    -0.0372402  -0.0419217  82  GLY   A C    
2908 O O    . GLY   B 70  ? 0.554239 0.260703 0.354374  0.165099    -0.0919426  -0.104304   82  GLY   A O    
2909 H H    . GLY   B 70  ? 0.216594 0.206441 0.221802  0.0644864   -0.0205571  0.00343822  82  GLY   A H    
2910 H HA2  . GLY   B 70  ? 0.257015 0.227406 0.254792  0.0842517   -0.0141488  -0.0110565  82  GLY   A HA2  
2911 H HA3  . GLY   B 70  ? 0.264623 0.228501 0.258026  0.0833346   -0.0121393  -0.0127923  82  GLY   A HA3  
2912 N N    . LYS   B 71  ? 0.361379 0.284126 0.26421   0.153472    -0.0807403  -0.0557779  83  LYS   A N    
2913 C CA   . LYS   B 71  ? 0.400953 0.393906 0.298743  0.156729    -0.0298888  -0.0765644  83  LYS   A CA   
2914 C C    . LYS   B 71  ? 0.284511 0.33105  0.246511  0.141072    -0.00765462 -0.0986826  83  LYS   A C    
2915 O O    . LYS   B 71  ? 0.507327 0.46877  0.265241  0.105257    -0.0533114  -0.0614864  83  LYS   A O    
2916 C CB   . LYS   B 71  ? 0.474907 0.431684 0.241651  0.162949    0.0339386   -0.0354078  83  LYS   A CB   
2917 C CG   . LYS   B 71  ? 0.558056 0.507967 0.328442  0.202956    0.0577396   -0.0505186  83  LYS   A CG   
2918 C CD   . LYS   B 71  ? 0.679804 0.467169 0.484591  0.180505    0.0480206   -0.0149175  83  LYS   A CD   
2919 C CE   . LYS   B 71  ? 0.746645 0.447288 0.60888   0.232935    0.0596666   0.0169848   83  LYS   A CE   
2920 N NZ   . LYS   B 71  ? 0.81505  0.394619 0.57035   0.25137     0.0405415   0.0669137   83  LYS   A NZ   
2921 H H    . LYS   B 71  ? 0.358744 0.286615 0.278864  0.145685    -0.0562506  -0.0544144  83  LYS   A H    
2922 H HA   . LYS   B 71  ? 0.378522 0.372557 0.27391   0.140299    -0.0251836  -0.0677257  83  LYS   A HA   
2923 H HB2  . LYS   B 71  ? 0.465632 0.433989 0.272089  0.162409    0.0229257   -0.0483875  83  LYS   A HB2  
2924 H HB3  . LYS   B 71  ? 0.46461  0.430333 0.260595  0.164544    0.023906    -0.0528824  83  LYS   A HB3  
2925 H HG2  . LYS   B 71  ? 0.548946 0.475155 0.330309  0.183429    0.0472909   -0.0412825  83  LYS   A HG2  
2926 H HG3  . LYS   B 71  ? 0.553978 0.480666 0.338422  0.18613     0.0452279   -0.0426686  83  LYS   A HG3  
2927 H HD2  . LYS   B 71  ? 0.652942 0.479219 0.465938  0.192205    0.0517237   -0.0164921  83  LYS   A HD2  
2928 H HD3  . LYS   B 71  ? 0.653227 0.479609 0.471781  0.192628    0.0501117   -0.019793   83  LYS   A HD3  
2929 H HE2  . LYS   B 71  ? 0.723659 0.449134 0.561987  0.216931    0.0500153   0.0228044   83  LYS   A HE2  
2930 H HE3  . LYS   B 71  ? 0.737925 0.447101 0.585036  0.218406    0.0461551   0.022776    83  LYS   A HE3  
2931 H HZ1  . LYS   B 71  ? 0.788868 0.416816 0.580958  0.24058     0.0469687   0.050832    83  LYS   A HZ1  
2932 H HZ2  . LYS   B 71  ? 0.788903 0.411335 0.583396  0.240301    0.0462167   0.0494006   83  LYS   A HZ2  
2933 H HZ3  . LYS   B 71  ? 0.792522 0.417469 0.584012  0.241977    0.0454683   0.050852    83  LYS   A HZ3  
2934 N N    . GLY   B 72  ? 0.342014 0.313172 0.242732  0.111687    -0.0341462  -0.0804972  84  GLY   A N    
2935 C CA   . GLY   B 72  ? 0.340985 0.340583 0.23107   0.0913898   -0.0190309  -0.0877433  84  GLY   A CA   
2936 C C    . GLY   B 72  ? 0.372112 0.296076 0.241813  0.102896    -0.0613972  -0.0870605  84  GLY   A C    
2937 O O    . GLY   B 72  ? 0.472043 0.353261 0.390757  0.0942628   -0.196764   -0.126632   84  GLY   A O    
2938 H H    . GLY   B 72  ? 0.327451 0.322684 0.24365   0.1117      -0.0239751  -0.0839346  84  GLY   A H    
2939 H HA2  . GLY   B 72  ? 0.342208 0.324122 0.233799  0.0957747   -0.0256611  -0.0823548  84  GLY   A HA2  
2940 H HA3  . GLY   B 72  ? 0.346576 0.32699  0.239168  0.0964381   -0.0298115  -0.0806329  84  GLY   A HA3  
2941 N N    . GLN   B 73  ? 0.306458 0.273176 0.194232  0.0917273   -0.0150634  -0.0732113  85  GLN   A N    
2942 C CA   . GLN   B 73  ? 0.25709  0.292804 0.180817  0.0842888   -0.006177   -0.013512   85  GLN   A CA   
2943 C C    . GLN   B 73  ? 0.25591  0.243568 0.158588  0.0502141   0.0225047   0.00437848  85  GLN   A C    
2944 O O    . GLN   B 73  ? 0.236807 0.281769 0.224621  0.0750788   0.0320692   0.0647373   85  GLN   A O    
2945 C CB   . GLN   B 73  ? 0.300243 0.321145 0.212712  0.0711588   0.0411971   0.0297794   85  GLN   A CB   
2946 C CG   . GLN   B 73  ? 0.316998 0.39714  0.242601  0.0814514   0.0498812   0.0331462   85  GLN   A CG   
2947 C CD   . GLN   B 73  ? 0.27402  0.438951 0.205812  0.0790323   0.0190015   0.0416725   85  GLN   A CD   
2948 O OE1  . GLN   B 73  ? 0.28115  0.416243 0.277511  0.00270268  0.0234356   0.0743847   85  GLN   A OE1  
2949 N NE2  . GLN   B 73  ? 0.336184 0.519193 0.298159  0.0867658   0.0733042   0.0267968   85  GLN   A NE2  
2950 H H    . GLN   B 73  ? 0.307394 0.282968 0.203769  0.0899148   -0.0204714  -0.0588227  85  GLN   A H    
2951 H HA   . GLN   B 73  ? 0.272822 0.280948 0.182688  0.0745834   0.00430845  -0.0149741  85  GLN   A HA   
2952 H HB2  . GLN   B 73  ? 0.290135 0.323114 0.216453  0.0743638   0.0312813   0.0185762   85  GLN   A HB2  
2953 H HB3  . GLN   B 73  ? 0.289264 0.322541 0.211072  0.0741737   0.0302465   0.0191338   85  GLN   A HB3  
2954 H HG2  . GLN   B 73  ? 0.304253 0.385739 0.240658  0.0759758   0.0429647   0.0332978   85  GLN   A HG2  
2955 H HG3  . GLN   B 73  ? 0.304168 0.389663 0.2314    0.074394    0.0409487   0.032137    85  GLN   A HG3  
2956 H HE21 . GLN   B 73  ? 0.322946 0.490793 0.265796  0.0881385   0.0534997   0.0341026   85  GLN   A HE21 
2957 H HE22 . GLN   B 73  ? 0.315803 0.493882 0.268391  0.083064    0.0529119   0.0379839   85  GLN   A HE22 
2958 N N    . VAL   B 74  ? 0.207723 0.202696 0.170282  0.0156943   0.0332835   0.022291    86  VAL   A N    
2959 C CA   . VAL   B 74  ? 0.20294  0.204255 0.169329  0.0106754   0.0209394   -0.00326954 86  VAL   A CA   
2960 C C    . VAL   B 74  ? 0.2118   0.189606 0.161263  0.0210523   0.0227961   -0.00482928 86  VAL   A C    
2961 O O    . VAL   B 74  ? 0.227685 0.193152 0.135189  0.0302826   0.0259555   -0.00109147 86  VAL   A O    
2962 C CB   . VAL   B 74  ? 0.203904 0.224884 0.178848  -0.00975333 0.0248521   -0.0122063  86  VAL   A CB   
2963 C CG1  . VAL   B 74  ? 0.222989 0.216393 0.217627  0.00173485  0.0176545   -0.0140675  86  VAL   A CG1  
2964 C CG2  . VAL   B 74  ? 0.209442 0.259815 0.159348  -0.00093485 0.0303173   -0.0370504  86  VAL   A CG2  
2965 H H    . VAL   B 74  ? 0.21541  0.209848 0.168167  0.0237628   0.0254687   0.0115341   86  VAL   A H    
2966 H HA   . VAL   B 74  ? 0.205509 0.204646 0.170065  0.0105936   0.0232662   0.00045973  86  VAL   A HA   
2967 H HB   . VAL   B 74  ? 0.207216 0.224898 0.179959  -0.00176156 0.0235754   -0.0148803  86  VAL   A HB   
2968 H HG11 . VAL   B 74  ? 0.220782 0.219565 0.207961  -0.00202124 0.0171964   -0.0123443  86  VAL   A HG11 
2969 H HG12 . VAL   B 74  ? 0.218426 0.219623 0.207066  -0.00204749 0.019399    -0.012917   86  VAL   A HG12 
2970 H HG13 . VAL   B 74  ? 0.218154 0.220287 0.208705  -0.00139573 0.0196024   -0.0114     86  VAL   A HG13 
2971 H HG21 . VAL   B 74  ? 0.207708 0.246961 0.164731  -0.00293764 0.0271034   -0.030555   86  VAL   A HG21 
2972 H HG22 . VAL   B 74  ? 0.208717 0.251846 0.167008  -0.00077385 0.0270222   -0.0306017  86  VAL   A HG22 
2973 H HG23 . VAL   B 74  ? 0.2062   0.248028 0.165913  -0.00200227 0.0287385   -0.0290174  86  VAL   A HG23 
2974 N N    . ILE   B 75  ? 0.213095 0.18308  0.151226  0.0140842   0.0233527   -0.00138902 87  ILE   A N    
2975 C CA   . ILE   B 75  ? 0.212141 0.183082 0.154336  0.00853422  0.0201312   -0.00827857 87  ILE   A CA   
2976 C C    . ILE   B 75  ? 0.217569 0.181904 0.148927  0.0233479   0.0392155   -0.0100768  87  ILE   A C    
2977 O O    . ILE   B 75  ? 0.216583 0.185581 0.166166  0.0251789   0.0331408   -0.00749991 87  ILE   A O    
2978 C CB   . ILE   B 75  ? 0.225387 0.184934 0.133995  0.00303908  0.0134529   -0.00369075 87  ILE   A CB   
2979 C CG1  . ILE   B 75  ? 0.251871 0.18793  0.13525   0.0266812   0.0236014   0.00238908  87  ILE   A CG1  
2980 C CG2  . ILE   B 75  ? 0.241518 0.215257 0.146863  0.0236771   0.0149007   -0.00283794 87  ILE   A CG2  
2981 C CD1  . ILE   B 75  ? 0.258451 0.222625 0.155818  0.038248    0.028293    0.00484367  87  ILE   A CD1  
2982 H H    . ILE   B 75  ? 0.212297 0.184224 0.154745  0.0143668   0.0217889   -0.00347692 87  ILE   A H    
2983 H HA   . ILE   B 75  ? 0.215496 0.183605 0.149837  0.0112975   0.0223578   -0.00626912 87  ILE   A HA   
2984 H HB   . ILE   B 75  ? 0.227832 0.186884 0.140625  0.0100946   0.0176932   -0.00110831 87  ILE   A HB   
2985 H HG12 . ILE   B 75  ? 0.243817 0.192365 0.140454  0.0222934   0.0219445   0.0021717   87  ILE   A HG12 
2986 H HG13 . ILE   B 75  ? 0.244036 0.193264 0.14074   0.0228859   0.0216654   0.0016696   87  ILE   A HG13 
2987 H HG21 . ILE   B 75  ? 0.236543 0.206762 0.145613  0.0170736   0.0136533   -0.00276355 87  ILE   A HG21 
2988 H HG22 . ILE   B 75  ? 0.236402 0.209253 0.146815  0.0185531   0.0127858   -0.0047064  87  ILE   A HG22 
2989 H HG23 . ILE   B 75  ? 0.235555 0.20895  0.146621  0.0171626   0.0138823   -0.00114304 87  ILE   A HG23 
2990 H HD11 . ILE   B 75  ? 0.256182 0.215647 0.153347  0.0353519   0.0255935   0.00270247  87  ILE   A HD11 
2991 H HD12 . ILE   B 75  ? 0.25563  0.215148 0.154474  0.0342855   0.0265033   0.00642974  87  ILE   A HD12 
2992 H HD13 . ILE   B 75  ? 0.256135 0.212934 0.15368   0.0335788   0.0270652   0.00378249  87  ILE   A HD13 
2993 N N    . LYS   B 76  ? 0.237314 0.181305 0.139147  0.015998    0.0349935   -0.0171113  88  LYS   A N    
2994 C CA   . LYS   B 76  ? 0.25506  0.184771 0.160029  0.0415355   0.0237717   -4.123e-05  88  LYS   A CA   
2995 C C    . LYS   B 76  ? 0.214408 0.181    0.153338  0.032602    0.0196633   0.00136786  88  LYS   A C    
2996 O O    . LYS   B 76  ? 0.229092 0.198378 0.174546  0.0382879   0.00822534  0.00133432  88  LYS   A O    
2997 C CB   . LYS   B 76  ? 0.295629 0.217944 0.164692  0.0131738   0.016813    -0.0207882  88  LYS   A CB   
2998 C CG   . LYS   B 76  ? 0.344542 0.315978 0.279609  0.0591282   0.00330237  0.00183122  88  LYS   A CG   
2999 H H    . LYS   B 76  ? 0.232787 0.18202  0.146242  0.0211228   0.0309917   -0.0121945  88  LYS   A H    
3000 H HA   . LYS   B 76  ? 0.250094 0.189212 0.156675  0.0292496   0.0229265   -0.00609087 88  LYS   A HA   
3001 H HB2  . LYS   B 76  ? 0.289561 0.219495 0.168365  0.0270525   0.0146116   -0.0161361  88  LYS   A HB2  
3002 H HB3  . LYS   B 76  ? 0.290164 0.221239 0.178032  0.0276389   0.014947    -0.0116695  88  LYS   A HB3  
3003 H HG2  . LYS   B 76  ? 0.310803 0.310803 0.310803  0           0           0           88  LYS   A HG2  
3004 H HG3  . LYS   B 76  ? 0.310803 0.310803 0.310803  0           0           0           88  LYS   A HG3  
3005 N N    . ALA   B 77  ? 0.212308 0.192333 0.154007  0.0350336   0.00294844  -0.00750734 89  ALA   A N    
3006 C CA   . ALA   B 77  ? 0.23521  0.201729 0.133601  0.0378774   0.00041962  0.00120957  89  ALA   A CA   
3007 C C    . ALA   B 77  ? 0.208452 0.16653  0.130327  0.0436594   0.00246582  -0.0053818  89  ALA   A C    
3008 O O    . ALA   B 77  ? 0.250967 0.19359  0.153457  0.0541439   -0.00618518 -0.0139051  89  ALA   A O    
3009 C CB   . ALA   B 77  ? 0.236563 0.230724 0.163903  0.0302455   0.00906343  0.0020706   89  ALA   A CB   
3010 H H    . ALA   B 77  ? 0.215165 0.191781 0.149445  0.0338451   0.00498795  -0.00345086 89  ALA   A H    
3011 H HA   . ALA   B 77  ? 0.224092 0.195019 0.141608  0.0366593   0.00241523  0.00013135  89  ALA   A HA   
3012 H HB1  . ALA   B 77  ? 0.235913 0.22273  0.157662  0.0324025   0.00674188  0.00173155  89  ALA   A HB1  
3013 H HB2  . ALA   B 77  ? 0.23579  0.224075 0.160341  0.0314227   0.00732121  -0.00057027 89  ALA   A HB2  
3014 H HB3  . ALA   B 77  ? 0.235454 0.222812 0.161265  0.0318709   0.00633261  0.00328216  89  ALA   A HB3  
3015 N N    . TRP   B 78  ? 0.229638 0.191289 0.148741  0.0373686   0.00961206  0.00611678  90  TRP   A N    
3016 C CA   . TRP   B 78  ? 0.217965 0.182672 0.152562  0.0412092   0.0186715   -0.0126414  90  TRP   A CA   
3017 C C    . TRP   B 78  ? 0.204834 0.165892 0.190395  0.0217818   0.00216296  -0.0195042  90  TRP   A C    
3018 O O    . TRP   B 78  ? 0.234709 0.18056  0.183025  0.0275423   -0.0176856  -0.0312122  90  TRP   A O    
3019 C CB   . TRP   B 78  ? 0.221383 0.181745 0.164625  0.0310969   0.0113882   -0.0148561  90  TRP   A CB   
3020 C CG   . TRP   B 78  ? 0.232296 0.18136  0.166837  0.0368691   0.00172291  -0.0198954  90  TRP   A CG   
3021 C CD1  . TRP   B 78  ? 0.236492 0.190237 0.168291  0.0448674   -0.0131541  -0.0170961  90  TRP   A CD1  
3022 C CD2  . TRP   B 78  ? 0.22341  0.165296 0.195149  0.0472751   -0.00153483 -0.0276783  90  TRP   A CD2  
3023 N NE1  . TRP   B 78  ? 0.209367 0.196161 0.181886  0.0573794   -0.00140052 -0.0195361  90  TRP   A NE1  
3024 C CE2  . TRP   B 78  ? 0.233327 0.165087 0.195928  0.0427333   -0.00743375 -0.01582    90  TRP   A CE2  
3025 C CE3  . TRP   B 78  ? 0.226656 0.171046 0.22976   0.0511792   -0.0192387  -0.020352   90  TRP   A CE3  
3026 C CZ2  . TRP   B 78  ? 0.273283 0.187154 0.203634  0.0592456   -0.0101506  -0.0335846  90  TRP   A CZ2  
3027 C CZ3  . TRP   B 78  ? 0.235764 0.167452 0.214924  0.0354469   -0.0110789  -0.0337862  90  TRP   A CZ3  
3028 C CH2  . TRP   B 78  ? 0.280766 0.178102 0.248276  0.0595001   -0.00011685 -0.0370679  90  TRP   A CH2  
3029 H H    . TRP   B 78  ? 0.221251 0.183198 0.149438  0.0388244   0.010974    -0.00046342 90  TRP   A H    
3030 H HA   . TRP   B 78  ? 0.217142 0.178591 0.157455  0.0352693   0.0134703   -0.0137407  90  TRP   A HA   
3031 H HB2  . TRP   B 78  ? 0.221957 0.182288 0.16344   0.0336281   0.0107237   -0.0146732  90  TRP   A HB2  
3032 H HB3  . TRP   B 78  ? 0.220584 0.182289 0.16366   0.0330417   0.0107646   -0.0149671  90  TRP   A HB3  
3033 H HD1  . TRP   B 78  ? 0.229158 0.190495 0.172201  0.0452572   -0.00687545 -0.0180195  90  TRP   A HD1  
3034 H HE1  . TRP   B 78  ? 0.212918 0.187834 0.181486  0.052314    -0.00333998 -0.0185491  90  TRP   A HE1  
3035 H HE3  . TRP   B 78  ? 0.227176 0.170053 0.21713   0.0456975   -0.0121517  -0.0245798  90  TRP   A HE3  
3036 H HZ2  . TRP   B 78  ? 0.263891 0.181838 0.211037  0.051863    -0.00733395 -0.0284498  90  TRP   A HZ2  
3037 H HZ3  . TRP   B 78  ? 0.237057 0.170608 0.223816  0.0409619   -0.00923768 -0.0291385  90  TRP   A HZ3  
3038 H HH2  . TRP   B 78  ? 0.264917 0.180498 0.228175  0.051905    -0.00505263 -0.0336717  90  TRP   A HH2  
3039 N N    . ASP   B 79  ? 0.214161 0.181673 0.175166  0.0256824   0.0194413   -0.0207938  91  ASP   A N    
3040 C CA   . ASP   B 79  ? 0.213933 0.185692 0.202792  0.0339582   0.0247875   -0.0317572  91  ASP   A CA   
3041 C C    . ASP   B 79  ? 0.232117 0.181482 0.201697  0.0509842   -0.00586809 -0.0255835  91  ASP   A C    
3042 O O    . ASP   B 79  ? 0.233956 0.258006 0.232696  0.0348442   -0.020015   0.0127667   91  ASP   A O    
3043 C CB   . ASP   B 79  ? 0.212446 0.211431 0.219611  0.0433338   0.029321    -0.0318699  91  ASP   A CB   
3044 C CG   . ASP   B 79  ? 0.228543 0.239089 0.205467  0.0264909   0.00557956  -0.0296704  91  ASP   A CG   
3045 O OD1  . ASP   B 79  ? 0.242845 0.207422 0.179819  0.0388901   0.011386    -0.0160098  91  ASP   A OD1  
3046 O OD2  . ASP   B 79  ? 0.277421 0.276233 0.204983  0.0301661   0.00016112  -0.054047   91  ASP   A OD2  
3047 H H    . ASP   B 79  ? 0.211335 0.179352 0.184953  0.0260986   0.0159196   -0.0220473  91  ASP   A H    
3048 H HA   . ASP   B 79  ? 0.215469 0.187397 0.199158  0.0343038   0.0183055   -0.0271867  91  ASP   A HA   
3049 H HB2  . ASP   B 79  ? 0.217998 0.211551 0.212241  0.0371637   0.0224402   -0.0300865  91  ASP   A HB2  
3050 H HB3  . ASP   B 79  ? 0.217371 0.21107  0.212709  0.0370475   0.0216949   -0.029975   91  ASP   A HB3  
3051 N N    . ILE   B 80  ? 0.242829 0.200251 0.201753  0.0705594   -0.00509241 -0.00911337 92  ILE   A N    
3052 C CA   . ILE   B 80  ? 0.263769 0.199648 0.184295  0.048658    0.00709749  -0.00962581 92  ILE   A CA   
3053 C C    . ILE   B 80  ? 0.22835  0.203214 0.172931  0.0578192   -0.0269964  -0.00587777 92  ILE   A C    
3054 O O    . ILE   B 80  ? 0.279653 0.225645 0.180032  0.0921963   -0.0540785  -0.0141532  92  ILE   A O    
3055 C CB   . ILE   B 80  ? 0.295439 0.187779 0.176221  0.0397585   0.00155577  0.0105218   92  ILE   A CB   
3056 C CG1  . ILE   B 80  ? 0.2873   0.185394 0.229494  0.0434033   0.0127854   0.00959827  92  ILE   A CG1  
3057 C CG2  . ILE   B 80  ? 0.335392 0.193713 0.208718  0.0309321   0.00344814  0.00440296  92  ILE   A CG2  
3058 C CD1  . ILE   B 80  ? 0.290451 0.222658 0.237317  0.0261017   0.00805754  -0.0116594  92  ILE   A CD1  
3059 H H    . ILE   B 80  ? 0.24447  0.195529 0.198527  0.058297    -0.00185175 -0.0125284  92  ILE   A H    
3060 H HA   . ILE   B 80  ? 0.261068 0.201537 0.185153  0.0482901   -0.00184241 -0.00557309 92  ILE   A HA   
3061 H HB   . ILE   B 80  ? 0.29049  0.191306 0.193275  0.0407094   0.00451328  0.00574931  92  ILE   A HB   
3062 H HG12 . ILE   B 80  ? 0.286753 0.19389  0.218025  0.0395391   0.00759254  0.00623911  92  ILE   A HG12 
3063 H HG13 . ILE   B 80  ? 0.287813 0.195336 0.220583  0.0387764   0.00756621  0.0046223   92  ILE   A HG13 
3064 H HG21 . ILE   B 80  ? 0.322553 0.195782 0.200896  0.0336654   0.00339635  0.00591063  92  ILE   A HG21 
3065 H HG22 . ILE   B 80  ? 0.325049 0.195944 0.201252  0.030603    0.00520866  0.00528128  92  ILE   A HG22 
3066 H HG23 . ILE   B 80  ? 0.321014 0.195569 0.200618  0.0327057   0.0033535   0.00645962  92  ILE   A HG23 
3067 H HD11 . ILE   B 80  ? 0.291523 0.215932 0.237876  0.0278337   0.0111279   -0.00676775 92  ILE   A HD11 
3068 H HD12 . ILE   B 80  ? 0.289479 0.214881 0.237199  0.0299618   0.00949775  -0.00476233 92  ILE   A HD12 
3069 H HD13 . ILE   B 80  ? 0.289972 0.213843 0.238395  0.0301835   0.0088353   -0.00562896 92  ILE   A HD13 
3070 N N    . GLY   B 81  ? 0.259892 0.186556 0.194075  0.0755833   -0.00755164 -0.00177368 93  GLY   A N    
3071 C CA   . GLY   B 81  ? 0.248036 0.203722 0.190566  0.0791269   0.0137786   0.00232318  93  GLY   A CA   
3072 C C    . GLY   B 81  ? 0.239156 0.181004 0.19477   0.0884874   -0.034954   -0.0122254  93  GLY   A C    
3073 O O    . GLY   B 81  ? 0.290629 0.215653 0.176283  0.0976611   -0.032604   -0.0256842  93  GLY   A O    
3074 H H    . GLY   B 81  ? 0.249057 0.195137 0.19152   0.0697035   -0.00508999 -0.00186361 93  GLY   A H    
3075 H HA2  . GLY   B 81  ? 0.248758 0.194751 0.189912  0.0778149   -0.00232763 -0.00056144 93  GLY   A HA2  
3076 H HA3  . GLY   B 81  ? 0.251234 0.195564 0.192739  0.0759833   -0.0014366  -0.00219017 93  GLY   A HA3  
3077 N N    . VAL   B 82  ? 0.230917 0.194699 0.210915  0.0581022   -0.0180572  -0.0269366  94  VAL   A N    
3078 C CA   . VAL   B 82  ? 0.267426 0.158573 0.22954   0.0547284   -0.0161029  -0.0375106  94  VAL   A CA   
3079 C C    . VAL   B 82  ? 0.277985 0.179519 0.246809  0.063579    -0.0396333  -0.0534342  94  VAL   A C    
3080 O O    . VAL   B 82  ? 0.304477 0.212366 0.296757  0.0836264   -0.0710402  -0.0807848  94  VAL   A O    
3081 C CB   . VAL   B 82  ? 0.280819 0.214165 0.236879  0.0324674   -0.0114912  -0.0353483  94  VAL   A CB   
3082 C CG1  . VAL   B 82  ? 0.32775  0.275468 0.27057   0.00379775  -0.0532298  -0.0240563  94  VAL   A CG1  
3083 C CG2  . VAL   B 82  ? 0.30647  0.185491 0.198259  0.0443996   -0.014266   -0.0201162  94  VAL   A CG2  
3084 H H    . VAL   B 82  ? 0.241255 0.184657 0.210608  0.0626833   -0.0208455  -0.024683   94  VAL   A H    
3085 H HA   . VAL   B 82  ? 0.262273 0.175327 0.225714  0.0546719   -0.0177508  -0.0407682  94  VAL   A HA   
3086 H HB   . VAL   B 82  ? 0.288607 0.207066 0.232951  0.0340764   -0.0187738  -0.0301121  94  VAL   A HB   
3087 H HG11 . VAL   B 82  ? 0.3136   0.263281 0.268862  0.0107405   -0.0390898  -0.0205024  94  VAL   A HG11 
3088 H HG12 . VAL   B 82  ? 0.319539 0.259579 0.263725  0.00870711  -0.0369267  -0.0269256  94  VAL   A HG12 
3089 H HG13 . VAL   B 82  ? 0.313512 0.258494 0.267494  0.0118259   -0.0381586  -0.027018   94  VAL   A HG13 
3090 H HG21 . VAL   B 82  ? 0.297048 0.193458 0.204105  0.0399462   -0.0116089  -0.0208635  94  VAL   A HG21 
3091 H HG22 . VAL   B 82  ? 0.297204 0.195066 0.20853   0.0412439   -0.0123621  -0.0231072  94  VAL   A HG22 
3092 H HG23 . VAL   B 82  ? 0.296888 0.192571 0.207104  0.0410004   -0.0117207  -0.0247092  94  VAL   A HG23 
3093 N N    . ALA   B 83  ? 0.276082 0.175261 0.227081  0.0746924   -0.0508401  -0.053334   95  ALA   A N    
3094 C CA   . ALA   B 83  ? 0.278676 0.207253 0.272654  0.107544    -0.0522594  -0.0626865  95  ALA   A CA   
3095 C C    . ALA   B 83  ? 0.304365 0.235507 0.292973  0.115142    -0.0720623  -0.0654966  95  ALA   A C    
3096 O O    . ALA   B 83  ? 0.303406 0.321838 0.320013  0.130015    -0.0866064  -0.117632   95  ALA   A O    
3097 C CB   . ALA   B 83  ? 0.245334 0.217945 0.2941    0.109005    -0.0555567  -0.0627213  95  ALA   A CB   
3098 H H    . ALA   B 83  ? 0.271985 0.182185 0.238348  0.0743759   -0.0484746  -0.0547436  95  ALA   A H    
3099 H HA   . ALA   B 83  ? 0.276428 0.207861 0.268938  0.0996129   -0.0545727  -0.0596063  95  ALA   A HA   
3100 H HB1  . ALA   B 83  ? 0.25388  0.215781 0.28957   0.105098    -0.0530242  -0.0597689  95  ALA   A HB1  
3101 H HB2  . ALA   B 83  ? 0.252954 0.215293 0.287157  0.104764    -0.0526432  -0.0599531  95  ALA   A HB2  
3102 H HB3  . ALA   B 83  ? 0.251183 0.214847 0.286629  0.106664    -0.0542989  -0.059367   95  ALA   A HB3  
3103 N N    . THR   B 84  ? 0.315053 0.220017 0.216525  0.13961     -0.0783791  -0.0541491  96  THR   A N    
3104 C CA   . THR   B 84  ? 0.342429 0.223559 0.219535  0.134372    -0.0757343  -0.0594676  96  THR   A CA   
3105 C C    . THR   B 84  ? 0.343571 0.235036 0.218202  0.123414    -0.106905   -0.0696448  96  THR   A C    
3106 O O    . THR   B 84  ? 0.429036 0.259602 0.220291  0.128284    -0.113331   -0.0533607  96  THR   A O    
3107 C CB   . THR   B 84  ? 0.347643 0.252164 0.194268  0.112918    -0.0666075  -0.0353946  96  THR   A CB   
3108 O OG1  . THR   B 84  ? 0.346759 0.256065 0.212642  0.135905    -0.0632095  -0.0481843  96  THR   A OG1  
3109 C CG2  . THR   B 84  ? 0.333891 0.243803 0.235413  0.104883    -0.0565428  -0.019959   96  THR   A CG2  
3110 H H    . THR   B 84  ? 0.309346 0.224016 0.232302  0.128629    -0.0762931  -0.0551442  96  THR   A H    
3111 H HA   . THR   B 84  ? 0.334846 0.231311 0.216449  0.125812    -0.0778344  -0.0540197  96  THR   A HA   
3112 H HB   . THR   B 84  ? 0.3422   0.246446 0.20041   0.116753    -0.0649649  -0.0375164  96  THR   A HB   
3113 H HG1  . THR   B 84  ? 0.274454 0.274454 0.274454  0           0           0           96  THR   A HG1  
3114 H HG21 . THR   B 84  ? 0.333918 0.246694 0.225683  0.103632    -0.0565485  -0.0234217  96  THR   A HG21 
3115 H HG22 . THR   B 84  ? 0.335074 0.246574 0.232067  0.10419     -0.0569414  -0.0235836  96  THR   A HG22 
3116 H HG23 . THR   B 84  ? 0.33469  0.246403 0.225846  0.104184    -0.0573833  -0.0234174  96  THR   A HG23 
3117 N N    . MET   B 85  ? 0.339429 0.196119 0.244085  0.119036    -0.0899985  -0.0725117  97  MET   A N    
3118 C CA   . MET   B 85  ? 0.34641  0.197882 0.276679  0.118757    -0.102314   -0.0597619  97  MET   A CA   
3119 C C    . MET   B 85  ? 0.341314 0.235686 0.281795  0.126496    -0.118773   -0.0730217  97  MET   A C    
3120 O O    . MET   B 85  ? 0.333612 0.251354 0.306604  0.119594    -0.114439   -0.0736981  97  MET   A O    
3121 C CB   . MET   B 85  ? 0.342851 0.203059 0.293908  0.154844    -0.0888178  -0.0775022  97  MET   A CB   
3122 C CG   . MET   B 85  ? 0.342992 0.209835 0.27631   0.131831    -0.0816211  -0.0651507  97  MET   A CG   
3123 S SD   . MET   B 85  ? 0.34735  0.232176 0.271425  0.131399    -0.106753   -0.0711805  97  MET   A SD   
3124 C CE   . MET   B 85  ? 0.306436 0.267397 0.269479  0.113481    -0.105127   -0.0827484  97  MET   A CE   
3125 H H    . MET   B 85  ? 0.339387 0.207851 0.242512  0.117572    -0.0925974  -0.0673731  97  MET   A H    
3126 H HA   . MET   B 85  ? 0.343004 0.208657 0.275605  0.123549    -0.0987101  -0.0659147  97  MET   A HA   
3127 H HB2  . MET   B 85  ? 0.341665 0.206095 0.287003  0.136776    -0.0875494  -0.0677791  97  MET   A HB2  
3128 H HB3  . MET   B 85  ? 0.341729 0.205691 0.285875  0.13677     -0.0877047  -0.0683117  97  MET   A HB3  
3129 H HG2  . MET   B 85  ? 0.341735 0.21476  0.27726   0.133529    -0.084122   -0.0674169  97  MET   A HG2  
3130 H HG3  . MET   B 85  ? 0.341592 0.213047 0.278153  0.132785    -0.0846073  -0.0669344  97  MET   A HG3  
3131 H HE1  . MET   B 85  ? 0.314945 0.260973 0.271441  0.112575    -0.100703   -0.0788527  97  MET   A HE1  
3132 H HE2  . MET   B 85  ? 0.310498 0.259109 0.270396  0.112487    -0.102157   -0.0779878  97  MET   A HE2  
3133 H HE3  . MET   B 85  ? 0.313812 0.259775 0.269797  0.113554    -0.101097   -0.077754   97  MET   A HE3  
3134 N N    . LYS   B 86  ? 0.37366  0.243786 0.328099  0.135769    -0.155114   -0.100538   98  LYS   A N    
3135 C CA   . LYS   B 86  ? 0.376629 0.269661 0.37124   0.147698    -0.197096   -0.11296    98  LYS   A CA   
3136 C C    . LYS   B 86  ? 0.382744 0.246516 0.455766  0.124466    -0.167472   -0.0769711  98  LYS   A C    
3137 O O    . LYS   B 86  ? 0.381114 0.232846 0.495189  0.10472     -0.210339   -0.124313   98  LYS   A O    
3138 C CB   . LYS   B 86  ? 0.444033 0.305854 0.332261  0.144539    -0.217051   -0.118592   98  LYS   A CB   
3139 C CG   . LYS   B 86  ? 0.492143 0.370652 0.360214  0.15504     -0.216536   -0.136311   98  LYS   A CG   
3140 C CD   . LYS   B 86  ? 0.5909   0.494874 0.414533  0.16132     -0.189403   -0.094811   98  LYS   A CD   
3141 C CE   . LYS   B 86  ? 0.626053 0.529882 0.461556  0.120459    -0.176848   -0.0440845  98  LYS   A CE   
3142 N NZ   . LYS   B 86  ? 0.658933 0.615545 0.410375  0.121955    -0.181058   -0.0318759  98  LYS   A NZ   
3143 H H    . LYS   B 86  ? 0.366563 0.249319 0.325356  0.131898    -0.150497   -0.0924561  98  LYS   A H    
3144 H HA   . LYS   B 86  ? 0.383395 0.267193 0.366936  0.138521    -0.178502   -0.102253   98  LYS   A HA   
3145 H HB2  . LYS   B 86  ? 0.436824 0.311437 0.348323  0.141283    -0.206372   -0.115908   98  LYS   A HB2  
3146 H HB3  . LYS   B 86  ? 0.434442 0.310941 0.347908  0.142676    -0.205714   -0.116768   98  LYS   A HB3  
3147 H HG2  . LYS   B 86  ? 0.490057 0.372848 0.362095  0.149278    -0.204045   -0.120232   98  LYS   A HG2  
3148 H HG3  . LYS   B 86  ? 0.490464 0.373399 0.362514  0.147535    -0.204374   -0.119434   98  LYS   A HG3  
3149 H HD2  . LYS   B 86  ? 0.571733 0.468242 0.409983  0.144222    -0.189238   -0.0902319  98  LYS   A HD2  
3150 H HD3  . LYS   B 86  ? 0.576734 0.466965 0.41006   0.153236    -0.18633    -0.091775   98  LYS   A HD3  
3151 H HE2  . LYS   B 86  ? 0.624228 0.53981  0.454345  0.127022    -0.17009    -0.0501877  98  LYS   A HE2  
3152 H HE3  . LYS   B 86  ? 0.623571 0.541794 0.445311  0.123956    -0.176342   -0.0493288  98  LYS   A HE3  
3153 H HZ1  . LYS   B 86  ? 0.646758 0.590405 0.432868  0.113957    -0.177201   -0.0332736  98  LYS   A HZ1  
3154 H HZ2  . LYS   B 86  ? 0.640612 0.583297 0.424384  0.116843    -0.178364   -0.0384887  98  LYS   A HZ2  
3155 H HZ3  . LYS   B 86  ? 0.645101 0.591245 0.4326    0.117052    -0.175112   -0.0377946  98  LYS   A HZ3  
3156 N N    . LYS   B 87  ? 0.369832 0.245209 0.473595  0.121815    -0.180279   -0.122416   99  LYS   A N    
3157 C CA   . LYS   B 87  ? 0.400735 0.248908 0.443328  0.121375    -0.217482   -0.096408   99  LYS   A CA   
3158 C C    . LYS   B 87  ? 0.369073 0.276138 0.430287  0.131579    -0.230729   -0.111641   99  LYS   A C    
3159 O O    . LYS   B 87  ? 0.49255  0.300154 0.441591  0.148776    -0.257266   -0.168894   99  LYS   A O    
3160 C CB   . LYS   B 87  ? 0.437264 0.263057 0.482892  0.0499173   -0.206888   -0.0742606  99  LYS   A CB   
3161 C CG   . LYS   B 87  ? 0.431584 0.36823  0.500584  0.0128939   -0.176842   -0.0242147  99  LYS   A CG   
3162 C CD   . LYS   B 87  ? 0.533499 0.468908 0.608798  -0.0502048  -0.147336   -0.0185715  99  LYS   A CD   
3163 C CE   . LYS   B 87  ? 0.595731 0.446129 0.731756  -0.0344369  -0.14928    0.0117918   99  LYS   A CE   
3164 N NZ   . LYS   B 87  ? 0.675858 0.489869 0.816593  -0.0301462  -0.109148   0.0319149   99  LYS   A NZ   
3165 H H    . LYS   B 87  ? 0.378409 0.250362 0.458788  0.119855    -0.179804   -0.101506   99  LYS   A H    
3166 H HA   . LYS   B 87  ? 0.393864 0.260148 0.443282  0.108191    -0.207252   -0.0976459  99  LYS   A HA   
3167 H HB2  . LYS   B 87  ? 0.426997 0.283887 0.47423   0.0581798   -0.196483   -0.0664972  99  LYS   A HB2  
3168 H HB3  . LYS   B 87  ? 0.426853 0.283599 0.473335  0.0583555   -0.196245   -0.0667408  99  LYS   A HB3  
3169 H HG2  . LYS   B 87  ? 0.450168 0.359846 0.51139   0.00953547  -0.175146   -0.0334843  99  LYS   A HG2  
3170 H HG3  . LYS   B 87  ? 0.447233 0.35727  0.504829  0.0104732   -0.176765   -0.0357148  99  LYS   A HG3  
3171 H HD2  . LYS   B 87  ? 0.517054 0.442305 0.6029    -0.0317003  -0.152377   -0.0086857  99  LYS   A HD2  
3172 H HD3  . LYS   B 87  ? 0.519428 0.438453 0.605303  -0.0296724  -0.144832   -0.0127354  99  LYS   A HD3  
3173 H HE2  . LYS   B 87  ? 0.593941 0.465686 0.712098  -0.0365186  -0.136692   0.0102221   99  LYS   A HE2  
3174 H HE3  . LYS   B 87  ? 0.593162 0.463328 0.710679  -0.0354159  -0.135412   0.00816499  99  LYS   A HE3  
3175 H HZ1  . LYS   B 87  ? 0.657117 0.481895 0.797558  -0.0303821  -0.107234   0.02553     99  LYS   A HZ1  
3176 H HZ2  . LYS   B 87  ? 0.650311 0.486004 0.790068  -0.0322718  -0.118375   0.0295119   99  LYS   A HZ2  
3177 H HZ3  . LYS   B 87  ? 0.650107 0.487046 0.787917  -0.0303582  -0.116336   0.0236604   99  LYS   A HZ3  
3178 N N    . GLY   B 88  ? 0.45204  0.239207 0.467269  0.132358    -0.232733   -0.118174   100 GLY   A N    
3179 C CA   . GLY   B 88  ? 0.469351 0.292568 0.422671  0.139674    -0.235939   -0.128871   100 GLY   A CA   
3180 C C    . GLY   B 88  ? 0.439565 0.231325 0.401505  0.119571    -0.237443   -0.108112   100 GLY   A C    
3181 O O    . GLY   B 88  ? 0.548641 0.271676 0.462696  0.182518    -0.240759   -0.178953   100 GLY   A O    
3182 H H    . GLY   B 88  ? 0.432906 0.26402  0.456651  0.130414    -0.223942   -0.113186   100 GLY   A H    
3183 H HA2  . GLY   B 88  ? 0.456713 0.27531  0.43102   0.127831    -0.226551   -0.122289   100 GLY   A HA2  
3184 H HA3  . GLY   B 88  ? 0.455369 0.270241 0.426258  0.128866    -0.227296   -0.118663   100 GLY   A HA3  
3185 N N    . GLU   B 89  ? 0.413451 0.253398 0.424303  0.124825    -0.220448   -0.139195   101 GLU   A N    
3186 C CA   . GLU   B 89  ? 0.371697 0.226121 0.361273  0.137383    -0.163091   -0.106985   101 GLU   A CA   
3187 C C    . GLU   B 89  ? 0.389433 0.241762 0.328255  0.165186    -0.148088   -0.110736   101 GLU   A C    
3188 O O    . GLU   B 89  ? 0.373382 0.273481 0.327189  0.142352    -0.149769   -0.0973216  101 GLU   A O    
3189 C CB   . GLU   B 89  ? 0.399163 0.252924 0.352334  0.14897     -0.157971   -0.103011   101 GLU   A CB   
3190 C CG   . GLU   B 89  ? 0.393775 0.288361 0.30768   0.146029    -0.161133   -0.112197   101 GLU   A CG   
3191 C CD   . GLU   B 89  ? 0.363444 0.296093 0.290446  0.141045    -0.12734    -0.162241   101 GLU   A CD   
3192 O OE1  . GLU   B 89  ? 0.378886 0.313581 0.338562  0.164377    -0.13215    -0.138942   101 GLU   A OE1  
3193 O OE2  . GLU   B 89  ? 0.389619 0.278315 0.296566  0.151872    -0.150564   -0.125012   101 GLU   A OE2  
3194 H H    . GLU   B 89  ? 0.41154  0.247849 0.404538  0.121392    -0.205072   -0.118208   101 GLU   A H    
3195 H HA   . GLU   B 89  ? 0.387187 0.241513 0.362616  0.139797    -0.164482   -0.110129   101 GLU   A HA   
3196 H HB2  . GLU   B 89  ? 0.391362 0.257065 0.346308  0.141147    -0.15227    -0.102877   101 GLU   A HB2  
3197 H HB3  . GLU   B 89  ? 0.390023 0.256976 0.34885   0.141463    -0.154863   -0.101391   101 GLU   A HB3  
3198 H HG2  . GLU   B 89  ? 0.380734 0.283586 0.312328  0.14275     -0.14941    -0.117412   101 GLU   A HG2  
3199 H HG3  . GLU   B 89  ? 0.385472 0.284148 0.316021  0.142154    -0.148415   -0.117265   101 GLU   A HG3  
3200 N N    . ILE   B 90  ? 0.397255 0.304036 0.285918  0.170817    -0.150816   -0.109287   102 ILE   A N    
3201 C CA   . ILE   B 90  ? 0.370932 0.298873 0.299542  0.196508    -0.13675    -0.12181    102 ILE   A CA   
3202 C C    . ILE   B 90  ? 0.377539 0.31845  0.243424  0.180788    -0.151389   -0.112745   102 ILE   A C    
3203 O O    . ILE   B 90  ? 0.470586 0.353968 0.274064  0.228603    -0.155049   -0.160812   102 ILE   A O    
3204 C CB   . ILE   B 90  ? 0.449576 0.292065 0.302082  0.210063    -0.135328   -0.144012   102 ILE   A CB   
3205 C CG1  . ILE   B 90  ? 0.498791 0.291912 0.344781  0.214467    -0.155956   -0.113914   102 ILE   A CG1  
3206 C CG2  . ILE   B 90  ? 0.473069 0.268355 0.338759  0.217331    -0.161613   -0.0991796  102 ILE   A CG2  
3207 C CD1  . ILE   B 90  ? 0.522564 0.289417 0.36499   0.204934    -0.157215   -0.116099   102 ILE   A CD1  
3208 H H    . ILE   B 90  ? 0.38767  0.287613 0.292125  0.17011     -0.142907   -0.110147   102 ILE   A H    
3209 H HA   . ILE   B 90  ? 0.387827 0.302639 0.292352  0.184431    -0.138463   -0.116486   102 ILE   A HA   
3210 H HB   . ILE   B 90  ? 0.442297 0.29112  0.305673  0.204535    -0.136679   -0.123713   102 ILE   A HB   
3211 H HG12 . ILE   B 90  ? 0.486742 0.29284  0.345725  0.20352     -0.146239   -0.117184   102 ILE   A HG12 
3212 H HG13 . ILE   B 90  ? 0.487803 0.293814 0.340916  0.205308    -0.144957   -0.117602   102 ILE   A HG13 
3213 H HG21 . ILE   B 90  ? 0.460272 0.270936 0.330972  0.210962    -0.148467   -0.108667   102 ILE   A HG21 
3214 H HG22 . ILE   B 90  ? 0.462275 0.276768 0.338404  0.209121    -0.150403   -0.106526   102 ILE   A HG22 
3215 H HG23 . ILE   B 90  ? 0.460961 0.276017 0.330132  0.208764    -0.148467   -0.10797    102 ILE   A HG23 
3216 H HD11 . ILE   B 90  ? 0.51269  0.29218  0.36411   0.202085    -0.150868   -0.11125    102 ILE   A HD11 
3217 H HD12 . ILE   B 90  ? 0.512448 0.291775 0.361977  0.2015      -0.150385   -0.111237   102 ILE   A HD12 
3218 H HD13 . ILE   B 90  ? 0.513505 0.291988 0.36201   0.201978    -0.148801   -0.11149    102 ILE   A HD13 
3219 N N    . ALA   B 91  ? 0.326744 0.311251 0.24295   0.164703    -0.120248   -0.109994   103 ALA   A N    
3220 C CA   . ALA   B 91  ? 0.349605 0.325659 0.200045  0.166912    -0.0832893  -0.0841416  103 ALA   A CA   
3221 C C    . ALA   B 91  ? 0.312377 0.248782 0.206172  0.13614     -0.0570885  -0.0905448  103 ALA   A C    
3222 O O    . ALA   B 91  ? 0.318635 0.277808 0.196481  0.141019    -0.0604558  -0.0597597  103 ALA   A O    
3223 C CB   . ALA   B 91  ? 0.330949 0.305123 0.244959  0.174265    -0.0701198  -0.0530345  103 ALA   A CB   
3224 H H    . ALA   B 91  ? 0.342357 0.315037 0.241279  0.164413    -0.115908   -0.102848   103 ALA   A H    
3225 H HA   . ALA   B 91  ? 0.333545 0.30237  0.210318  0.157368    -0.0782247  -0.0837469  103 ALA   A HA   
3226 H HB1  . ALA   B 91  ? 0.336066 0.310223 0.235387  0.166417    -0.0705345  -0.0600219  103 ALA   A HB1  
3227 H HB2  . ALA   B 91  ? 0.335593 0.310245 0.239894  0.166327    -0.0727454  -0.0597145  103 ALA   A HB2  
3228 H HB3  . ALA   B 91  ? 0.334456 0.308574 0.234623  0.165152    -0.0712332  -0.0595064  103 ALA   A HB3  
3229 N N    . HIS   B 92  ? 0.323969 0.271728 0.195235  0.121834    -0.0631124  -0.0993432  104 HIS   A N    
3230 C CA   . HIS   B 92  ? 0.308386 0.2592   0.177297  0.121623    -0.0423892  -0.0705233  104 HIS   A CA   
3231 C C    . HIS   B 92  ? 0.347485 0.271163 0.156881  0.148416    -0.038229   -0.0447114  104 HIS   A C    
3232 O O    . HIS   B 92  ? 0.406613 0.258445 0.165261  0.151747    -0.075755   -0.0348199  104 HIS   A O    
3233 C CB   . HIS   B 92  ? 0.3343   0.253159 0.198927  0.133913    -0.0570831  -0.047103   104 HIS   A CB   
3234 C CG   . HIS   B 92  ? 0.333413 0.249802 0.179067  0.12296     -0.061548   -0.0549128  104 HIS   A CG   
3235 N ND1  . HIS   B 92  ? 0.334962 0.24667  0.223359  0.123316    -0.0460896  -0.0502545  104 HIS   A ND1  
3236 C CD2  . HIS   B 92  ? 0.291045 0.211374 0.194193  0.120693    -0.0630052  -0.0481708  104 HIS   A CD2  
3237 C CE1  . HIS   B 92  ? 0.293681 0.265711 0.196111  0.102992    -0.0572834  -0.0490198  104 HIS   A CE1  
3238 N NE2  . HIS   B 92  ? 0.309785 0.235883 0.180972  0.126068    -0.0763717  -0.0662061  104 HIS   A NE2  
3239 H H    . HIS   B 92  ? 0.316656 0.264205 0.199036  0.122329    -0.0550922  -0.0880109  104 HIS   A H    
3240 H HA   . HIS   B 92  ? 0.320644 0.262066 0.183734  0.125779    -0.0465804  -0.0644203  104 HIS   A HA   
3241 H HB2  . HIS   B 92  ? 0.326603 0.254605 0.192827  0.125217    -0.0525035  -0.0527072  104 HIS   A HB2  
3242 H HB3  . HIS   B 92  ? 0.328675 0.255416 0.191831  0.126551    -0.0515922  -0.0518395  104 HIS   A HB3  
3243 H HD1  . HIS   B 92  ? 0.266728 0.266728 0.266728  0           0           0           104 HIS   A HD1  
3244 H HD2  . HIS   B 92  ? 0.300298 0.226551 0.188515  0.119366    -0.0614503  -0.0520511  104 HIS   A HD2  
3245 H HE1  . HIS   B 92  ? 0.306879 0.256025 0.200094  0.107536    -0.058981   -0.0502296  104 HIS   A HE1  
3246 H HE2  . HIS   B 92  ? 0.238485 0.238485 0.238485  0           0           0           104 HIS   A HE2  
3247 N N    . LEU   B 93  ? 0.355433 0.245351 0.132703  0.159582    -0.0393751  -0.039209   105 LEU   A N    
3248 C CA   . LEU   B 93  ? 0.334705 0.2543   0.125153  0.116109    -0.027948   -0.0377401  105 LEU   A CA   
3249 C C    . LEU   B 93  ? 0.300572 0.223421 0.148683  0.118387    -0.0242688  -0.0427644  105 LEU   A C    
3250 O O    . LEU   B 93  ? 0.305993 0.257037 0.187093  0.137927    -0.0435028  -0.0102583  105 LEU   A O    
3251 C CB   . LEU   B 93  ? 0.316388 0.224067 0.126778  0.111662    -0.0277093  -0.0234066  105 LEU   A CB   
3252 C CG   . LEU   B 93  ? 0.322019 0.237469 0.17989   0.0949474   -0.0253459  -0.0305568  105 LEU   A CG   
3253 C CD1  . LEU   B 93  ? 0.301534 0.255082 0.206564  0.0903492   -0.00751315 -0.0230096  105 LEU   A CD1  
3254 C CD2  . LEU   B 93  ? 0.326481 0.231955 0.172632  0.0802567   -0.0373641  -0.0185676  105 LEU   A CD2  
3255 H H    . LEU   B 93  ? 0.345568 0.249789 0.137139  0.144239    -0.0359509  -0.0343774  105 LEU   A H    
3256 H HA   . LEU   B 93  ? 0.326097 0.242914 0.137577  0.120613    -0.0272184  -0.0343657  105 LEU   A HA   
3257 H HB2  . LEU   B 93  ? 0.318397 0.229319 0.133972  0.107922    -0.0281763  -0.0212806  105 LEU   A HB2  
3258 H HB3  . LEU   B 93  ? 0.318785 0.229464 0.139445  0.106187    -0.0264805  -0.0263997  105 LEU   A HB3  
3259 H HG   . LEU   B 93  ? 0.316686 0.236746 0.174478  0.0922908   -0.0239607  -0.0244574  105 LEU   A HG   
3260 H HD11 . LEU   B 93  ? 0.306169 0.251878 0.203098  0.0884394   -0.0115081  -0.025544   105 LEU   A HD11 
3261 H HD12 . LEU   B 93  ? 0.304143 0.250877 0.200991  0.0887971   -0.0123995  -0.0243374  105 LEU   A HD12 
3262 H HD13 . LEU   B 93  ? 0.306057 0.252955 0.201112  0.0894056   -0.01205    -0.0238255  105 LEU   A HD13 
3263 H HD21 . LEU   B 93  ? 0.323499 0.234467 0.179107  0.0822131   -0.033271   -0.0202147  105 LEU   A HD21 
3264 H HD22 . LEU   B 93  ? 0.322938 0.232834 0.177799  0.0818848   -0.0326758  -0.0208849  105 LEU   A HD22 
3265 H HD23 . LEU   B 93  ? 0.322509 0.234102 0.177823  0.0821999   -0.0326591  -0.0207055  105 LEU   A HD23 
3266 N N    . LEU   B 94  ? 0.297175 0.279605 0.119223  0.120429    0.0243058   -0.00821869 106 LEU   A N    
3267 C CA   . LEU   B 94  ? 0.283383 0.274641 0.119296  0.0985935   0.0327776   0.00314661  106 LEU   A CA   
3268 C C    . LEU   B 94  ? 0.277669 0.28988  0.138415  0.0984951   0.0341256   0.0053476   106 LEU   A C    
3269 O O    . LEU   B 94  ? 0.302825 0.268149 0.144266  0.11908     0.0281692   0.0137747   106 LEU   A O    
3270 C CB   . LEU   B 94  ? 0.312958 0.320802 0.13307   0.115047    0.0409125   0.00484279  106 LEU   A CB   
3271 C CG   . LEU   B 94  ? 0.319975 0.303041 0.154319  0.108785    0.0412705   0.0108057   106 LEU   A CG   
3272 C CD1  . LEU   B 94  ? 0.289107 0.299141 0.152729  0.105401    0.00025458  -0.0011054  106 LEU   A CD1  
3273 C CD2  . LEU   B 94  ? 0.335999 0.36945  0.217213  0.10215     0.0714353   0.0460846   106 LEU   A CD2  
3274 H H    . LEU   B 94  ? 0.294112 0.262169 0.131007  0.112232    0.0136411   -0.0129024  106 LEU   A H    
3275 H HA   . LEU   B 94  ? 0.287461 0.281683 0.127488  0.103935    0.0298423   0.00407093  106 LEU   A HA   
3276 H HB2  . LEU   B 94  ? 0.305508 0.30789  0.139769  0.106566    0.0384846   0.00813068  106 LEU   A HB2  
3277 H HB3  . LEU   B 94  ? 0.305836 0.306717 0.141001  0.105797    0.0393306   0.0049911   106 LEU   A HB3  
3278 H HG   . LEU   B 94  ? 0.312431 0.308121 0.159805  0.105631    0.0373769   0.0101644   106 LEU   A HG   
3279 H HD11 . LEU   B 94  ? 0.295943 0.297919 0.16045   0.103041    0.00960411  0.00178188  106 LEU   A HD11 
3280 H HD12 . LEU   B 94  ? 0.290483 0.297933 0.157219  0.101837    0.0100507   0.00179302  106 LEU   A HD12 
3281 H HD13 . LEU   B 94  ? 0.294869 0.296832 0.157116  0.103055    0.011256    0.00138728  106 LEU   A HD13 
3282 H HD21 . LEU   B 94  ? 0.331704 0.351672 0.201511  0.0989112   0.0621061   0.0306695   106 LEU   A HD21 
3283 H HD22 . LEU   B 94  ? 0.331046 0.356608 0.203601  0.101335    0.0605436   0.0402507   106 LEU   A HD22 
3284 H HD23 . LEU   B 94  ? 0.334472 0.34768  0.199731  0.101918    0.0618496   0.0345325   106 LEU   A HD23 
3285 N N    . ILE   B 95  ? 0.242252 0.279532 0.141141  0.0951309   0.0145413   0.00835355  107 ILE   A N    
3286 C CA   . ILE   B 95  ? 0.232285 0.237947 0.166118  0.0707494   0.0282393   0.0166611   107 ILE   A CA   
3287 C C    . ILE   B 95  ? 0.221684 0.275668 0.186226  0.0707783   0.0360767   -0.00468096 107 ILE   A C    
3288 O O    . ILE   B 95  ? 0.236935 0.276713 0.157283  0.0620685   0.0259544   0.0170377   107 ILE   A O    
3289 C CB   . ILE   B 95  ? 0.216433 0.238681 0.154939  0.0598918   0.0382276   0.00315595  107 ILE   A CB   
3290 C CG1  . ILE   B 95  ? 0.22978  0.273277 0.164459  0.066238    0.0460537   -0.017975   107 ILE   A CG1  
3291 C CG2  . ILE   B 95  ? 0.214466 0.261822 0.14962   0.0551171   0.0302443   -0.00464811 107 ILE   A CG2  
3292 C CD1  . ILE   B 95  ? 0.240311 0.27834  0.172228  0.0707225   0.0423324   -0.0146179  107 ILE   A CD1  
3293 H H    . ILE   B 95  ? 0.244354 0.267817 0.147821  0.0901857   0.0203169   0.0110216   107 ILE   A H    
3294 H HA   . ILE   B 95  ? 0.227766 0.249926 0.162449  0.0729993   0.0267909   0.0106874   107 ILE   A HA   
3295 H HB   . ILE   B 95  ? 0.219809 0.246988 0.157923  0.0616189   0.0343343   0.00156705  107 ILE   A HB   
3296 H HG12 . ILE   B 95  ? 0.230625 0.265367 0.16523   0.0617845   0.0428406   -0.01248    107 ILE   A HG12 
3297 H HG13 . ILE   B 95  ? 0.228911 0.26355  0.163198  0.0643739   0.0429758   -0.0131282  107 ILE   A HG13 
3298 H HG21 . ILE   B 95  ? 0.215586 0.254283 0.154405  0.0549518   0.0313812   -0.00271341 107 ILE   A HG21 
3299 H HG22 . ILE   B 95  ? 0.215659 0.254552 0.154311  0.0539433   0.0321009   -0.00291773 107 ILE   A HG22 
3300 H HG23 . ILE   B 95  ? 0.214306 0.253678 0.153824  0.0541625   0.0312747   -0.00246938 107 ILE   A HG23 
3301 H HD11 . ILE   B 95  ? 0.237105 0.2751   0.171947  0.0667635   0.0417696   -0.0149049  107 ILE   A HD11 
3302 H HD12 . ILE   B 95  ? 0.237691 0.275697 0.172264  0.0674967   0.0423445   -0.0146103  107 ILE   A HD12 
3303 H HD13 . ILE   B 95  ? 0.236906 0.274912 0.172588  0.0666259   0.0414874   -0.0143971  107 ILE   A HD13 
3304 N N    . LYS   B 96  ? 0.228633 0.283224 0.167361  0.063035    0.0365245   0.0104077   108 LYS   A N    
3305 C CA   . LYS   B 96  ? 0.217477 0.295105 0.203738  0.0426435   0.0328673   0.0666215   108 LYS   A CA   
3306 C C    . LYS   B 96  ? 0.222641 0.262099 0.207886  0.0238889   0.0332244   0.0589488   108 LYS   A C    
3307 O O    . LYS   B 96  ? 0.223189 0.237042 0.197016  0.0400743   0.0432832   0.0421928   108 LYS   A O    
3308 C CB   . LYS   B 96  ? 0.250488 0.336083 0.241765  0.0519302   0.0384978   0.109137    108 LYS   A CB   
3309 C CG   . LYS   B 96  ? 0.251168 0.411067 0.284533  0.0579283   0.0855591   0.140376    108 LYS   A CG   
3310 C CD   . LYS   B 96  ? 0.337628 0.451797 0.323616  0.0564572   0.0690339   0.169323    108 LYS   A CD   
3311 C CE   . LYS   B 96  ? 0.282471 0.530663 0.41289   0.061432    0.115161    0.277957    108 LYS   A CE   
3312 N NZ   . LYS   B 96  ? 0.326238 0.590675 0.517678  0.0647955   0.0926631   0.26421     108 LYS   A NZ   
3313 H H    . LYS   B 96  ? 0.225276 0.282191 0.181156  0.0589969   0.0346927   0.0194007   108 LYS   A H    
3314 H HA   . LYS   B 96  ? 0.223981 0.289127 0.202209  0.0444672   0.03356     0.0581983   108 LYS   A HA   
3315 H HB2  . LYS   B 96  ? 0.245527 0.333703 0.237591  0.0478038   0.0452728   0.100958    108 LYS   A HB2  
3316 H HB3  . LYS   B 96  ? 0.243773 0.333841 0.238752  0.0487692   0.0454799   0.101419    108 LYS   A HB3  
3317 H HG2  . LYS   B 96  ? 0.262539 0.391495 0.278938  0.0575279   0.0684498   0.13437     108 LYS   A HG2  
3318 H HG3  . LYS   B 96  ? 0.268182 0.394151 0.279758  0.0568605   0.0695297   0.135278    108 LYS   A HG3  
3319 H HD2  . LYS   B 96  ? 0.31956  0.450574 0.325175  0.0491316   0.0811039   0.177137    108 LYS   A HD2  
3320 H HD3  . LYS   B 96  ? 0.306578 0.448047 0.325324  0.0535985   0.0790651   0.17684     108 LYS   A HD3  
3321 H HE2  . LYS   B 96  ? 0.299396 0.512955 0.405171  0.0651642   0.0962891   0.241719    108 LYS   A HE2  
3322 H HE3  . LYS   B 96  ? 0.311    0.516722 0.407036  0.0634399   0.0992249   0.243323    108 LYS   A HE3  
3323 H HZ1  . LYS   B 96  ? 0.321555 0.565678 0.483288  0.0632175   0.0970333   0.26158     108 LYS   A HZ1  
3324 H HZ2  . LYS   B 96  ? 0.32638  0.565677 0.48219   0.0598442   0.095978    0.260311    108 LYS   A HZ2  
3325 H HZ3  . LYS   B 96  ? 0.323623 0.566217 0.499405  0.0622819   0.0884552   0.260821    108 LYS   A HZ3  
3326 N N    . PRO   B 97  ? 0.223968 0.290679 0.183064  0.0244204   0.0298918   0.0510632   109 PRO   A N    
3327 C CA   . PRO   B 97  ? 0.247547 0.282753 0.183631  -0.0109504  0.0311355   0.0416291   109 PRO   A CA   
3328 C C    . PRO   B 97  ? 0.234738 0.264355 0.190358  -0.0160544  0.0139048   0.0129929   109 PRO   A C    
3329 O O    . PRO   B 97  ? 0.25747  0.265802 0.210776  -0.0221926  0.0452555   0.0302574   109 PRO   A O    
3330 C CB   . PRO   B 97  ? 0.27195  0.336908 0.250656  -0.0241268  0.0253119   0.0599178   109 PRO   A CB   
3331 C CG   . PRO   B 97  ? 0.269833 0.333448 0.266948  0.00547954  0.0239969   0.0633838   109 PRO   A CG   
3332 C CD   . PRO   B 97  ? 0.258726 0.308635 0.241368  -0.00156429 0.0115315   0.0776077   109 PRO   A CD   
3333 H HA   . PRO   B 97  ? 0.243428 0.282651 0.195139  -0.00726567 0.026357    0.0409058   109 PRO   A HA   
3334 H HB2  . PRO   B 97  ? 0.265318 0.327527 0.238896  -0.0149698  0.0257783   0.057004    109 PRO   A HB2  
3335 H HB3  . PRO   B 97  ? 0.266238 0.324944 0.24069   -0.015938   0.0277608   0.0509056   109 PRO   A HB3  
3336 H HG2  . PRO   B 97  ? 0.268562 0.331529 0.25761   -0.00096145 0.0205362   0.0637652   109 PRO   A HG2  
3337 H HG3  . PRO   B 97  ? 0.267203 0.327016 0.257025  -0.0019261  0.0206794   0.0640707   109 PRO   A HG3  
3338 H HD2  . PRO   B 97  ? 0.25218  0.306655 0.230033  0.00628432  0.0188512   0.0679869   109 PRO   A HD2  
3339 H HD3  . PRO   B 97  ? 0.253171 0.312574 0.231928  0.00422886  0.0176908   0.0681732   109 PRO   A HD3  
3340 N N    . GLU   B 98  ? 0.27502  0.269246 0.222399  -0.00066702 0.0577789   0.0203325   110 GLU   A N    
3341 C CA   . GLU   B 98  ? 0.279394 0.259142 0.218651  0.0119036   0.0459828   0.0103093   110 GLU   A CA   
3342 C C    . GLU   B 98  ? 0.271207 0.253882 0.201152  0.021669    0.0361176   0.0353836   110 GLU   A C    
3343 O O    . GLU   B 98  ? 0.309491 0.225831 0.2186    0.0351043   0.057914    0.0392505   110 GLU   A O    
3344 C CB   . GLU   B 98  ? 0.307367 0.280211 0.290552  0.00785913  0.0697486   0.0434052   110 GLU   A CB   
3345 C CG   . GLU   B 98  ? 0.381644 0.32359  0.426638  0.0125103   0.0655396   0.0420702   110 GLU   A CG   
3346 C CD   . GLU   B 98  ? 0.325749 0.36568  0.441205  -0.0434525  0.0854312   0.0401632   110 GLU   A CD   
3347 O OE1  . GLU   B 98  ? 0.326362 0.31261  0.31194   0.0228306   0.0931859   0.0715863   110 GLU   A OE1  
3348 O OE2  . GLU   B 98  ? 0.356714 0.438995 0.594621  -0.0260005  0.0776136   -0.0125253  110 GLU   A OE2  
3349 H H    . GLU   B 98  ? 0.263154 0.266232 0.212563  -0.00173676 0.0441475   0.0171427   110 GLU   A H    
3350 H HA   . GLU   B 98  ? 0.27936  0.261562 0.21917   0.00962783  0.0472144   0.0189651   110 GLU   A HA   
3351 H HB2  . GLU   B 98  ? 0.309259 0.281133 0.292673  0.00968944  0.0612461   0.034956    110 GLU   A HB2  
3352 H HB3  . GLU   B 98  ? 0.310016 0.280822 0.290725  0.00961427  0.0607519   0.0340214   110 GLU   A HB3  
3353 H HG2  . GLU   B 98  ? 0.349087 0.32494  0.393003  -0.00092845 0.0695713   0.0401599   110 GLU   A HG2  
3354 H HG3  . GLU   B 98  ? 0.348481 0.32296  0.403793  -0.00024529 0.0716371   0.0437541   110 GLU   A HG3  
3355 N N    . TYR   B 99  ? 0.265316 0.242883 0.160437  0.0111527   0.0386196   0.0170897   111 TYR   A N    
3356 C CA   . TYR   B 99  ? 0.229105 0.235991 0.149491  0.041477    0.0207289   0.0121025   111 TYR   A CA   
3357 C C    . TYR   B 99  ? 0.204253 0.227953 0.159537  0.0311474   0.0582819   -0.00584972 111 TYR   A C    
3358 O O    . TYR   B 99  ? 0.224278 0.238358 0.14204   0.0179448   0.044497    0.00563322  111 TYR   A O    
3359 C CB   . TYR   B 99  ? 0.233504 0.232819 0.156556  0.0412977   0.0290536   0.0200485   111 TYR   A CB   
3360 C CG   . TYR   B 99  ? 0.267005 0.220228 0.197778  0.038408    0.0358981   0.0202262   111 TYR   A CG   
3361 C CD1  . TYR   B 99  ? 0.261227 0.241004 0.210381  0.0478773   0.0434155   0.0299205   111 TYR   A CD1  
3362 C CD2  . TYR   B 99  ? 0.248541 0.250197 0.193506  0.028991    0.0601628   0.0338807   111 TYR   A CD2  
3363 C CE1  . TYR   B 99  ? 0.252271 0.246811 0.234778  0.00655842  0.0627189   0.0651435   111 TYR   A CE1  
3364 C CE2  . TYR   B 99  ? 0.266006 0.253289 0.241914  0.0383262   0.0408125   0.0297052   111 TYR   A CE2  
3365 C CZ   . TYR   B 99  ? 0.281292 0.239941 0.227375  0.0314979   0.0298127   0.0494744   111 TYR   A CZ   
3366 O OH   . TYR   B 99  ? 0.351303 0.289002 0.271591  0.0437233   0.0126305   0.0842071   111 TYR   A OH   
3367 H H    . TYR   B 99  ? 0.257656 0.243407 0.169058  0.0191098   0.0317591   0.0196752   111 TYR   A H    
3368 H HA   . TYR   B 99  ? 0.231682 0.234042 0.156845  0.0334714   0.0324725   0.0107352   111 TYR   A HA   
3369 H HB2  . TYR   B 99  ? 0.23625  0.230141 0.163852  0.0403786   0.0287542   0.0169854   111 TYR   A HB2  
3370 H HB3  . TYR   B 99  ? 0.237072 0.230187 0.164197  0.0390505   0.0280747   0.0172972   111 TYR   A HB3  
3371 H HD1  . TYR   B 99  ? 0.256893 0.237003 0.212805  0.035976    0.044344    0.0347483   111 TYR   A HD1  
3372 H HD2  . TYR   B 99  ? 0.250547 0.240231 0.203743  0.0282978   0.0514874   0.0314099   111 TYR   A HD2  
3373 H HE1  . TYR   B 99  ? 0.24999  0.238325 0.223737  0.0141399   0.0547156   0.055466    111 TYR   A HE1  
3374 H HE2  . TYR   B 99  ? 0.264262 0.249454 0.226787  0.0335288   0.0417424   0.0345976   111 TYR   A HE2  
3375 H HH   . TYR   B 99  ? 0.30713  0.30713  0.30713   0           0           0           111 TYR   A HH   
3376 N N    . ALA   B 100 ? 0.211309 0.204683 0.173529  0.00376579  0.0270039   -0.00170135 112 ALA   A N    
3377 C CA   . ALA   B 100 ? 0.229937 0.203512 0.154623  0.0043319   0.0238456   -0.0101048  112 ALA   A CA   
3378 C C    . ALA   B 100 ? 0.220037 0.204944 0.14809   -0.00500085 0.0380556   0.0078361   112 ALA   A C    
3379 O O    . ALA   B 100 ? 0.228843 0.257232 0.163241  0.00678575  0.0438369   -0.0108439  112 ALA   A O    
3380 C CB   . ALA   B 100 ? 0.251807 0.204978 0.133579  0.0143421   0.0171383   0.00944629  112 ALA   A CB   
3381 H H    . ALA   B 100 ? 0.211408 0.206825 0.167083  0.00712143  0.0326147   -0.00379825 112 ALA   A H    
3382 H HA   . ALA   B 100 ? 0.227753 0.204517 0.154517  0.00470219  0.0254377   -0.00137855 112 ALA   A HA   
3383 H HB1  . ALA   B 100 ? 0.244108 0.203969 0.140959  0.0115089   0.0181889   0.0037443   112 ALA   A HB1  
3384 H HB2  . ALA   B 100 ? 0.245759 0.205397 0.14167   0.0126571   0.0184034   0.00368399  112 ALA   A HB2  
3385 H HB3  . ALA   B 100 ? 0.2441   0.201451 0.139669  0.0121966   0.0179959   0.00635995  112 ALA   A HB3  
3386 N N    . TYR   B 101 ? 0.210163 0.239764 0.141517  -0.0140337  0.0468717   -0.0244446  113 TYR   A N    
3387 C CA   . TYR   B 101 ? 0.228375 0.233892 0.127152  -0.0158664  0.0428473   -0.00722609 113 TYR   A CA   
3388 C C    . TYR   B 101 ? 0.238857 0.245647 0.166487  -0.0357934  0.0465266   -0.0151711  113 TYR   A C    
3389 O O    . TYR   B 101 ? 0.278063 0.288587 0.172767  -0.0562805  0.0385739   -0.0215357  113 TYR   A O    
3390 C CB   . TYR   B 101 ? 0.230321 0.250609 0.148145  -0.0136305  0.0210311   -0.0107262  113 TYR   A CB   
3391 C CG   . TYR   B 101 ? 0.240069 0.22204  0.121889  -0.00966537 0.0141742   -0.00115385 113 TYR   A CG   
3392 C CD1  . TYR   B 101 ? 0.251115 0.24077  0.105461  -0.00106999 0.0302946   -0.0155832  113 TYR   A CD1  
3393 C CD2  . TYR   B 101 ? 0.221274 0.222291 0.144035  0.0221364   0.0203897   -0.00707594 113 TYR   A CD2  
3394 C CE1  . TYR   B 101 ? 0.231624 0.214232 0.130357  0.00760282  0.0455415   -0.0234186  113 TYR   A CE1  
3395 C CE2  . TYR   B 101 ? 0.213077 0.208654 0.151975  0.0206819   0.0181717   -0.0240617  113 TYR   A CE2  
3396 C CZ   . TYR   B 101 ? 0.202061 0.199722 0.146866  0.0221599   0.0123141   -0.0168561  113 TYR   A CZ   
3397 O OH   . TYR   B 101 ? 0.225905 0.200828 0.159499  -0.0060594  0.0235978   0.00431232  113 TYR   A OH   
3398 H H    . TYR   B 101 ? 0.212951 0.228633 0.139424  -0.0100168  0.0451833   -0.0130334  113 TYR   A H    
3399 H HA   . TYR   B 101 ? 0.22505  0.238884 0.142318  -0.0169203  0.0405095   -0.0120726  113 TYR   A HA   
3400 H HB2  . TYR   B 101 ? 0.233402 0.239419 0.140696  -0.0130215  0.0233313   -0.00666919 113 TYR   A HB2  
3401 H HB3  . TYR   B 101 ? 0.232548 0.239665 0.143694  -0.0126623  0.024618    -0.00622657 113 TYR   A HB3  
3402 H HD1  . TYR   B 101 ? 0.242434 0.228576 0.118724  6.398e-05   0.0294408   -0.0138377  113 TYR   A HD1  
3403 H HD2  . TYR   B 101 ? 0.222551 0.218569 0.141962  0.0139214   0.0188145   -0.00944686 113 TYR   A HD2  
3404 H HE1  . TYR   B 101 ? 0.223737 0.216388 0.127988  0.00917117  0.0365474   -0.0189263  113 TYR   A HE1  
3405 H HE2  . TYR   B 101 ? 0.212538 0.208192 0.148247  0.0202604   0.0173417   -0.0196384  113 TYR   A HE2  
3406 H HH   . TYR   B 101 ? 0.199603 0.199603 0.199603  0           0           0           113 TYR   A HH   
3407 N N    . GLY   B 102 ? 0.271626 0.237971 0.171362  -0.0373012  0.0489714   -0.0106243  114 GLY   A N    
3408 C CA   . GLY   B 102 ? 0.283151 0.28236  0.181737  -0.0505449  0.0400594   -0.0118417  114 GLY   A CA   
3409 C C    . GLY   B 102 ? 0.298797 0.264044 0.180526  -0.0578873  0.0165981   -0.0169558  114 GLY   A C    
3410 O O    . GLY   B 102 ? 0.299887 0.282298 0.193152  -0.0694319  0.0238357   -0.0195823  114 GLY   A O    
3411 H H    . GLY   B 102 ? 0.263295 0.247978 0.172818  -0.037832   0.0450576   -0.0120498  114 GLY   A H    
3412 H HA2  . GLY   B 102 ? 0.283226 0.266848 0.183659  -0.0472243  0.036038    -0.0125457  114 GLY   A HA2  
3413 H HA3  . GLY   B 102 ? 0.283875 0.26726  0.1827    -0.0478653  0.035183    -0.0114028  114 GLY   A HA3  
3414 N N    . SER   B 103 ? 0.311491 0.268269 0.246333  -0.0448589  0.0116804   -0.0149789  115 SER   A N    
3415 C CA   . SER   B 103 ? 0.336734 0.307123 0.247058  -0.0664639  0.00744898  0.0051629   115 SER   A CA   
3416 C C    . SER   B 103 ? 0.312591 0.318146 0.211129  -0.0559838  0.00543057  -0.0109849  115 SER   A C    
3417 O O    . SER   B 103 ? 0.311229 0.396115 0.226468  -0.0586073  -0.00910847 -0.0380739  115 SER   A O    
3418 C CB   . SER   B 103 ? 0.396622 0.312423 0.295191  -0.0703793  0.00193685  0.00605422  115 SER   A CB   
3419 O OG   . SER   B 103 ? 0.481709 0.308388 0.373407  -0.0344605  0.00640617  0.00834528  115 SER   A OG   
3420 H H    . SER   B 103 ? 0.309499 0.271435 0.228929  -0.0483037  0.0118462   -0.0106045  115 SER   A H    
3421 H HA   . SER   B 103 ? 0.336727 0.303662 0.248651  -0.0610207  0.00580452  -0.00088254 115 SER   A HA   
3422 H HB2  . SER   B 103 ? 0.39177  0.310974 0.296087  -0.0602129  0.00392134  0.00625811  115 SER   A HB2  
3423 H HB3  . SER   B 103 ? 0.392858 0.311171 0.296431  -0.060488   0.00454058  0.006379    115 SER   A HB3  
3424 H HG   . SER   B 103 ? 0.387933 0.387933 0.387933  0           0           0           115 SER   A HG   
3425 N N    . ALA   B 104 ? 0.340542 0.282199 0.22961   -0.0448122  0.0268627   -0.0347534  116 ALA   A N    
3426 C CA   . ALA   B 104 ? 0.370436 0.292735 0.212721  -0.0558307  0.0240665   -0.0176914  116 ALA   A CA   
3427 C C    . ALA   B 104 ? 0.297118 0.281692 0.169494  -0.0413533  0.0130972   -0.0230906  116 ALA   A C    
3428 O O    . ALA   B 104 ? 0.347444 0.327663 0.176295  -0.0429149  0.00042199  0.00762873  116 ALA   A O    
3429 C CB   . ALA   B 104 ? 0.402747 0.302983 0.266831  -0.0275233  0.0477402   -0.0146387  116 ALA   A CB   
3430 H H    . ALA   B 104 ? 0.339665 0.293468 0.224111  -0.0487345  0.021071    -0.024301   116 ALA   A H    
3431 H HA   . ALA   B 104 ? 0.351445 0.290896 0.216519  -0.0437502  0.0262345   -0.0203512  116 ALA   A HA   
3432 H HB1  . ALA   B 104 ? 0.391747 0.301701 0.253592  -0.0342452  0.0404213   -0.0150863  116 ALA   A HB1  
3433 H HB2  . ALA   B 104 ? 0.397003 0.30251  0.255808  -0.0315684  0.0438378   -0.0134315  116 ALA   A HB2  
3434 H HB3  . ALA   B 104 ? 0.391785 0.302382 0.259387  -0.0343183  0.0406747   -0.0174719  116 ALA   A HB3  
3435 N N    . GLY   B 105 ? 0.28101  0.258553 0.169329  -0.047545   0.0114298   0.00449727  117 GLY   A N    
3436 C CA   . GLY   B 105 ? 0.244088 0.274141 0.169973  -0.0219233  0.0387328   -0.00941545 117 GLY   A CA   
3437 C C    . GLY   B 105 ? 0.232799 0.255033 0.166359  0.00480824  0.0300824   -0.0172311  117 GLY   A C    
3438 O O    . GLY   B 105 ? 0.256069 0.266084 0.189286  0.0123745   0.039299    0.00505797  117 GLY   A O    
3439 H H    . GLY   B 105 ? 0.275306 0.265247 0.168525  -0.0375876  0.0157098   -0.0023769  117 GLY   A H    
3440 H HA2  . GLY   B 105 ? 0.249956 0.265425 0.172991  -0.0208411  0.0298393   -0.00718223 117 GLY   A HA2  
3441 H HA3  . GLY   B 105 ? 0.249881 0.265376 0.171314  -0.0206809  0.0293057   -0.007512   117 GLY   A HA3  
3442 N N    . SER   B 106 ? 0.256727 0.247619 0.144574  0.00691071  0.029669    -0.00368769 118 SER   A N    
3443 C CA   . SER   B 106 ? 0.269806 0.250107 0.146399  0.0198494   0.0448751   -0.00909546 118 SER   A CA   
3444 C C    . SER   B 106 ? 0.261831 0.247296 0.140231  -0.00429639 0.0306477   0.0184961   118 SER   A C    
3445 O O    . SER   B 106 ? 0.234133 0.246989 0.147784  0.00687179  0.0172207   0.0119861   118 SER   A O    
3446 C CB   . SER   B 106 ? 0.242862 0.23349  0.187992  0.0302407   0.0571784   0.0138082   118 SER   A CB   
3447 O OG   . SER   B 106 ? 0.228157 0.262571 0.202462  0.0339839   0.0360381   0.0231201   118 SER   A OG   
3448 H H    . SER   B 106 ? 0.254402 0.250608 0.153604  0.00772577  0.0312444   -0.00639109 118 SER   A H    
3449 H HA   . SER   B 106 ? 0.259027 0.242088 0.150045  0.0162689   0.0423985   -0.00270895 118 SER   A HA   
3450 H HB2  . SER   B 106 ? 0.245219 0.242831 0.181774  0.0283772   0.0478577   0.0106753   118 SER   A HB2  
3451 H HB3  . SER   B 106 ? 0.245184 0.241883 0.181057  0.0285199   0.0484135   0.0093121   118 SER   A HB3  
3452 H HG   . SER   B 106 ? 0.234432 0.234432 0.234432  0           0           0           118 SER   A HG   
3453 N N    . LEU   B 107 ? 0.260101 0.266132 0.17488   0.00275777  0.0254342   -0.00917934 119 LEU   A N    
3454 C CA   . LEU   B 107 ? 0.263954 0.329405 0.146758  0.00104045  0.0149013   0.00922199  119 LEU   A CA   
3455 C C    . LEU   B 107 ? 0.223959 0.296863 0.117771  0.00129796  0.0066815   0.00128815  119 LEU   A C    
3456 O O    . LEU   B 107 ? 0.267403 0.308005 0.167904  -0.018779   0.0389855   0.00330948  119 LEU   A O    
3457 C CB   . LEU   B 107 ? 0.266352 0.396098 0.182831  -0.033514   0.00375303  -0.00418345 119 LEU   A CB   
3458 C CG   . LEU   B 107 ? 0.234415 0.422247 0.20456   -0.0541035  0.00504841  -0.0138102  119 LEU   A CG   
3459 C CD1  . LEU   B 107 ? 0.360804 0.500411 0.274425  -0.0904621  0.0128106   0.00248875  119 LEU   A CD1  
3460 C CD2  . LEU   B 107 ? 0.253943 0.474667 0.243787  -0.0136604  0.0150766   0.00429015  119 LEU   A CD2  
3461 H H    . LEU   B 107 ? 0.260884 0.267488 0.1623    0.00099997  0.0241918   0.00028419  119 LEU   A H    
3462 H HA   . LEU   B 107 ? 0.255117 0.319385 0.15716   -0.00336434 0.0128631   0.00371952  119 LEU   A HA   
3463 H HB2  . LEU   B 107 ? 0.261668 0.385785 0.184497  -0.0294557  0.00694525  -0.00015832 119 LEU   A HB2  
3464 H HB3  . LEU   B 107 ? 0.261687 0.384275 0.184415  -0.0284948  0.00896002  -0.00265675 119 LEU   A HB3  
3465 H HG   . LEU   B 107 ? 0.25871  0.43126  0.213298  -0.0444221  0.00383387  -0.00323417 119 LEU   A HG   
3466 H HD11 . LEU   B 107 ? 0.324436 0.478922 0.257853  -0.0839357  0.00694089  0.00067471  119 LEU   A HD11 
3467 H HD12 . LEU   B 107 ? 0.321524 0.472122 0.26367   -0.0748591  0.00585089  -0.00613591 119 LEU   A HD12 
3468 H HD13 . LEU   B 107 ? 0.324879 0.472042 0.265884  -0.0796024  0.0181163   -0.00652868 119 LEU   A HD13 
3469 H HD21 . LEU   B 107 ? 0.25543  0.458187 0.234801  -0.0181268  0.0148546   0.00251212  119 LEU   A HD21 
3470 H HD22 . LEU   B 107 ? 0.253015 0.453673 0.236072  -0.0235279  0.0140038   -0.00076656 119 LEU   A HD22 
3471 H HD23 . LEU   B 107 ? 0.253782 0.454053 0.238207  -0.0218716  0.0107334   -0.00161002 119 LEU   A HD23 
3472 N N    . PRO   B 108 ? 0.26636  0.320796 0.135217  0.0270042   -0.00623182 0.0103797   120 PRO   A N    
3473 C CA   . PRO   B 108 ? 0.270206 0.357536 0.160979  0.0300801   -0.00789661 0.0238276   120 PRO   A CA   
3474 C C    . PRO   B 108 ? 0.25047  0.319656 0.175042  0.0439566   -0.0104816  0.0210361   120 PRO   A C    
3475 O O    . PRO   B 108 ? 0.297892 0.369733 0.194027  0.0628861   0.0183642   0.0372812   120 PRO   A O    
3476 C CB   . PRO   B 108 ? 0.304803 0.425144 0.21225   0.0367119   0.00122197  0.0616221   120 PRO   A CB   
3477 C CG   . PRO   B 108 ? 0.332614 0.405137 0.218148  0.0593493   0.0149576   0.0796619   120 PRO   A CG   
3478 C CD   . PRO   B 108 ? 0.302311 0.38222  0.129219  0.0313333   -0.00526983 0.0362168   120 PRO   A CD   
3479 H HA   . PRO   B 108 ? 0.269958 0.348994 0.167557  0.0318595   -0.00558015 0.0250839   120 PRO   A HA   
3480 H HB2  . PRO   B 108 ? 0.30272  0.405638 0.205057  0.0359459   0.00016693  0.0593012   120 PRO   A HB2  
3481 H HB3  . PRO   B 108 ? 0.303507 0.401372 0.203804  0.0401567   0.00355248  0.0567031   120 PRO   A HB3  
3482 H HG2  . PRO   B 108 ? 0.320164 0.407953 0.198126  0.049693    0.00940407  0.0656382   120 PRO   A HG2  
3483 H HG3  . PRO   B 108 ? 0.320017 0.402985 0.206523  0.0456563   0.0115628   0.0607681   120 PRO   A HG3  
3484 H HD2  . PRO   B 108 ? 0.297664 0.36458  0.148965  0.0356015   -0.00108781 0.0367198   120 PRO   A HD2  
3485 H HD3  . PRO   B 108 ? 0.296115 0.362653 0.145581  0.0347457   -0.00194915 0.0342647   120 PRO   A HD3  
3486 N N    . LYS   B 109 ? 0.300958 0.294036 0.132607  0.0302428   -0.0159296  0.0178627   121 LYS   A N    
3487 C CA   . LYS   B 109 ? 0.309908 0.261214 0.1538    0.0226098   0.00017134  -0.00760517 121 LYS   A CA   
3488 C C    . LYS   B 109 ? 0.315918 0.281833 0.169941  0.0358541   0.0109875   0.00362468  121 LYS   A C    
3489 O O    . LYS   B 109 ? 0.397826 0.302484 0.154042  0.0531521   0.0210315   0.00220836  121 LYS   A O    
3490 C CB   . LYS   B 109 ? 0.322963 0.279948 0.132262  0.0201068   -0.00518802 0.018915    121 LYS   A CB   
3491 C CG   . LYS   B 109 ? 0.379376 0.313803 0.177129  0.00890133  -0.0349163  0.0245035   121 LYS   A CG   
3492 C CD   . LYS   B 109 ? 0.382697 0.372368 0.248273  0.00992669  -0.0612809  0.0404538   121 LYS   A CD   
3493 C CE   . LYS   B 109 ? 0.425355 0.385564 0.301021  -0.0132805  -0.0628472  0.0564757   121 LYS   A CE   
3494 N NZ   . LYS   B 109 ? 0.437312 0.363063 0.344619  -0.0598949  -0.111498   0.0585638   121 LYS   A NZ   
3495 H H    . LYS   B 109 ? 0.292657 0.292105 0.151453  0.0297335   -0.0120264  0.0138547   121 LYS   A H    
3496 H HA   . LYS   B 109 ? 0.308888 0.272216 0.151688  0.0272751   -0.00162919 0.00490212  121 LYS   A HA   
3497 H HB2  . LYS   B 109 ? 0.32873  0.278601 0.14154   0.0171469   -0.0070558  0.019977    121 LYS   A HB2  
3498 H HB3  . LYS   B 109 ? 0.327833 0.278984 0.148102  0.019386    -0.00857355 0.0150675   121 LYS   A HB3  
3499 H HG2  . LYS   B 109 ? 0.362692 0.314993 0.182384  0.0121255   -0.0302079  0.0255276   121 LYS   A HG2  
3500 H HG3  . LYS   B 109 ? 0.36364  0.317075 0.182345  0.0106595   -0.0308369  0.0257282   121 LYS   A HG3  
3501 H HD2  . LYS   B 109 ? 0.388952 0.35977  0.242212  0.0042524   -0.0523904  0.0388911   121 LYS   A HD2  
3502 H HD3  . LYS   B 109 ? 0.388078 0.359564 0.244706  0.00596421  -0.0513042  0.0407327   121 LYS   A HD3  
3503 H HE2  . LYS   B 109 ? 0.415545 0.377602 0.302276  -0.0157098  -0.0684866  0.0548903   121 LYS   A HE2  
3504 H HE3  . LYS   B 109 ? 0.420668 0.376901 0.300587  -0.0166431  -0.0702205  0.052323    121 LYS   A HE3  
3505 H HZ1  . LYS   B 109 ? 0.430136 0.369291 0.332277  -0.0426712  -0.0927763  0.054974    121 LYS   A HZ1  
3506 H HZ2  . LYS   B 109 ? 0.431805 0.369637 0.333793  -0.0433243  -0.0935042  0.0548279   121 LYS   A HZ2  
3507 H HZ3  . LYS   B 109 ? 0.432975 0.370849 0.338443  -0.0421965  -0.0954311  0.0533271   121 LYS   A HZ3  
3508 N N    . ILE   B 110 ? 0.284959 0.278071 0.128801  0.0221852   0.0174696   -0.0129514  122 ILE   A N    
3509 C CA   . ILE   B 110 ? 0.27011  0.260239 0.128189  0.0398861   0.0181391   0.00679207  122 ILE   A CA   
3510 C C    . ILE   B 110 ? 0.227422 0.303163 0.155284  0.0198496   0.0091435   0.0140582   122 ILE   A C    
3511 O O    . ILE   B 110 ? 0.244013 0.306898 0.164633  0.00612856  0.00516349  -0.013824   122 ILE   A O    
3512 C CB   . ILE   B 110 ? 0.262808 0.292908 0.148956  -0.00119561 0.0311962   0.044545    122 ILE   A CB   
3513 C CG1  . ILE   B 110 ? 0.350409 0.344358 0.236269  -0.045119   0.0180372   0.0599672   122 ILE   A CG1  
3514 C CG2  . ILE   B 110 ? 0.253819 0.281398 0.15274   0.0149555   -0.00186227 0.0363709   122 ILE   A CG2  
3515 C CD1  . ILE   B 110 ? 0.363811 0.355126 0.300469  -0.0244853  0.0225451   0.0481875   122 ILE   A CD1  
3516 H H    . ILE   B 110 ? 0.285319 0.271679 0.135661  0.030326    0.0185726   -0.00697227 122 ILE   A H    
3517 H HA   . ILE   B 110 ? 0.261613 0.273028 0.134245  0.0283776   0.0223393   0.0049782   122 ILE   A HA   
3518 H HB   . ILE   B 110 ? 0.272832 0.289558 0.159701  0.00381955  0.019449    0.0365195   122 ILE   A HB   
3519 H HG12 . ILE   B 110 ? 0.326465 0.330436 0.226717  -0.0274466  0.022568    0.0479446   122 ILE   A HG12 
3520 H HG13 . ILE   B 110 ? 0.338073 0.333235 0.223701  -0.0338245  0.0221838   0.0510476   122 ILE   A HG13 
3521 H HG21 . ILE   B 110 ? 0.250943 0.28274  0.153799  0.011655    0.00600796  0.038276    122 ILE   A HG21 
3522 H HG22 . ILE   B 110 ? 0.25479  0.283004 0.15462   0.0105854   0.00758024  0.0376166   122 ILE   A HG22 
3523 H HG23 . ILE   B 110 ? 0.254488 0.28337  0.15427   0.0104854   0.0073402   0.0375967   122 ILE   A HG23 
3524 H HD11 . ILE   B 110 ? 0.358222 0.353289 0.289786  -0.0292918  0.0215593   0.0447769   122 ILE   A HD11 
3525 H HD12 . ILE   B 110 ? 0.360939 0.35353  0.282391  -0.0259484  0.0195945   0.0477968   122 ILE   A HD12 
3526 H HD13 . ILE   B 110 ? 0.358637 0.351858 0.282854  -0.0288337  0.0205041   0.0488631   122 ILE   A HD13 
3527 N N    . PRO   B 111 ? 0.253968 0.340506 0.121038  0.0302683   0.0059379   0.00390083  123 PRO   A N    
3528 C CA   . PRO   B 111 ? 0.255125 0.378259 0.199834  -0.0116377  0.019285    -0.00451847 123 PRO   A CA   
3529 C C    . PRO   B 111 ? 0.250548 0.351641 0.129146  -0.0377393  0.0168081   0.0148421   123 PRO   A C    
3530 O O    . PRO   B 111 ? 0.270545 0.379979 0.125069  -0.0211032  -0.00878999 -0.00068248 123 PRO   A O    
3531 C CB   . PRO   B 111 ? 0.265944 0.424159 0.270177  -0.024733   0.031734    0.00136102  123 PRO   A CB   
3532 C CG   . PRO   B 111 ? 0.28243  0.461476 0.27635   -0.00310536 0.042162    -0.0312554  123 PRO   A CG   
3533 C CD   . PRO   B 111 ? 0.268122 0.366844 0.181858  -0.0062628  0.0275996   -0.0254359  123 PRO   A CD   
3534 H HA   . PRO   B 111 ? 0.256823 0.368057 0.191926  -0.00870783 0.0200234   0.00413769  123 PRO   A HA   
3535 H HB2  . PRO   B 111 ? 0.268683 0.415221 0.253272  -0.0163495  0.0304678   -0.00582168 123 PRO   A HB2  
3536 H HB3  . PRO   B 111 ? 0.270834 0.416741 0.256081  -0.0165192  0.0323632   -0.00691671 123 PRO   A HB3  
3537 H HG2  . PRO   B 111 ? 0.278384 0.425914 0.269787  -0.00917527 0.0371118   -0.0257412  123 PRO   A HG2  
3538 H HG3  . PRO   B 111 ? 0.281217 0.427057 0.254085  -0.0120872  0.0359172   -0.021945   123 PRO   A HG3  
3539 H HD2  . PRO   B 111 ? 0.267446 0.370983 0.183631  0.00470358  0.0246231   -0.0173722  123 PRO   A HD2  
3540 H HD3  . PRO   B 111 ? 0.267183 0.371912 0.183037  0.00448952  0.024357    -0.0178526  123 PRO   A HD3  
3541 N N    . SER   B 112 ? 0.265918 0.346428 0.162149  -0.0532519  -0.0310613  0.02538     124 SER   A N    
3542 C CA   . SER   B 112 ? 0.319884 0.366599 0.143871  -0.0527444  -0.0428872  0.00203626  124 SER   A CA   
3543 C C    . SER   B 112 ? 0.273976 0.322342 0.161713  -0.068896   0.0102135   -0.00937104 124 SER   A C    
3544 O O    . SER   B 112 ? 0.304958 0.356677 0.197724  -0.0769909  0.0234882   0.0108605   124 SER   A O    
3545 C CB   . SER   B 112 ? 0.450411 0.443742 0.139652  -0.0743383  -0.0802582  -0.045232   124 SER   A CB   
3546 O OG   . SER   B 112 ? 0.504136 0.521434 0.268067  -0.0777491  -0.0475116  -0.0176458  124 SER   A OG   
3547 H H    . SER   B 112 ? 0.270634 0.350631 0.150978  -0.0465107  -0.0239223  0.0176766   124 SER   A H    
3548 H HA   . SER   B 112 ? 0.318644 0.362894 0.155167  -0.057013   -0.0330058  -0.00156615 124 SER   A HA   
3549 H HB2  . SER   B 112 ? 0.430942 0.435021 0.16774   -0.0700784  -0.0615497  -0.0257049  124 SER   A HB2  
3550 H HB3  . SER   B 112 ? 0.421688 0.438039 0.169674  -0.0674494  -0.0602333  -0.0287798  124 SER   A HB3  
3551 H HG   . SER   B 112 ? 0.435428 0.435428 0.435428  0           0           0           124 SER   A HG   
3552 N N    . ASN   B 113 ? 0.290148 0.345009 0.164506  -0.0304081  0.0319362   -0.00494168 125 ASN   A N    
3553 C CA   . ASN   B 113 ? 0.279979 0.314188 0.187704  -0.0650455  0.050876    0.0213941   125 ASN   A CA   
3554 C C    . ASN   B 113 ? 0.24794  0.294498 0.158989  -0.0302854  0.0233124   0.0353791   125 ASN   A C    
3555 O O    . ASN   B 113 ? 0.283716 0.341625 0.21165   -0.020945   0.0715083   0.0354178   125 ASN   A O    
3556 C CB   . ASN   B 113 ? 0.277291 0.37027  0.198735  -0.0815047  0.0374149   0.0302038   125 ASN   A CB   
3557 C CG   . ASN   B 113 ? 0.354095 0.354307 0.21559   -0.116796   0.0172497   0.00429484  125 ASN   A CG   
3558 O OD1  . ASN   B 113 ? 0.466035 0.484176 0.194643  -0.185716   0.0464019   1.801e-05   125 ASN   A OD1  
3559 N ND2  . ASN   B 113 ? 0.38983  0.363847 0.193037  -0.119805   0.0906406   -0.00917868 125 ASN   A ND2  
3560 H H    . ASN   B 113 ? 0.280589 0.33032  0.170269  -0.0443189  0.0314875   -0.00069522 125 ASN   A H    
3561 H HA   . ASN   B 113 ? 0.279956 0.325709 0.183155  -0.0552048  0.0401996   0.0196873   125 ASN   A HA   
3562 H HB2  . ASN   B 113 ? 0.290256 0.350049 0.201254  -0.0796815  0.0340199   0.0230271   125 ASN   A HB2  
3563 H HB3  . ASN   B 113 ? 0.293711 0.350924 0.199945  -0.0813043  0.0360332   0.0230734   125 ASN   A HB3  
3564 H HD21 . ASN   B 113 ? 0.376702 0.355816 0.206393  -0.111989   0.0657265   -0.0050276  125 ASN   A HD21 
3565 H HD22 . ASN   B 113 ? 0.378396 0.3598   0.209338  -0.109955   0.0698041   -0.00092103 125 ASN   A HD22 
3566 N N    . ALA   B 114 ? 0.231238 0.292741 0.146803  -0.0302589  0.0302717   0.0175549   126 ALA   A N    
3567 C CA   . ALA   B 114 ? 0.240894 0.292035 0.152176  0.00157931  0.0274877   0.0361719   126 ALA   A CA   
3568 C C    . ALA   B 114 ? 0.219394 0.27634  0.162712  0.018617    0.0259463   0.0174682   126 ALA   A C    
3569 O O    . ALA   B 114 ? 0.212758 0.288932 0.157564  0.00809379  0.0290732   -0.0122085  126 ALA   A O    
3570 C CB   . ALA   B 114 ? 0.242371 0.306615 0.165292  0.0214147   0.00357167  0.0432397   126 ALA   A CB   
3571 H H    . ALA   B 114 ? 0.235089 0.291816 0.150283  -0.0214465  0.0305085   0.0246975   126 ALA   A H    
3572 H HA   . ALA   B 114 ? 0.236768 0.290374 0.157954  0.00225203  0.0228576   0.0295724   126 ALA   A HA   
3573 H HB1  . ALA   B 114 ? 0.240792 0.300647 0.162022  0.0152321   0.00864797  0.040718    126 ALA   A HB1  
3574 H HB2  . ALA   B 114 ? 0.243661 0.300755 0.163904  0.0148269   0.00972949  0.0407274   126 ALA   A HB2  
3575 H HB3  . ALA   B 114 ? 0.242203 0.302099 0.164161  0.0151685   0.0103006   0.0414418   126 ALA   A HB3  
3576 N N    . THR   B 115 ? 0.210755 0.28053  0.150614  0.0549534   0.032187    0.00326478  127 THR   A N    
3577 C CA   . THR   B 115 ? 0.223441 0.300681 0.143223  0.0393288   0.0413359   -0.0063445  127 THR   A CA   
3578 C C    . THR   B 115 ? 0.235338 0.266448 0.123764  0.0587779   0.0308545   -0.0250542  127 THR   A C    
3579 O O    . THR   B 115 ? 0.264667 0.282251 0.179883  0.0599614   0.0407309   0.00314577  127 THR   A O    
3580 C CB   . THR   B 115 ? 0.216835 0.29425  0.144312  0.0516131   0.0447393   0.015612    127 THR   A CB   
3581 O OG1  . THR   B 115 ? 0.30616  0.350052 0.172187  0.0026288   0.0411399   0.0583227   127 THR   A OG1  
3582 C CG2  . THR   B 115 ? 0.246255 0.314193 0.143962  0.0424525   0.0439774   0.0236396   127 THR   A CG2  
3583 H H    . THR   B 115 ? 0.209576 0.282284 0.153963  0.0430937   0.0324339   0.00524472  127 THR   A H    
3584 H HA   . THR   B 115 ? 0.227657 0.28973  0.143675  0.0431899   0.0369643   -0.00355835 127 THR   A HA   
3585 H HB   . THR   B 115 ? 0.224058 0.300246 0.150348  0.0462892   0.0413765   0.0202913   127 THR   A HB   
3586 H HG1  . THR   B 115 ? 0.28142  0.28142  0.28142   0           0           0           127 THR   A HG1  
3587 H HG21 . THR   B 115 ? 0.238236 0.306747 0.148048  0.0437199   0.0433194   0.0208391   127 THR   A HG21 
3588 H HG22 . THR   B 115 ? 0.241813 0.307834 0.147649  0.04167     0.0435851   0.0205643   127 THR   A HG22 
3589 H HG23 . THR   B 115 ? 0.238411 0.307761 0.147453  0.0440921   0.0432011   0.0204797   127 THR   A HG23 
3590 N N    . LEU   B 116 ? 0.231765 0.244466 0.133894  0.0653374   0.0125734   -0.0136244  128 LEU   A N    
3591 C CA   . LEU   B 116 ? 0.242081 0.256393 0.126249  0.0570663   0.00964831  -0.0303176  128 LEU   A CA   
3592 C C    . LEU   B 116 ? 0.231333 0.243045 0.124062  0.0694028   0.0107227   -0.018679   128 LEU   A C    
3593 O O    . LEU   B 116 ? 0.269299 0.244918 0.143993  0.0639153   0.0150597   0.00421489  128 LEU   A O    
3594 C CB   . LEU   B 116 ? 0.241617 0.254001 0.125535  0.0434326   0.0127793   -0.0405011  128 LEU   A CB   
3595 C CG   . LEU   B 116 ? 0.260703 0.365898 0.150747  0.0287816   0.0280394   -0.0301857  128 LEU   A CG   
3596 C CD1  . LEU   B 116 ? 0.262571 0.398649 0.188044  0.00703191  0.0495887   -0.0239302  128 LEU   A CD1  
3597 C CD2  . LEU   B 116 ? 0.274554 0.390656 0.137454  -0.0157624  0.0241315   -0.0474582  128 LEU   A CD2  
3598 H H    . LEU   B 116 ? 0.231894 0.246638 0.131277  0.063486    0.0147954   -0.0166504  128 LEU   A H    
3599 H HA   . LEU   B 116 ? 0.239643 0.251921 0.130584  0.0558679   0.0117653   -0.0261001  128 LEU   A HA   
3600 H HB2  . LEU   B 116 ? 0.242132 0.264878 0.132455  0.0451912   0.0141828   -0.0339946  128 LEU   A HB2  
3601 H HB3  . LEU   B 116 ? 0.24086  0.266914 0.132393  0.0404731   0.013736    -0.0354698  128 LEU   A HB3  
3602 H HG   . LEU   B 116 ? 0.260009 0.347966 0.151199  0.0189776   0.0275979   -0.0333208  128 LEU   A HG   
3603 H HD11 . LEU   B 116 ? 0.261905 0.383349 0.180255  0.0147948   0.0424038   -0.0246966  128 LEU   A HD11 
3604 H HD12 . LEU   B 116 ? 0.26345  0.385794 0.187791  0.0136431   0.0429645   -0.025526   128 LEU   A HD12 
3605 H HD13 . LEU   B 116 ? 0.263966 0.389819 0.181511  0.012173    0.0426557   -0.0255124  128 LEU   A HD13 
3606 H HD21 . LEU   B 116 ? 0.269462 0.377681 0.145565  -0.00430966 0.0245237   -0.0410069  128 LEU   A HD21 
3607 H HD22 . LEU   B 116 ? 0.27248  0.38508  0.145841  -0.00492901 0.0256388   -0.0408216  128 LEU   A HD22 
3608 H HD23 . LEU   B 116 ? 0.270206 0.379057 0.143701  -0.00194423 0.0243487   -0.039398   128 LEU   A HD23 
3609 N N    . PHE   B 117 ? 0.278237 0.247368 0.145599  0.0819568   -0.0176067  -0.0124357  129 PHE   A N    
3610 C CA   . PHE   B 117 ? 0.287941 0.228102 0.162265  0.112       -0.022647   -0.0182807  129 PHE   A CA   
3611 C C    . PHE   B 117 ? 0.267215 0.253915 0.170871  0.112695    -0.0116678  -0.0244307  129 PHE   A C    
3612 O O    . PHE   B 117 ? 0.304045 0.291308 0.160471  0.114821    -0.0240935  -0.00216009 129 PHE   A O    
3613 C CB   . PHE   B 117 ? 0.275214 0.231903 0.179736  0.0956569   -0.00837795 -0.0312581  129 PHE   A CB   
3614 C CG   . PHE   B 117 ? 0.276476 0.250195 0.17925   0.107132    -0.015133   -0.0368465  129 PHE   A CG   
3615 C CD1  . PHE   B 117 ? 0.336799 0.242018 0.172362  0.0829593   -0.0198662  -0.0348372  129 PHE   A CD1  
3616 C CD2  . PHE   B 117 ? 0.290304 0.26043  0.225833  0.0995724   -0.0222795  -0.059298   129 PHE   A CD2  
3617 C CE1  . PHE   B 117 ? 0.307394 0.300202 0.188935  0.0983399   -0.022002   -0.0550363  129 PHE   A CE1  
3618 C CE2  . PHE   B 117 ? 0.295743 0.267004 0.239856  0.0950299   -0.0317848  -0.0706533  129 PHE   A CE2  
3619 C CZ   . PHE   B 117 ? 0.335021 0.29612  0.203885  0.0839389   -0.0150003  -0.108694   129 PHE   A CZ   
3620 H H    . PHE   B 117 ? 0.266024 0.241849 0.145256  0.0828818   -0.0107745  -0.0142186  129 PHE   A H    
3621 H HA   . PHE   B 117 ? 0.276616 0.233218 0.161707  0.103021    -0.018638   -0.0158155  129 PHE   A HA   
3622 H HB2  . PHE   B 117 ? 0.275778 0.233599 0.177182  0.0972138   -0.0113625  -0.0279077  129 PHE   A HB2  
3623 H HB3  . PHE   B 117 ? 0.277925 0.236164 0.179324  0.097292    -0.0107868  -0.0300182  129 PHE   A HB3  
3624 H HD1  . PHE   B 117 ? 0.313033 0.248432 0.180438  0.0877473   -0.0178547  -0.0372485  129 PHE   A HD1  
3625 H HD2  . PHE   B 117 ? 0.287939 0.260291 0.222937  0.0971557   -0.0211226  -0.0565713  129 PHE   A HD2  
3626 H HE1  . PHE   B 117 ? 0.319046 0.283603 0.189527  0.0893209   -0.0195599  -0.0588961  129 PHE   A HE1  
3627 H HE2  . PHE   B 117 ? 0.302414 0.269602 0.228312  0.0905451   -0.0246053  -0.0731668  129 PHE   A HE2  
3628 H HZ   . PHE   B 117 ? 0.315961 0.28386  0.203568  0.085174    -0.0239387  -0.088251   129 PHE   A HZ   
3629 N N    . PHE   B 118 ? 0.276321 0.258622 0.169123  0.123986    -0.0123706  -0.0432535  130 PHE   A N    
3630 C CA   . PHE   B 118 ? 0.27224  0.237811 0.173866  0.118665    -0.0353711  -0.0336178  130 PHE   A CA   
3631 C C    . PHE   B 118 ? 0.267642 0.254509 0.168366  0.13393     -0.0299118  -0.0328524  130 PHE   A C    
3632 O O    . PHE   B 118 ? 0.330645 0.265875 0.173803  0.144527    -0.0370962  -0.037769   130 PHE   A O    
3633 C CB   . PHE   B 118 ? 0.255448 0.240794 0.175122  0.102229    -0.0353492  -0.026703   130 PHE   A CB   
3634 C CG   . PHE   B 118 ? 0.221691 0.23116  0.162526  0.0727057   -0.0180754  -0.0335639  130 PHE   A CG   
3635 C CD1  . PHE   B 118 ? 0.237017 0.255075 0.151036  0.0553841   0.00616728  -0.0317951  130 PHE   A CD1  
3636 C CD2  . PHE   B 118 ? 0.239383 0.220208 0.183796  0.0786043   -0.0138702  -0.0313976  130 PHE   A CD2  
3637 C CE1  . PHE   B 118 ? 0.240658 0.239033 0.144492  0.0615124   0.00077609  -0.0301495  130 PHE   A CE1  
3638 C CE2  . PHE   B 118 ? 0.254499 0.213691 0.169619  0.062009    -0.0210218  -0.00481171 130 PHE   A CE2  
3639 C CZ   . PHE   B 118 ? 0.255713 0.242753 0.170272  0.0642599   -0.00075363 -0.0341456  130 PHE   A CZ   
3640 H H    . PHE   B 118 ? 0.272604 0.254404 0.175635  0.115992    -0.0161486  -0.0376801  130 PHE   A H    
3641 H HA   . PHE   B 118 ? 0.267662 0.243564 0.173062  0.116987    -0.0301509  -0.0309123  130 PHE   A HA   
3642 H HB2  . PHE   B 118 ? 0.249393 0.23638  0.172694  0.0963424   -0.030294   -0.0280122  130 PHE   A HB2  
3643 H HB3  . PHE   B 118 ? 0.250628 0.238336 0.173117  0.0970899   -0.0300874  -0.0288111  130 PHE   A HB3  
3644 H HD1  . PHE   B 118 ? 0.234256 0.24452  0.15489   0.0597391   -0.000536   -0.0301989  130 PHE   A HD1  
3645 H HD2  . PHE   B 118 ? 0.238205 0.222134 0.176062  0.0712907   -0.0157782  -0.0248988  130 PHE   A HD2  
3646 H HE1  . PHE   B 118 ? 0.242092 0.240588 0.153694  0.0588236   0.0012878   -0.0303634  130 PHE   A HE1  
3647 H HE2  . PHE   B 118 ? 0.2496   0.218914 0.168281  0.0635534   -0.0126129  -0.0130542  130 PHE   A HE2  
3648 H HZ   . PHE   B 118 ? 0.250743 0.234746 0.166879  0.0614929   -0.00497587 -0.0248544  130 PHE   A HZ   
3649 N N    . GLU   B 119 ? 0.272088 0.256169 0.199046  0.123836    -0.0496776  -0.052305   131 GLU   A N    
3650 C CA   . GLU   B 119 ? 0.26835  0.243421 0.196903  0.123078    -0.068629   -0.0474201  131 GLU   A CA   
3651 C C    . GLU   B 119 ? 0.283719 0.276164 0.222325  0.139994    -0.0387311  -0.0499335  131 GLU   A C    
3652 O O    . GLU   B 119 ? 0.28234  0.336652 0.225571  0.154376    -0.0398358  -0.0419854  131 GLU   A O    
3653 C CB   . GLU   B 119 ? 0.288411 0.253161 0.191675  0.132838    -0.0668031  -0.0477832  131 GLU   A CB   
3654 C CG   . GLU   B 119 ? 0.271929 0.26516  0.208712  0.135231    -0.0697823  -0.0660769  131 GLU   A CG   
3655 C CD   . GLU   B 119 ? 0.265605 0.24004  0.223238  0.102229    -0.0422622  -0.0515782  131 GLU   A CD   
3656 O OE1  . GLU   B 119 ? 0.270539 0.254189 0.232688  0.111155    -0.0149096  -0.0768855  131 GLU   A OE1  
3657 O OE2  . GLU   B 119 ? 0.290551 0.287011 0.296628  0.128105    0.0380812   -0.00398881 131 GLU   A OE2  
3658 H H    . GLU   B 119 ? 0.270342 0.254125 0.197685  0.121313    -0.0454377  -0.0474087  131 GLU   A H    
3659 H HA   . GLU   B 119 ? 0.274711 0.250756 0.198348  0.124884    -0.0581613  -0.0451147  131 GLU   A HA   
3660 H HB2  . GLU   B 119 ? 0.280265 0.25301  0.19806   0.127563    -0.0663538  -0.0498794  131 GLU   A HB2  
3661 H HB3  . GLU   B 119 ? 0.279149 0.251986 0.195382  0.127725    -0.0664229  -0.0480094  131 GLU   A HB3  
3662 H HG2  . GLU   B 119 ? 0.276062 0.257032 0.210893  0.124139    -0.0613856  -0.0571205  131 GLU   A HG2  
3663 H HG3  . GLU   B 119 ? 0.274271 0.257074 0.211586  0.123095    -0.0604738  -0.0577578  131 GLU   A HG3  
3664 N N    . ILE   B 120 ? 0.289676 0.254606 0.228093  0.129912    -0.0639359  -0.0560513  132 ILE   A N    
3665 C CA   . ILE   B 120 ? 0.287586 0.231317 0.255414  0.12328     -0.0987614  -0.0616578  132 ILE   A CA   
3666 C C    . ILE   B 120 ? 0.257747 0.238193 0.246287  0.116863    -0.0709752  -0.0808563  132 ILE   A C    
3667 O O    . ILE   B 120 ? 0.37566  0.246739 0.263453  0.14514     -0.117939   -0.0943545  132 ILE   A O    
3668 C CB   . ILE   B 120 ? 0.261997 0.229554 0.232509  0.109807    -0.0670342  -0.0638269  132 ILE   A CB   
3669 C CG1  . ILE   B 120 ? 0.254171 0.25363  0.211913  0.093998    -0.0638951  -0.0558302  132 ILE   A CG1  
3670 C CG2  . ILE   B 120 ? 0.243988 0.232893 0.276636  0.0955937   -0.0790933  -0.0613681  132 ILE   A CG2  
3671 C CD1  . ILE   B 120 ? 0.250189 0.225105 0.211707  0.0663625   -0.043845   -0.0518042  132 ILE   A CD1  
3672 H H    . ILE   B 120 ? 0.286514 0.253292 0.231874  0.126898    -0.063851   -0.0533437  132 ILE   A H    
3673 H HA   . ILE   B 120 ? 0.277257 0.237708 0.246651  0.117502    -0.0786393  -0.0627501  132 ILE   A HA   
3674 H HB   . ILE   B 120 ? 0.26099  0.234935 0.238895  0.103716    -0.0722335  -0.0587055  132 ILE   A HB   
3675 H HG12 . ILE   B 120 ? 0.254654 0.241089 0.216329  0.088371    -0.0580983  -0.0543738  132 ILE   A HG12 
3676 H HG13 . ILE   B 120 ? 0.255301 0.241459 0.217139  0.0886249   -0.0581562  -0.054856   132 ILE   A HG13 
3677 H HG21 . ILE   B 120 ? 0.249585 0.234349 0.26314   0.0953164   -0.0727886  -0.0601138  132 ILE   A HG21 
3678 H HG22 . ILE   B 120 ? 0.249432 0.23419  0.266156  0.0961542   -0.072793   -0.061985   132 ILE   A HG22 
3679 H HG23 . ILE   B 120 ? 0.248837 0.23296  0.262982  0.0957894   -0.0733944  -0.0609882  132 ILE   A HG23 
3680 H HD11 . ILE   B 120 ? 0.249932 0.232572 0.211791  0.0719186   -0.0479516  -0.0508344  132 ILE   A HD11 
3681 H HD12 . ILE   B 120 ? 0.249414 0.232576 0.211951  0.0715353   -0.0481857  -0.0514105  132 ILE   A HD12 
3682 H HD13 . ILE   B 120 ? 0.248469 0.232727 0.212284  0.0721853   -0.0473196  -0.0513619  132 ILE   A HD13 
3683 N N    . GLU   B 121 ? 0.303543 0.191274 0.373855  0.103026    -0.12253    -0.0781717  133 GLU   A N    
3684 C CA   . GLU   B 121 ? 0.347249 0.203229 0.365709  0.0910827   -0.125659   -0.108952   133 GLU   A CA   
3685 C C    . GLU   B 121 ? 0.340639 0.203084 0.385972  0.0814238   -0.124977   -0.0797962  133 GLU   A C    
3686 O O    . GLU   B 121 ? 0.341147 0.194679 0.398872  0.0962722   -0.141594   -0.0869164  133 GLU   A O    
3687 C CB   . GLU   B 121 ? 0.379163 0.205845 0.419788  0.0821054   -0.146433   -0.0908286  133 GLU   A CB   
3688 C CG   . GLU   B 121 ? 0.380669 0.227335 0.471437  0.0854092   -0.152853   -0.141146   133 GLU   A CG   
3689 C CD   . GLU   B 121 ? 0.363754 0.247595 0.551463  0.0719857   -0.174798   -0.120271   133 GLU   A CD   
3690 O OE1  . GLU   B 121 ? 0.436414 0.267768 0.593753  0.111009    -0.143421   -0.0857691  133 GLU   A OE1  
3691 O OE2  . GLU   B 121 ? 0.44624  0.258344 0.729458  0.0288308   -0.183532   -0.185739   133 GLU   A OE2  
3692 H H    . GLU   B 121 ? 0.300681 0.210621 0.34446   0.1011      -0.103317   -0.0855847  133 GLU   A H    
3693 H HA   . GLU   B 121 ? 0.341654 0.205454 0.375616  0.0892903   -0.123989   -0.090472   133 GLU   A HA   
3694 H HB2  . GLU   B 121 ? 0.376254 0.21468  0.415367  0.082549    -0.140056   -0.101239   133 GLU   A HB2  
3695 H HB3  . GLU   B 121 ? 0.372237 0.213877 0.412286  0.0832681   -0.138308   -0.100755   133 GLU   A HB3  
3696 H HG2  . GLU   B 121 ? 0.375161 0.230019 0.471931  0.0809922   -0.149347   -0.120586   133 GLU   A HG2  
3697 H HG3  . GLU   B 121 ? 0.377406 0.230701 0.472945  0.0810563   -0.150394   -0.120778   133 GLU   A HG3  
3698 N N    . LEU   B 122 ? 0.338087 0.205481 0.380557  0.111435    -0.144123   -0.0846426  134 LEU   A N    
3699 C CA   . LEU   B 122 ? 0.32864  0.184938 0.430359  0.0787823   -0.138335   -0.0468557  134 LEU   A CA   
3700 C C    . LEU   B 122 ? 0.369539 0.182281 0.45296   0.0689873   -0.16276    -0.0870703  134 LEU   A C    
3701 O O    . LEU   B 122 ? 0.424673 0.210325 0.447081  0.0733415   -0.196603   -0.0502235  134 LEU   A O    
3702 C CB   . LEU   B 122 ? 0.301878 0.204145 0.452539  0.0789665   -0.166657   -0.0441915  134 LEU   A CB   
3703 C CG   . LEU   B 122 ? 0.299998 0.225187 0.453815  0.0809624   -0.165791   -0.0122688  134 LEU   A CG   
3704 C CD1  . LEU   B 122 ? 0.264416 0.204748 0.47388   0.0508733   -0.143484   -0.040011   134 LEU   A CD1  
3705 C CD2  . LEU   B 122 ? 0.287797 0.212919 0.469747  0.0920579   -0.173691   -0.030494   134 LEU   A CD2  
3706 H H    . LEU   B 122 ? 0.336589 0.204061 0.389392  0.0948483   -0.133295   -0.0724253  134 LEU   A H    
3707 H HA   . LEU   B 122 ? 0.333149 0.196792 0.428975  0.0815144   -0.143188   -0.0573812  134 LEU   A HA   
3708 H HB2  . LEU   B 122 ? 0.306914 0.206342 0.444738  0.075722    -0.15462    -0.0359503  134 LEU   A HB2  
3709 H HB3  . LEU   B 122 ? 0.30875  0.208057 0.444553  0.0776806   -0.154396   -0.0356549  134 LEU   A HB3  
3710 H HG   . LEU   B 122 ? 0.297293 0.222711 0.458358  0.0791937   -0.15603    -0.024192   134 LEU   A HG   
3711 H HD11 . LEU   B 122 ? 0.275498 0.21693  0.464277  0.0569983   -0.143487   -0.0316706  134 LEU   A HD11 
3712 H HD12 . LEU   B 122 ? 0.272334 0.213787 0.463541  0.0580728   -0.142134   -0.0304113  134 LEU   A HD12 
3713 H HD13 . LEU   B 122 ? 0.269557 0.210039 0.462886  0.0520523   -0.145228   -0.0319693  134 LEU   A HD13 
3714 H HD21 . LEU   B 122 ? 0.293426 0.220876 0.4619    0.0868571   -0.164759   -0.0243864  134 LEU   A HD21 
3715 H HD22 . LEU   B 122 ? 0.291916 0.219711 0.460337  0.0854103   -0.164455   -0.0245411  134 LEU   A HD22 
3716 H HD23 . LEU   B 122 ? 0.29138  0.220453 0.461399  0.0871708   -0.163907   -0.0241672  134 LEU   A HD23 
3717 N N    . LEU   B 123 ? 0.361739 0.200012 0.455432  0.0476545   -0.176562   -0.0702916  135 LEU   A N    
3718 C CA   . LEU   B 123 ? 0.397533 0.22561  0.51312   0.049656    -0.16064    -0.0353937  135 LEU   A CA   
3719 C C    . LEU   B 123 ? 0.398954 0.217488 0.510674  0.035749    -0.192116   -0.0160787  135 LEU   A C    
3720 O O    . LEU   B 123 ? 0.391393 0.259207 0.608986  0.0352554   -0.210506   -0.0696397  135 LEU   A O    
3721 C CB   . LEU   B 123 ? 0.39936  0.182328 0.534901  0.0365523   -0.163976   -0.00339935 135 LEU   A CB   
3722 C CG   . LEU   B 123 ? 0.410437 0.205518 0.568275  0.0237994   -0.167287   0.00065276  135 LEU   A CG   
3723 C CD1  . LEU   B 123 ? 0.433798 0.275195 0.561977  0.0219306   -0.163975   0.0250692   135 LEU   A CD1  
3724 C CD2  . LEU   B 123 ? 0.447522 0.191434 0.523661  0.0230603   -0.192433   0.0134939   135 LEU   A CD2  
3725 H H    . LEU   B 123 ? 0.369078 0.203797 0.45233   0.0515332   -0.166851   -0.0666743  135 LEU   A H    
3726 H HA   . LEU   B 123 ? 0.391321 0.216745 0.501011  0.0442089   -0.164781   -0.0304785  135 LEU   A HA   
3727 H HB2  . LEU   B 123 ? 0.401163 0.203367 0.532069  0.0364238   -0.157088   -0.00804332 135 LEU   A HB2  
3728 H HB3  . LEU   B 123 ? 0.398462 0.198658 0.532822  0.0323238   -0.157455   -0.00810366 135 LEU   A HB3  
3729 H HG   . LEU   B 123 ? 0.417162 0.213459 0.547208  0.0241519   -0.163933   0.00765433  135 LEU   A HG   
3730 H HD11 . LEU   B 123 ? 0.428562 0.264509 0.564269  0.0225265   -0.159544   0.0227243   135 LEU   A HD11 
3731 H HD12 . LEU   B 123 ? 0.431682 0.261074 0.56166   0.0227614   -0.158409   0.0191082   135 LEU   A HD12 
3732 H HD13 . LEU   B 123 ? 0.430278 0.264233 0.561837  0.0259837   -0.159339   0.0184379   135 LEU   A HD13 
3733 H HD21 . LEU   B 123 ? 0.436924 0.201986 0.525919  0.0243353   -0.177886   0.0131499   135 LEU   A HD21 
3734 H HD22 . LEU   B 123 ? 0.437118 0.20265  0.531584  0.0235083   -0.177491   0.0115073   135 LEU   A HD22 
3735 H HD23 . LEU   B 123 ? 0.439475 0.202843 0.53176   0.0231398   -0.177104   0.0113168   135 LEU   A HD23 
3736 N N    . ASP   B 124 ? 0.37705  0.216396 0.535966  0.069911    -0.165257   -0.00574427 136 ASP   A N    
3737 C CA   . ASP   B 124 ? 0.378369 0.187023 0.601404  0.0262965   -0.130146   0.00861692  136 ASP   A CA   
3738 C C    . ASP   B 124 ? 0.300395 0.199327 0.584759  0.0371762   -0.142962   -0.00315385 136 ASP   A C    
3739 O O    . ASP   B 124 ? 0.328178 0.210188 0.556392  0.0145081   -0.206994   0.0382547   136 ASP   A O    
3740 C CB   . ASP   B 124 ? 0.367432 0.211998 0.609776  0.0226542   -0.132072   0.0213964   136 ASP   A CB   
3741 C CG   . ASP   B 124 ? 0.367266 0.300394 0.659631  -0.0139546  -0.128549   0.0207057   136 ASP   A CG   
3742 O OD1  . ASP   B 124 ? 0.399849 0.260835 0.713832  -0.0293326  -0.18244    -0.0252372  136 ASP   A OD1  
3743 O OD2  . ASP   B 124 ? 0.425754 0.329227 0.761466  0.00089371  -0.105986   0.0567359   136 ASP   A OD2  
3744 H H    . ASP   B 124 ? 0.3845   0.217411 0.538961  0.0524987   -0.156618   -0.00349248 136 ASP   A H    
3745 H HA   . ASP   B 124 ? 0.364674 0.208083 0.5892    0.0370797   -0.131673   0.00675217  136 ASP   A HA   
3746 H HB2  . ASP   B 124 ? 0.371852 0.223048 0.610187  0.0220305   -0.124776   0.016538    136 ASP   A HB2  
3747 H HB3  . ASP   B 124 ? 0.372419 0.229704 0.607485  0.0186172   -0.125348   0.0187977   136 ASP   A HB3  
3748 N N    . PHE   B 125 ? 0.26625  0.255171 0.526391  0.0299576   -0.144854   0.0227065   137 PHE   A N    
3749 C CA   . PHE   B 125 ? 0.31269  0.233613 0.502438  0.020068    -0.135539   0.00335109  137 PHE   A CA   
3750 C C    . PHE   B 125 ? 0.325329 0.290385 0.499542  0.00624117  -0.148409   0.0254674   137 PHE   A C    
3751 O O    . PHE   B 125 ? 0.321679 0.311885 0.570665  0.0188937   -0.205666   0.0219858   137 PHE   A O    
3752 C CB   . PHE   B 125 ? 0.287814 0.266983 0.436629  0.0343508   -0.142167   -0.011455   137 PHE   A CB   
3753 C CG   . PHE   B 125 ? 0.319559 0.189276 0.457132  0.034282    -0.142673   -0.0251467  137 PHE   A CG   
3754 C CD1  . PHE   B 125 ? 0.331347 0.28044  0.429647  0.0529496   -0.149139   0.0109744   137 PHE   A CD1  
3755 C CD2  . PHE   B 125 ? 0.338329 0.247702 0.398363  0.108405    -0.120052   -0.0208141  137 PHE   A CD2  
3756 C CE1  . PHE   B 125 ? 0.391393 0.376221 0.408874  0.0461887   -0.127534   -0.0379654  137 PHE   A CE1  
3757 C CE2  . PHE   B 125 ? 0.362611 0.258848 0.390875  0.0867465   -0.121387   -0.022555   137 PHE   A CE2  
3758 C CZ   . PHE   B 125 ? 0.393047 0.314524 0.442745  0.061691    -0.116351   -0.0231357  137 PHE   A CZ   
3759 H H    . PHE   B 125 ? 0.286196 0.241807 0.525666  0.0279445   -0.140007   0.011634    137 PHE   A H    
3760 H HA   . PHE   B 125 ? 0.30381  0.257813 0.495939  0.0219442   -0.133313   0.00883203  137 PHE   A HA   
3761 H HB2  . PHE   B 125 ? 0.300615 0.246135 0.453133  0.030545    -0.136487   -0.00897311 137 PHE   A HB2  
3762 H HB3  . PHE   B 125 ? 0.292955 0.244816 0.452296  0.0313295   -0.136591   -0.0100289  137 PHE   A HB3  
3763 H HD1  . PHE   B 125 ? 0.332722 0.272661 0.429981  0.0518778   -0.139848   -0.00680889 137 PHE   A HD1  
3764 H HD2  . PHE   B 125 ? 0.336207 0.238505 0.404723  0.085341    -0.117381   -0.0235963  137 PHE   A HD2  
3765 H HE1  . PHE   B 125 ? 0.374708 0.335943 0.419545  0.0511838   -0.125182   -0.0220794  137 PHE   A HE1  
3766 H HE2  . PHE   B 125 ? 0.358707 0.268652 0.402033  0.0854608   -0.117188   -0.0207264  137 PHE   A HE2  
3767 H HZ   . PHE   B 125 ? 0.383762 0.314608 0.430536  0.0625233   -0.114166   -0.0277174  137 PHE   A HZ   
3768 N N    . LYS   B 126 ? 0.286417 0.296621 0.539617  0.0087998   -0.133226   0.0209417   138 LYS   A N    
3769 C CA   . LYS   B 126 ? 0.302428 0.339812 0.559775  -0.00619216 -0.128744   0.0335862   138 LYS   A CA   
3770 C C    . LYS   B 126 ? 0.292766 0.274798 0.626151  0.0114717   -0.104115   0.0838179   138 LYS   A C    
3771 O O    . LYS   B 126 ? 0.280984 0.263244 0.687904  0.0252906   -0.155129   0.0530703   138 LYS   A O    
3772 C CB   . LYS   B 126 ? 0.327013 0.307008 0.604109  -0.092405   -0.0525633  0.0482804   138 LYS   A CB   
3773 H H    . LYS   B 126 ? 0.301215 0.305141 0.527465  0.00520241  -0.131954   0.0241104   138 LYS   A H    
3774 H HA   . LYS   B 126 ? 0.301904 0.3177   0.558504  -0.0136051  -0.114988   0.0411453   138 LYS   A HA   
3775 H HB2  . LYS   B 126 ? 0.404651 0.404651 0.404651  0           0           0           138 LYS   A HB2  
3776 H HB3  . LYS   B 126 ? 0.404651 0.404651 0.404651  0           0           0           138 LYS   A HB3  
3777 N N    . GLY   B 127 ? 0.303424 0.391262 0.698836  -0.0178307  -0.178085   0.048038    139 GLY   A N    
3778 C CA   . GLY   B 127 ? 0.376262 0.36125  0.726989  -0.0189464  -0.138979   0.0444218   139 GLY   A CA   
3779 C C    . GLY   B 127 ? 0.414936 0.361953 0.718789  0.0168769   -0.136424   0.0510557   139 GLY   A C    
3780 O O    . GLY   B 127 ? 0.577418 0.377908 0.745162  -0.0334482  -0.0245638  0.00997075  139 GLY   A O    
3781 H H    . GLY   B 127 ? 0.314507 0.355222 0.669021  -0.013791   -0.150364   0.0512472   139 GLY   A H    
3782 H HA2  . GLY   B 127 ? 0.368852 0.369626 0.708784  -0.0111518  -0.138647   0.0486602   139 GLY   A HA2  
3783 H HA3  . GLY   B 127 ? 0.379864 0.374268 0.713026  -0.0110995  -0.137601   0.0469579   139 GLY   A HA3  
3784 N N    . GLU   B 128 ? 0.395884 0.382128 0.756269  0.0702693   -0.122077   -0.00096345 140 GLU   A N    
3785 C CA   . GLU   B 128 ? 0.559177 0.484049 0.74036   0.0249331   -0.0708253  -0.00318242 140 GLU   A CA   
3786 C C    . GLU   B 128 ? 0.58187  0.635266 0.767537  -0.027355   -0.0722724  -0.100055   140 GLU   A C    
3787 O O    . GLU   B 128 ? 0.739714 0.820729 0.825265  -0.0634977  0.0153751   0.0557161   140 GLU   A O    
3788 C CB   . GLU   B 128 ? 0.61616  0.532436 0.750858  -0.0685426  -0.0774734  -0.0598606  140 GLU   A CB   
3789 O OXT  . GLU   B 128 ? 0.667535 0.463113 0.879914  -0.0716471  -0.0440628  -0.133661   140 GLU   A OXT  
3790 H H    . GLU   B 128 ? 0.434589 0.40507  0.739188  0.0465387   -0.111017   0.0111932   140 GLU   A H    
3791 H HA   . GLU   B 128 ? 0.53266  0.491949 0.745607  0.0145839   -0.0822807  -0.0238067  140 GLU   A HA   
3792 H HB2  . GLU   B 128 ? 0.638577 0.638577 0.638577  0           0           0           140 GLU   A HB2  
3793 H HB3  . GLU   B 128 ? 0.638577 0.638577 0.638577  0           0           0           140 GLU   A HB3  
3794 C C4   . A1INQ C .   ? 0.323311 0.228836 0.186645  0.053131    0.00740269  0.0340476   201 A1INQ B C4   
3795 C C14  . A1INQ C .   ? 0.411821 0.284582 0.189766  0.094716    -0.09609    -0.0569896  201 A1INQ B C14  
3796 C C5   . A1INQ C .   ? 0.334435 0.239534 0.201642  0.0776734   -0.0128917  0.0316293   201 A1INQ B C5   
3797 C C6   . A1INQ C .   ? 0.368188 0.222776 0.203906  0.065083    -0.0423783  0.0151003   201 A1INQ B C6   
3798 C C11  . A1INQ C .   ? 0.412304 0.265402 0.252374  0.0828432   -0.0975645  -0.0107631  201 A1INQ B C11  
3799 C C7   . A1INQ C .   ? 0.36528  0.259427 0.18016   0.0889972   -0.00350715 0.0144501   201 A1INQ B C7   
3800 C C8   . A1INQ C .   ? 0.449518 0.303905 0.214395  0.0381974   -0.0640419  0.0450813   201 A1INQ B C8   
3801 C C9   . A1INQ C .   ? 0.410014 0.227803 0.251964  0.0694998   -0.0778079  -0.0153983  201 A1INQ B C9   
3802 C C10  . A1INQ C .   ? 0.428411 0.295418 0.244924  0.0868145   -0.0758897  -0.0207015  201 A1INQ B C10  
3803 C C12  . A1INQ C .   ? 0.4681   0.248115 0.266729  0.0972451   -0.100026   -0.0301092  201 A1INQ B C12  
3804 C C13  . A1INQ C .   ? 0.397165 0.250005 0.209097  0.0827137   -0.1114     -0.0371345  201 A1INQ B C13  
3805 N N1   . A1INQ C .   ? 0.422529 0.271445 0.226636  0.0911272   -0.0981129  -0.0524127  201 A1INQ B N1   
3806 N N2   . A1INQ C .   ? 0.396555 0.330933 0.214382  0.121162    -0.0619524  -0.0652402  201 A1INQ B N2   
3807 C C3   . A1INQ C .   ? 0.3224   0.225513 0.181736  0.0582834   0.0296969   0.0371545   201 A1INQ B C3   
3808 N N3   . A1INQ C .   ? 0.418288 0.321512 0.235771  0.111346    -0.0955719  -0.05707    201 A1INQ B N3   
3809 C C1   . A1INQ C .   ? 0.430048 0.237343 0.210327  0.106044    0.0638076   0.0181148   201 A1INQ B C1   
3810 O O1   . A1INQ C .   ? 0.401895 0.276275 0.172997  0.102412    0.0377268   0.0183357   201 A1INQ B O1   
3811 C C2   . A1INQ C .   ? 0.372482 0.247838 0.166747  0.100487    0.0373303   0.0255668   201 A1INQ B C2   
3812 O O2   . A1INQ C .   ? 0.427293 0.285901 0.175311  0.0646351   -0.0453611  0.0191399   201 A1INQ B O2   
3813 O O3   . A1INQ C .   ? 0.433753 0.219678 0.210888  0.0660055   -0.0703351  0.00646074  201 A1INQ B O3   
3814 C C15  . A1INQ C .   ? 0.424028 0.302408 0.206857  0.0830692   -0.0807983  -0.00612744 201 A1INQ B C15  
3815 C C16  . A1INQ C .   ? 0.444654 0.339034 0.279013  0.0719476   -0.0418588  -0.0179367  201 A1INQ B C16  
3816 C C17  . A1INQ C .   ? 0.394141 0.339665 0.286241  0.0476782   -0.0612488  0.00997058  201 A1INQ B C17  
3817 C C18  . A1INQ C .   ? 0.32165  0.248287 0.187873  0.0348434   -0.0259132  0.0137344   201 A1INQ B C18  
3818 O O4   . A1INQ C .   ? 0.31557  0.231221 0.154276  0.0607491   0.00024042  0.00579686  201 A1INQ B O4   
3819 C C19  . A1INQ C .   ? 0.281269 0.202683 0.175762  0.0540595   -0.00430763 0.0231921   201 A1INQ B C19  
3820 O O5   . A1INQ C .   ? 0.267305 0.228997 0.180793  0.0556552   -0.0166677  0.025008    201 A1INQ B O5   
3821 C C20  . A1INQ C .   ? 0.266522 0.222834 0.173479  0.0494667   0.00503735  -2.743e-05  201 A1INQ B C20  
3822 C C21  . A1INQ C .   ? 0.248252 0.229814 0.184598  0.037356    0.00952791  0.00493416  201 A1INQ B C21  
3823 C C22  . A1INQ C .   ? 0.254789 0.233188 0.215769  0.0479545   0.00118316  -0.015671   201 A1INQ B C22  
3824 C C23  . A1INQ C .   ? 0.280174 0.223033 0.223325  0.0424183   0.00660855  -0.0106344  201 A1INQ B C23  
3825 C C24  . A1INQ C .   ? 0.278175 0.224155 0.230211  0.0523821   0.0130796   0.00820875  201 A1INQ B C24  
3826 N N4   . A1INQ C .   ? 0.25027  0.209896 0.187667  0.056172    -0.0150018  0.0101961   201 A1INQ B N4   
3827 C C25  . A1INQ C .   ? 0.272992 0.22916  0.174261  0.0578      0.0149397   0.0122649   201 A1INQ B C25  
3828 O O6   . A1INQ C .   ? 0.271039 0.218441 0.154987  0.0655045   0.0254968   0.0299533   201 A1INQ B O6   
3829 C C26  . A1INQ C .   ? 0.269642 0.227923 0.177116  0.0444808   0.0161388   0.0321958   201 A1INQ B C26  
3830 C C27  . A1INQ C .   ? 0.285623 0.259683 0.180506  0.0489836   0.0179148   0.0432475   201 A1INQ B C27  
3831 C C28  . A1INQ C .   ? 0.27957  0.274359 0.189905  0.0436164   0.0401414   0.037591    201 A1INQ B C28  
3832 C C29  . A1INQ C .   ? 0.291753 0.317394 0.227678  0.0240108   0.00747016  0.0612748   201 A1INQ B C29  
3833 C C30  . A1INQ C .   ? 0.284527 0.321336 0.23613   0.038549    -8.232e-05  0.0727478   201 A1INQ B C30  
3834 C C31  . A1INQ C .   ? 0.287967 0.314587 0.231169  0.0350212   0.0271417   0.0518933   201 A1INQ B C31  
3835 C C32  . A1INQ C .   ? 0.296861 0.282077 0.199033  0.0368911   0.00860482  0.0573866   201 A1INQ B C32  
3836 H H5   . A1INQ C .   ? 0.339987 0.236685 0.202277  0.066805    -0.0146557  0.0282281   201 A1INQ B H5   
3837 H H14  . A1INQ C .   ? 0.421257 0.255896 0.25777   0.0796085   -0.090295   -0.0143061  201 A1INQ B H14  
3838 H H13  . A1INQ C .   ? 0.419959 0.254711 0.257338  0.0800199   -0.0897304  -0.0146407  201 A1INQ B H13  
3839 H H7   . A1INQ C .   ? 0.440397 0.300446 0.208938  0.0456633   -0.0541252  0.0366716   201 A1INQ B H7   
3840 H H8   . A1INQ C .   ? 0.444117 0.301715 0.206725  0.0432028   -0.0546117  0.0364655   201 A1INQ B H8   
3841 H H6   . A1INQ C .   ? 0.439906 0.302069 0.206798  0.0461338   -0.0545328  0.0368077   201 A1INQ B H6   
3842 H H9   . A1INQ C .   ? 0.410833 0.244477 0.242721  0.0702029   -0.0779475  -0.0112327  201 A1INQ B H9   
3843 H H12  . A1INQ C .   ? 0.422196 0.277684 0.251278  0.0808833   -0.0713695  -0.0167622  201 A1INQ B H12  
3844 H H10  . A1INQ C .   ? 0.420925 0.278688 0.251796  0.0776902   -0.0732999  -0.0158669  201 A1INQ B H10  
3845 H H11  . A1INQ C .   ? 0.418603 0.276391 0.251646  0.077834    -0.0700037  -0.0175101  201 A1INQ B H11  
3846 H H15  . A1INQ C .   ? 0.44379  0.261818 0.257838  0.0882446   -0.0978136  -0.0275656  201 A1INQ B H15  
3847 H H16  . A1INQ C .   ? 0.440957 0.260603 0.255918  0.0902437   -0.0960139  -0.0284714  201 A1INQ B H16  
3848 H H17  . A1INQ C .   ? 0.403692 0.264229 0.21162   0.0849596   -0.100878   -0.0422211  201 A1INQ B H17  
3849 H H4   . A1INQ C .   ? 0.331683 0.231666 0.182587  0.0659001   0.0254215   0.0329205   201 A1INQ B H4   
3850 H H2   . A1INQ C .   ? 0.415953 0.250975 0.201699  0.102496    0.0541525   0.0172564   201 A1INQ B H2   
3851 H H3   . A1INQ C .   ? 0.413919 0.251037 0.202451  0.101664    0.0529695   0.0180299   201 A1INQ B H3   
3852 H H1   . A1INQ C .   ? 0.417461 0.251752 0.202004  0.102795    0.0546424   0.0186636   201 A1INQ B H1   
3853 H H19  . A1INQ C .   ? 0.421048 0.30474  0.218271  0.0818151   -0.074143   -0.0202179  201 A1INQ B H19  
3854 H H18  . A1INQ C .   ? 0.420283 0.304493 0.216505  0.0813716   -0.0753461  -0.0209527  201 A1INQ B H18  
3855 H H21  . A1INQ C .   ? 0.427284 0.335576 0.264916  0.0699648   -0.0541671  -0.00817097 201 A1INQ B H21  
3856 H H20  . A1INQ C .   ? 0.42657  0.33174  0.265576  0.0679065   -0.0544486  -0.00796674 201 A1INQ B H20  
3857 H H23  . A1INQ C .   ? 0.382948 0.320652 0.256404  0.0527591   -0.0472327  0.00476686  201 A1INQ B H23  
3858 H H22  . A1INQ C .   ? 0.388648 0.313192 0.264664  0.0485266   -0.0543358  0.00539185  201 A1INQ B H22  
3859 H H25  . A1INQ C .   ? 0.326278 0.25043  0.195051  0.0399434   -0.0230531  0.0121635   201 A1INQ B H25  
3860 H H24  . A1INQ C .   ? 0.327021 0.256178 0.194347  0.0424374   -0.0225066  0.010974    201 A1INQ B H24  
3861 H H26  . A1INQ C .   ? 0.263799 0.220838 0.180569  0.0457886   0.00171081  0.0059955   201 A1INQ B H26  
3862 H H28  . A1INQ C .   ? 0.251802 0.22637  0.189564  0.039486    0.00662435  -3.25e-05   201 A1INQ B H28  
3863 H H27  . A1INQ C .   ? 0.252526 0.228259 0.189226  0.0407909   0.00625722  -0.00067933 201 A1INQ B H27  
3864 H H29  . A1INQ C .   ? 0.258367 0.230465 0.211373  0.0427429   0.00379208  -0.0092896  201 A1INQ B H29  
3865 H H30  . A1INQ C .   ? 0.258046 0.230357 0.210433  0.0428739   0.0038467   -0.00931756 201 A1INQ B H30  
3866 H H31  . A1INQ C .   ? 0.272839 0.226727 0.223453  0.0443453   0.0065304   -0.00750098 201 A1INQ B H31  
3867 H H32  . A1INQ C .   ? 0.273573 0.228086 0.223681  0.0433362   0.00698634  -0.00785291 201 A1INQ B H32  
3868 H H33  . A1INQ C .   ? 0.272054 0.222666 0.218535  0.0509661   0.00536686  0.004952    201 A1INQ B H33  
3869 H H34  . A1INQ C .   ? 0.273738 0.221531 0.225605  0.0503987   0.00839723  0.00495936  201 A1INQ B H34  
3870 H H35  . A1INQ C .   ? 0.28153  0.232478 0.180961  0.0486566   0.014164    0.0290724   201 A1INQ B H35  
3871 H H36  . A1INQ C .   ? 0.282528 0.258472 0.186585  0.0441761   0.0195422   0.0409175   201 A1INQ B H36  
3872 H H38  . A1INQ C .   ? 0.281682 0.272595 0.19591   0.0415641   0.0283826   0.0405486   201 A1INQ B H38  
3873 H H37  . A1INQ C .   ? 0.281334 0.27547  0.195649  0.0393483   0.0280013   0.042477    201 A1INQ B H37  
3874 H H39  . A1INQ C .   ? 0.287729 0.31337  0.222815  0.0289187   0.0130851   0.0581224   201 A1INQ B H39  
3875 H H40  . A1INQ C .   ? 0.287267 0.308012 0.224978  0.0307723   0.0139262   0.057163    201 A1INQ B H40  
3876 H H41  . A1INQ C .   ? 0.283838 0.318211 0.234469  0.0338234   0.00746946  0.0636433   201 A1INQ B H41  
3877 H H42  . A1INQ C .   ? 0.286592 0.320271 0.234742  0.0329446   0.00763857  0.0642623   201 A1INQ B H42  
3878 H H43  . A1INQ C .   ? 0.290229 0.307568 0.226683  0.0354998   0.0159531   0.0555469   201 A1INQ B H43  
3879 H H44  . A1INQ C .   ? 0.289809 0.308036 0.22639   0.0358726   0.0157384   0.0553689   201 A1INQ B H44  
3880 H H46  . A1INQ C .   ? 0.292612 0.283959 0.202682  0.0376946   0.0142063   0.0514736   201 A1INQ B H46  
3881 H H45  . A1INQ C .   ? 0.291781 0.282386 0.201069  0.0382512   0.0139816   0.0508878   201 A1INQ B H45  
3882 C C4   . A1INQ D .   ? 0.257414 0.205555 0.157159  0.0198719   -0.00533683 0.0193764   201 A1INQ A C4   
3883 C C14  . A1INQ D .   ? 0.587495 0.408382 0.309887  -0.0964878  0.0430766   -0.0783129  201 A1INQ A C14  
3884 C C5   . A1INQ D .   ? 0.336203 0.209731 0.174425  -0.0258253  -0.0105223  0.0132338   201 A1INQ A C5   
3885 C C6   . A1INQ D .   ? 0.353816 0.273431 0.179819  -0.0246434  0.00733168  0.0620927   201 A1INQ A C6   
3886 C C11  . A1INQ D .   ? 0.579486 0.533279 0.415481  -0.0784713  0.0604931   -0.020003   201 A1INQ A C11  
3887 C C7   . A1INQ D .   ? 0.304251 0.262243 0.173314  0.00274749  0.034463    0.0419768   201 A1INQ A C7   
3888 C C8   . A1INQ D .   ? 0.406066 0.310232 0.23438   0.03899     0.0425332   0.0521198   201 A1INQ A C8   
3889 C C9   . A1INQ D .   ? 0.581156 0.520606 0.377447  -0.0519145  0.0281271   0.0304739   201 A1INQ A C9   
3890 C C10  . A1INQ D .   ? 0.626999 0.52597  0.459802  -0.00768075 0.0775101   0.047853    201 A1INQ A C10  
3891 C C12  . A1INQ D .   ? 0.593808 0.510228 0.482856  -0.0666829  0.0692541   -0.0638981  201 A1INQ A C12  
3892 C C13  . A1INQ D .   ? 0.654303 0.490594 0.322994  -0.0908253  0.0878599   -0.0676627  201 A1INQ A C13  
3893 N N1   . A1INQ D .   ? 0.651084 0.438581 0.346463  -0.0700804  0.0460874   -0.0958924  201 A1INQ A N1   
3894 N N2   . A1INQ D .   ? 0.607994 0.446779 0.327397  -0.083966   0.144463    0.0398777   201 A1INQ A N2   
3895 C C3   . A1INQ D .   ? 0.238938 0.226902 0.153571  0.0147416   0.0212274   0.0102649   201 A1INQ A C3   
3896 N N3   . A1INQ D .   ? 0.664983 0.381894 0.402508  -0.119159   0.0960274   -0.0213142  201 A1INQ A N3   
3897 C C1   . A1INQ D .   ? 0.279426 0.238904 0.142085  0.0480402   0.00877427  -0.00779843 201 A1INQ A C1   
3898 O O1   . A1INQ D .   ? 0.317134 0.246755 0.140265  0.0217633   0.0231458   0.00352837  201 A1INQ A O1   
3899 C C2   . A1INQ D .   ? 0.269922 0.222934 0.17231   0.0238886   0.0276768   0.0249812   201 A1INQ A C2   
3900 O O2   . A1INQ D .   ? 0.364298 0.315594 0.199171  -0.00370792 0.0410286   0.0507863   201 A1INQ A O2   
3901 O O3   . A1INQ D .   ? 0.545962 0.345177 0.295707  -0.0279142  -0.0416417  0.119458    201 A1INQ A O3   
3902 C C15  . A1INQ D .   ? 0.509516 0.446947 0.347095  -0.0554555  0.00414184  -0.0147835  201 A1INQ A C15  
3903 C C16  . A1INQ D .   ? 0.419341 0.353437 0.260728  0.01897     0.0388498   -0.0648456  201 A1INQ A C16  
3904 C C17  . A1INQ D .   ? 0.376585 0.35662  0.173889  0.0105082   0.0473959   -0.0314431  201 A1INQ A C17  
3905 C C18  . A1INQ D .   ? 0.302474 0.242009 0.155643  0.00986777  0.0642313   0.00291277  201 A1INQ A C18  
3906 O O4   . A1INQ D .   ? 0.234473 0.225739 0.152754  0.0253783   0.0256111   0.00221255  201 A1INQ A O4   
3907 C C19  . A1INQ D .   ? 0.239671 0.204787 0.15539   0.0147385   0.0313987   0.00931432  201 A1INQ A C19  
3908 O O5   . A1INQ D .   ? 0.230387 0.183601 0.174564  0.0208551   0.012191    0.00351905  201 A1INQ A O5   
3909 C C20  . A1INQ D .   ? 0.22034  0.198708 0.163613  0.0161644   0.0187818   0.00207421  201 A1INQ A C20  
3910 C C21  . A1INQ D .   ? 0.236822 0.212597 0.183144  0.0214812   0.0142552   -0.0285821  201 A1INQ A C21  
3911 C C22  . A1INQ D .   ? 0.222646 0.194352 0.20872   0.0252088   -0.00100633 -0.0306761  201 A1INQ A C22  
3912 C C23  . A1INQ D .   ? 0.23329  0.18645  0.226916  0.0194666   -0.00613172 -0.0075445  201 A1INQ A C23  
3913 C C24  . A1INQ D .   ? 0.2161   0.191105 0.20102   0.0210791   0.00930213  0.00833856  201 A1INQ A C24  
3914 N N4   . A1INQ D .   ? 0.203951 0.195414 0.161298  0.0119958   0.0137471   0.00253776  201 A1INQ A N4   
3915 C C25  . A1INQ D .   ? 0.211579 0.190964 0.158028  0.0171019   0.00341711  -0.00107531 201 A1INQ A C25  
3916 O O6   . A1INQ D .   ? 0.224249 0.20389  0.16439   0.00639725  0.0029861   -0.0144491  201 A1INQ A O6   
3917 C C26  . A1INQ D .   ? 0.254335 0.209562 0.151218  0.0225491   -0.00619758 3.048e-05   201 A1INQ A C26  
3918 C C27  . A1INQ D .   ? 0.252694 0.231382 0.143437  0.0407732   -0.011896   -0.00999684 201 A1INQ A C27  
3919 C C28  . A1INQ D .   ? 0.25397  0.240644 0.153388  0.0549196   -0.0119386  -0.00363427 201 A1INQ A C28  
3920 C C29  . A1INQ D .   ? 0.247031 0.261971 0.16526   0.0436136   0.0138294   -0.0246815  201 A1INQ A C29  
3921 C C30  . A1INQ D .   ? 0.246225 0.282304 0.209917  0.0479622   -0.00976472 -0.0384397  201 A1INQ A C30  
3922 C C31  . A1INQ D .   ? 0.257798 0.296623 0.204173  0.0485816   -0.0264254  -0.0203361  201 A1INQ A C31  
3923 C C32  . A1INQ D .   ? 0.277283 0.275596 0.155393  0.054022    -0.00682078 -0.00580587 201 A1INQ A C32  
3924 H H5   . A1INQ D .   ? 0.315874 0.214095 0.170524  -0.0123719  -0.00492306 0.0178553   201 A1INQ A H5   
3925 H H14  . A1INQ D .   ? 0.569066 0.511835 0.414081  -0.0648694  0.049099    -0.0169919  201 A1INQ A H14  
3926 H H13  . A1INQ D .   ? 0.580051 0.527686 0.42195   -0.0695119  0.0512765   -0.0164595  201 A1INQ A H13  
3927 H H7   . A1INQ D .   ? 0.389986 0.312323 0.232908  0.0254775   0.0416764   0.0499406   201 A1INQ A H7   
3928 H H8   . A1INQ D .   ? 0.393454 0.313569 0.227739  0.0279569   0.0437818   0.0518635   201 A1INQ A H8   
3929 H H6   . A1INQ D .   ? 0.388172 0.30987  0.225737  0.0254011   0.0414598   0.0503333   201 A1INQ A H6   
3930 H H9   . A1INQ D .   ? 0.581629 0.479323 0.379244  -0.0452722  0.0243785   0.043136    201 A1INQ A H9   
3931 H H12  . A1INQ D .   ? 0.609342 0.526197 0.437805  -0.0184175  0.0610063   0.0418528   201 A1INQ A H12  
3932 H H10  . A1INQ D .   ? 0.614348 0.530066 0.438064  -0.0149861  0.0599707   0.0413023   201 A1INQ A H10  
3933 H H11  . A1INQ D .   ? 0.61092  0.529595 0.449053  -0.0177134  0.062988    0.0477351   201 A1INQ A H11  
3934 H H15  . A1INQ D .   ? 0.606161 0.504745 0.442914  -0.0643578  0.0587389   -0.0653345  201 A1INQ A H15  
3935 H H16  . A1INQ D .   ? 0.608741 0.496224 0.457781  -0.0655497  0.0658717   -0.0549008  201 A1INQ A H16  
3936 H H17  . A1INQ D .   ? 0.63129  0.458205 0.32448   -0.0841831  0.0676996   -0.0710148  201 A1INQ A H17  
3937 H H4   . A1INQ D .   ? 0.2504   0.22287  0.159955  0.0180586   0.0153416   0.0139052   201 A1INQ A H4   
3938 H H2   . A1INQ D .   ? 0.28656  0.238986 0.142458  0.0395768   0.0124329   -0.00526684 201 A1INQ A H2   
3939 H H3   . A1INQ D .   ? 0.283741 0.239145 0.141794  0.0404058   0.0105782   -0.00252453 201 A1INQ A H3   
3940 H H1   . A1INQ D .   ? 0.283914 0.239997 0.143346  0.0398328   0.0136475   -0.00395037 201 A1INQ A H1   
3941 H H19  . A1INQ D .   ? 0.500877 0.412753 0.323583  -0.0430984  0.0207674   -0.0389076  201 A1INQ A H19  
3942 H H18  . A1INQ D .   ? 0.509952 0.415761 0.33907   -0.0477578  0.00795917  -0.0331512  201 A1INQ A H18  
3943 H H21  . A1INQ D .   ? 0.418875 0.368145 0.257609  0.00461109  0.0370585   -0.0452701  201 A1INQ A H21  
3944 H H20  . A1INQ D .   ? 0.411418 0.363487 0.248155  0.00782567  0.0405988   -0.0483412  201 A1INQ A H20  
3945 H H23  . A1INQ D .   ? 0.360253 0.321499 0.189204  0.0113058   0.0477655   -0.0265704  201 A1INQ A H23  
3946 H H22  . A1INQ D .   ? 0.360817 0.322013 0.19121   0.0110951   0.0480207   -0.0250729  201 A1INQ A H22  
3947 H H25  . A1INQ D .   ? 0.291918 0.248445 0.160916  0.0151802   0.0494359   -0.00170209 201 A1INQ A H25  
3948 H H24  . A1INQ D .   ? 0.296202 0.254357 0.164588  0.0142362   0.0529467   -0.00322488 201 A1INQ A H24  
3949 H H26  . A1INQ D .   ? 0.221234 0.200411 0.165526  0.0145946   0.0191618   -0.00105211 201 A1INQ A H26  
3950 H H28  . A1INQ D .   ? 0.230791 0.208612 0.185111  0.018093    0.0123804   -0.0217749  201 A1INQ A H28  
3951 H H27  . A1INQ D .   ? 0.228873 0.205456 0.183244  0.0205624   0.0128011   -0.022063   201 A1INQ A H27  
3952 H H29  . A1INQ D .   ? 0.226058 0.19701  0.205485  0.0219482   3.805e-05   -0.0247716  201 A1INQ A H29  
3953 H H30  . A1INQ D .   ? 0.227122 0.197064 0.20581   0.0224143   0.00161569  -0.0244961  201 A1INQ A H30  
3954 H H31  . A1INQ D .   ? 0.227727 0.191232 0.221808  0.0197347   -0.00360682 -0.00688954 201 A1INQ A H31  
3955 H H32  . A1INQ D .   ? 0.227121 0.191024 0.217767  0.0207966   -0.00189273 -0.00873131 201 A1INQ A H32  
3956 H H33  . A1INQ D .   ? 0.215857 0.190762 0.195669  0.0189525   0.0065897   0.00350191  201 A1INQ A H33  
3957 H H34  . A1INQ D .   ? 0.216464 0.191786 0.197626  0.0180529   0.00630717  0.00367683  201 A1INQ A H34  
3958 H H35  . A1INQ D .   ? 0.244865 0.208177 0.15467   0.022957    -0.00474238 0.00170329  201 A1INQ A H35  
3959 H H36  . A1INQ D .   ? 0.255329 0.231698 0.150402  0.0398009   -0.00970178 -0.00674807 201 A1INQ A H36  
3960 H H38  . A1INQ D .   ? 0.251101 0.242901 0.155494  0.0488728   -0.0059877  -0.00828959 201 A1INQ A H38  
3961 H H37  . A1INQ D .   ? 0.248955 0.238123 0.154072  0.0503901   -0.00760295 -0.00660227 201 A1INQ A H37  
3962 H H39  . A1INQ D .   ? 0.247865 0.259558 0.17232   0.0457795   0.00287473  -0.0219962  201 A1INQ A H39  
3963 H H40  . A1INQ D .   ? 0.247833 0.2599   0.166952  0.0460498   0.00356932  -0.0228347  201 A1INQ A H40  
3964 H H41  . A1INQ D .   ? 0.248716 0.279431 0.199297  0.0456185   -0.00730106 -0.0300808  201 A1INQ A H41  
3965 H H42  . A1INQ D .   ? 0.248889 0.278787 0.199259  0.0454823   -0.00738285 -0.0302233  201 A1INQ A H42  
3966 H H43  . A1INQ D .   ? 0.260608 0.289481 0.196892  0.048221    -0.0165756  -0.0191563  201 A1INQ A H43  
3967 H H44  . A1INQ D .   ? 0.26005  0.288332 0.196462  0.0478392   -0.0168084  -0.0204629  201 A1INQ A H44  
3968 H H46  . A1INQ D .   ? 0.267384 0.271445 0.164521  0.0501523   -0.0115436  -0.00809529 201 A1INQ A H46  
3969 H H45  . A1INQ D .   ? 0.266442 0.267962 0.159429  0.0483163   -0.0110945  -0.00967383 201 A1INQ A H45  
3970 O O    . HOH   E .   ? 0.33706  0.666879 0.412276  -0.0202828  -0.0059287  0.0144837   301 HOH   B O    
3971 O O    . HOH   E .   ? 0.570606 0.955286 0.64749   -0.0268123  0.185342    -0.0345278  302 HOH   B O    
3972 O O    . HOH   E .   ? 0.477007 0.343516 0.40254   -0.0100951  -0.0935305  0.0358122   303 HOH   B O    
3973 O O    . HOH   E .   ? 0.46808  0.460766 0.342449  0.0363889   0.0121188   0.0510416   304 HOH   B O    
3974 O O    . HOH   E .   ? 0.458411 0.352846 0.573812  0.103086    0.028241    0.00391682  305 HOH   B O    
3975 O O    . HOH   E .   ? 0.262    0.31402  0.251673  0.0374218   -0.0464358  -0.00029331 306 HOH   B O    
3976 O O    . HOH   E .   ? 0.44082  0.37241  0.351179  0.033622    -0.0144402  -0.0325475  307 HOH   B O    
3977 O O    . HOH   E .   ? 0.521936 0.399546 0.468172  0.0517513   0.00058627  0.0178591   308 HOH   B O    
3978 O O    . HOH   E .   ? 0.46164  0.43646  0.506632  0.0509456   0.0277566   -0.0565961  309 HOH   B O    
3979 O O    . HOH   E .   ? 0.275289 0.443326 0.332373  0.0435303   -0.0441561  0.0314126   310 HOH   B O    
3980 O O    . HOH   E .   ? 0.426346 0.670494 0.492912  0.133575    -0.102365   -0.051054   311 HOH   B O    
3981 O O    . HOH   E .   ? 0.416148 0.447918 0.406166  -0.0265134  0.0878841   -0.0694652  312 HOH   B O    
3982 O O    . HOH   E .   ? 0.416402 0.382705 0.199907  -0.00971262 0.0357334   -0.0385394  313 HOH   B O    
3983 O O    . HOH   E .   ? 0.450623 0.493547 0.395978  -0.0100203  0.0191267   -0.0385105  314 HOH   B O    
3984 O O    . HOH   E .   ? 0.645553 0.218504 0.418437  -0.0285223  -0.0699898  -0.0280348  315 HOH   B O    
3985 O O    . HOH   E .   ? 0.290775 0.403995 0.310805  -0.0145076  -0.00124533 0.0221046   316 HOH   B O    
3986 O O    . HOH   E .   ? 0.60137  0.363552 0.28625   0.0781513   -0.0709574  0.0118159   317 HOH   B O    
3987 O O    . HOH   E .   ? 0.36673  0.268963 0.213484  0.0260158   -0.0300262  0.0505867   318 HOH   B O    
3988 O O    . HOH   E .   ? 0.247561 0.582364 0.395317  0.0924955   0.0510008   -0.187176   319 HOH   B O    
3989 O O    . HOH   E .   ? 0.430543 0.56947  0.50654   0.0459025   0.0794689   0.0841613   320 HOH   B O    
3990 O O    . HOH   E .   ? 0.384805 0.583585 0.216192  0.0392979   0.0233711   0.00620337  321 HOH   B O    
3991 O O    . HOH   E .   ? 0.466603 0.293427 0.407346  0.0567103   -0.0387634  -0.0117525  322 HOH   B O    
3992 O O    . HOH   E .   ? 0.397542 0.435644 0.194947  0.181273    -0.0249617  -0.0769281  323 HOH   B O    
3993 O O    . HOH   E .   ? 0.324153 0.450922 0.266348  0.0613531   0.0256219   -0.142397   324 HOH   B O    
3994 O O    . HOH   E .   ? 0.437941 0.570914 0.690412  -0.101789   0.127252    -0.256107   325 HOH   B O    
3995 O O    . HOH   E .   ? 0.246513 0.241279 0.153712  0.0431065   0.0157905   0.00646701  326 HOH   B O    
3996 O O    . HOH   E .   ? 0.32355  0.33205  0.222981  0.0411791   -0.0366601  0.0233153   327 HOH   B O    
3997 O O    . HOH   E .   ? 0.249999 0.29538  0.217249  -0.031774   0.00649325  0.00278486  328 HOH   B O    
3998 O O    . HOH   E .   ? 0.650849 0.505325 0.568473  0.125151    0.209545    0.300592    329 HOH   B O    
3999 O O    . HOH   E .   ? 0.525982 0.358431 0.478222  0.0762907   -0.02086    -0.160032   330 HOH   B O    
4000 O O    . HOH   E .   ? 0.333932 0.605061 0.501671  -0.0797528  0.0528622   -0.100344   331 HOH   B O    
4001 O O    . HOH   E .   ? 0.481373 0.499812 0.526781  0.11797     -0.116972   0.113973    332 HOH   B O    
4002 O O    . HOH   E .   ? 0.30819  0.308166 0.270934  0.0885496   0.0281472   0.0368174   333 HOH   B O    
4003 O O    . HOH   E .   ? 0.423128 0.29278  0.344686  0.0260704   -0.0596974  -0.0475758  334 HOH   B O    
4004 O O    . HOH   E .   ? 0.303316 0.40761  0.405257  0.0334594   -0.0171165  -0.157437   335 HOH   B O    
4005 O O    . HOH   E .   ? 0.467377 0.367947 0.298025  -0.0748525  -0.0377202  0.0294173   336 HOH   B O    
4006 O O    . HOH   E .   ? 0.311704 0.469492 0.238768  0.0306015   0.0516296   -0.064725   337 HOH   B O    
4007 O O    . HOH   E .   ? 0.259612 0.316163 0.252936  -0.0611174  0.00778408  0.0183879   338 HOH   B O    
4008 O O    . HOH   E .   ? 0.446398 0.323248 0.242107  0.0184353   0.158876    -0.0418009  339 HOH   B O    
4009 O O    . HOH   E .   ? 0.325382 0.741801 0.293379  -0.116705   0.0527341   -0.00262631 340 HOH   B O    
4010 O O    . HOH   E .   ? 0.256163 0.24518  0.223475  0.00970963  0.0244813   -0.0508606  341 HOH   B O    
4011 O O    . HOH   E .   ? 0.221935 0.240314 0.171056  0.01666     0.0268499   0.0199095   342 HOH   B O    
4012 O O    . HOH   E .   ? 0.323771 0.451064 0.278215  0.105701    0.0319387   0.0524515   343 HOH   B O    
4013 O O    . HOH   E .   ? 0.50207  0.30053  0.358475  0.0226715   0.0154688   -0.0480788  344 HOH   B O    
4014 O O    . HOH   E .   ? 0.573146 0.719894 0.48338   -0.0356487  -0.0617525  0.181998    345 HOH   B O    
4015 O O    . HOH   E .   ? 0.306671 0.425226 0.227937  -0.0103686  0.0269839   0.0297121   346 HOH   B O    
4016 O O    . HOH   E .   ? 0.465533 0.383694 0.328221  0.00170778  0.0186402   0.0465844   347 HOH   B O    
4017 O O    . HOH   E .   ? 0.393325 0.335717 0.298601  0.0730644   0.0291221   -0.0257474  348 HOH   B O    
4018 O O    . HOH   E .   ? 0.234024 0.309191 0.34108   0.0452027   -0.0173822  0.0109081   349 HOH   B O    
4019 O O    . HOH   E .   ? 0.482012 0.683824 0.304243  -0.108996   -7.275e-05  0.0693033   350 HOH   B O    
4020 O O    . HOH   E .   ? 0.346346 0.499338 0.355342  0.0849942   -0.00768135 0.0683599   351 HOH   B O    
4021 O O    . HOH   E .   ? 0.28863  0.324174 0.352147  -0.0353513  -0.0411189  0.00945386  352 HOH   B O    
4022 O O    . HOH   E .   ? 0.332872 0.676975 0.479825  0.0263769   -0.0245544  -0.142839   353 HOH   B O    
4023 O O    . HOH   E .   ? 0.219547 0.24029  0.186821  0.022035    0.0164304   -0.00716517 354 HOH   B O    
4024 O O    . HOH   E .   ? 0.415852 0.35884  0.334278  -0.0556509  -0.115713   0.0432348   355 HOH   B O    
4025 O O    . HOH   E .   ? 0.492822 0.496866 0.301635  0.17614     -0.0809655  -0.0441939  356 HOH   B O    
4026 O O    . HOH   E .   ? 0.311628 0.528236 0.399885  -0.0427549  -0.013911   -0.135565   357 HOH   B O    
4027 O O    . HOH   E .   ? 0.442236 0.274791 0.794026  0.0601569   0.197016    0.101333    358 HOH   B O    
4028 O O    . HOH   E .   ? 0.285159 0.373836 0.261677  0.00209465  0.0334582   -0.0210759  359 HOH   B O    
4029 O O    . HOH   E .   ? 0.710952 0.620186 0.760729  -0.125158   0.173937    -0.130927   360 HOH   B O    
4030 O O    . HOH   E .   ? 0.4956   0.480124 0.278046  0.0393478   0.134548    0.0736957   361 HOH   B O    
4031 O O    . HOH   E .   ? 0.30783  0.300957 0.257214  0.0133918   -0.027814   -0.00087002 362 HOH   B O    
4032 O O    . HOH   E .   ? 0.487474 0.595342 0.329849  0.00114948  0.0296451   -0.161507   363 HOH   B O    
4033 O O    . HOH   E .   ? 0.796586 0.342046 0.284012  0.172895    -0.0014589  -0.0347821  364 HOH   B O    
4034 O O    . HOH   E .   ? 0.416165 0.32215  0.348697  0.0455702   -0.0254824  -0.0151962  365 HOH   B O    
4035 O O    . HOH   E .   ? 0.282479 0.251445 0.145178  0.0696968   -0.00027714 -0.0450902  366 HOH   B O    
4036 O O    . HOH   E .   ? 0.489486 1.08741  0.467479  -0.237808   0.0218328   0.00240098  367 HOH   B O    
4037 O O    . HOH   E .   ? 0.475462 0.282276 0.565806  0.0177702   -0.00749548 0.0641523   368 HOH   B O    
4038 O O    . HOH   E .   ? 0.711889 0.529634 0.250963  -0.145078   -0.141385   0.0824045   369 HOH   B O    
4039 O O    . HOH   E .   ? 0.288911 0.481174 0.394016  -0.0824602  -0.0151339  0.126907    370 HOH   B O    
4040 O O    . HOH   E .   ? 0.581314 0.504514 0.498056  0.0426993   -0.206336   -0.175224   371 HOH   B O    
4041 O O    . HOH   E .   ? 0.399167 0.315516 0.307673  0.0391066   -0.0744241  0.0146927   372 HOH   B O    
4042 O O    . HOH   E .   ? 0.798847 0.320177 0.546534  0.158187    -0.0641352  0.077044    373 HOH   B O    
4043 O O    . HOH   E .   ? 0.500712 0.423289 0.467837  -0.0216397  0.0786747   0.00171355  374 HOH   B O    
4044 O O    . HOH   E .   ? 0.303891 0.567386 0.251974  0.0957959   -0.0506907  -0.0283178  375 HOH   B O    
4045 O O    . HOH   E .   ? 0.52395  0.398942 0.300362  0.0608811   0.0118681   -0.105441   376 HOH   B O    
4046 O O    . HOH   E .   ? 0.475781 0.60073  0.990274  -0.0385824  0.0165477   0.171819    377 HOH   B O    
4047 O O    . HOH   E .   ? 0.398271 0.425438 0.348421  0.022572    0.0185604   0.00837306  378 HOH   B O    
4048 O O    . HOH   E .   ? 0.683666 0.62989  0.426259  0.15785     0.0590388   -0.149421   379 HOH   B O    
4049 O O    . HOH   E .   ? 0.561637 0.357916 1.02735   -0.144756   -0.0649948  0.0695139   380 HOH   B O    
4050 O O    . HOH   E .   ? 0.317373 0.43978  0.814936  0.053015    -0.066095   -0.166948   381 HOH   B O    
4051 O O    . HOH   E .   ? 0.438618 0.502927 0.345687  -0.0215051  -0.0507396  0.142611    382 HOH   B O    
4052 O O    . HOH   E .   ? 0.500373 0.500115 0.349113  -0.0005046  -0.0379967  0.010712    383 HOH   B O    
4053 O O    . HOH   E .   ? 0.733007 0.403261 0.450835  0.0428305   0.0855358   0.0616744   384 HOH   B O    
4054 O O    . HOH   E .   ? 0.806547 0.435918 0.638892  -0.0121588  -0.0215246  -0.0213982  385 HOH   B O    
4055 O O    . HOH   E .   ? 0.530526 0.36611  0.412426  0.0394028   -0.109831   -0.0973664  386 HOH   B O    
4056 O O    . HOH   E .   ? 0.458845 0.423705 0.512876  0.160424    -0.15283    -0.166535   387 HOH   B O    
4057 O O    . HOH   E .   ? 0.4676   0.405394 0.4983    -0.0268066  -0.0703477  -0.0320598  388 HOH   B O    
4058 O O    . HOH   E .   ? 0.47282  0.433758 0.563885  0.0477525   -0.0745645  0.0230264   389 HOH   B O    
4059 O O    . HOH   E .   ? 0.519203 0.401046 0.415121  0.00584258  0.0449252   -0.0580081  390 HOH   B O    
4060 O O    . HOH   E .   ? 0.750657 0.355491 0.778811  0.105739    0.0317295   0.078482    391 HOH   B O    
4061 O O    . HOH   E .   ? 0.513875 0.497633 0.462823  0.0239242   -0.0789183  -0.0462312  392 HOH   B O    
4062 O O    . HOH   E .   ? 0.332662 0.795318 0.424997  -0.0180799  -0.0193987  0.385485    393 HOH   B O    
4063 O O    . HOH   E .   ? 0.482364 0.469682 0.294082  0.0659361   -0.0412284  0.115763    394 HOH   B O    
4064 O O    . HOH   E .   ? 0.378609 0.405698 0.529901  0.00334199  -0.0227079  -0.0449909  395 HOH   B O    
4065 O O    . HOH   E .   ? 0.420715 0.495322 0.415946  0.0526939   -0.0773888  0.0638341   396 HOH   B O    
4066 O O    . HOH   E .   ? 0.527553 0.443418 0.346143  0.115825    -0.212117   -0.0160611  397 HOH   B O    
4067 O O    . HOH   E .   ? 1.17352  0.48054  0.510169  -0.20833    -0.297183   0.00081169  398 HOH   B O    
4068 O O    . HOH   E .   ? 0.456594 0.502112 0.388411  0.115574    -0.0144979  0.0164228   399 HOH   B O    
4069 O O    . HOH   E .   ? 0.615572 0.461692 1.07765   0.0214649   -0.0602835  -0.161192   400 HOH   B O    
4070 O O    . HOH   E .   ? 0.386206 0.420877 0.425593  -0.03809    0.0313274   0.0560893   401 HOH   B O    
4071 O O    . HOH   E .   ? 0.586906 0.386732 0.358464  0.0617829   -0.00677761 -0.0115655  402 HOH   B O    
4072 O O    . HOH   E .   ? 0.578588 0.475424 0.354068  0.037351    0.0206766   -0.105193   403 HOH   B O    
4073 O O    . HOH   E .   ? 0.618381 0.589141 0.446397  -0.00182101 -0.0797283  0.129779    404 HOH   B O    
4074 O O    . HOH   E .   ? 0.437839 0.273929 0.321744  -0.00440409 0.0190295   0.0361626   405 HOH   B O    
4075 O O    . HOH   E .   ? 0.432831 0.405813 0.380442  0.00301365  -0.0296481  -0.0252324  406 HOH   B O    
4076 O O    . HOH   E .   ? 0.427313 0.480588 0.288268  -0.029392   0.0308439   0.0302736   407 HOH   B O    
4077 O O    . HOH   E .   ? 0.797144 0.911761 0.433376  0.0140049   -0.21301    -0.344873   408 HOH   B O    
4078 O O    . HOH   E .   ? 0.857603 0.590623 0.494264  0.136168    0.260644    -0.0973763  409 HOH   B O    
4079 O O    . HOH   E .   ? 0.443872 0.772275 0.53076   -0.0160629  0.110358    0.142935    410 HOH   B O    
4080 O O    . HOH   E .   ? 0.81658  0.668227 0.538084  -0.057476   0.130949    -0.197272   411 HOH   B O    
4081 O O    . HOH   E .   ? 0.306289 0.379688 0.469528  0.0372315   -0.0722767  -0.0591595  412 HOH   B O    
4082 O O    . HOH   E .   ? 0.423035 0.494214 0.49582   0.0400208   0.0591918   -0.0587224  413 HOH   B O    
4083 O O    . HOH   E .   ? 0.48074  0.458208 0.31806   0.0186387   0.0535719   -0.103522   414 HOH   B O    
4084 O O    . HOH   E .   ? 0.547217 0.569029 0.568163  0.0385873   0.0159853   0.0337517   415 HOH   B O    
4085 O O    . HOH   E .   ? 0.492661 0.520817 0.376349  0.144543    -0.12531    -0.107988   416 HOH   B O    
4086 O O    . HOH   E .   ? 0.751385 0.610453 0.28994   -0.0916922  0.0475881   -0.15453    417 HOH   B O    
4087 O O    . HOH   E .   ? 0.65417  0.75749  0.340258  -0.225012   0.0184197   0.00150461  418 HOH   B O    
4088 O O    . HOH   E .   ? 0.243531 0.422587 0.282377  -0.0280027  0.0632831   -0.0786893  419 HOH   B O    
4089 O O    . HOH   E .   ? 0.457278 0.490004 0.388765  0.0455443   0.0636408   0.072977    420 HOH   B O    
4090 O O    . HOH   E .   ? 0.886411 0.839587 0.32617   -0.0624285  -0.00040022 -0.217526   421 HOH   B O    
4091 O O    . HOH   E .   ? 1.10116  0.708509 0.433472  0.0636241   0.0680444   0.0355804   422 HOH   B O    
4092 O O    . HOH   E .   ? 0.527142 0.452435 0.36769   0.0139815   -0.0214665  -0.0253398  423 HOH   B O    
4093 O O    . HOH   E .   ? 0.46456  0.514439 0.365516  -0.0276131  -0.0608628  0.011627    424 HOH   B O    
4094 O O    . HOH   F .   ? 0.577476 0.393937 0.291805  0.135064    -0.110342   -0.103265   301 HOH   A O    
4095 O O    . HOH   F .   ? 0.328355 0.490002 0.231875  -0.0781029  0.0623686   0.0426419   302 HOH   A O    
4096 O O    . HOH   F .   ? 0.472417 0.369259 0.532911  0.0863927   -0.118667   -0.037734   303 HOH   A O    
4097 O O    . HOH   F .   ? 0.792992 1.42924  0.915164  0.708845    0.0601431   0.33131     304 HOH   A O    
4098 O O    . HOH   F .   ? 0.419612 0.685691 0.504613  0.0516942   0.0582306   0.201253    305 HOH   A O    
4099 O O    . HOH   F .   ? 0.489187 0.436235 0.401137  0.00400825  0.154721    0.104601    306 HOH   A O    
4100 O O    . HOH   F .   ? 0.401105 0.381966 0.539871  0.0637157   -0.190478   -0.0747059  307 HOH   A O    
4101 O O    . HOH   F .   ? 0.434776 0.397623 0.50214   0.0181768   -0.0725676  0.0429598   308 HOH   A O    
4102 O O    . HOH   F .   ? 0.467667 0.431182 0.269485  0.0219008   0.0048454   -0.126337   309 HOH   A O    
4103 O O    . HOH   F .   ? 0.40149  0.465403 0.436084  0.122757    0.042469    0.0938788   310 HOH   A O    
4104 O O    . HOH   F .   ? 0.751741 0.875636 1.25455   0.235603    0.0303501   -0.278743   311 HOH   A O    
4105 O O    . HOH   F .   ? 0.343979 0.655489 0.510899  0.19821     -0.0239366  0.132975    312 HOH   A O    
4106 O O    . HOH   F .   ? 0.449611 0.311565 0.497502  0.00253708  0.0341861   0.0143527   313 HOH   A O    
4107 O O    . HOH   F .   ? 0.483938 0.672706 0.480478  0.228837    0.154509    0.252165    314 HOH   A O    
4108 O O    . HOH   F .   ? 0.551911 0.328271 0.241113  -0.0312686  0.0458986   -0.00476907 315 HOH   A O    
4109 O O    . HOH   F .   ? 0.420621 0.533993 0.49452   0.0495799   -0.0286825  0.296488    316 HOH   A O    
4110 O O    . HOH   F .   ? 0.254551 0.665372 0.416461  0.149477    0.0290252   -0.00387154 317 HOH   A O    
4111 O O    . HOH   F .   ? 0.307074 0.275243 0.389549  0.100338    -0.0133019  0.0843116   318 HOH   A O    
4112 O O    . HOH   F .   ? 0.591095 0.340363 0.554935  -0.0205321  -0.0166415  0.0683454   319 HOH   A O    
4113 O O    . HOH   F .   ? 0.383293 0.247319 0.402671  0.103468    -0.178149   -0.0907473  320 HOH   A O    
4114 O O    . HOH   F .   ? 0.492423 0.548574 0.255841  0.130304    0.0895971   0.188221    321 HOH   A O    
4115 O O    . HOH   F .   ? 0.320456 0.371815 0.584517  0.0744511   -0.13107    -0.0368529  322 HOH   A O    
4116 O O    . HOH   F .   ? 0.616047 0.745556 0.568366  -0.110932   0.113107    0.083403    323 HOH   A O    
4117 O O    . HOH   F .   ? 0.874972 0.47344  0.264085  0.173346    -0.0568443  -0.0479384  324 HOH   A O    
4118 O O    . HOH   F .   ? 0.495117 0.491496 0.522275  -0.0746851  0.0924679   -0.115064   325 HOH   A O    
4119 O O    . HOH   F .   ? 0.495453 0.4563   0.549021  -0.0822077  -0.0276463  0.078043    326 HOH   A O    
4120 O O    . HOH   F .   ? 0.453169 0.61959  0.494575  0.167975    0.128537    0.0374649   327 HOH   A O    
4121 O O    . HOH   F .   ? 0.531778 0.461128 0.283481  0.139729    -0.129658   -0.0074136  328 HOH   A O    
4122 O O    . HOH   F .   ? 0.239315 0.278453 0.147179  -0.0380505  0.031219    -0.0109415  329 HOH   A O    
4123 O O    . HOH   F .   ? 0.834736 0.316047 0.503925  0.22635     -0.109826   -0.0718056  330 HOH   A O    
4124 O O    . HOH   F .   ? 0.197538 0.302305 0.181056  0.00634359  0.0317859   -0.0236054  331 HOH   A O    
4125 O O    . HOH   F .   ? 0.532767 0.299263 0.393005  0.0438761   -0.121977   -0.0684663  332 HOH   A O    
4126 O O    . HOH   F .   ? 0.340223 0.336602 0.398525  -0.0188409  -0.0488808  0.104057    333 HOH   A O    
4127 O O    . HOH   F .   ? 0.435709 0.313442 0.328852  0.125657    -0.119368   -0.0767094  334 HOH   A O    
4128 O O    . HOH   F .   ? 0.244719 0.218261 0.216411  0.039377    0.0259713   0.00304576  335 HOH   A O    
4129 O O    . HOH   F .   ? 0.42385  0.356471 0.475003  0.0420794   -0.0897628  -0.0142358  336 HOH   A O    
4130 O O    . HOH   F .   ? 0.642341 0.532788 0.442836  -0.0693291  0.0554173   -0.0560831  337 HOH   A O    
4131 O O    . HOH   F .   ? 0.531337 0.26643  0.285476  -0.032861   0.0767848   0.0121711   338 HOH   A O    
4132 O O    . HOH   F .   ? 0.553979 0.312583 0.417673  0.0612951   -0.00385834 0.033355    339 HOH   A O    
4133 O O    . HOH   F .   ? 0.488856 0.315856 0.315627  -0.0547545  -0.0497446  -0.0523658  340 HOH   A O    
4134 O O    . HOH   F .   ? 0.260926 0.239661 0.188484  0.0407556   0.0219267   -0.0125948  341 HOH   A O    
4135 O O    . HOH   F .   ? 0.775253 0.406436 0.429823  -0.0460249  0.0224243   -0.0752217  342 HOH   A O    
4136 O O    . HOH   F .   ? 0.357059 0.263396 0.277345  0.122989    -0.0426784  0.0130568   343 HOH   A O    
4137 O O    . HOH   F .   ? 0.265524 0.230856 0.154411  -0.0218061  0.0248429   -0.0344547  344 HOH   A O    
4138 O O    . HOH   F .   ? 0.456235 0.29317  0.337047  0.121158    0.133052    0.00608712  345 HOH   A O    
4139 O O    . HOH   F .   ? 0.40719  0.249544 0.219259  0.017657    0.0971845   -0.00779109 346 HOH   A O    
4140 O O    . HOH   F .   ? 0.366304 0.390293 0.275491  -0.00530599 0.00409123  0.080454    347 HOH   A O    
4141 O O    . HOH   F .   ? 0.280636 0.466801 0.226956  0.0762073   0.0274797   0.118267    348 HOH   A O    
4142 O O    . HOH   F .   ? 0.457597 0.369908 0.34994   0.129761    0.0940385   0.0312075   349 HOH   A O    
4143 O O    . HOH   F .   ? 0.539766 0.350989 0.363035  0.128614    -0.165077   -0.0151975  350 HOH   A O    
4144 O O    . HOH   F .   ? 0.639634 0.401844 0.537807  0.228623    -0.0702012  -0.0396324  351 HOH   A O    
4145 O O    . HOH   F .   ? 0.366756 0.283337 0.346823  0.0619479   -0.0379718  -0.00015962 352 HOH   A O    
4146 O O    . HOH   F .   ? 0.649981 0.657921 0.446503  0.199764    0.00840022  0.0526691   353 HOH   A O    
4147 O O    . HOH   F .   ? 0.502672 0.775984 0.286986  -0.183836   -0.0552726  0.162153    354 HOH   A O    
4148 O O    . HOH   F .   ? 0.329838 0.591376 0.275135  -0.10604    -0.08187    0.105219    355 HOH   A O    
4149 O O    . HOH   F .   ? 0.459256 0.542091 0.367065  -0.12569    -0.00180525 0.00107582  356 HOH   A O    
4150 O O    . HOH   F .   ? 0.562246 0.641265 0.269305  0.047282    0.0218721   0.0693558   357 HOH   A O    
4151 O O    . HOH   F .   ? 0.458087 0.442239 0.55169   0.217207    0.147077    0.0856738   358 HOH   A O    
4152 O O    . HOH   F .   ? 0.684511 0.901447 0.383325  -0.231633   -0.00334372 0.093955    359 HOH   A O    
4153 O O    . HOH   F .   ? 0.783662 0.373166 0.341371  0.224002    -0.0597114  -0.115209   360 HOH   A O    
4154 O O    . HOH   F .   ? 0.381358 0.434909 0.216481  0.131666    0.0492649   0.0375847   361 HOH   A O    
4155 O O    . HOH   F .   ? 0.419907 0.411672 0.437114  0.107886    -0.0200486  0.0617107   362 HOH   A O    
4156 O O    . HOH   F .   ? 0.450703 0.473422 0.487193  0.0422368   0.0173577   -0.0707205  363 HOH   A O    
4157 O O    . HOH   F .   ? 0.341761 0.380195 0.429583  0.0493582   0.0442157   0.0734057   364 HOH   A O    
4158 O O    . HOH   F .   ? 0.588778 0.358585 0.561077  0.0158187   -0.113548   -0.0538931  365 HOH   A O    
4159 O O    . HOH   F .   ? 0.461452 0.542421 0.453573  -0.0580151  0.0566427   0.0480733   366 HOH   A O    
4160 O O    . HOH   F .   ? 0.348414 0.641526 0.274963  0.0907084   0.0319478   0.206725    367 HOH   A O    
4161 O O    . HOH   F .   ? 0.560663 0.475276 0.629483  -0.0914289  0.0196866   -0.024978   368 HOH   A O    
4162 O O    . HOH   F .   ? 0.272151 0.312691 0.198034  -0.0213978  0.014241    0.014739    369 HOH   A O    
4163 O O    . HOH   F .   ? 0.609043 0.410566 0.429208  -0.00074092 0.177904    -0.0436178  370 HOH   A O    
4164 O O    . HOH   F .   ? 0.448508 0.405666 0.380844  0.153488    -0.0303512  -0.0366809  371 HOH   A O    
4165 O O    . HOH   F .   ? 0.427299 0.669989 0.661161  -0.203026   0.11355     -0.0949231  372 HOH   A O    
4166 O O    . HOH   F .   ? 0.574251 0.881796 0.382202  -0.0916106  -0.10998    0.190234    373 HOH   A O    
4167 O O    . HOH   F .   ? 0.787281 0.749028 0.263486  0.0646057   -0.115493   0.0408692   374 HOH   A O    
4168 O O    . HOH   F .   ? 0.343457 0.328956 0.21246   0.00379445  0.0296283   0.0375001   375 HOH   A O    
4169 O O    . HOH   F .   ? 0.525212 0.600259 0.363635  -0.108303   0.177664    -0.00615889 376 HOH   A O    
4170 O O    . HOH   F .   ? 0.769092 0.817305 0.456967  0.164954    0.0202485   0.127423    377 HOH   A O    
4171 O O    . HOH   F .   ? 0.604623 0.398083 0.455818  0.061129    0.0615218   -0.12157    378 HOH   A O    
4172 O O    . HOH   F .   ? 0.780481 0.412649 0.648564  -0.135175   -0.0780158  -0.140127   379 HOH   A O    
4173 O O    . HOH   F .   ? 0.668611 0.537948 0.737117  0.0633477   0.121652    0.103706    380 HOH   A O    
4174 O O    . HOH   F .   ? 0.582921 0.498365 0.497943  0.0799074   0.0617517   0.0199401   381 HOH   A O    
4175 O O    . HOH   F .   ? 0.775624 0.849422 0.667757  0.0394406   0.0203563   -0.160572   382 HOH   A O    
4176 O O    . HOH   F .   ? 0.549669 0.312695 0.648085  0.0118469   -0.00038084 0.123167    383 HOH   A O    
4177 O O    . HOH   F .   ? 0.804478 1.38659  0.390015  0.378278    -0.0828858  -0.315318   384 HOH   A O    
4178 O O    . HOH   F .   ? 0.393032 0.282231 0.386651  0.0701299   -0.0502619  -0.00322429 385 HOH   A O    
4179 O O    . HOH   F .   ? 0.595627 0.472237 0.391312  -0.0133723  0.00324231  0.172676    386 HOH   A O    
4180 O O    . HOH   F .   ? 0.4676   0.689378 0.330346  -0.134381   0.0721531   0.11331     387 HOH   A O    
4181 O O    . HOH   F .   ? 0.51575  0.35666  0.380215  0.122252    -0.106612   -0.0299482  388 HOH   A O    
4182 O O    . HOH   F .   ? 0.643777 0.412517 0.392729  0.232979    0.0971187   0.101509    389 HOH   A O    
4183 O O    . HOH   F .   ? 0.465592 0.443252 0.948682  -0.0724133  -0.228432   -0.0292689  390 HOH   A O    
4184 O O    . HOH   F .   ? 0.487217 0.571958 0.437462  0.0171939   -0.0542427  -0.0586109  391 HOH   A O    
4185 O O    . HOH   F .   ? 0.63554  0.586397 0.436526  0.174922    0.0124792   0.179606    392 HOH   A O    
4186 O O    . HOH   F .   ? 0.504541 0.326963 0.34277   -0.0784142  -0.178217   0.0707483   393 HOH   A O    
4187 O O    . HOH   F .   ? 0.565418 0.318937 0.402719  0.0533355   -0.0338744  -0.0544935  394 HOH   A O    
4188 O O    . HOH   F .   ? 0.439151 0.833987 0.451101  0.181423    0.0814009   0.300645    395 HOH   A O    
4189 O O    . HOH   F .   ? 0.290721 0.599726 0.340375  0.0460737   0.0188902   -0.0611046  396 HOH   A O    
4190 O O    . HOH   F .   ? 0.279526 0.3141   0.189499  0.0181801   -0.0293115  0.00081994  397 HOH   A O    
4191 O O    . HOH   F .   ? 0.41511  0.484812 0.630846  0.0607124   0.0651726   0.118133    398 HOH   A O    
4192 O O    . HOH   F .   ? 0.551712 0.35368  0.439824  -0.0925621  -0.0292985  0.01415     399 HOH   A O    
4193 O O    . HOH   F .   ? 0.492011 0.483969 0.511504  0.0543878   0.0382327   -0.0140021  400 HOH   A O    
4194 O O    . HOH   F .   ? 0.582956 0.520816 0.522429  -0.0002019  0.0545153   0.0287309   401 HOH   A O    
4195 O O    . HOH   F .   ? 0.357804 0.297081 0.209555  0.00958235  -0.100835   0.00456262  402 HOH   A O    
# 
