data_9GPW
# 
_entry.id   9GPW 
# 
_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   9GPW         pdb_00009gpw 10.2210/pdb9gpw/pdb 
WWPDB D_1292141193 ?            ?                   
# 
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                        9GPW 
_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 
;2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone
;
568.704   2   ?       ?                    ? ? 
3 water       nat water 18.015    100 ?       ?                    ? ? 
# 
_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 
;2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone
;
A1INW 
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 
A1INW non-polymer         . 
;2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone
;
? 'C31 H44 N4 O6'  568.704 
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        A1INW 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1INW 
_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 A1INW 1  201 201 A1INW DRG B . 
D 2 A1INW 1  201 201 A1INW DRG A . 
E 3 HOH   1  301 101 HOH   HOH B . 
E 3 HOH   2  302 85  HOH   HOH B . 
E 3 HOH   3  303 58  HOH   HOH B . 
E 3 HOH   4  304 5   HOH   HOH B . 
E 3 HOH   5  305 22  HOH   HOH B . 
E 3 HOH   6  306 15  HOH   HOH B . 
E 3 HOH   7  307 70  HOH   HOH B . 
E 3 HOH   8  308 7   HOH   HOH B . 
E 3 HOH   9  309 95  HOH   HOH B . 
E 3 HOH   10 310 93  HOH   HOH B . 
E 3 HOH   11 311 54  HOH   HOH B . 
E 3 HOH   12 312 90  HOH   HOH B . 
E 3 HOH   13 313 73  HOH   HOH B . 
E 3 HOH   14 314 31  HOH   HOH B . 
E 3 HOH   15 315 46  HOH   HOH B . 
E 3 HOH   16 316 17  HOH   HOH B . 
E 3 HOH   17 317 57  HOH   HOH B . 
E 3 HOH   18 318 19  HOH   HOH B . 
E 3 HOH   19 319 11  HOH   HOH B . 
E 3 HOH   20 320 49  HOH   HOH B . 
E 3 HOH   21 321 86  HOH   HOH B . 
E 3 HOH   22 322 8   HOH   HOH B . 
E 3 HOH   23 323 35  HOH   HOH B . 
E 3 HOH   24 324 26  HOH   HOH B . 
E 3 HOH   25 325 33  HOH   HOH B . 
E 3 HOH   26 326 4   HOH   HOH B . 
E 3 HOH   27 327 83  HOH   HOH B . 
E 3 HOH   28 328 18  HOH   HOH B . 
E 3 HOH   29 329 2   HOH   HOH B . 
E 3 HOH   30 330 51  HOH   HOH B . 
E 3 HOH   31 331 60  HOH   HOH B . 
E 3 HOH   32 332 65  HOH   HOH B . 
E 3 HOH   33 333 40  HOH   HOH B . 
E 3 HOH   34 334 14  HOH   HOH B . 
E 3 HOH   35 335 69  HOH   HOH B . 
E 3 HOH   36 336 88  HOH   HOH B . 
E 3 HOH   37 337 76  HOH   HOH B . 
E 3 HOH   38 338 89  HOH   HOH B . 
E 3 HOH   39 339 92  HOH   HOH B . 
E 3 HOH   40 340 80  HOH   HOH B . 
F 3 HOH   1  301 102 HOH   HOH A . 
F 3 HOH   2  302 36  HOH   HOH A . 
F 3 HOH   3  303 75  HOH   HOH A . 
F 3 HOH   4  304 53  HOH   HOH A . 
F 3 HOH   5  305 61  HOH   HOH A . 
F 3 HOH   6  306 28  HOH   HOH A . 
F 3 HOH   7  307 37  HOH   HOH A . 
F 3 HOH   8  308 63  HOH   HOH A . 
F 3 HOH   9  309 16  HOH   HOH A . 
F 3 HOH   10 310 43  HOH   HOH A . 
F 3 HOH   11 311 23  HOH   HOH A . 
F 3 HOH   12 312 32  HOH   HOH A . 
F 3 HOH   13 313 52  HOH   HOH A . 
F 3 HOH   14 314 68  HOH   HOH A . 
F 3 HOH   15 315 9   HOH   HOH A . 
F 3 HOH   16 316 81  HOH   HOH A . 
F 3 HOH   17 317 100 HOH   HOH A . 
F 3 HOH   18 318 55  HOH   HOH A . 
F 3 HOH   19 319 98  HOH   HOH A . 
F 3 HOH   20 320 72  HOH   HOH A . 
F 3 HOH   21 321 47  HOH   HOH A . 
F 3 HOH   22 322 62  HOH   HOH A . 
F 3 HOH   23 323 74  HOH   HOH A . 
F 3 HOH   24 324 79  HOH   HOH A . 
F 3 HOH   25 325 59  HOH   HOH A . 
F 3 HOH   26 326 39  HOH   HOH A . 
F 3 HOH   27 327 27  HOH   HOH A . 
F 3 HOH   28 328 44  HOH   HOH A . 
F 3 HOH   29 329 10  HOH   HOH A . 
F 3 HOH   30 330 20  HOH   HOH A . 
F 3 HOH   31 331 45  HOH   HOH A . 
F 3 HOH   32 332 13  HOH   HOH A . 
F 3 HOH   33 333 29  HOH   HOH A . 
F 3 HOH   34 334 48  HOH   HOH A . 
F 3 HOH   35 335 21  HOH   HOH A . 
F 3 HOH   36 336 67  HOH   HOH A . 
F 3 HOH   37 337 41  HOH   HOH A . 
F 3 HOH   38 338 56  HOH   HOH A . 
F 3 HOH   39 339 30  HOH   HOH A . 
F 3 HOH   40 340 84  HOH   HOH A . 
F 3 HOH   41 341 71  HOH   HOH A . 
F 3 HOH   42 342 6   HOH   HOH A . 
F 3 HOH   43 343 24  HOH   HOH A . 
F 3 HOH   44 344 12  HOH   HOH A . 
F 3 HOH   45 345 42  HOH   HOH A . 
F 3 HOH   46 346 82  HOH   HOH A . 
F 3 HOH   47 347 25  HOH   HOH A . 
F 3 HOH   48 348 91  HOH   HOH A . 
F 3 HOH   49 349 94  HOH   HOH A . 
F 3 HOH   50 350 103 HOH   HOH A . 
F 3 HOH   51 351 66  HOH   HOH A . 
F 3 HOH   52 352 87  HOH   HOH A . 
F 3 HOH   53 353 50  HOH   HOH A . 
F 3 HOH   54 354 64  HOH   HOH A . 
F 3 HOH   55 355 99  HOH   HOH A . 
F 3 HOH   56 356 77  HOH   HOH A . 
F 3 HOH   57 357 96  HOH   HOH A . 
F 3 HOH   58 358 97  HOH   HOH A . 
F 3 HOH   59 359 34  HOH   HOH A . 
F 3 HOH   60 360 78  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 GLU 20  ? CG  ? A GLU 8   CG  
2   1 Y 1 B GLU 20  ? CD  ? A GLU 8   CD  
3   1 Y 1 B GLU 20  ? OE1 ? A GLU 8   OE1 
4   1 Y 1 B GLU 20  ? OE2 ? A GLU 8   OE2 
5   1 Y 1 B ASN 42  ? CG  ? A ASN 30  CG  
6   1 Y 1 B ASN 42  ? OD1 ? A ASN 30  OD1 
7   1 Y 1 B ASN 42  ? ND2 ? A ASN 30  ND2 
8   1 Y 1 B GLU 44  ? CG  ? A GLU 32  CG  
9   1 Y 1 B GLU 44  ? CD  ? A GLU 32  CD  
10  1 Y 1 B GLU 44  ? OE1 ? A GLU 32  OE1 
11  1 Y 1 B GLU 44  ? OE2 ? A GLU 32  OE2 
12  1 Y 1 B GLU 45  ? CG  ? A GLU 33  CG  
13  1 Y 1 B GLU 45  ? CD  ? A GLU 33  CD  
14  1 Y 1 B GLU 45  ? OE1 ? A GLU 33  OE1 
15  1 Y 1 B GLU 45  ? OE2 ? A GLU 33  OE2 
16  1 Y 1 B LYS 58  ? CG  ? A LYS 46  CG  
17  1 Y 1 B LYS 58  ? CD  ? A LYS 46  CD  
18  1 Y 1 B LYS 58  ? CE  ? A LYS 46  CE  
19  1 Y 1 B LYS 58  ? NZ  ? A LYS 46  NZ  
20  1 Y 1 B LYS 60  ? CE  ? A LYS 48  CE  
21  1 Y 1 B LYS 60  ? NZ  ? A LYS 48  NZ  
22  1 Y 1 B ASN 63  ? CG  ? A ASN 51  CG  
23  1 Y 1 B ASN 63  ? OD1 ? A ASN 51  OD1 
24  1 Y 1 B ASN 63  ? ND2 ? A ASN 51  ND2 
25  1 Y 1 B LYS 65  ? CG  ? A LYS 53  CG  
26  1 Y 1 B LYS 65  ? CD  ? A LYS 53  CD  
27  1 Y 1 B LYS 65  ? CE  ? A LYS 53  CE  
28  1 Y 1 B LYS 65  ? NZ  ? A LYS 53  NZ  
29  1 Y 1 B LYS 66  ? CG  ? A LYS 54  CG  
30  1 Y 1 B LYS 66  ? CD  ? A LYS 54  CD  
31  1 Y 1 B LYS 66  ? CE  ? A LYS 54  CE  
32  1 Y 1 B LYS 66  ? NZ  ? A LYS 54  NZ  
33  1 Y 1 B PHE 67  ? CG  ? A PHE 55  CG  
34  1 Y 1 B PHE 67  ? CD1 ? A PHE 55  CD1 
35  1 Y 1 B PHE 67  ? CD2 ? A PHE 55  CD2 
36  1 Y 1 B PHE 67  ? CE1 ? A PHE 55  CE1 
37  1 Y 1 B PHE 67  ? CE2 ? A PHE 55  CE2 
38  1 Y 1 B PHE 67  ? CZ  ? A PHE 55  CZ  
39  1 Y 1 B ASN 74  ? CG  ? A ASN 62  CG  
40  1 Y 1 B ASN 74  ? OD1 ? A ASN 62  OD1 
41  1 Y 1 B ASN 74  ? ND2 ? A ASN 62  ND2 
42  1 Y 1 B LYS 83  ? CG  ? A LYS 71  CG  
43  1 Y 1 B LYS 83  ? CD  ? A LYS 71  CD  
44  1 Y 1 B LYS 83  ? CE  ? A LYS 71  CE  
45  1 Y 1 B LYS 83  ? NZ  ? A LYS 71  NZ  
46  1 Y 1 B LYS 88  ? CG  ? A LYS 76  CG  
47  1 Y 1 B LYS 88  ? CD  ? A LYS 76  CD  
48  1 Y 1 B LYS 88  ? CE  ? A LYS 76  CE  
49  1 Y 1 B LYS 88  ? NZ  ? A LYS 76  NZ  
50  1 Y 1 B LYS 98  ? CG  ? A LYS 86  CG  
51  1 Y 1 B LYS 98  ? CD  ? A LYS 86  CD  
52  1 Y 1 B LYS 98  ? CE  ? A LYS 86  CE  
53  1 Y 1 B LYS 98  ? NZ  ? A LYS 86  NZ  
54  1 Y 1 B LYS 138 ? CG  ? A LYS 126 CG  
55  1 Y 1 B LYS 138 ? CD  ? A LYS 126 CD  
56  1 Y 1 B LYS 138 ? CE  ? A LYS 126 CE  
57  1 Y 1 B LYS 138 ? NZ  ? A LYS 126 NZ  
58  1 Y 1 B GLU 140 ? CG  ? A GLU 128 CG  
59  1 Y 1 B GLU 140 ? CD  ? A GLU 128 CD  
60  1 Y 1 B GLU 140 ? OE1 ? A GLU 128 OE1 
61  1 Y 1 B GLU 140 ? OE2 ? A GLU 128 OE2 
62  1 Y 1 A GLU 20  ? CG  ? B GLU 8   CG  
63  1 Y 1 A GLU 20  ? CD  ? B GLU 8   CD  
64  1 Y 1 A GLU 20  ? OE1 ? B GLU 8   OE1 
65  1 Y 1 A GLU 20  ? OE2 ? B GLU 8   OE2 
66  1 Y 1 A GLN 21  ? CG  ? B GLN 9   CG  
67  1 Y 1 A GLN 21  ? CD  ? B GLN 9   CD  
68  1 Y 1 A GLN 21  ? OE1 ? B GLN 9   OE1 
69  1 Y 1 A GLN 21  ? NE2 ? B GLN 9   NE2 
70  1 Y 1 A GLU 23  ? CG  ? B GLU 11  CG  
71  1 Y 1 A GLU 23  ? CD  ? B GLU 11  CD  
72  1 Y 1 A GLU 23  ? OE1 ? B GLU 11  OE1 
73  1 Y 1 A GLU 23  ? OE2 ? B GLU 11  OE2 
74  1 Y 1 A GLU 44  ? CG  ? B GLU 32  CG  
75  1 Y 1 A GLU 44  ? CD  ? B GLU 32  CD  
76  1 Y 1 A GLU 44  ? OE1 ? B GLU 32  OE1 
77  1 Y 1 A GLU 44  ? OE2 ? B GLU 32  OE2 
78  1 Y 1 A GLU 45  ? CG  ? B GLU 33  CG  
79  1 Y 1 A GLU 45  ? CD  ? B GLU 33  CD  
80  1 Y 1 A GLU 45  ? OE1 ? B GLU 33  OE1 
81  1 Y 1 A GLU 45  ? OE2 ? B GLU 33  OE2 
82  1 Y 1 A LYS 52  ? CE  ? B LYS 40  CE  
83  1 Y 1 A LYS 52  ? NZ  ? B LYS 40  NZ  
84  1 Y 1 A ASN 63  ? CG  ? B ASN 51  CG  
85  1 Y 1 A ASN 63  ? OD1 ? B ASN 51  OD1 
86  1 Y 1 A ASN 63  ? ND2 ? B ASN 51  ND2 
87  1 Y 1 A LYS 65  ? CG  ? B LYS 53  CG  
88  1 Y 1 A LYS 65  ? CD  ? B LYS 53  CD  
89  1 Y 1 A LYS 65  ? CE  ? B LYS 53  CE  
90  1 Y 1 A LYS 65  ? NZ  ? B LYS 53  NZ  
91  1 Y 1 A LYS 66  ? CG  ? B LYS 54  CG  
92  1 Y 1 A LYS 66  ? CD  ? B LYS 54  CD  
93  1 Y 1 A LYS 66  ? CE  ? B LYS 54  CE  
94  1 Y 1 A LYS 66  ? NZ  ? B LYS 54  NZ  
95  1 Y 1 A ASP 72  ? CG  ? B ASP 60  CG  
96  1 Y 1 A ASP 72  ? OD1 ? B ASP 60  OD1 
97  1 Y 1 A ASP 72  ? OD2 ? B ASP 60  OD2 
98  1 Y 1 A LYS 83  ? CG  ? B LYS 71  CG  
99  1 Y 1 A LYS 83  ? CD  ? B LYS 71  CD  
100 1 Y 1 A LYS 83  ? CE  ? B LYS 71  CE  
101 1 Y 1 A LYS 83  ? NZ  ? B LYS 71  NZ  
102 1 Y 1 A LYS 88  ? CG  ? B LYS 76  CG  
103 1 Y 1 A LYS 88  ? CD  ? B LYS 76  CD  
104 1 Y 1 A LYS 88  ? CE  ? B LYS 76  CE  
105 1 Y 1 A LYS 88  ? NZ  ? B LYS 76  NZ  
106 1 Y 1 A LYS 138 ? CG  ? B LYS 126 CG  
107 1 Y 1 A LYS 138 ? CD  ? B LYS 126 CD  
108 1 Y 1 A LYS 138 ? CE  ? B LYS 126 CE  
109 1 Y 1 A LYS 138 ? NZ  ? B LYS 126 NZ  
110 1 Y 1 A GLU 140 ? CG  ? B GLU 128 CG  
111 1 Y 1 A GLU 140 ? CD  ? B GLU 128 CD  
112 1 Y 1 A GLU 140 ? OE1 ? B GLU 128 OE1 
113 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  ? ? ? 5.8.0425 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                     9GPW 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     49.027 
_cell.length_a_esd                 ? 
_cell.length_b                     49.027 
_cell.length_b_esd                 ? 
_cell.length_c                     195.66 
_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                         9GPW 
_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                   9GPW 
_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          49.25 
_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    '18% 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         2024-06-26 
_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                                       9GPW 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.74 
_reflns.d_resolution_low                               48.92 
_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                                     29166 
_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                           100.0 
_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                          19.5 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.02 
_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                                0.060 
_reflns.pdbx_Rpim_I_all                                0.024 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.000 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.055 
_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 
9.04 48.92 ? 61.6 ? ? ? ? 278  ? ? ? ? ? ? ? ? ? ? ? 8.8  0.73 ? ? 0.024 0.010 ? 1 ? 1.000 ? ? 99.7 ? 0.022 ? ? ? ? ? ? ? ? ? 
1.74 1.77  ? 1.5  ? ? ? ? 1552 ? ? ? ? ? ? ? ? ? ? ? 10.2 1.08 ? ? 1.636 0.696 ? 2 ? 0.635 ? ? 99.7 ? 1.476 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            -0.477 
_refine.aniso_B[1][2]                            -0.238 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.477 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            1.546 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               39.378 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.952 
_refine.correlation_coeff_Fo_to_Fc_free          0.940 
_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                                 9GPW 
_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                            1.740 
_refine.ls_d_res_low                             42.495 
_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                     29094 
_refine.ls_number_reflns_R_free                  1498 
_refine.ls_number_reflns_R_work                  27596 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.959 
_refine.ls_percent_reflns_R_free                 5.149 
_refine.ls_R_factor_all                          0.224 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2569 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2223 
_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                       0.128 
_refine.pdbx_overall_ESU_R_Free                  0.124 
_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                             6.730 
_refine.overall_SU_ML                            0.104 
_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                       1.740 
_refine_hist.d_res_low                        42.495 
_refine_hist.number_atoms_solvent             100 
_refine_hist.number_atoms_total               2043 
_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        1861 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         82 
_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' ? 0.014  0.012  1990 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1841 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 2.104  1.821  2699 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.734  1.738  4283 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 8.385  5.000  254  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 24.919 13.333 18   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.232 10.000 296  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.113 10.000 64   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.114  0.200  300  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.013  0.020  2269 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  403  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.207  0.200  350  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.199  0.200  1623 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.181  0.200  1004 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.091  0.200  1036 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.129  0.200  96   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.107  0.200  6    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.133  0.200  22   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.238  0.200  10   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.726  2.124  1022 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.723  2.124  1022 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.557  3.807  1274 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.556  3.809  1275 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.856  2.197  968  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.855  2.196  969  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.909  3.959  1425 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.908  3.958  1426 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.143  20.470 2169 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.139  20.143 2150 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 0.116  0.050  3487 ? 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 ? ? 0.11615 ? 0.05007 1 'Local ncs' ? B ? ? ? 1 
'X-RAY DIFFRACTION' 2 ? ? 0.11615 ? 0.05007 2 'Local ncs' ? B ? ? ? 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' 1.740 1.785  2095 . 106 1985 99.8091  . 0.303 . . 0.301 . . . . . 0.296 . 20 . 0.931 0.923 0.334 
'X-RAY DIFFRACTION' 1.785 1.834  2045 . 113 1932 100.0000 . 0.262 . . 0.260 . . . . . 0.249 . 20 . 0.951 0.940 0.311 
'X-RAY DIFFRACTION' 1.834 1.887  2025 . 91  1934 100.0000 . 0.253 . . 0.251 . . . . . 0.236 . 20 . 0.954 0.939 0.294 
'X-RAY DIFFRACTION' 1.887 1.945  1918 . 92  1826 100.0000 . 0.220 . . 0.219 . . . . . 0.200 . 20 . 0.968 0.962 0.243 
'X-RAY DIFFRACTION' 1.945 2.009  1885 . 98  1787 100.0000 . 0.227 . . 0.223 . . . . . 0.201 . 20 . 0.966 0.939 0.309 
'X-RAY DIFFRACTION' 2.009 2.079  1821 . 91  1730 100.0000 . 0.215 . . 0.214 . . . . . 0.194 . 20 . 0.970 0.959 0.237 
'X-RAY DIFFRACTION' 2.079 2.157  1784 . 96  1688 100.0000 . 0.219 . . 0.215 . . . . . 0.194 . 20 . 0.968 0.941 0.279 
'X-RAY DIFFRACTION' 2.157 2.245  1717 . 64  1653 100.0000 . 0.219 . . 0.217 . . . . . 0.195 . 20 . 0.970 0.949 0.279 
'X-RAY DIFFRACTION' 2.245 2.345  1639 . 107 1532 100.0000 . 0.223 . . 0.219 . . . . . 0.199 . 20 . 0.969 0.950 0.285 
'X-RAY DIFFRACTION' 2.345 2.459  1566 . 78  1488 100.0000 . 0.208 . . 0.206 . . . . . 0.186 . 20 . 0.974 0.964 0.236 
'X-RAY DIFFRACTION' 2.459 2.591  1493 . 66  1427 100.0000 . 0.204 . . 0.203 . . . . . 0.187 . 20 . 0.975 0.958 0.231 
'X-RAY DIFFRACTION' 2.591 2.748  1414 . 68  1345 99.9293  . 0.229 . . 0.227 . . . . . 0.208 . 20 . 0.967 0.951 0.268 
'X-RAY DIFFRACTION' 2.748 2.937  1334 . 57  1277 100.0000 . 0.241 . . 0.237 . . . . . 0.225 . 20 . 0.963 0.924 0.345 
'X-RAY DIFFRACTION' 2.937 3.171  1273 . 58  1215 100.0000 . 0.229 . . 0.228 . . . . . 0.221 . 20 . 0.966 0.953 0.256 
'X-RAY DIFFRACTION' 3.171 3.471  1173 . 76  1097 100.0000 . 0.235 . . 0.232 . . . . . 0.231 . 20 . 0.967 0.953 0.271 
'X-RAY DIFFRACTION' 3.471 3.878  1076 . 72  1003 99.9071  . 0.228 . . 0.228 . . . . . 0.233 . 20 . 0.972 0.970 0.236 
'X-RAY DIFFRACTION' 3.878 4.472  956  . 69  886  99.8954  . 0.191 . . 0.188 . . . . . 0.208 . 20 . 0.980 0.969 0.227 
'X-RAY DIFFRACTION' 4.472 5.462  818  . 50  767  99.8778  . 0.200 . . 0.199 . . . . . 0.220 . 20 . 0.976 0.977 0.216 
'X-RAY DIFFRACTION' 5.462 7.661  654  . 29  625  100.0000 . 0.248 . . 0.245 . . . . . 0.266 . 20 . 0.968 0.947 0.327 
'X-RAY DIFFRACTION' 7.661 42.495 419  . 17  399  99.2840  . 0.258 . . 0.258 . . . . . 0.290 . 20 . 0.949 0.944 0.266 
# 
loop_
_struct_ncs_dom.id 
_struct_ncs_dom.pdbx_ens_id 
_struct_ncs_dom.details 
1 1 B 
2 1 B 
# 
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 A GLY 1 . A GLU 128 . B GLY 13 B GLU 140 ? ? 
# 
_struct_ncs_ens.id        1 
_struct_ncs_ens.details   'Local NCS retraints between domains:       1       2' 
# 
_struct.entry_id                     9GPW 
_struct.title                        'The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12f/j' 
_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        9GPW 
_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 9GPW B 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
2 1 9GPW 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 9GPW GLY B 1  ? UNP Q13451 ?   ?   'expression tag'      13  1  
1 9GPW ALA B 2  ? UNP Q13451 ?   ?   'expression tag'      14  2  
1 9GPW PRO B 3  ? UNP Q13451 ?   ?   'expression tag'      15  3  
1 9GPW THR B 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  4  
1 9GPW ALA B 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 5  
1 9GPW ILE B 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 6  
2 9GPW GLY A 1  ? UNP Q13451 ?   ?   'expression tag'      13  7  
2 9GPW ALA A 2  ? UNP Q13451 ?   ?   'expression tag'      14  8  
2 9GPW PRO A 3  ? UNP Q13451 ?   ?   'expression tag'      15  9  
2 9GPW THR A 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  10 
2 9GPW ALA A 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 11 
2 9GPW 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 1.39 
2 LEU 107 B . ? LEU 119 A PRO 108 B ? PRO 120 A 1 3.97 
# 
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 ALA A 91  ? N ALA B 103 O ILE A 120 ? O ILE B 132 
AA1 4 5 O LYS A 126 ? O LYS B 138 N LYS A 40  ? N LYS B 52  
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 ALA A 91  ? N ALA B 103 O ILE A 120 ? O ILE B 132 
AA2 4 5 O LYS A 126 ? O LYS B 138 N LYS A 40  ? N LYS B 52  
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 ASP B 124 ? O ASP A 136 N TYR B 42  ? N TYR A 54  
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 ASP B 124 ? O ASP A 136 N TYR B 42  ? N TYR A 54  
AA4 5 6 N VAL B 41  ? N VAL A 53  O PHE B 67  ? O PHE A 79  
# 
_pdbx_entry_details.entry_id                   9GPW 
_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_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 PHE B 67  ? ? -153.22 89.54   
2 1 ALA B 112 ? ? -132.94 -109.84 
3 1 SER B 118 ? ? -153.93 78.44   
4 1 ALA A 112 ? ? -128.24 -107.38 
5 1 SER A 118 ? ? -150.26 69.27   
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     349 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined 8.9999  -16.4184 28.0389 0.0956 ? -0.0292 ? 0.0228  ? 0.1552 ? 0.0248 ? 0.0609 ? 2.8277 ? 0.4640  
? -0.1472 ? 3.9107 ? -0.1826 ? 3.8840 ? -0.1480 ? 0.0981  ? -0.3080 ? -0.1504 ? 0.0412 ? 0.1696  ? 0.2548  ? -0.1807 ? 0.1069  ? 
2 'X-RAY DIFFRACTION' ? refined 18.6055 -0.5541  3.2099  0.1322 ? -0.0681 ? -0.0013 ? 0.0549 ? 0.0139 ? 0.0815 ? 4.7700 ? -1.5643 
? -0.0430 ? 4.6464 ? 0.5930  ? 2.9177 ? -0.0453 ? -0.1770 ? -0.0885 ? -0.2544 ? 0.1816 ? -0.4880 ? -0.1606 ? -0.0895 ? -0.1363 ? 
# 
_pdbx_refine_tls_group.id                  1 
_pdbx_refine_tls_group.pdbx_refine_id      'X-RAY DIFFRACTION' 
_pdbx_refine_tls_group.refine_tls_id       1 
_pdbx_refine_tls_group.beg_label_asym_id   ? 
_pdbx_refine_tls_group.beg_label_seq_id    ? 
_pdbx_refine_tls_group.beg_auth_asym_id    Bp 
_pdbx_refine_tls_group.beg_auth_seq_id     13 
_pdbx_refine_tls_group.beg_PDB_ins_code    ? 
_pdbx_refine_tls_group.end_label_asym_id   ? 
_pdbx_refine_tls_group.end_label_seq_id    ? 
_pdbx_refine_tls_group.end_auth_asym_id    Bp 
_pdbx_refine_tls_group.end_auth_seq_id     201 
_pdbx_refine_tls_group.end_PDB_ins_code    ? 
_pdbx_refine_tls_group.selection           ALL 
_pdbx_refine_tls_group.selection_details   ? 
# 
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 
A1INW C4   C Y N 1   
A1INW C14  C N N 2   
A1INW C5   C Y N 3   
A1INW C6   C Y N 4   
A1INW C11  C N N 5   
A1INW C7   C Y N 6   
A1INW C8   C N N 7   
A1INW C9   C N N 8   
A1INW C10  C N N 9   
A1INW C12  C Y N 10  
A1INW C13  C Y N 11  
A1INW N1   N Y N 12  
A1INW N2   N Y N 13  
A1INW C3   C Y N 14  
A1INW N3   N Y N 15  
A1INW C1   C N N 16  
A1INW O1   O N N 17  
A1INW C2   C Y N 18  
A1INW O2   O N N 19  
A1INW O3   O N N 20  
A1INW C15  C N S 21  
A1INW C16  C N N 22  
A1INW C17  C N N 23  
A1INW O4   O N N 24  
A1INW C18  C N N 25  
A1INW O5   O N N 26  
A1INW C19  C N S 27  
A1INW C20  C N N 28  
A1INW C21  C N N 29  
A1INW C22  C N N 30  
A1INW C23  C N N 31  
A1INW N4   N N N 32  
A1INW C24  C N N 33  
A1INW O6   O N N 34  
A1INW C25  C N S 35  
A1INW C26  C N N 36  
A1INW C27  C N N 37  
A1INW C28  C N N 38  
A1INW C29  C N N 39  
A1INW C30  C N N 40  
A1INW C31  C N N 41  
A1INW H17  H N N 42  
A1INW H16  H N N 43  
A1INW H5   H N N 44  
A1INW H14  H N N 45  
A1INW H13  H N N 46  
A1INW H7   H N N 47  
A1INW H8   H N N 48  
A1INW H6   H N N 49  
A1INW H9   H N N 50  
A1INW H10  H N N 51  
A1INW H12  H N N 52  
A1INW H11  H N N 53  
A1INW H15  H N N 54  
A1INW H4   H N N 55  
A1INW H2   H N N 56  
A1INW H3   H N N 57  
A1INW H1   H N N 58  
A1INW H18  H N N 59  
A1INW H21  H N N 60  
A1INW H19  H N N 61  
A1INW H20  H N N 62  
A1INW H23  H N N 63  
A1INW H22  H N N 64  
A1INW H24  H N N 65  
A1INW H26  H N N 66  
A1INW H25  H N N 67  
A1INW H27  H N N 68  
A1INW H28  H N N 69  
A1INW H29  H N N 70  
A1INW H30  H N N 71  
A1INW H31  H N N 72  
A1INW H32  H N N 73  
A1INW H33  H N N 74  
A1INW H34  H N N 75  
A1INW H36  H N N 76  
A1INW H35  H N N 77  
A1INW H37  H N N 78  
A1INW H38  H N N 79  
A1INW H39  H N N 80  
A1INW H40  H N N 81  
A1INW H41  H N N 82  
A1INW H42  H N N 83  
A1INW H44  H N N 84  
A1INW H43  H N N 85  
ALA   N    N N N 86  
ALA   CA   C N S 87  
ALA   C    C N N 88  
ALA   O    O N N 89  
ALA   CB   C N N 90  
ALA   OXT  O N N 91  
ALA   H    H N N 92  
ALA   H2   H N N 93  
ALA   HA   H N N 94  
ALA   HB1  H N N 95  
ALA   HB2  H N N 96  
ALA   HB3  H N N 97  
ALA   HXT  H N N 98  
ARG   N    N N N 99  
ARG   CA   C N S 100 
ARG   C    C N N 101 
ARG   O    O N N 102 
ARG   CB   C N N 103 
ARG   CG   C N N 104 
ARG   CD   C N N 105 
ARG   NE   N N N 106 
ARG   CZ   C N N 107 
ARG   NH1  N N N 108 
ARG   NH2  N N N 109 
ARG   OXT  O N N 110 
ARG   H    H N N 111 
ARG   H2   H N N 112 
ARG   HA   H N N 113 
ARG   HB2  H N N 114 
ARG   HB3  H N N 115 
ARG   HG2  H N N 116 
ARG   HG3  H N N 117 
ARG   HD2  H N N 118 
ARG   HD3  H N N 119 
ARG   HE   H N N 120 
ARG   HH11 H N N 121 
ARG   HH12 H N N 122 
ARG   HH21 H N N 123 
ARG   HH22 H N N 124 
ARG   HXT  H N N 125 
ASN   N    N N N 126 
ASN   CA   C N S 127 
ASN   C    C N N 128 
ASN   O    O N N 129 
ASN   CB   C N N 130 
ASN   CG   C N N 131 
ASN   OD1  O N N 132 
ASN   ND2  N N N 133 
ASN   OXT  O N N 134 
ASN   H    H N N 135 
ASN   H2   H N N 136 
ASN   HA   H N N 137 
ASN   HB2  H N N 138 
ASN   HB3  H N N 139 
ASN   HD21 H N N 140 
ASN   HD22 H N N 141 
ASN   HXT  H N N 142 
ASP   N    N N N 143 
ASP   CA   C N S 144 
ASP   C    C N N 145 
ASP   O    O N N 146 
ASP   CB   C N N 147 
ASP   CG   C N N 148 
ASP   OD1  O N N 149 
ASP   OD2  O N N 150 
ASP   OXT  O N N 151 
ASP   H    H N N 152 
ASP   H2   H N N 153 
ASP   HA   H N N 154 
ASP   HB2  H N N 155 
ASP   HB3  H N N 156 
ASP   HD2  H N N 157 
ASP   HXT  H N N 158 
CYS   N    N N N 159 
CYS   CA   C N R 160 
CYS   C    C N N 161 
CYS   O    O N N 162 
CYS   CB   C N N 163 
CYS   SG   S N N 164 
CYS   OXT  O N N 165 
CYS   H    H N N 166 
CYS   H2   H N N 167 
CYS   HA   H N N 168 
CYS   HB2  H N N 169 
CYS   HB3  H N N 170 
CYS   HG   H N N 171 
CYS   HXT  H N N 172 
GLN   N    N N N 173 
GLN   CA   C N S 174 
GLN   C    C N N 175 
GLN   O    O N N 176 
GLN   CB   C N N 177 
GLN   CG   C N N 178 
GLN   CD   C N N 179 
GLN   OE1  O N N 180 
GLN   NE2  N N N 181 
GLN   OXT  O N N 182 
GLN   H    H N N 183 
GLN   H2   H N N 184 
GLN   HA   H N N 185 
GLN   HB2  H N N 186 
GLN   HB3  H N N 187 
GLN   HG2  H N N 188 
GLN   HG3  H N N 189 
GLN   HE21 H N N 190 
GLN   HE22 H N N 191 
GLN   HXT  H N N 192 
GLU   N    N N N 193 
GLU   CA   C N S 194 
GLU   C    C N N 195 
GLU   O    O N N 196 
GLU   CB   C N N 197 
GLU   CG   C N N 198 
GLU   CD   C N N 199 
GLU   OE1  O N N 200 
GLU   OE2  O N N 201 
GLU   OXT  O N N 202 
GLU   H    H N N 203 
GLU   H2   H N N 204 
GLU   HA   H N N 205 
GLU   HB2  H N N 206 
GLU   HB3  H N N 207 
GLU   HG2  H N N 208 
GLU   HG3  H N N 209 
GLU   HE2  H N N 210 
GLU   HXT  H N N 211 
GLY   N    N N N 212 
GLY   CA   C N N 213 
GLY   C    C N N 214 
GLY   O    O N N 215 
GLY   OXT  O N N 216 
GLY   H    H N N 217 
GLY   H2   H N N 218 
GLY   HA2  H N N 219 
GLY   HA3  H N N 220 
GLY   HXT  H N N 221 
HIS   N    N N N 222 
HIS   CA   C N S 223 
HIS   C    C N N 224 
HIS   O    O N N 225 
HIS   CB   C N N 226 
HIS   CG   C Y N 227 
HIS   ND1  N Y N 228 
HIS   CD2  C Y N 229 
HIS   CE1  C Y N 230 
HIS   NE2  N Y N 231 
HIS   OXT  O N N 232 
HIS   H    H N N 233 
HIS   H2   H N N 234 
HIS   HA   H N N 235 
HIS   HB2  H N N 236 
HIS   HB3  H N N 237 
HIS   HD1  H N N 238 
HIS   HD2  H N N 239 
HIS   HE1  H N N 240 
HIS   HE2  H N N 241 
HIS   HXT  H N N 242 
HOH   O    O N N 243 
HOH   H1   H N N 244 
HOH   H2   H N N 245 
ILE   N    N N N 246 
ILE   CA   C N S 247 
ILE   C    C N N 248 
ILE   O    O N N 249 
ILE   CB   C N S 250 
ILE   CG1  C N N 251 
ILE   CG2  C N N 252 
ILE   CD1  C N N 253 
ILE   OXT  O N N 254 
ILE   H    H N N 255 
ILE   H2   H N N 256 
ILE   HA   H N N 257 
ILE   HB   H N N 258 
ILE   HG12 H N N 259 
ILE   HG13 H N N 260 
ILE   HG21 H N N 261 
ILE   HG22 H N N 262 
ILE   HG23 H N N 263 
ILE   HD11 H N N 264 
ILE   HD12 H N N 265 
ILE   HD13 H N N 266 
ILE   HXT  H N N 267 
LEU   N    N N N 268 
LEU   CA   C N S 269 
LEU   C    C N N 270 
LEU   O    O N N 271 
LEU   CB   C N N 272 
LEU   CG   C N N 273 
LEU   CD1  C N N 274 
LEU   CD2  C N N 275 
LEU   OXT  O N N 276 
LEU   H    H N N 277 
LEU   H2   H N N 278 
LEU   HA   H N N 279 
LEU   HB2  H N N 280 
LEU   HB3  H N N 281 
LEU   HG   H N N 282 
LEU   HD11 H N N 283 
LEU   HD12 H N N 284 
LEU   HD13 H N N 285 
LEU   HD21 H N N 286 
LEU   HD22 H N N 287 
LEU   HD23 H N N 288 
LEU   HXT  H N N 289 
LYS   N    N N N 290 
LYS   CA   C N S 291 
LYS   C    C N N 292 
LYS   O    O N N 293 
LYS   CB   C N N 294 
LYS   CG   C N N 295 
LYS   CD   C N N 296 
LYS   CE   C N N 297 
LYS   NZ   N N N 298 
LYS   OXT  O N N 299 
LYS   H    H N N 300 
LYS   H2   H N N 301 
LYS   HA   H N N 302 
LYS   HB2  H N N 303 
LYS   HB3  H N N 304 
LYS   HG2  H N N 305 
LYS   HG3  H N N 306 
LYS   HD2  H N N 307 
LYS   HD3  H N N 308 
LYS   HE2  H N N 309 
LYS   HE3  H N N 310 
LYS   HZ1  H N N 311 
LYS   HZ2  H N N 312 
LYS   HZ3  H N N 313 
LYS   HXT  H N N 314 
MET   N    N N N 315 
MET   CA   C N S 316 
MET   C    C N N 317 
MET   O    O N N 318 
MET   CB   C N N 319 
MET   CG   C N N 320 
MET   SD   S N N 321 
MET   CE   C N N 322 
MET   OXT  O N N 323 
MET   H    H N N 324 
MET   H2   H N N 325 
MET   HA   H N N 326 
MET   HB2  H N N 327 
MET   HB3  H N N 328 
MET   HG2  H N N 329 
MET   HG3  H N N 330 
MET   HE1  H N N 331 
MET   HE2  H N N 332 
MET   HE3  H N N 333 
MET   HXT  H N N 334 
PHE   N    N N N 335 
PHE   CA   C N S 336 
PHE   C    C N N 337 
PHE   O    O N N 338 
PHE   CB   C N N 339 
PHE   CG   C Y N 340 
PHE   CD1  C Y N 341 
PHE   CD2  C Y N 342 
PHE   CE1  C Y N 343 
PHE   CE2  C Y N 344 
PHE   CZ   C Y N 345 
PHE   OXT  O N N 346 
PHE   H    H N N 347 
PHE   H2   H N N 348 
PHE   HA   H N N 349 
PHE   HB2  H N N 350 
PHE   HB3  H N N 351 
PHE   HD1  H N N 352 
PHE   HD2  H N N 353 
PHE   HE1  H N N 354 
PHE   HE2  H N N 355 
PHE   HZ   H N N 356 
PHE   HXT  H N N 357 
PRO   N    N N N 358 
PRO   CA   C N S 359 
PRO   C    C N N 360 
PRO   O    O N N 361 
PRO   CB   C N N 362 
PRO   CG   C N N 363 
PRO   CD   C N N 364 
PRO   OXT  O N N 365 
PRO   H    H N N 366 
PRO   HA   H N N 367 
PRO   HB2  H N N 368 
PRO   HB3  H N N 369 
PRO   HG2  H N N 370 
PRO   HG3  H N N 371 
PRO   HD2  H N N 372 
PRO   HD3  H N N 373 
PRO   HXT  H N N 374 
SER   N    N N N 375 
SER   CA   C N S 376 
SER   C    C N N 377 
SER   O    O N N 378 
SER   CB   C N N 379 
SER   OG   O N N 380 
SER   OXT  O N N 381 
SER   H    H N N 382 
SER   H2   H N N 383 
SER   HA   H N N 384 
SER   HB2  H N N 385 
SER   HB3  H N N 386 
SER   HG   H N N 387 
SER   HXT  H N N 388 
THR   N    N N N 389 
THR   CA   C N S 390 
THR   C    C N N 391 
THR   O    O N N 392 
THR   CB   C N R 393 
THR   OG1  O N N 394 
THR   CG2  C N N 395 
THR   OXT  O N N 396 
THR   H    H N N 397 
THR   H2   H N N 398 
THR   HA   H N N 399 
THR   HB   H N N 400 
THR   HG1  H N N 401 
THR   HG21 H N N 402 
THR   HG22 H N N 403 
THR   HG23 H N N 404 
THR   HXT  H N N 405 
TRP   N    N N N 406 
TRP   CA   C N S 407 
TRP   C    C N N 408 
TRP   O    O N N 409 
TRP   CB   C N N 410 
TRP   CG   C Y N 411 
TRP   CD1  C Y N 412 
TRP   CD2  C Y N 413 
TRP   NE1  N Y N 414 
TRP   CE2  C Y N 415 
TRP   CE3  C Y N 416 
TRP   CZ2  C Y N 417 
TRP   CZ3  C Y N 418 
TRP   CH2  C Y N 419 
TRP   OXT  O N N 420 
TRP   H    H N N 421 
TRP   H2   H N N 422 
TRP   HA   H N N 423 
TRP   HB2  H N N 424 
TRP   HB3  H N N 425 
TRP   HD1  H N N 426 
TRP   HE1  H N N 427 
TRP   HE3  H N N 428 
TRP   HZ2  H N N 429 
TRP   HZ3  H N N 430 
TRP   HH2  H N N 431 
TRP   HXT  H N N 432 
TYR   N    N N N 433 
TYR   CA   C N S 434 
TYR   C    C N N 435 
TYR   O    O N N 436 
TYR   CB   C N N 437 
TYR   CG   C Y N 438 
TYR   CD1  C Y N 439 
TYR   CD2  C Y N 440 
TYR   CE1  C Y N 441 
TYR   CE2  C Y N 442 
TYR   CZ   C Y N 443 
TYR   OH   O N N 444 
TYR   OXT  O N N 445 
TYR   H    H N N 446 
TYR   H2   H N N 447 
TYR   HA   H N N 448 
TYR   HB2  H N N 449 
TYR   HB3  H N N 450 
TYR   HD1  H N N 451 
TYR   HD2  H N N 452 
TYR   HE1  H N N 453 
TYR   HE2  H N N 454 
TYR   HH   H N N 455 
TYR   HXT  H N N 456 
VAL   N    N N N 457 
VAL   CA   C N S 458 
VAL   C    C N N 459 
VAL   O    O N N 460 
VAL   CB   C N N 461 
VAL   CG1  C N N 462 
VAL   CG2  C N N 463 
VAL   OXT  O N N 464 
VAL   H    H N N 465 
VAL   H2   H N N 466 
VAL   HA   H N N 467 
VAL   HB   H N N 468 
VAL   HG11 H N N 469 
VAL   HG12 H N N 470 
VAL   HG13 H N N 471 
VAL   HG21 H N N 472 
VAL   HG22 H N N 473 
VAL   HG23 H N N 474 
VAL   HXT  H N N 475 
# 
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 
A1INW C20 C21  sing N N 1   
A1INW C20 C19  sing N N 2   
A1INW C28 C27  sing N N 3   
A1INW C28 C29  sing N N 4   
A1INW C27 C26  sing N N 5   
A1INW C21 C22  sing N N 6   
A1INW C22 C23  sing N N 7   
A1INW C29 C30  sing N N 8   
A1INW C19 N4   sing N N 9   
A1INW C19 C18  sing N N 10  
A1INW N4  C23  sing N N 11  
A1INW N4  C24  sing N N 12  
A1INW O6  C24  doub N N 13  
A1INW C24 C25  sing N N 14  
A1INW C26 C25  sing N N 15  
A1INW C26 C31  sing N N 16  
A1INW O5  C18  doub N N 17  
A1INW C18 O4   sing N N 18  
A1INW C25 C4   sing N N 19  
A1INW C30 C31  sing N N 20  
A1INW O4  C17  sing N N 21  
A1INW C4  C5   doub Y N 22  
A1INW C4  C3   sing Y N 23  
A1INW C5  C6   sing Y N 24  
A1INW C17 C15  sing N N 25  
A1INW C3  C2   doub Y N 26  
A1INW C12 C13  doub Y N 27  
A1INW C12 N1   sing Y N 28  
A1INW C14 C15  sing N N 29  
A1INW C14 C13  sing N N 30  
A1INW C15 C16  sing N N 31  
A1INW C13 N2   sing Y N 32  
A1INW C6  O3   sing N N 33  
A1INW C6  C7   doub Y N 34  
A1INW C11 N1   sing N N 35  
A1INW C11 C10  sing N N 36  
A1INW C9  O3   sing N N 37  
A1INW C9  C10  sing N N 38  
A1INW N1  N3   sing Y N 39  
A1INW C2  C7   sing Y N 40  
A1INW C2  O1   sing N N 41  
A1INW C1  O1   sing N N 42  
A1INW C7  O2   sing N N 43  
A1INW N2  N3   doub Y N 44  
A1INW O2  C8   sing N N 45  
A1INW C14 H17  sing N N 46  
A1INW C14 H16  sing N N 47  
A1INW C5  H5   sing N N 48  
A1INW C11 H14  sing N N 49  
A1INW C11 H13  sing N N 50  
A1INW C8  H7   sing N N 51  
A1INW C8  H8   sing N N 52  
A1INW C8  H6   sing N N 53  
A1INW C9  H9   sing N N 54  
A1INW C9  H10  sing N N 55  
A1INW C10 H12  sing N N 56  
A1INW C10 H11  sing N N 57  
A1INW C12 H15  sing N N 58  
A1INW C3  H4   sing N N 59  
A1INW C1  H2   sing N N 60  
A1INW C1  H3   sing N N 61  
A1INW C1  H1   sing N N 62  
A1INW C15 H18  sing N N 63  
A1INW C16 H21  sing N N 64  
A1INW C16 H19  sing N N 65  
A1INW C16 H20  sing N N 66  
A1INW C17 H23  sing N N 67  
A1INW C17 H22  sing N N 68  
A1INW C19 H24  sing N N 69  
A1INW C20 H26  sing N N 70  
A1INW C20 H25  sing N N 71  
A1INW C21 H27  sing N N 72  
A1INW C21 H28  sing N N 73  
A1INW C22 H29  sing N N 74  
A1INW C22 H30  sing N N 75  
A1INW C23 H31  sing N N 76  
A1INW C23 H32  sing N N 77  
A1INW C25 H33  sing N N 78  
A1INW C26 H34  sing N N 79  
A1INW C27 H36  sing N N 80  
A1INW C27 H35  sing N N 81  
A1INW C28 H37  sing N N 82  
A1INW C28 H38  sing N N 83  
A1INW C29 H39  sing N N 84  
A1INW C29 H40  sing N N 85  
A1INW C30 H41  sing N N 86  
A1INW C30 H42  sing N N 87  
A1INW C31 H44  sing N N 88  
A1INW C31 H43  sing N N 89  
ALA   N   CA   sing N N 90  
ALA   N   H    sing N N 91  
ALA   N   H2   sing N N 92  
ALA   CA  C    sing N N 93  
ALA   CA  CB   sing N N 94  
ALA   CA  HA   sing N N 95  
ALA   C   O    doub N N 96  
ALA   C   OXT  sing N N 97  
ALA   CB  HB1  sing N N 98  
ALA   CB  HB2  sing N N 99  
ALA   CB  HB3  sing N N 100 
ALA   OXT HXT  sing N N 101 
ARG   N   CA   sing N N 102 
ARG   N   H    sing N N 103 
ARG   N   H2   sing N N 104 
ARG   CA  C    sing N N 105 
ARG   CA  CB   sing N N 106 
ARG   CA  HA   sing N N 107 
ARG   C   O    doub N N 108 
ARG   C   OXT  sing N N 109 
ARG   CB  CG   sing N N 110 
ARG   CB  HB2  sing N N 111 
ARG   CB  HB3  sing N N 112 
ARG   CG  CD   sing N N 113 
ARG   CG  HG2  sing N N 114 
ARG   CG  HG3  sing N N 115 
ARG   CD  NE   sing N N 116 
ARG   CD  HD2  sing N N 117 
ARG   CD  HD3  sing N N 118 
ARG   NE  CZ   sing N N 119 
ARG   NE  HE   sing N N 120 
ARG   CZ  NH1  sing N N 121 
ARG   CZ  NH2  doub N N 122 
ARG   NH1 HH11 sing N N 123 
ARG   NH1 HH12 sing N N 124 
ARG   NH2 HH21 sing N N 125 
ARG   NH2 HH22 sing N N 126 
ARG   OXT HXT  sing N N 127 
ASN   N   CA   sing N N 128 
ASN   N   H    sing N N 129 
ASN   N   H2   sing N N 130 
ASN   CA  C    sing N N 131 
ASN   CA  CB   sing N N 132 
ASN   CA  HA   sing N N 133 
ASN   C   O    doub N N 134 
ASN   C   OXT  sing N N 135 
ASN   CB  CG   sing N N 136 
ASN   CB  HB2  sing N N 137 
ASN   CB  HB3  sing N N 138 
ASN   CG  OD1  doub N N 139 
ASN   CG  ND2  sing N N 140 
ASN   ND2 HD21 sing N N 141 
ASN   ND2 HD22 sing N N 142 
ASN   OXT HXT  sing N N 143 
ASP   N   CA   sing N N 144 
ASP   N   H    sing N N 145 
ASP   N   H2   sing N N 146 
ASP   CA  C    sing N N 147 
ASP   CA  CB   sing N N 148 
ASP   CA  HA   sing N N 149 
ASP   C   O    doub N N 150 
ASP   C   OXT  sing N N 151 
ASP   CB  CG   sing N N 152 
ASP   CB  HB2  sing N N 153 
ASP   CB  HB3  sing N N 154 
ASP   CG  OD1  doub N N 155 
ASP   CG  OD2  sing N N 156 
ASP   OD2 HD2  sing N N 157 
ASP   OXT HXT  sing N N 158 
CYS   N   CA   sing N N 159 
CYS   N   H    sing N N 160 
CYS   N   H2   sing N N 161 
CYS   CA  C    sing N N 162 
CYS   CA  CB   sing N N 163 
CYS   CA  HA   sing N N 164 
CYS   C   O    doub N N 165 
CYS   C   OXT  sing N N 166 
CYS   CB  SG   sing N N 167 
CYS   CB  HB2  sing N N 168 
CYS   CB  HB3  sing N N 169 
CYS   SG  HG   sing N N 170 
CYS   OXT HXT  sing N N 171 
GLN   N   CA   sing N N 172 
GLN   N   H    sing N N 173 
GLN   N   H2   sing N N 174 
GLN   CA  C    sing N N 175 
GLN   CA  CB   sing N N 176 
GLN   CA  HA   sing N N 177 
GLN   C   O    doub N N 178 
GLN   C   OXT  sing N N 179 
GLN   CB  CG   sing N N 180 
GLN   CB  HB2  sing N N 181 
GLN   CB  HB3  sing N N 182 
GLN   CG  CD   sing N N 183 
GLN   CG  HG2  sing N N 184 
GLN   CG  HG3  sing N N 185 
GLN   CD  OE1  doub N N 186 
GLN   CD  NE2  sing N N 187 
GLN   NE2 HE21 sing N N 188 
GLN   NE2 HE22 sing N N 189 
GLN   OXT HXT  sing N N 190 
GLU   N   CA   sing N N 191 
GLU   N   H    sing N N 192 
GLU   N   H2   sing N N 193 
GLU   CA  C    sing N N 194 
GLU   CA  CB   sing N N 195 
GLU   CA  HA   sing N N 196 
GLU   C   O    doub N N 197 
GLU   C   OXT  sing N N 198 
GLU   CB  CG   sing N N 199 
GLU   CB  HB2  sing N N 200 
GLU   CB  HB3  sing N N 201 
GLU   CG  CD   sing N N 202 
GLU   CG  HG2  sing N N 203 
GLU   CG  HG3  sing N N 204 
GLU   CD  OE1  doub N N 205 
GLU   CD  OE2  sing N N 206 
GLU   OE2 HE2  sing N N 207 
GLU   OXT HXT  sing N N 208 
GLY   N   CA   sing N N 209 
GLY   N   H    sing N N 210 
GLY   N   H2   sing N N 211 
GLY   CA  C    sing N N 212 
GLY   CA  HA2  sing N N 213 
GLY   CA  HA3  sing N N 214 
GLY   C   O    doub N N 215 
GLY   C   OXT  sing N N 216 
GLY   OXT HXT  sing N N 217 
HIS   N   CA   sing N N 218 
HIS   N   H    sing N N 219 
HIS   N   H2   sing N N 220 
HIS   CA  C    sing N N 221 
HIS   CA  CB   sing N N 222 
HIS   CA  HA   sing N N 223 
HIS   C   O    doub N N 224 
HIS   C   OXT  sing N N 225 
HIS   CB  CG   sing N N 226 
HIS   CB  HB2  sing N N 227 
HIS   CB  HB3  sing N N 228 
HIS   CG  ND1  sing Y N 229 
HIS   CG  CD2  doub Y N 230 
HIS   ND1 CE1  doub Y N 231 
HIS   ND1 HD1  sing N N 232 
HIS   CD2 NE2  sing Y N 233 
HIS   CD2 HD2  sing N N 234 
HIS   CE1 NE2  sing Y N 235 
HIS   CE1 HE1  sing N N 236 
HIS   NE2 HE2  sing N N 237 
HIS   OXT HXT  sing N N 238 
HOH   O   H1   sing N N 239 
HOH   O   H2   sing N N 240 
ILE   N   CA   sing N N 241 
ILE   N   H    sing N N 242 
ILE   N   H2   sing N N 243 
ILE   CA  C    sing N N 244 
ILE   CA  CB   sing N N 245 
ILE   CA  HA   sing N N 246 
ILE   C   O    doub N N 247 
ILE   C   OXT  sing N N 248 
ILE   CB  CG1  sing N N 249 
ILE   CB  CG2  sing N N 250 
ILE   CB  HB   sing N N 251 
ILE   CG1 CD1  sing N N 252 
ILE   CG1 HG12 sing N N 253 
ILE   CG1 HG13 sing N N 254 
ILE   CG2 HG21 sing N N 255 
ILE   CG2 HG22 sing N N 256 
ILE   CG2 HG23 sing N N 257 
ILE   CD1 HD11 sing N N 258 
ILE   CD1 HD12 sing N N 259 
ILE   CD1 HD13 sing N N 260 
ILE   OXT HXT  sing N N 261 
LEU   N   CA   sing N N 262 
LEU   N   H    sing N N 263 
LEU   N   H2   sing N N 264 
LEU   CA  C    sing N N 265 
LEU   CA  CB   sing N N 266 
LEU   CA  HA   sing N N 267 
LEU   C   O    doub N N 268 
LEU   C   OXT  sing N N 269 
LEU   CB  CG   sing N N 270 
LEU   CB  HB2  sing N N 271 
LEU   CB  HB3  sing N N 272 
LEU   CG  CD1  sing N N 273 
LEU   CG  CD2  sing N N 274 
LEU   CG  HG   sing N N 275 
LEU   CD1 HD11 sing N N 276 
LEU   CD1 HD12 sing N N 277 
LEU   CD1 HD13 sing N N 278 
LEU   CD2 HD21 sing N N 279 
LEU   CD2 HD22 sing N N 280 
LEU   CD2 HD23 sing N N 281 
LEU   OXT HXT  sing N N 282 
LYS   N   CA   sing N N 283 
LYS   N   H    sing N N 284 
LYS   N   H2   sing N N 285 
LYS   CA  C    sing N N 286 
LYS   CA  CB   sing N N 287 
LYS   CA  HA   sing N N 288 
LYS   C   O    doub N N 289 
LYS   C   OXT  sing N N 290 
LYS   CB  CG   sing N N 291 
LYS   CB  HB2  sing N N 292 
LYS   CB  HB3  sing N N 293 
LYS   CG  CD   sing N N 294 
LYS   CG  HG2  sing N N 295 
LYS   CG  HG3  sing N N 296 
LYS   CD  CE   sing N N 297 
LYS   CD  HD2  sing N N 298 
LYS   CD  HD3  sing N N 299 
LYS   CE  NZ   sing N N 300 
LYS   CE  HE2  sing N N 301 
LYS   CE  HE3  sing N N 302 
LYS   NZ  HZ1  sing N N 303 
LYS   NZ  HZ2  sing N N 304 
LYS   NZ  HZ3  sing N N 305 
LYS   OXT HXT  sing N N 306 
MET   N   CA   sing N N 307 
MET   N   H    sing N N 308 
MET   N   H2   sing N N 309 
MET   CA  C    sing N N 310 
MET   CA  CB   sing N N 311 
MET   CA  HA   sing N N 312 
MET   C   O    doub N N 313 
MET   C   OXT  sing N N 314 
MET   CB  CG   sing N N 315 
MET   CB  HB2  sing N N 316 
MET   CB  HB3  sing N N 317 
MET   CG  SD   sing N N 318 
MET   CG  HG2  sing N N 319 
MET   CG  HG3  sing N N 320 
MET   SD  CE   sing N N 321 
MET   CE  HE1  sing N N 322 
MET   CE  HE2  sing N N 323 
MET   CE  HE3  sing N N 324 
MET   OXT HXT  sing N N 325 
PHE   N   CA   sing N N 326 
PHE   N   H    sing N N 327 
PHE   N   H2   sing N N 328 
PHE   CA  C    sing N N 329 
PHE   CA  CB   sing N N 330 
PHE   CA  HA   sing N N 331 
PHE   C   O    doub N N 332 
PHE   C   OXT  sing N N 333 
PHE   CB  CG   sing N N 334 
PHE   CB  HB2  sing N N 335 
PHE   CB  HB3  sing N N 336 
PHE   CG  CD1  doub Y N 337 
PHE   CG  CD2  sing Y N 338 
PHE   CD1 CE1  sing Y N 339 
PHE   CD1 HD1  sing N N 340 
PHE   CD2 CE2  doub Y N 341 
PHE   CD2 HD2  sing N N 342 
PHE   CE1 CZ   doub Y N 343 
PHE   CE1 HE1  sing N N 344 
PHE   CE2 CZ   sing Y N 345 
PHE   CE2 HE2  sing N N 346 
PHE   CZ  HZ   sing N N 347 
PHE   OXT HXT  sing N N 348 
PRO   N   CA   sing N N 349 
PRO   N   CD   sing N N 350 
PRO   N   H    sing N N 351 
PRO   CA  C    sing N N 352 
PRO   CA  CB   sing N N 353 
PRO   CA  HA   sing N N 354 
PRO   C   O    doub N N 355 
PRO   C   OXT  sing N N 356 
PRO   CB  CG   sing N N 357 
PRO   CB  HB2  sing N N 358 
PRO   CB  HB3  sing N N 359 
PRO   CG  CD   sing N N 360 
PRO   CG  HG2  sing N N 361 
PRO   CG  HG3  sing N N 362 
PRO   CD  HD2  sing N N 363 
PRO   CD  HD3  sing N N 364 
PRO   OXT HXT  sing N N 365 
SER   N   CA   sing N N 366 
SER   N   H    sing N N 367 
SER   N   H2   sing N N 368 
SER   CA  C    sing N N 369 
SER   CA  CB   sing N N 370 
SER   CA  HA   sing N N 371 
SER   C   O    doub N N 372 
SER   C   OXT  sing N N 373 
SER   CB  OG   sing N N 374 
SER   CB  HB2  sing N N 375 
SER   CB  HB3  sing N N 376 
SER   OG  HG   sing N N 377 
SER   OXT HXT  sing N N 378 
THR   N   CA   sing N N 379 
THR   N   H    sing N N 380 
THR   N   H2   sing N N 381 
THR   CA  C    sing N N 382 
THR   CA  CB   sing N N 383 
THR   CA  HA   sing N N 384 
THR   C   O    doub N N 385 
THR   C   OXT  sing N N 386 
THR   CB  OG1  sing N N 387 
THR   CB  CG2  sing N N 388 
THR   CB  HB   sing N N 389 
THR   OG1 HG1  sing N N 390 
THR   CG2 HG21 sing N N 391 
THR   CG2 HG22 sing N N 392 
THR   CG2 HG23 sing N N 393 
THR   OXT HXT  sing N N 394 
TRP   N   CA   sing N N 395 
TRP   N   H    sing N N 396 
TRP   N   H2   sing N N 397 
TRP   CA  C    sing N N 398 
TRP   CA  CB   sing N N 399 
TRP   CA  HA   sing N N 400 
TRP   C   O    doub N N 401 
TRP   C   OXT  sing N N 402 
TRP   CB  CG   sing N N 403 
TRP   CB  HB2  sing N N 404 
TRP   CB  HB3  sing N N 405 
TRP   CG  CD1  doub Y N 406 
TRP   CG  CD2  sing Y N 407 
TRP   CD1 NE1  sing Y N 408 
TRP   CD1 HD1  sing N N 409 
TRP   CD2 CE2  doub Y N 410 
TRP   CD2 CE3  sing Y N 411 
TRP   NE1 CE2  sing Y N 412 
TRP   NE1 HE1  sing N N 413 
TRP   CE2 CZ2  sing Y N 414 
TRP   CE3 CZ3  doub Y N 415 
TRP   CE3 HE3  sing N N 416 
TRP   CZ2 CH2  doub Y N 417 
TRP   CZ2 HZ2  sing N N 418 
TRP   CZ3 CH2  sing Y N 419 
TRP   CZ3 HZ3  sing N N 420 
TRP   CH2 HH2  sing N N 421 
TRP   OXT HXT  sing N N 422 
TYR   N   CA   sing N N 423 
TYR   N   H    sing N N 424 
TYR   N   H2   sing N N 425 
TYR   CA  C    sing N N 426 
TYR   CA  CB   sing N N 427 
TYR   CA  HA   sing N N 428 
TYR   C   O    doub N N 429 
TYR   C   OXT  sing N N 430 
TYR   CB  CG   sing N N 431 
TYR   CB  HB2  sing N N 432 
TYR   CB  HB3  sing N N 433 
TYR   CG  CD1  doub Y N 434 
TYR   CG  CD2  sing Y N 435 
TYR   CD1 CE1  sing Y N 436 
TYR   CD1 HD1  sing N N 437 
TYR   CD2 CE2  doub Y N 438 
TYR   CD2 HD2  sing N N 439 
TYR   CE1 CZ   doub Y N 440 
TYR   CE1 HE1  sing N N 441 
TYR   CE2 CZ   sing Y N 442 
TYR   CE2 HE2  sing N N 443 
TYR   CZ  OH   sing N N 444 
TYR   OH  HH   sing N N 445 
TYR   OXT HXT  sing N N 446 
VAL   N   CA   sing N N 447 
VAL   N   H    sing N N 448 
VAL   N   H2   sing N N 449 
VAL   CA  C    sing N N 450 
VAL   CA  CB   sing N N 451 
VAL   CA  HA   sing N N 452 
VAL   C   O    doub N N 453 
VAL   C   OXT  sing N N 454 
VAL   CB  CG1  sing N N 455 
VAL   CB  CG2  sing N N 456 
VAL   CB  HB   sing N N 457 
VAL   CG1 HG11 sing N N 458 
VAL   CG1 HG12 sing N N 459 
VAL   CG1 HG13 sing N N 460 
VAL   CG2 HG21 sing N N 461 
VAL   CG2 HG22 sing N N 462 
VAL   CG2 HG23 sing N N 463 
VAL   OXT HXT  sing N N 464 
# 
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                    9GPW 
_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]   0.020397 
_atom_sites.fract_transf_matrix[1][2]   0.011776 
_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]   0.023552 
_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]   0.005111 
_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_site.pdbx_tls_group_id 
ATOM   1    N N    . GLY   A 1 1   ? -2.59  -4.954  36.31   1   50.144 ? 13  GLY   B N    1 ? 1 
ATOM   2    C CA   . GLY   A 1 1   ? -2.765 -6.41   36.305  1   48.868 ? 13  GLY   B CA   1 ? 1 
ATOM   3    C C    . GLY   A 1 1   ? -1.417 -7.076  36.137  1   49.226 ? 13  GLY   B C    1 ? 1 
ATOM   4    O O    . GLY   A 1 1   ? -0.418 -6.605  36.687  1   43.997 ? 13  GLY   B O    1 ? 1 
ATOM   5    H H1   . GLY   A 1 1   ? -3.394 -4.548  36.401  1   51.92  ? 13  GLY   B H1   1 c 1 
ATOM   6    H H2   . GLY   A 1 1   ? -2.211 -4.683  35.535  1   49.057 ? 13  GLY   B H2   1 c 1 
ATOM   7    H H3   . GLY   A 1 1   ? -2.059 -4.708  37      1   49.746 ? 13  GLY   B H3   1 c 1 
ATOM   8    H HA2  . GLY   A 1 1   ? -3.179 -6.695  37.153  1   50.879 ? 13  GLY   B HA2  1 c 1 
ATOM   9    H HA3  . GLY   A 1 1   ? -3.364 -6.666  35.565  1   50.198 ? 13  GLY   B HA3  1 c 1 
ATOM   10   N N    . ALA   A 1 2   ? -1.405 -8.18   35.396  1   46.615 ? 14  ALA   B N    1 ? 1 
ATOM   11   C CA   . ALA   A 1 2   ? -0.276 -9.078  35.559  1   44.462 ? 14  ALA   B CA   1 ? 1 
ATOM   12   C C    . ALA   A 1 2   ? 1.024  -8.354  35.222  1   36.547 ? 14  ALA   B C    1 ? 1 
ATOM   13   O O    . ALA   A 1 2   ? 2.035  -8.537  35.909  1   37.153 ? 14  ALA   B O    1 ? 1 
ATOM   14   C CB   . ALA   A 1 2   ? -0.461 -10.349 34.745  1   43.492 ? 14  ALA   B CB   1 ? 1 
ATOM   15   H H    . ALA   A 1 2   ? -2.073 -8.374  34.802  1   47.662 ? 14  ALA   B H    1 c 1 
ATOM   16   H HA   . ALA   A 1 2   ? -0.235 -9.331  36.523  1   43.615 ? 14  ALA   B HA   1 c 1 
ATOM   17   H HB1  . ALA   A 1 2   ? -1.097 -10.933 35.192  1   44.716 ? 14  ALA   B HB1  1 c 1 
ATOM   18   H HB2  . ALA   A 1 2   ? -0.797 -10.13  33.861  1   43.753 ? 14  ALA   B HB2  1 c 1 
ATOM   19   H HB3  . ALA   A 1 2   ? 0.391  -10.81  34.66   1   42.181 ? 14  ALA   B HB3  1 c 1 
ATOM   20   N N    . PRO   A 1 3   ? 1.15   -7.705  34.053  1   36.559 ? 15  PRO   B N    1 ? 1 
ATOM   21   C CA   . PRO   A 1 3   ? 2.434  -7.094  33.703  1   35.9   ? 15  PRO   B CA   1 ? 1 
ATOM   22   C C    . PRO   A 1 3   ? 2.935  -6.082  34.739  1   37.57  ? 15  PRO   B C    1 ? 1 
ATOM   23   O O    . PRO   A 1 3   ? 4.108  -6.089  35.114  1   32.777 ? 15  PRO   B O    1 ? 1 
ATOM   24   C CB   . PRO   A 1 3   ? 2.133  -6.413  32.325  1   36.89  ? 15  PRO   B CB   1 ? 1 
ATOM   25   C CG   . PRO   A 1 3   ? 0.931  -7.219  31.767  1   38.045 ? 15  PRO   B CG   1 ? 1 
ATOM   26   C CD   . PRO   A 1 3   ? 0.119  -7.587  32.995  1   40.711 ? 15  PRO   B CD   1 ? 1 
ATOM   27   H HA   . PRO   A 1 3   ? 3.108  -7.809  33.579  1   34.875 ? 15  PRO   B HA   1 c 1 
ATOM   28   H HB2  . PRO   A 1 3   ? 1.896  -5.464  32.444  1   37.753 ? 15  PRO   B HB2  1 c 1 
ATOM   29   H HB3  . PRO   A 1 3   ? 2.911  -6.477  31.722  1   35.678 ? 15  PRO   B HB3  1 c 1 
ATOM   30   H HG2  . PRO   A 1 3   ? 0.401  -6.673  31.149  1   39.295 ? 15  PRO   B HG2  1 c 1 
ATOM   31   H HG3  . PRO   A 1 3   ? 1.237  -8.023  31.297  1   37.425 ? 15  PRO   B HG3  1 c 1 
ATOM   32   H HD2  . PRO   A 1 3   ? -0.529 -6.883  33.212  1   41.399 ? 15  PRO   B HD2  1 c 1 
ATOM   33   H HD3  . PRO   A 1 3   ? -0.355 -8.433  32.859  1   40.063 ? 15  PRO   B HD3  1 c 1 
ATOM   34   N N    . ALA   A 1 4   ? 2.021  -5.24   35.25   1   35.636 ? 16  ALA   B N    1 ? 1 
ATOM   35   C CA   . ALA   A 1 4   ? 2.415  -4.274  36.259  1   37.504 ? 16  ALA   B CA   1 ? 1 
ATOM   36   C C    . ALA   A 1 4   ? 2.895  -4.983  37.533  1   37.594 ? 16  ALA   B C    1 ? 1 
ATOM   37   O O    . ALA   A 1 4   ? 3.772  -4.455  38.239  1   38.081 ? 16  ALA   B O    1 ? 1 
ATOM   38   C CB   . ALA   A 1 4   ? 1.247  -3.376  36.535  1   42.866 ? 16  ALA   B CB   1 ? 1 
ATOM   39   H H    . ALA   A 1 4   ? 1.154  -5.266  34.963  1   37.719 ? 16  ALA   B H    1 c 1 
ATOM   40   H HA   . ALA   A 1 4   ? 3.169  -3.731  35.898  1   37.231 ? 16  ALA   B HA   1 c 1 
ATOM   41   H HB1  . ALA   A 1 4   ? 0.991  -2.913  35.719  1   42.25  ? 16  ALA   B HB1  1 c 1 
ATOM   42   H HB2  . ALA   A 1 4   ? 0.496  -3.905  36.853  1   42.77  ? 16  ALA   B HB2  1 c 1 
ATOM   43   H HB3  . ALA   A 1 4   ? 1.489  -2.723  37.212  1   42.812 ? 16  ALA   B HB3  1 c 1 
ATOM   44   N N    . THR   A 1 5   ? 2.279  -6.139  37.863  1   35.662 ? 17  THR   B N    1 ? 1 
ATOM   45   C CA   . THR   A 1 5   ? 2.673  -6.882  39.052  1   36.302 ? 17  THR   B CA   1 ? 1 
ATOM   46   C C    . THR   A 1 5   ? 4.114  -7.346  38.842  1   36.445 ? 17  THR   B C    1 ? 1 
ATOM   47   O O    . THR   A 1 5   ? 4.894  -7.413  39.776  1   32.831 ? 17  THR   B O    1 ? 1 
ATOM   48   C CB   . THR   A 1 5   ? 1.685  -8.032  39.279  1   40.943 ? 17  THR   B CB   1 ? 1 
ATOM   49   O OG1  . THR   A 1 5   ? 0.523  -7.333  39.753  1   43.84  ? 17  THR   B OG1  1 ? 1 
ATOM   50   C CG2  . THR   A 1 5   ? 2.068  -9.017  40.378  1   43.7   ? 17  THR   B CG2  1 ? 1 
ATOM   51   H H    . THR   A 1 5   ? 1.6    -6.459  37.343  1   36.544 ? 17  THR   B H    1 c 1 
ATOM   52   H HA   . THR   A 1 5   ? 2.641  -6.278  39.826  1   38.463 ? 17  THR   B HA   1 c 1 
ATOM   53   H HB   . THR   A 1 5   ? 1.479  -8.503  38.437  1   39.946 ? 17  THR   B HB   1 c 1 
ATOM   54   H HG1  . THR   A 1 5   ? 0.737  -6.863  40.469  0   30     ? 17  THR   B HG1  1 c 1 
ATOM   55   H HG21 . THR   A 1 5   ? 1.312  -9.595  40.574  1   43.904 ? 17  THR   B HG21 1 c 1 
ATOM   56   H HG22 . THR   A 1 5   ? 2.317  -8.528  41.181  1   43.75  ? 17  THR   B HG22 1 c 1 
ATOM   57   H HG23 . THR   A 1 5   ? 2.82   -9.558  40.084  1   41.516 ? 17  THR   B HG23 1 c 1 
ATOM   58   N N    . VAL   A 1 6   ? 4.451  -7.764  37.607  1   33.61  ? 18  VAL   B N    1 ? 1 
ATOM   59   C CA   . VAL   A 1 6   ? 5.807  -8.26   37.379  1   32.25  ? 18  VAL   B CA   1 ? 1 
ATOM   60   C C    . VAL   A 1 6   ? 6.767  -7.086  37.482  1   33.795 ? 18  VAL   B C    1 ? 1 
ATOM   61   O O    . VAL   A 1 6   ? 7.838  -7.264  38.067  1   33.798 ? 18  VAL   B O    1 ? 1 
ATOM   62   C CB   . VAL   A 1 6   ? 6.02   -9.016  36.056  1   31.132 ? 18  VAL   B CB   1 ? 1 
ATOM   63   C CG1  . VAL   A 1 6   ? 7.464  -9.472  35.911  1   30.634 ? 18  VAL   B CG1  1 ? 1 
ATOM   64   C CG2  . VAL   A 1 6   ? 5.052  -10.195 35.926  1   32.407 ? 18  VAL   B CG2  1 ? 1 
ATOM   65   H H    . VAL   A 1 6   ? 3.849  -7.75   36.92   1   33.988 ? 18  VAL   B H    1 c 1 
ATOM   66   H HA   . VAL   A 1 6   ? 6.019  -8.878  38.103  1   32.754 ? 18  VAL   B HA   1 c 1 
ATOM   67   H HB   . VAL   A 1 6   ? 5.827  -8.384  35.325  1   31.288 ? 18  VAL   B HB   1 c 1 
ATOM   68   H HG11 . VAL   A 1 6   ? 7.788  -9.802  36.765  1   30.769 ? 18  VAL   B HG11 1 c 1 
ATOM   69   H HG12 . VAL   A 1 6   ? 8.014  -8.723  35.624  1   30.198 ? 18  VAL   B HG12 1 c 1 
ATOM   70   H HG13 . VAL   A 1 6   ? 7.516  -10.182 35.249  1   29.854 ? 18  VAL   B HG13 1 c 1 
ATOM   71   H HG21 . VAL   A 1 6   ? 5.228  -10.67  35.097  1   31.416 ? 18  VAL   B HG21 1 c 1 
ATOM   72   H HG22 . VAL   A 1 6   ? 4.138  -9.867  35.921  1   33.027 ? 18  VAL   B HG22 1 c 1 
ATOM   73   H HG23 . VAL   A 1 6   ? 5.174  -10.8   36.677  1   32.434 ? 18  VAL   B HG23 1 c 1 
ATOM   74   N N    . THR   A 1 7   ? 6.405  -5.9    36.958  1   35.475 ? 19  THR   B N    1 ? 1 
ATOM   75   C CA   . THR   A 1 7   ? 7.241  -4.704  37.137  1   35.927 ? 19  THR   B CA   1 ? 1 
ATOM   76   C C    . THR   A 1 7   ? 7.516  -4.489  38.619  1   36.118 ? 19  THR   B C    1 ? 1 
ATOM   77   O O    . THR   A 1 7   ? 8.671  -4.291  39.027  1   34.002 ? 19  THR   B O    1 ? 1 
ATOM   78   C CB   . THR   A 1 7   ? 6.572  -3.452  36.571  1   38.976 ? 19  THR   B CB   1 ? 1 
ATOM   79   O OG1  . THR   A 1 7   ? 6.465  -3.79   35.197  1   35.918 ? 19  THR   B OG1  1 ? 1 
ATOM   80   C CG2  . THR   A 1 7   ? 7.319  -2.152  36.808  1   41.61  ? 19  THR   B CG2  1 ? 1 
ATOM   81   H H    . THR   A 1 7   ? 5.631  -5.832  36.477  1   35.449 ? 19  THR   B H    1 c 1 
ATOM   82   H HA   . THR   A 1 7   ? 8.094  -4.846  36.671  1   35.13  ? 19  THR   B HA   1 c 1 
ATOM   83   H HB   . THR   A 1 7   ? 5.667  -3.365  36.952  1   39.545 ? 19  THR   B HB   1 c 1 
ATOM   84   H HG1  . THR   A 1 7   ? 7.258  -3.936  34.862  0   30     ? 19  THR   B HG1  1 c 1 
ATOM   85   H HG21 . THR   A 1 7   ? 7.001  -1.477  36.184  1   41.59  ? 19  THR   B HG21 1 c 1 
ATOM   86   H HG22 . THR   A 1 7   ? 8.271  -2.295  36.673  1   40.319 ? 19  THR   B HG22 1 c 1 
ATOM   87   H HG23 . THR   A 1 7   ? 7.163  -1.848  37.718  1   42.241 ? 19  THR   B HG23 1 c 1 
ATOM   88   N N    . GLU   A 1 8   ? 6.443  -4.567  39.407  1   34.939 ? 20  GLU   B N    1 ? 1 
ATOM   89   C CA   . GLU   A 1 8   ? 6.509  -4.235  40.831  1   38.371 ? 20  GLU   B CA   1 ? 1 
ATOM   90   C C    . GLU   A 1 8   ? 7.284  -5.275  41.637  1   41.173 ? 20  GLU   B C    1 ? 1 
ATOM   91   O O    . GLU   A 1 8   ? 7.956  -4.902  42.634  1   39.284 ? 20  GLU   B O    1 ? 1 
ATOM   92   C CB   . GLU   A 1 8   ? 5.118  -4.105  41.478  1   41.693 ? 20  GLU   B CB   1 ? 1 
ATOM   93   H H    . GLU   A 1 8   ? 5.643  -4.831  39.053  1   35.971 ? 20  GLU   B H    1 c 1 
ATOM   94   H HA   . GLU   A 1 8   ? 6.973  -3.364  40.921  1   39.388 ? 20  GLU   B HA   1 c 1 
ATOM   95   H HB2  . GLU   A 1 8   ? 5.221  -3.865  42.416  0   30     ? 20  GLU   B HB2  1 c 1 
ATOM   96   H HB3  . GLU   A 1 8   ? 4.436  -4.253  40.778  0   30     ? 20  GLU   B HB3  1 c 1 
ATOM   97   N N    . GLN   A 1 9   ? 7.076  -6.575  41.339  1   37.637 ? 21  GLN   B N    1 ? 1 
ATOM   98   C CA   . GLN   A 1 9   ? 7.441  -7.625  42.273  1   37.115 ? 21  GLN   B CA   1 ? 1 
ATOM   99   C C    . GLN   A 1 9   ? 8.379  -8.676  41.685  1   34.389 ? 21  GLN   B C    1 ? 1 
ATOM   100  O O    . GLN   A 1 9   ? 8.795  -9.582  42.445  1   38.774 ? 21  GLN   B O    1 ? 1 
ATOM   101  C CB   . GLN   A 1 9   ? 6.209  -8.373  42.771  1   40.189 ? 21  GLN   B CB   1 ? 1 
ATOM   102  C CG   . GLN   A 1 9   ? 5.235  -7.467  43.508  1   41.918 ? 21  GLN   B CG   1 ? 1 
ATOM   103  C CD   . GLN   A 1 9   ? 3.939  -8.163  43.838  1   46.749 ? 21  GLN   B CD   1 ? 1 
ATOM   104  O OE1  . GLN   A 1 9   ? 3.795  -9.395  43.777  1   43.936 ? 21  GLN   B OE1  1 ? 1 
ATOM   105  N NE2  . GLN   A 1 9   ? 2.978  -7.349  44.226  1   52.632 ? 21  GLN   B NE2  1 ? 1 
ATOM   106  H H    . GLN   A 1 9   ? 6.677  -6.802  40.549  1   37.071 ? 21  GLN   B H    1 c 1 
ATOM   107  H HA   . GLN   A 1 9   ? 7.889  -7.21   43.053  1   38.507 ? 21  GLN   B HA   1 c 1 
ATOM   108  H HB2  . GLN   A 1 9   ? 5.752  -8.779  42.005  1   38.757 ? 21  GLN   B HB2  1 c 1 
ATOM   109  H HB3  . GLN   A 1 9   ? 6.491  -9.094  43.371  1   39.998 ? 21  GLN   B HB3  1 c 1 
ATOM   110  H HG2  . GLN   A 1 9   ? 5.649  -7.153  44.34   1   43.883 ? 21  GLN   B HG2  1 c 1 
ATOM   111  H HG3  . GLN   A 1 9   ? 5.039  -6.681  42.956  1   42.6   ? 21  GLN   B HG3  1 c 1 
ATOM   112  H HE21 . GLN   A 1 9   ? 2.13   -7.585  44.117  1   52.048 ? 21  GLN   B HE21 1 c 1 
ATOM   113  H HE22 . GLN   A 1 9   ? 3.178  -6.567  44.595  1   52.143 ? 21  GLN   B HE22 1 c 1 
ATOM   114  N N    . GLY   A 1 10  ? 8.583  -8.664  40.358  1   31.985 ? 22  GLY   B N    1 ? 1 
ATOM   115  C CA   . GLY   A 1 10  ? 9.353  -9.766  39.791  1   29.905 ? 22  GLY   B CA   1 ? 1 
ATOM   116  C C    . GLY   A 1 10  ? 10.838 -9.645  40.09   1   30.744 ? 22  GLY   B C    1 ? 1 
ATOM   117  O O    . GLY   A 1 10  ? 11.363 -8.579  40.45   1   30.59  ? 22  GLY   B O    1 ? 1 
ATOM   118  H H    . GLY   A 1 10  ? 8.267  -7.997  39.82   1   31.829 ? 22  GLY   B H    1 c 1 
ATOM   119  H HA2  . GLY   A 1 10  ? 9.012  -10.616 40.154  1   30.703 ? 22  GLY   B HA2  1 c 1 
ATOM   120  H HA3  . GLY   A 1 10  ? 9.218  -9.78   38.815  1   29.353 ? 22  GLY   B HA3  1 c 1 
ATOM   121  N N    . GLU   A 1 11  ? 11.468 -10.833 39.995  1   31.755 ? 23  GLU   B N    1 ? 1 
ATOM   122  C CA   . GLU   A 1 11  ? 12.882 -11.028 40.193  1   32.176 ? 23  GLU   B CA   1 ? 1 
ATOM   123  C C    . GLU   A 1 11  ? 13.582 -10.73  38.877  1   30.972 ? 23  GLU   B C    1 ? 1 
ATOM   124  O O    . GLU   A 1 11  ? 13.109 -11.213 37.84   1   30.236 ? 23  GLU   B O    1 ? 1 
ATOM   125  C CB   . GLU   A 1 11  ? 13.058 -12.513 40.512  1   31.884 ? 23  GLU   B CB   1 ? 1 
ATOM   126  C CG   . GLU   A 1 11  ? 14.525 -12.935 40.498  1   37.745 ? 23  GLU   B CG   1 ? 1 
ATOM   127  C CD   . GLU   A 1 11  ? 14.821 -14.364 40.98   1   46.926 ? 23  GLU   B CD   1 ? 1 
ATOM   128  O OE1  . GLU   A 1 11  ? 13.92  -15.225 41.17   1   54.659 ? 23  GLU   B OE1  1 ? 1 
ATOM   129  O OE2  . GLU   A 1 11  ? 16.031 -14.562 41.208  1   47.58  ? 23  GLU   B OE2  1 ? 1 
ATOM   130  H H    . GLU   A 1 11  ? 10.964 -11.566 39.784  1   31.19  ? 23  GLU   B H    1 c 1 
ATOM   131  H HA   . GLU   A 1 11  ? 13.21  -10.436 40.917  1   32.948 ? 23  GLU   B HA   1 c 1 
ATOM   132  H HB2  . GLU   A 1 11  ? 12.672 -12.698 41.393  1   34.166 ? 23  GLU   B HB2  1 c 1 
ATOM   133  H HB3  . GLU   A 1 11  ? 12.568 -13.045 39.85   1   32.415 ? 23  GLU   B HB3  1 c 1 
ATOM   134  H HG2  . GLU   A 1 11  ? 14.869 -12.848 39.584  1   37.071 ? 23  GLU   B HG2  1 c 1 
ATOM   135  H HG3  . GLU   A 1 11  ? 15.035 -12.312 41.059  1   38.79  ? 23  GLU   B HG3  1 c 1 
ATOM   136  N N    . ASP   A 1 12  ? 14.701 -10.049 38.924  1   30.103 ? 24  ASP   B N    1 ? 1 
ATOM   137  C CA   . ASP   A 1 12  ? 15.49  -9.788  37.697  1   27.867 ? 24  ASP   B CA   1 ? 1 
ATOM   138  C C    . ASP   A 1 12  ? 16.409 -10.98  37.471  1   27.751 ? 24  ASP   B C    1 ? 1 
ATOM   139  O O    . ASP   A 1 12  ? 17.324 -11.268 38.284  1   31.332 ? 24  ASP   B O    1 ? 1 
ATOM   140  C CB   . ASP   A 1 12  ? 16.339 -8.553  37.92   1   32.579 ? 24  ASP   B CB   1 ? 1 
ATOM   141  C CG   . ASP   A 1 12  ? 17.22  -8.113  36.747  1   33.078 ? 24  ASP   B CG   1 ? 1 
ATOM   142  O OD1  . ASP   A 1 12  ? 17.258 -8.852  35.754  1   27.261 ? 24  ASP   B OD1  1 ? 1 
ATOM   143  O OD2  . ASP   A 1 12  ? 17.907 -7.072  36.844  1   33.397 ? 24  ASP   B OD2  1 ? 1 
ATOM   144  H H    . ASP   A 1 12  ? 15.005 -9.729  39.724  1   31.098 ? 24  ASP   B H    1 c 1 
ATOM   145  H HA   . ASP   A 1 12  ? 14.885 -9.673  36.931  1   27.916 ? 24  ASP   B HA   1 c 1 
ATOM   146  H HB2  . ASP   A 1 12  ? 15.743 -7.807  38.141  1   31.945 ? 24  ASP   B HB2  1 c 1 
ATOM   147  H HB3  . ASP   A 1 12  ? 16.92  -8.706  38.694  1   32.799 ? 24  ASP   B HB3  1 c 1 
ATOM   148  N N    . ILE   A 1 13  ? 16.132 -11.767 36.433  1   27.252 ? 25  ILE   B N    1 ? 1 
ATOM   149  C CA   . ILE   A 1 13  ? 16.939 -12.962 36.211  1   27.42  ? 25  ILE   B CA   1 ? 1 
ATOM   150  C C    . ILE   A 1 13  ? 17.999 -12.75  35.131  1   33.288 ? 25  ILE   B C    1 ? 1 
ATOM   151  O O    . ILE   A 1 13  ? 18.542 -13.753 34.643  1   32.809 ? 25  ILE   B O    1 ? 1 
ATOM   152  C CB   . ILE   A 1 13  ? 16.032 -14.152 35.866  1   28.72  ? 25  ILE   B CB   1 ? 1 
ATOM   153  C CG1  . ILE   A 1 13  ? 15.128 -13.865 34.672  1   29.676 ? 25  ILE   B CG1  1 ? 1 
ATOM   154  C CG2  . ILE   A 1 13  ? 15.2   -14.581 37.109  1   31.725 ? 25  ILE   B CG2  1 ? 1 
ATOM   155  C CD1  . ILE   A 1 13  ? 14.5   -15.157 34.136  1   30.003 ? 25  ILE   B CD1  1 ? 1 
ATOM   156  H H    . ILE   A 1 13  ? 15.456 -11.558 35.855  1   26.388 ? 25  ILE   B H    1 c 1 
ATOM   157  H HA   . ILE   A 1 13  ? 17.4   -13.176 37.044  1   29.751 ? 25  ILE   B HA   1 c 1 
ATOM   158  H HB   . ILE   A 1 13  ? 16.609 -14.904 35.624  1   29.685 ? 25  ILE   B HB   1 c 1 
ATOM   159  H HG12 . ILE   A 1 13  ? 14.417 -13.25  34.944  1   28.923 ? 25  ILE   B HG12 1 c 1 
ATOM   160  H HG13 . ILE   A 1 13  ? 15.65  -13.44  33.962  1   29.054 ? 25  ILE   B HG13 1 c 1 
ATOM   161  H HG21 . ILE   A 1 13  ? 14.77  -15.436 36.936  1   31.012 ? 25  ILE   B HG21 1 c 1 
ATOM   162  H HG22 . ILE   A 1 13  ? 14.52  -13.911 37.294  1   30.657 ? 25  ILE   B HG22 1 c 1 
ATOM   163  H HG23 . ILE   A 1 13  ? 15.785 -14.667 37.88   1   31.933 ? 25  ILE   B HG23 1 c 1 
ATOM   164  H HD11 . ILE   A 1 13  ? 15.195 -15.828 33.999  1   30.395 ? 25  ILE   B HD11 1 c 1 
ATOM   165  H HD12 . ILE   A 1 13  ? 14.056 -14.973 33.287  1   29.315 ? 25  ILE   B HD12 1 c 1 
ATOM   166  H HD13 . ILE   A 1 13  ? 13.846 -15.495 34.776  1   30.107 ? 25  ILE   B HD13 1 c 1 
ATOM   167  N N    . THR   A 1 14  ? 18.3   -11.49  34.76   1   29.723 ? 26  THR   B N    1 ? 1 
ATOM   168  C CA   . THR   A 1 14  ? 19.384 -11.162 33.829  1   31.189 ? 26  THR   B CA   1 ? 1 
ATOM   169  C C    . THR   A 1 14  ? 20.75  -11.277 34.49   1   31.945 ? 26  THR   B C    1 ? 1 
ATOM   170  O O    . THR   A 1 14  ? 20.897 -10.926 35.654  1   33.199 ? 26  THR   B O    1 ? 1 
ATOM   171  C CB   . THR   A 1 14  ? 19.229 -9.788  33.159  1   32.182 ? 26  THR   B CB   1 ? 1 
ATOM   172  O OG1  . THR   A 1 14  ? 19.373 -8.752  34.12   1   31.494 ? 26  THR   B OG1  1 ? 1 
ATOM   173  C CG2  . THR   A 1 14  ? 17.954 -9.77   32.349  1   31.912 ? 26  THR   B CG2  1 ? 1 
ATOM   174  H H    . THR   A 1 14  ? 17.805 -10.802 35.101  1   30.454 ? 26  THR   B H    1 c 1 
ATOM   175  H HA   . THR   A 1 14  ? 19.352 -11.832 33.112  1   30.788 ? 26  THR   B HA   1 c 1 
ATOM   176  H HB   . THR   A 1 14  ? 19.966 -9.698  32.509  1   32.401 ? 26  THR   B HB   1 c 1 
ATOM   177  H HG1  . THR   A 1 14  ? 18.762 -8.845  34.736  0   30     ? 26  THR   B HG1  1 c 1 
ATOM   178  H HG21 . THR   A 1 14  ? 17.826 -8.888  31.964  1   31.536 ? 26  THR   B HG21 1 c 1 
ATOM   179  H HG22 . THR   A 1 14  ? 17.201 -9.985  32.923  1   31.162 ? 26  THR   B HG22 1 c 1 
ATOM   180  H HG23 . THR   A 1 14  ? 18.014 -10.428 31.635  1   31.383 ? 26  THR   B HG23 1 c 1 
ATOM   181  N N    . SER   A 1 15  ? 21.779 -11.634 33.704  1   34.032 ? 27  SER   B N    1 ? 1 
ATOM   182  C CA   . SER   A 1 15  ? 23.15  -11.617 34.202  1   36.415 ? 27  SER   B CA   1 ? 1 
ATOM   183  C C    . SER   A 1 15  ? 23.625 -10.204 34.478  1   35.756 ? 27  SER   B C    1 ? 1 
ATOM   184  O O    . SER   A 1 15  ? 24.348 -9.981  35.445  1   36.771 ? 27  SER   B O    1 ? 1 
ATOM   185  C CB   . SER   A 1 15  ? 24.127 -12.336 33.287  1   42.51  ? 27  SER   B CB   1 ? 1 
ATOM   186  O OG   . SER   A 1 15  ? 23.68  -13.689 33.164  1   46.636 ? 27  SER   B OG   1 ? 1 
ATOM   187  H H    . SER   A 1 15  ? 21.624 -11.891 32.841  1   33.339 ? 27  SER   B H    1 c 1 
ATOM   188  H HA   . SER   A 1 15  ? 23.15  -12.1   35.068  1   37.38  ? 27  SER   B HA   1 c 1 
ATOM   189  H HB2  . SER   A 1 15  ? 24.141 -11.907 32.41   1   41.937 ? 27  SER   B HB2  1 c 1 
ATOM   190  H HB3  . SER   A 1 15  ? 25.024 -12.313 33.671  1   43.872 ? 27  SER   B HB3  1 c 1 
ATOM   191  H HG   . SER   A 1 15  ? 24.224 -14.111 32.663  0   30     ? 27  SER   B HG   1 c 1 
ATOM   192  N N    . LYS   A 1 16  ? 23.239 -9.281  33.62   1   34.081 ? 28  LYS   B N    1 ? 1 
ATOM   193  C CA   . LYS   A 1 16  ? 23.651 -7.892  33.729  1   37.999 ? 28  LYS   B CA   1 ? 1 
ATOM   194  C C    . LYS   A 1 16  ? 22.868 -7.129  34.8    1   36.895 ? 28  LYS   B C    1 ? 1 
ATOM   195  O O    . LYS   A 1 16  ? 23.333 -6.075  35.219  1   35.586 ? 28  LYS   B O    1 ? 1 
ATOM   196  C CB   . LYS   A 1 16  ? 23.428 -7.117  32.426  1   40.319 ? 28  LYS   B CB   1 ? 1 
ATOM   197  C CG   . LYS   A 1 16  ? 24.351 -7.537  31.28   1   50.148 ? 28  LYS   B CG   1 ? 1 
ATOM   198  C CD   . LYS   A 1 16  ? 24.024 -6.781  30      1   54.472 ? 28  LYS   B CD   1 ? 1 
ATOM   199  C CE   . LYS   A 1 16  ? 24.907 -7.188  28.875  1   65.71  ? 28  LYS   B CE   1 ? 1 
ATOM   200  N NZ   . LYS   A 1 16  ? 24.653 -6.317  27.716  1   72.2   ? 28  LYS   B NZ   1 ? 1 
ATOM   201  H H    . LYS   A 1 16  ? 22.696 -9.52   32.925  1   33.897 ? 28  LYS   B H    1 c 1 
ATOM   202  H HA   . LYS   A 1 16  ? 24.615 -7.866  33.957  1   39.273 ? 28  LYS   B HA   1 c 1 
ATOM   203  H HB2  . LYS   A 1 16  ? 22.498 -7.243  32.139  1   39.98  ? 28  LYS   B HB2  1 c 1 
ATOM   204  H HB3  . LYS   A 1 16  ? 23.561 -6.16   32.596  1   41.987 ? 28  LYS   B HB3  1 c 1 
ATOM   205  H HG2  . LYS   A 1 16  ? 25.281 -7.358  31.537  1   50.409 ? 28  LYS   B HG2  1 c 1 
ATOM   206  H HG3  . LYS   A 1 16  ? 24.251 -8.502  31.125  1   48.365 ? 28  LYS   B HG3  1 c 1 
ATOM   207  H HD2  . LYS   A 1 16  ? 23.089 -6.952  29.754  1   54.034 ? 28  LYS   B HD2  1 c 1 
ATOM   208  H HD3  . LYS   A 1 16  ? 24.129 -5.818  30.159  1   56.122 ? 28  LYS   B HD3  1 c 1 
ATOM   209  H HE2  . LYS   A 1 16  ? 25.842 -7.11   29.139  1   66.103 ? 28  LYS   B HE2  1 c 1 
ATOM   210  H HE3  . LYS   A 1 16  ? 24.729 -8.113  28.628  1   63.992 ? 28  LYS   B HE3  1 c 1 
ATOM   211  H HZ1  . LYS   A 1 16  ? 24.849 -5.458  27.928  1   70.622 ? 28  LYS   B HZ1  1 c 1 
ATOM   212  H HZ2  . LYS   A 1 16  ? 23.782 -6.373  27.474  1   68.719 ? 28  LYS   B HZ2  1 c 1 
ATOM   213  H HZ3  . LYS   A 1 16  ? 25.172 -6.576  27.019  1   70.955 ? 28  LYS   B HZ3  1 c 1 
ATOM   214  N N    . LYS   A 1 17  ? 21.816 -7.703  35.366  1   34.62  ? 29  LYS   B N    1 ? 1 
ATOM   215  C CA   . LYS   A 1 17  ? 20.949 -7.008  36.33   1   34.164 ? 29  LYS   B CA   1 ? 1 
ATOM   216  C C    . LYS   A 1 17  ? 20.469 -5.654  35.759  1   36.099 ? 29  LYS   B C    1 ? 1 
ATOM   217  O O    . LYS   A 1 17  ? 20.523 -4.593  36.403  1   35.716 ? 29  LYS   B O    1 ? 1 
ATOM   218  C CB   . LYS   A 1 17  ? 21.622 -6.955  37.707  1   37.352 ? 29  LYS   B CB   1 ? 1 
ATOM   219  C CG   . LYS   A 1 17  ? 21.899 -8.336  38.314  1   39.376 ? 29  LYS   B CG   1 ? 1 
ATOM   220  C CD   . LYS   A 1 17  ? 20.67  -9.079  38.809  1   44.099 ? 29  LYS   B CD   1 ? 1 
ATOM   221  C CE   . LYS   A 1 17  ? 20.93  -10.437 39.522  1   52.81  ? 29  LYS   B CE   1 ? 1 
ATOM   222  N NZ   . LYS   A 1 17  ? 20.78  -11.517 38.509  1   58.509 ? 29  LYS   B NZ   1 ? 1 
ATOM   223  H H    . LYS   A 1 17  ? 21.609 -8.565  35.146  1   34.131 ? 29  LYS   B H    1 c 1 
ATOM   224  H HA   . LYS   A 1 17  ? 20.146 -7.571  36.446  1   33.929 ? 29  LYS   B HA   1 c 1 
ATOM   225  H HB2  . LYS   A 1 17  ? 22.472 -6.471  37.631  1   38.62  ? 29  LYS   B HB2  1 c 1 
ATOM   226  H HB3  . LYS   A 1 17  ? 21.046 -6.453  38.323  1   37.524 ? 29  LYS   B HB3  1 c 1 
ATOM   227  H HG2  . LYS   A 1 17  ? 22.35  -8.886  37.638  1   40.018 ? 29  LYS   B HG2  1 c 1 
ATOM   228  H HG3  . LYS   A 1 17  ? 22.522 -8.223  39.064  1   41.776 ? 29  LYS   B HG3  1 c 1 
ATOM   229  H HD2  . LYS   A 1 17  ? 20.185 -8.49   39.427  1   44.398 ? 29  LYS   B HD2  1 c 1 
ATOM   230  H HD3  . LYS   A 1 17  ? 20.078 -9.238  38.042  1   42.815 ? 29  LYS   B HD3  1 c 1 
ATOM   231  H HE2  . LYS   A 1 17  ? 21.83  -10.459 39.893  1   53.823 ? 29  LYS   B HE2  1 c 1 
ATOM   232  H HE3  . LYS   A 1 17  ? 20.287 -10.571 40.241  1   52.399 ? 29  LYS   B HE3  1 c 1 
ATOM   233  H HZ1  . LYS   A 1 17  ? 21.283 -11.327 37.78   1   56.058 ? 29  LYS   B HZ1  1 c 1 
ATOM   234  H HZ2  . LYS   A 1 17  ? 19.911 -11.588 38.262  1   54.961 ? 29  LYS   B HZ2  1 c 1 
ATOM   235  H HZ3  . LYS   A 1 17  ? 21.054 -12.306 38.861  1   56.935 ? 29  LYS   B HZ3  1 c 1 
ATOM   236  N N    . ASP   A 1 18  ? 19.98  -5.714  34.525  1   35.438 ? 30  ASP   B N    1 ? 1 
ATOM   237  C CA   . ASP   A 1 18  ? 19.413 -4.555  33.841  1   31.851 ? 30  ASP   B CA   1 ? 1 
ATOM   238  C C    . ASP   A 1 18  ? 17.882 -4.58   33.83   1   32.823 ? 30  ASP   B C    1 ? 1 
ATOM   239  O O    . ASP   A 1 18  ? 17.282 -3.892  33.002  1   37.108 ? 30  ASP   B O    1 ? 1 
ATOM   240  C CB   . ASP   A 1 18  ? 19.97  -4.48   32.422  1   34.067 ? 30  ASP   B CB   1 ? 1 
ATOM   241  C CG   . ASP   A 1 18  ? 19.745 -5.707  31.543  1   34.869 ? 30  ASP   B CG   1 ? 1 
ATOM   242  O OD1  . ASP   A 1 18  ? 18.868 -6.496  31.897  1   29.773 ? 30  ASP   B OD1  1 ? 1 
ATOM   243  O OD2  . ASP   A 1 18  ? 20.45  -5.855  30.535  1   30.14  ? 30  ASP   B OD2  1 ? 1 
ATOM   244  H H    . ASP   A 1 18  ? 19.986 -6.516  34.088  1   33.816 ? 30  ASP   B H    1 c 1 
ATOM   245  H HA   . ASP   A 1 18  ? 19.706 -3.742  34.311  1   34.395 ? 30  ASP   B HA   1 c 1 
ATOM   246  H HB2  . ASP   A 1 18  ? 19.581 -3.704  31.967  1   34.09  ? 30  ASP   B HB2  1 c 1 
ATOM   247  H HB3  . ASP   A 1 18  ? 20.937 -4.332  32.483  1   35.108 ? 30  ASP   B HB3  1 c 1 
ATOM   248  N N    . ARG   A 1 19  ? 17.256 -5.475  34.62   1   32.769 ? 31  ARG   B N    1 ? 1 
ATOM   249  C CA   . ARG   A 1 19  ? 15.798 -5.638  34.645  1   33.008 ? 31  ARG   B CA   1 ? 1 
ATOM   250  C C    . ARG   A 1 19  ? 15.197 -5.943  33.272  1   31.372 ? 31  ARG   B C    1 ? 1 
ATOM   251  O O    . ARG   A 1 19  ? 13.992 -5.786  33.07   1   31.626 ? 31  ARG   B O    1 ? 1 
ATOM   252  C CB   . ARG   A 1 19  ? 15.086 -4.422  35.265  1   33.223 ? 31  ARG   B CB   1 ? 1 
ATOM   253  C CG   . ARG   A 1 19  ? 15.526 -4.257  36.721  1   35.815 ? 31  ARG   B CG   1 ? 1 
ATOM   254  C CD   . ARG   A 1 19  ? 14.896 -3.083  37.466  1   39.089 ? 31  ARG   B CD   1 ? 1 
ATOM   255  N NE   . ARG   A 1 19  ? 13.451 -2.957  37.248  1   38.124 ? 31  ARG   B NE   1 ? 1 
ATOM   256  C CZ   . ARG   A 1 19  ? 12.445 -3.584  37.884  1   39.353 ? 31  ARG   B CZ   1 ? 1 
ATOM   257  N NH1  . ARG   A 1 19  ? 12.716 -4.438  38.877  1   36.014 ? 31  ARG   B NH1  1 ? 1 
ATOM   258  N NH2  . ARG   A 1 19  ? 11.162 -3.281  37.549  1   37.884 ? 31  ARG   B NH2  1 ? 1 
ATOM   259  H H    . ARG   A 1 19  ? 17.758 -6.002  35.171  1   33.203 ? 31  ARG   B H    1 c 1 
ATOM   260  H HA   . ARG   A 1 19  ? 15.599 -6.411  35.231  1   32.357 ? 31  ARG   B HA   1 c 1 
ATOM   261  H HB2  . ARG   A 1 19  ? 15.309 -3.611  34.76   1   34.108 ? 31  ARG   B HB2  1 c 1 
ATOM   262  H HB3  . ARG   A 1 19  ? 14.115 -4.552  35.23   1   33.259 ? 31  ARG   B HB3  1 c 1 
ATOM   263  H HG2  . ARG   A 1 19  ? 15.315 -5.084  37.207  1   35.621 ? 31  ARG   B HG2  1 c 1 
ATOM   264  H HG3  . ARG   A 1 19  ? 16.502 -4.152  36.744  1   36.496 ? 31  ARG   B HG3  1 c 1 
ATOM   265  H HD2  . ARG   A 1 19  ? 15.067 -3.19   38.424  1   39.322 ? 31  ARG   B HD2  1 c 1 
ATOM   266  H HD3  . ARG   A 1 19  ? 15.335 -2.257  37.177  1   39.21  ? 31  ARG   B HD3  1 c 1 
ATOM   267  H HE   . ARG   A 1 19  ? 13.208 -2.402  36.622  1   38.564 ? 31  ARG   B HE   1 c 1 
ATOM   268  H HH11 . ARG   A 1 19  ? 13.347 -5.05   38.773  1   36.592 ? 31  ARG   B HH11 1 c 1 
ATOM   269  H HH12 . ARG   A 1 19  ? 12.262 -4.388  39.634  1   37.856 ? 31  ARG   B HH12 1 c 1 
ATOM   270  H HH21 . ARG   A 1 19  ? 10.996 -2.659  36.944  1   38.456 ? 31  ARG   B HH21 1 c 1 
ATOM   271  H HH22 . ARG   A 1 19  ? 10.496 -3.711  37.941  1   38.405 ? 31  ARG   B HH22 1 c 1 
ATOM   272  N N    . GLY   A 1 20  ? 16.005 -6.523  32.37   1   32.616 ? 32  GLY   B N    1 ? 1 
ATOM   273  C CA   . GLY   A 1 20  ? 15.536 -6.85   31.023  1   30.727 ? 32  GLY   B CA   1 ? 1 
ATOM   274  C C    . GLY   A 1 20  ? 14.527 -8.008  30.986  1   30.908 ? 32  GLY   B C    1 ? 1 
ATOM   275  O O    . GLY   A 1 20  ? 13.761 -8.155  30.05   1   28.814 ? 32  GLY   B O    1 ? 1 
ATOM   276  H H    . GLY   A 1 20  ? 16.862 -6.74   32.601  1   32.374 ? 32  GLY   B H    1 c 1 
ATOM   277  H HA2  . GLY   A 1 20  ? 15.122 -6.048  30.629  1   31.445 ? 32  GLY   B HA2  1 c 1 
ATOM   278  H HA3  . GLY   A 1 20  ? 16.313 -7.084  30.472  1   31.37  ? 32  GLY   B HA3  1 c 1 
ATOM   279  N N    . VAL   A 1 21  ? 14.625 -8.951  31.921  1   27.758 ? 33  VAL   B N    1 ? 1 
ATOM   280  C CA   . VAL   A 1 21  ? 13.758 -10.103 32.066  1   23.854 ? 33  VAL   B CA   1 ? 1 
ATOM   281  C C    . VAL   A 1 21  ? 13.396 -10.195 33.547  1   30.586 ? 33  VAL   B C    1 ? 1 
ATOM   282  O O    . VAL   A 1 21  ? 14.295 -10.414 34.369  1   26.34  ? 33  VAL   B O    1 ? 1 
ATOM   283  C CB   . VAL   A 1 21  ? 14.368 -11.431 31.606  1   28.197 ? 33  VAL   B CB   1 ? 1 
ATOM   284  C CG1  . VAL   A 1 21  ? 13.377 -12.614 31.599  1   27.864 ? 33  VAL   B CG1  1 ? 1 
ATOM   285  C CG2  . VAL   A 1 21  ? 15.013 -11.288 30.207  1   28.196 ? 33  VAL   B CG2  1 ? 1 
ATOM   286  H H    . VAL   A 1 21  ? 15.3   -8.862  32.53   1   28.084 ? 33  VAL   B H    1 c 1 
ATOM   287  H HA   . VAL   A 1 21  ? 12.943 -9.943  31.554  1   26.145 ? 33  VAL   B HA   1 c 1 
ATOM   288  H HB   . VAL   A 1 21  ? 15.09  -11.654 32.24   1   27.672 ? 33  VAL   B HB   1 c 1 
ATOM   289  H HG11 . VAL   A 1 21  ? 12.592 -12.377 31.077  1   27.685 ? 33  VAL   B HG11 1 c 1 
ATOM   290  H HG12 . VAL   A 1 21  ? 13.108 -12.821 32.51   1   28.102 ? 33  VAL   B HG12 1 c 1 
ATOM   291  H HG13 . VAL   A 1 21  ? 13.803 -13.394 31.204  1   28.085 ? 33  VAL   B HG13 1 c 1 
ATOM   292  H HG21 . VAL   A 1 21  ? 15.296 -12.162 29.889  1   28.375 ? 33  VAL   B HG21 1 c 1 
ATOM   293  H HG22 . VAL   A 1 21  ? 15.784 -10.7   30.263  1   28.572 ? 33  VAL   B HG22 1 c 1 
ATOM   294  H HG23 . VAL   A 1 21  ? 14.365 -10.913 29.588  1   27.993 ? 33  VAL   B HG23 1 c 1 
ATOM   295  N N    . LEU   A 1 22  ? 12.115 -9.975  33.835  1   26.494 ? 34  LEU   B N    1 ? 1 
ATOM   296  C CA   . LEU   A 1 22  ? 11.586 -10.028 35.193  1   31.093 ? 34  LEU   B CA   1 ? 1 
ATOM   297  C C    . LEU   A 1 22  ? 10.629 -11.205 35.307  1   30.995 ? 34  LEU   B C    1 ? 1 
ATOM   298  O O    . LEU   A 1 22  ? 9.792  -11.431 34.426  1   28.447 ? 34  LEU   B O    1 ? 1 
ATOM   299  C CB   . LEU   A 1 22  ? 10.888 -8.705  35.47   1   27.402 ? 34  LEU   B CB   1 ? 1 
ATOM   300  C CG   . LEU   A 1 22  ? 11.799 -7.482  35.536  1   31.43  ? 34  LEU   B CG   1 ? 1 
ATOM   301  C CD1  . LEU   A 1 22  ? 10.806 -6.306  35.605  1   33.95  ? 34  LEU   B CD1  1 ? 1 
ATOM   302  C CD2  . LEU   A 1 22  ? 12.688 -7.443  36.782  1   31.491 ? 34  LEU   B CD2  1 ? 1 
ATOM   303  H H    . LEU   A 1 22  ? 11.538 -9.78   33.154  1   27.993 ? 34  LEU   B H    1 c 1 
ATOM   304  H HA   . LEU   A 1 22  ? 12.335 -10.147 35.825  1   29.767 ? 34  LEU   B HA   1 c 1 
ATOM   305  H HB2  . LEU   A 1 22  ? 10.218 -8.559  34.763  1   28.907 ? 34  LEU   B HB2  1 c 1 
ATOM   306  H HB3  . LEU   A 1 22  ? 10.41  -8.784  36.328  1   29.739 ? 34  LEU   B HB3  1 c 1 
ATOM   307  H HG   . LEU   A 1 22  ? 12.347 -7.424  34.711  1   30.418 ? 34  LEU   B HG   1 c 1 
ATOM   308  H HD11 . LEU   A 1 22  ? 10.293 -6.265  34.781  1   33.02  ? 34  LEU   B HD11 1 c 1 
ATOM   309  H HD12 . LEU   A 1 22  ? 11.296 -5.475  35.721  1   33.925 ? 34  LEU   B HD12 1 c 1 
ATOM   310  H HD13 . LEU   A 1 22  ? 10.202 -6.433  36.356  1   33.892 ? 34  LEU   B HD13 1 c 1 
ATOM   311  H HD21 . LEU   A 1 22  ? 13.23  -8.247  36.82   1   31.449 ? 34  LEU   B HD21 1 c 1 
ATOM   312  H HD22 . LEU   A 1 22  ? 12.131 -7.391  37.577  1   32.341 ? 34  LEU   B HD22 1 c 1 
ATOM   313  H HD23 . LEU   A 1 22  ? 13.268 -6.664  36.743  1   32.142 ? 34  LEU   B HD23 1 c 1 
ATOM   314  N N    . LYS   A 1 23  ? 10.729 -11.955 36.438  1   26.566 ? 35  LYS   B N    1 ? 1 
ATOM   315  C CA   . LYS   A 1 23  ? 9.985  -13.176 36.656  1   26.595 ? 35  LYS   B CA   1 ? 1 
ATOM   316  C C    . LYS   A 1 23  ? 9.203  -13.261 37.952  1   25.832 ? 35  LYS   B C    1 ? 1 
ATOM   317  O O    . LYS   A 1 23  ? 9.698  -12.883 39.011  1   30.532 ? 35  LYS   B O    1 ? 1 
ATOM   318  C CB   . LYS   A 1 23  ? 10.968 -14.355 36.668  1   28.398 ? 35  LYS   B CB   1 ? 1 
ATOM   319  C CG   . LYS   A 1 23  ? 10.383 -15.765 36.775  1   29.144 ? 35  LYS   B CG   1 ? 1 
ATOM   320  C CD   . LYS   A 1 23  ? 11.334 -16.954 36.915  1   31.031 ? 35  LYS   B CD   1 ? 1 
ATOM   321  C CE   . LYS   A 1 23  ? 10.638 -18.272 36.843  1   29.606 ? 35  LYS   B CE   1 ? 1 
ATOM   322  N NZ   . LYS   A 1 23  ? 11.499 -19.392 37.236  1   30.742 ? 35  LYS   B NZ   1 ? 1 
ATOM   323  H H    . LYS   A 1 23  ? 11.294 -11.672 37.098  1   28.068 ? 35  LYS   B H    1 c 1 
ATOM   324  H HA   . LYS   A 1 23  ? 9.363  -13.299 35.901  1   26.293 ? 35  LYS   B HA   1 c 1 
ATOM   325  H HB2  . LYS   A 1 23  ? 11.5   -14.312 35.846  1   27.439 ? 35  LYS   B HB2  1 c 1 
ATOM   326  H HB3  . LYS   A 1 23  ? 11.585 -14.227 37.42   1   28.521 ? 35  LYS   B HB3  1 c 1 
ATOM   327  H HG2  . LYS   A 1 23  ? 9.774  -15.777 37.545  1   30.065 ? 35  LYS   B HG2  1 c 1 
ATOM   328  H HG3  . LYS   A 1 23  ? 9.827  -15.915 35.979  1   29.015 ? 35  LYS   B HG3  1 c 1 
ATOM   329  H HD2  . LYS   A 1 23  ? 12.007 -16.908 36.201  1   29.705 ? 35  LYS   B HD2  1 c 1 
ATOM   330  H HD3  . LYS   A 1 23  ? 11.803 -16.887 37.775  1   30.851 ? 35  LYS   B HD3  1 c 1 
ATOM   331  H HE2  . LYS   A 1 23  ? 9.859  -18.255 37.427  1   30.65  ? 35  LYS   B HE2  1 c 1 
ATOM   332  H HE3  . LYS   A 1 23  ? 10.327 -18.421 35.932  1   29.63  ? 35  LYS   B HE3  1 c 1 
ATOM   333  H HZ1  . LYS   A 1 23  ? 11.714 -19.32  38.113  1   31.405 ? 35  LYS   B HZ1  1 c 1 
ATOM   334  H HZ2  . LYS   A 1 23  ? 12.258 -19.382 36.742  1   30.432 ? 35  LYS   B HZ2  1 c 1 
ATOM   335  H HZ3  . LYS   A 1 23  ? 11.065 -20.175 37.099  1   31.33  ? 35  LYS   B HZ3  1 c 1 
ATOM   336  N N    . ILE   A 1 24  ? 7.957  -13.736 37.817  1   28.949 ? 36  ILE   B N    1 ? 1 
ATOM   337  C CA   . ILE   A 1 24  ? 7.242  -14.301 38.988  1   32.353 ? 36  ILE   B CA   1 ? 1 
ATOM   338  C C    . ILE   A 1 24  ? 6.848  -15.746 38.736  1   31.771 ? 36  ILE   B C    1 ? 1 
ATOM   339  O O    . ILE   A 1 24  ? 6.256  -16.123 37.707  1   32.765 ? 36  ILE   B O    1 ? 1 
ATOM   340  C CB   . ILE   A 1 24  ? 6.028  -13.473 39.411  1   34.066 ? 36  ILE   B CB   1 ? 1 
ATOM   341  C CG1  . ILE   A 1 24  ? 6.36   -11.97  39.54   1   35.605 ? 36  ILE   B CG1  1 ? 1 
ATOM   342  C CG2  . ILE   A 1 24  ? 5.483  -13.98  40.764  1   39.812 ? 36  ILE   B CG2  1 ? 1 
ATOM   343  C CD1  . ILE   A 1 24  ? 5.128  -11.081 39.727  1   33.688 ? 36  ILE   B CD1  1 ? 1 
ATOM   344  H H    . ILE   A 1 24  ? 7.536  -13.71  37.006  1   28.197 ? 36  ILE   B H    1 c 1 
ATOM   345  H HA   . ILE   A 1 24  ? 7.867  -14.296 39.738  1   32.325 ? 36  ILE   B HA   1 c 1 
ATOM   346  H HB   . ILE   A 1 24  ? 5.33   -13.579 38.735  1   34.758 ? 36  ILE   B HB   1 c 1 
ATOM   347  H HG12 . ILE   A 1 24  ? 6.958  -11.844 40.304  1   34.892 ? 36  ILE   B HG12 1 c 1 
ATOM   348  H HG13 . ILE   A 1 24  ? 6.836  -11.681 38.736  1   33.37  ? 36  ILE   B HG13 1 c 1 
ATOM   349  H HG21 . ILE   A 1 24  ? 4.709  -13.454 41.023  1   39.399 ? 36  ILE   B HG21 1 c 1 
ATOM   350  H HG22 . ILE   A 1 24  ? 6.172  -13.897 41.444  1   38.903 ? 36  ILE   B HG22 1 c 1 
ATOM   351  H HG23 . ILE   A 1 24  ? 5.223  -14.912 40.683  1   38.862 ? 36  ILE   B HG23 1 c 1 
ATOM   352  H HD11 . ILE   A 1 24  ? 4.532  -11.183 38.961  1   34.286 ? 36  ILE   B HD11 1 c 1 
ATOM   353  H HD12 . ILE   A 1 24  ? 5.409  -10.15  39.796  1   34.558 ? 36  ILE   B HD12 1 c 1 
ATOM   354  H HD13 . ILE   A 1 24  ? 4.653  -11.333 40.541  1   35.841 ? 36  ILE   B HD13 1 c 1 
ATOM   355  N N    . VAL   A 1 25  ? 7.149  -16.592 39.731  1   33.529 ? 37  VAL   B N    1 ? 1 
ATOM   356  C CA   . VAL   A 1 25  ? 6.638  -17.953 39.773  1   35.731 ? 37  VAL   B CA   1 ? 1 
ATOM   357  C C    . VAL   A 1 25  ? 5.184  -17.882 40.223  1   36.437 ? 37  VAL   B C    1 ? 1 
ATOM   358  O O    . VAL   A 1 25  ? 4.887  -17.402 41.308  1   34.729 ? 37  VAL   B O    1 ? 1 
ATOM   359  C CB   . VAL   A 1 25  ? 7.474  -18.88  40.686  1   37.225 ? 37  VAL   B CB   1 ? 1 
ATOM   360  C CG1  . VAL   A 1 25  ? 6.851  -20.263 40.903  1   38.403 ? 37  VAL   B CG1  1 ? 1 
ATOM   361  C CG2  . VAL   A 1 25  ? 8.923  -18.984 40.23   1   38.065 ? 37  VAL   B CG2  1 ? 1 
ATOM   362  H H    . VAL   A 1 25  ? 7.694  -16.31  40.407  1   33.966 ? 37  VAL   B H    1 c 1 
ATOM   363  H HA   . VAL   A 1 25  ? 6.665  -18.317 38.867  1   34.738 ? 37  VAL   B HA   1 c 1 
ATOM   364  H HB   . VAL   A 1 25  ? 7.495  -18.448 41.572  1   38.127 ? 37  VAL   B HB   1 c 1 
ATOM   365  H HG11 . VAL   A 1 25  ? 6.536  -20.614 40.054  1   38.106 ? 37  VAL   B HG11 1 c 1 
ATOM   366  H HG12 . VAL   A 1 25  ? 6.103  -20.19  41.52   1   39.644 ? 37  VAL   B HG12 1 c 1 
ATOM   367  H HG13 . VAL   A 1 25  ? 7.517  -20.865 41.275  1   39.225 ? 37  VAL   B HG13 1 c 1 
ATOM   368  H HG21 . VAL   A 1 25  ? 9.417  -19.554 40.843  1   38.504 ? 37  VAL   B HG21 1 c 1 
ATOM   369  H HG22 . VAL   A 1 25  ? 9.325  -18.098 40.219  1   36.746 ? 37  VAL   B HG22 1 c 1 
ATOM   370  H HG23 . VAL   A 1 25  ? 8.956  -19.365 39.337  1   36.849 ? 37  VAL   B HG23 1 c 1 
ATOM   371  N N    . LYS   A 1 26  ? 4.273  -18.381 39.402  1   34.705 ? 38  LYS   B N    1 ? 1 
ATOM   372  C CA   . LYS   A 1 26  ? 2.843  -18.326 39.733  1   39.594 ? 38  LYS   B CA   1 ? 1 
ATOM   373  C C    . LYS   A 1 26  ? 2.362  -19.662 40.232  1   40.217 ? 38  LYS   B C    1 ? 1 
ATOM   374  O O    . LYS   A 1 26  ? 1.477  -19.696 41.089  1   41.42  ? 38  LYS   B O    1 ? 1 
ATOM   375  C CB   . LYS   A 1 26  ? 1.99   -17.89  38.532  1   43.456 ? 38  LYS   B CB   1 ? 1 
ATOM   376  C CG   . LYS   A 1 26  ? 2.32   -16.484 38.109  1   42.137 ? 38  LYS   B CG   1 ? 1 
ATOM   377  C CD   . LYS   A 1 26  ? 2.159  -15.365 39.137  1   48.794 ? 38  LYS   B CD   1 ? 1 
ATOM   378  C CE   . LYS   A 1 26  ? 0.811  -14.855 39.294  1   52.019 ? 38  LYS   B CE   1 ? 1 
ATOM   379  N NZ   . LYS   A 1 26  ? 0.775  -13.805 40.317  1   57.478 ? 38  LYS   B NZ   1 ? 1 
ATOM   380  H H    . LYS   A 1 26  ? 4.531  -18.76  38.611  1   35.151 ? 38  LYS   B H    1 c 1 
ATOM   381  H HA   . LYS   A 1 26  ? 2.717  -17.668 40.461  1   39.942 ? 38  LYS   B HA   1 c 1 
ATOM   382  H HB2  . LYS   A 1 26  ? 2.149  -18.497 37.779  1   42.007 ? 38  LYS   B HB2  1 c 1 
ATOM   383  H HB3  . LYS   A 1 26  ? 1.04   -17.936 38.771  1   43.823 ? 38  LYS   B HB3  1 c 1 
ATOM   384  H HG2  . LYS   A 1 26  ? 3.25   -16.477 37.794  1   42.032 ? 38  LYS   B HG2  1 c 1 
ATOM   385  H HG3  . LYS   A 1 26  ? 1.759  -16.268 37.333  1   43.274 ? 38  LYS   B HG3  1 c 1 
ATOM   386  H HD2  . LYS   A 1 26  ? 2.476  -15.684 40.008  1   48.193 ? 38  LYS   B HD2  1 c 1 
ATOM   387  H HD3  . LYS   A 1 26  ? 2.745  -14.622 38.875  1   46.572 ? 38  LYS   B HD3  1 c 1 
ATOM   388  H HE2  . LYS   A 1 26  ? 0.497  -14.488 38.449  1   52.119 ? 38  LYS   B HE2  1 c 1 
ATOM   389  H HE3  . LYS   A 1 26  ? 0.214  -15.578 39.556  1   53.921 ? 38  LYS   B HE3  1 c 1 
ATOM   390  H HZ1  . LYS   A 1 26  ? 1.335  -13.131 40.087  1   54.872 ? 38  LYS   B HZ1  1 c 1 
ATOM   391  H HZ2  . LYS   A 1 26  ? 1.031  -14.146 41.116  1   56.541 ? 38  LYS   B HZ2  1 c 1 
ATOM   392  H HZ3  . LYS   A 1 26  ? -0.067 -13.479 40.389  1   57.192 ? 38  LYS   B HZ3  1 c 1 
ATOM   393  N N    . ARG   A 1 27  ? 2.895  -20.763 39.67   1   38.416 ? 39  ARG   B N    1 ? 1 
ATOM   394  C CA   . ARG   A 1 27  ? 2.605  -22.078 40.22   1   39.493 ? 39  ARG   B CA   1 ? 1 
ATOM   395  C C    . ARG   A 1 27  ? 3.907  -22.864 40.32   1   43.613 ? 39  ARG   B C    1 ? 1 
ATOM   396  O O    . ARG   A 1 27  ? 4.586  -23.069 39.318  1   38.003 ? 39  ARG   B O    1 ? 1 
ATOM   397  C CB   . ARG   A 1 27  ? 1.627  -22.92  39.385  1   41.174 ? 39  ARG   B CB   1 ? 1 
ATOM   398  C CG   . ARG   A 1 27  ? 1.283  -24.228 40.125  1   44.203 ? 39  ARG   B CG   1 ? 1 
ATOM   399  C CD   . ARG   A 1 27  ? 0.353  -25.131 39.273  1   45.521 ? 39  ARG   B CD   1 ? 1 
ATOM   400  N NE   . ARG   A 1 27  ? 1.117  -25.609 38.099  1   46.093 ? 39  ARG   B NE   1 ? 1 
ATOM   401  C CZ   . ARG   A 1 27  ? 0.574  -26.079 36.962  1   45.751 ? 39  ARG   B CZ   1 ? 1 
ATOM   402  N NH1  . ARG   A 1 27  ? 1.339  -26.47  35.935  1   43.94  ? 39  ARG   B NH1  1 ? 1 
ATOM   403  N NH2  . ARG   A 1 27  ? -0.735 -26.126 36.851  1   45.862 ? 39  ARG   B NH2  1 ? 1 
ATOM   404  H H    . ARG   A 1 27  ? 3.43   -20.695 38.932  1   37.269 ? 39  ARG   B H    1 c 1 
ATOM   405  H HA   . ARG   A 1 27  ? 2.232  -21.965 41.131  1   41.866 ? 39  ARG   B HA   1 c 1 
ATOM   406  H HB2  . ARG   A 1 27  ? 0.805  -22.409 39.226  1   41.422 ? 39  ARG   B HB2  1 c 1 
ATOM   407  H HB3  . ARG   A 1 27  ? 2.031  -23.132 38.516  1   40.138 ? 39  ARG   B HB3  1 c 1 
ATOM   408  H HG2  . ARG   A 1 27  ? 2.107  -24.72  40.328  1   44.019 ? 39  ARG   B HG2  1 c 1 
ATOM   409  H HG3  . ARG   A 1 27  ? 0.835  -24.015 40.972  1   45.293 ? 39  ARG   B HG3  1 c 1 
ATOM   410  H HD2  . ARG   A 1 27  ? 0.047  -25.897 39.801  1   47.979 ? 39  ARG   B HD2  1 c 1 
ATOM   411  H HD3  . ARG   A 1 27  ? -0.428 -24.623 38.974  1   46.101 ? 39  ARG   B HD3  1 c 1 
ATOM   412  H HE   . ARG   A 1 27  ? 1.987  -25.588 38.143  1   44.415 ? 39  ARG   B HE   1 c 1 
ATOM   413  H HH11 . ARG   A 1 27  ? 2.088  -26.035 35.755  1   42.577 ? 39  ARG   B HH11 1 c 1 
ATOM   414  H HH12 . ARG   A 1 27  ? 1.093  -27.16  35.442  1   45.29  ? 39  ARG   B HH12 1 c 1 
ATOM   415  H HH21 . ARG   A 1 27  ? -1.205 -26.627 37.408  1   48.192 ? 39  ARG   B HH21 1 c 1 
ATOM   416  H HH22 . ARG   A 1 27  ? -1.14  -25.661 36.218  1   45.907 ? 39  ARG   B HH22 1 c 1 
ATOM   417  N N    . VAL   A 1 28  ? 4.216  -23.374 41.513  1   42.687 ? 40  VAL   B N    1 ? 1 
ATOM   418  C CA   . VAL   A 1 28  ? 5.468  -24.109 41.714  1   47.326 ? 40  VAL   B CA   1 ? 1 
ATOM   419  C C    . VAL   A 1 28  ? 5.447  -25.483 41.019  1   48.546 ? 40  VAL   B C    1 ? 1 
ATOM   420  O O    . VAL   A 1 28  ? 4.47   -26.25  41.153  1   46.126 ? 40  VAL   B O    1 ? 1 
ATOM   421  C CB   . VAL   A 1 28  ? 5.766  -24.188 43.241  1   47.255 ? 40  VAL   B CB   1 ? 1 
ATOM   422  C CG1  . VAL   A 1 28  ? 6.77   -25.267 43.643  1   54.967 ? 40  VAL   B CG1  1 ? 1 
ATOM   423  C CG2  . VAL   A 1 28  ? 6.262  -22.825 43.738  1   47.881 ? 40  VAL   B CG2  1 ? 1 
ATOM   424  H H    . VAL   A 1 28  ? 3.643  -23.268 42.217  1   45.445 ? 40  VAL   B H    1 c 1 
ATOM   425  H HA   . VAL   A 1 28  ? 6.181  -23.582 41.305  1   44.452 ? 40  VAL   B HA   1 c 1 
ATOM   426  H HB   . VAL   A 1 28  ? 4.914  -24.386 43.696  1   50.492 ? 40  VAL   B HB   1 c 1 
ATOM   427  H HG11 . VAL   A 1 28  ? 7.545  -25.223 43.059  1   51.708 ? 40  VAL   B HG11 1 c 1 
ATOM   428  H HG12 . VAL   A 1 28  ? 6.355  -26.143 43.565  1   54.31  ? 40  VAL   B HG12 1 c 1 
ATOM   429  H HG13 . VAL   A 1 28  ? 7.05   -25.125 44.563  1   53.938 ? 40  VAL   B HG13 1 c 1 
ATOM   430  H HG21 . VAL   A 1 28  ? 6.451  -22.874 44.69   1   48.705 ? 40  VAL   B HG21 1 c 1 
ATOM   431  H HG22 . VAL   A 1 28  ? 5.577  -22.153 43.58   1   46.779 ? 40  VAL   B HG22 1 c 1 
ATOM   432  H HG23 . VAL   A 1 28  ? 7.071  -22.579 43.259  1   45.93  ? 40  VAL   B HG23 1 c 1 
ATOM   433  N N    . GLY   A 1 29  ? 6.605  -25.813 40.401  1   47.288 ? 41  GLY   B N    1 ? 1 
ATOM   434  C CA   . GLY   A 1 29  ? 6.878  -27.085 39.734  1   49.183 ? 41  GLY   B CA   1 ? 1 
ATOM   435  C C    . GLY   A 1 29  ? 7.553  -28.148 40.631  1   56.252 ? 41  GLY   B C    1 ? 1 
ATOM   436  O O    . GLY   A 1 29  ? 7.735  -27.951 41.843  1   55.168 ? 41  GLY   B O    1 ? 1 
ATOM   437  H H    . GLY   A 1 29  ? 7.274  -25.19  40.401  1   46.31  ? 41  GLY   B H    1 c 1 
ATOM   438  H HA2  . GLY   A 1 29  ? 6.028  -27.449 39.392  1   50.623 ? 41  GLY   B HA2  1 c 1 
ATOM   439  H HA3  . GLY   A 1 29  ? 7.458  -26.911 38.956  1   48.66  ? 41  GLY   B HA3  1 c 1 
ATOM   440  N N    . ASN   A 1 30  ? 7.919  -29.303 40.029  1   56.687 ? 42  ASN   B N    1 ? 1 
ATOM   441  C CA   . ASN   A 1 30  ? 8.392  -30.492 40.751  1   59.775 ? 42  ASN   B CA   1 ? 1 
ATOM   442  C C    . ASN   A 1 30  ? 9.841  -30.808 40.368  1   64.299 ? 42  ASN   B C    1 ? 1 
ATOM   443  O O    . ASN   A 1 30  ? 10.24  -30.614 39.23   1   61.118 ? 42  ASN   B O    1 ? 1 
ATOM   444  C CB   . ASN   A 1 30  ? 7.538  -31.722 40.449  1   58.756 ? 42  ASN   B CB   1 ? 1 
ATOM   445  H H    . ASN   A 1 30  ? 7.872  -29.346 39.117  1   56.085 ? 42  ASN   B H    1 c 1 
ATOM   446  H HA   . ASN   A 1 30  ? 8.342  -30.319 41.718  1   60.636 ? 42  ASN   B HA   1 c 1 
ATOM   447  H HB2  . ASN   A 1 30  ? 8.203  -32.435 40.552  0   30     ? 42  ASN   B HB2  1 c 1 
ATOM   448  H HB3  . ASN   A 1 30  ? 6.666  -31.413 40.647  0   30     ? 42  ASN   B HB3  1 c 1 
ATOM   449  N N    . GLY   A 1 31  ? 10.636 -31.305 41.311  1   66.015 ? 43  GLY   B N    1 ? 1 
ATOM   450  C CA   . GLY   A 1 31  ? 11.943 -31.855 40.992  1   71.637 ? 43  GLY   B CA   1 ? 1 
ATOM   451  C C    . GLY   A 1 31  ? 13.029 -30.781 41.026  1   72.18  ? 43  GLY   B C    1 ? 1 
ATOM   452  O O    . GLY   A 1 31  ? 12.746 -29.601 41.239  1   70.547 ? 43  GLY   B O    1 ? 1 
ATOM   453  H H    . GLY   A 1 31  ? 10.359 -31.303 42.182  1   68.064 ? 43  GLY   B H    1 c 1 
ATOM   454  H HA2  . GLY   A 1 31  ? 12.161 -32.562 41.643  1   73.336 ? 43  GLY   B HA2  1 c 1 
ATOM   455  H HA3  . GLY   A 1 31  ? 11.913 -32.267 40.097  1   70.856 ? 43  GLY   B HA3  1 c 1 
ATOM   456  N N    . GLU   A 1 32  ? 14.281 -31.245 40.843  1   71.73  ? 44  GLU   B N    1 ? 1 
ATOM   457  C CA   . GLU   A 1 32  ? 15.484 -30.447 41.043  1   69.267 ? 44  GLU   B CA   1 ? 1 
ATOM   458  C C    . GLU   A 1 32  ? 16.049 -29.958 39.69   1   60.939 ? 44  GLU   B C    1 ? 1 
ATOM   459  O O    . GLU   A 1 32  ? 16.691 -28.929 39.653  1   56.746 ? 44  GLU   B O    1 ? 1 
ATOM   460  C CB   . GLU   A 1 32  ? 16.489 -31.244 41.882  1   68.115 ? 44  GLU   B CB   1 ? 1 
ATOM   461  H H    . GLU   A 1 32  ? 14.382 -32.115 40.58   1   73.226 ? 44  GLU   B H    1 c 1 
ATOM   462  H HA   . GLU   A 1 32  ? 15.234 -29.647 41.572  1   66.433 ? 44  GLU   B HA   1 c 1 
ATOM   463  H HB2  . GLU   A 1 32  ? 17.457 -30.699 41.656  0   30     ? 44  GLU   B HB2  1 c 1 
ATOM   464  H HB3  . GLU   A 1 32  ? 16.051 -31.496 42.57   0   30     ? 44  GLU   B HB3  1 c 1 
ATOM   465  N N    . GLU   A 1 33  ? 15.8   -30.685 38.582  1   57.889 ? 45  GLU   B N    1 ? 1 
ATOM   466  C CA   . GLU   A 1 33  ? 16.353 -30.339 37.285  1   57.63  ? 45  GLU   B CA   1 ? 1 
ATOM   467  C C    . GLU   A 1 33  ? 15.639 -29.101 36.73   1   54.896 ? 45  GLU   B C    1 ? 1 
ATOM   468  O O    . GLU   A 1 33  ? 14.441 -28.918 36.888  1   52.198 ? 45  GLU   B O    1 ? 1 
ATOM   469  C CB   . GLU   A 1 33  ? 16.336 -31.53  36.32   1   61.56  ? 45  GLU   B CB   1 ? 1 
ATOM   470  H H    . GLU   A 1 33  ? 15.265 -31.422 38.645  1   60.377 ? 45  GLU   B H    1 c 1 
ATOM   471  H HA   . GLU   A 1 33  ? 17.306 -30.102 37.423  1   58.251 ? 45  GLU   B HA   1 c 1 
ATOM   472  H HB2  . GLU   A 1 33  ? 17.154 -31.877 36.248  0   30     ? 45  GLU   B HB2  1 c 1 
ATOM   473  H HB3  . GLU   A 1 33  ? 15.302 -31.769 36.324  0   30     ? 45  GLU   B HB3  1 c 1 
ATOM   474  N N    . THR   A 1 34  ? 16.416 -28.262 36.044  1   52.805 ? 46  THR   B N    1 ? 1 
ATOM   475  C CA   . THR   A 1 34  ? 15.913 -27.221 35.166  1   46.456 ? 46  THR   B CA   1 ? 1 
ATOM   476  C C    . THR   A 1 34  ? 16.558 -27.45  33.813  1   49.345 ? 46  THR   B C    1 ? 1 
ATOM   477  O O    . THR   A 1 34  ? 17.606 -28.061 33.701  1   56.481 ? 46  THR   B O    1 ? 1 
ATOM   478  C CB   . THR   A 1 34  ? 16.248 -25.806 35.638  1   42.505 ? 46  THR   B CB   1 ? 1 
ATOM   479  O OG1  . THR   A 1 34  ? 17.655 -25.841 35.807  1   40.891 ? 46  THR   B OG1  1 ? 1 
ATOM   480  C CG2  . THR   A 1 34  ? 15.574 -25.453 36.955  1   40.819 ? 46  THR   B CG2  1 ? 1 
ATOM   481  H H    . THR   A 1 34  ? 17.323 -28.343 36.133  1   52.972 ? 46  THR   B H    1 c 1 
ATOM   482  H HA   . THR   A 1 34  ? 14.941 -27.313 35.086  1   46.804 ? 46  THR   B HA   1 c 1 
ATOM   483  H HB   . THR   A 1 34  ? 16.008 -25.147 34.945  1   40.471 ? 46  THR   B HB   1 c 1 
ATOM   484  H HG1  . THR   A 1 34  ? 18.047 -26.598 36.4    0   30     ? 46  THR   B HG1  1 c 1 
ATOM   485  H HG21 . THR   A 1 34  ? 15.854 -24.566 37.236  1   40.354 ? 46  THR   B HG21 1 c 1 
ATOM   486  H HG22 . THR   A 1 34  ? 15.827 -26.102 37.634  1   42.973 ? 46  THR   B HG22 1 c 1 
ATOM   487  H HG23 . THR   A 1 34  ? 14.609 -25.466 36.841  1   40.692 ? 46  THR   B HG23 1 c 1 
ATOM   488  N N    . PRO   A 1 35  ? 15.943 -26.985 32.72   1   50.771 ? 47  PRO   B N    1 ? 1 
ATOM   489  C CA   . PRO   A 1 35  ? 16.478 -27.258 31.407  1   53.462 ? 47  PRO   B CA   1 ? 1 
ATOM   490  C C    . PRO   A 1 35  ? 17.894 -26.704 31.29   1   64.68  ? 47  PRO   B C    1 ? 1 
ATOM   491  O O    . PRO   A 1 35  ? 18.297 -25.753 31.993  1   59.589 ? 47  PRO   B O    1 ? 1 
ATOM   492  C CB   . PRO   A 1 35  ? 15.49  -26.481 30.516  1   46.574 ? 47  PRO   B CB   1 ? 1 
ATOM   493  C CG   . PRO   A 1 35  ? 14.178 -26.471 31.27   1   45.557 ? 47  PRO   B CG   1 ? 1 
ATOM   494  C CD   . PRO   A 1 35  ? 14.717 -26.19  32.666  1   46.03  ? 47  PRO   B CD   1 ? 1 
ATOM   495  H HA   . PRO   A 1 35  ? 16.45  -28.227 31.206  1   55.529 ? 47  PRO   B HA   1 c 1 
ATOM   496  H HB2  . PRO   A 1 35  ? 15.805 -25.562 30.373  1   46.321 ? 47  PRO   B HB2  1 c 1 
ATOM   497  H HB3  . PRO   A 1 35  ? 15.388 -26.921 29.639  1   48.21  ? 47  PRO   B HB3  1 c 1 
ATOM   498  H HG2  . PRO   A 1 35  ? 13.581 -25.759 30.959  1   44.368 ? 47  PRO   B HG2  1 c 1 
ATOM   499  H HG3  . PRO   A 1 35  ? 13.722 -27.336 31.223  1   47.016 ? 47  PRO   B HG3  1 c 1 
ATOM   500  H HD2  . PRO   A 1 35  ? 14.909 -25.233 32.784  1   45.169 ? 47  PRO   B HD2  1 c 1 
ATOM   501  H HD3  . PRO   A 1 35  ? 14.076 -26.478 33.349  1   46.815 ? 47  PRO   B HD3  1 c 1 
ATOM   502  N N    . MET   A 1 36  ? 18.618 -27.264 30.321  1   64.903 ? 48  MET   B N    1 ? 1 
ATOM   503  C CA   . MET   A 1 36  ? 19.904 -26.687 30.006  1   60.347 ? 48  MET   B CA   1 ? 1 
ATOM   504  C C    . MET   A 1 36  ? 20.062 -26.576 28.517  1   57.608 ? 48  MET   B C    1 ? 1 
ATOM   505  O O    . MET   A 1 36  ? 19.27  -27.135 27.773  1   57.647 ? 48  MET   B O    1 ? 1 
ATOM   506  C CB   . MET   A 1 36  ? 20.993 -27.533 30.619  1   61.154 ? 48  MET   B CB   1 ? 1 
ATOM   507  C CG   . MET   A 1 36  ? 21.038 -27.321 32.092  1   62.239 ? 48  MET   B CG   1 ? 1 
ATOM   508  S SD   . MET   A 1 36  ? 22.343 -28.407 32.665  1   58.378 ? 48  MET   B SD   1 ? 1 
ATOM   509  C CE   . MET   A 1 36  ? 21.429 -29.933 32.425  1   60.299 ? 48  MET   B CE   1 ? 1 
ATOM   510  H H    . MET   A 1 36  ? 18.318 -27.995 29.864  1   64.758 ? 48  MET   B H    1 c 1 
ATOM   511  H HA   . MET   A 1 36  ? 19.944 -25.774 30.388  1   58.897 ? 48  MET   B HA   1 c 1 
ATOM   512  H HB2  . MET   A 1 36  ? 20.816 -28.477 30.421  1   63.221 ? 48  MET   B HB2  1 c 1 
ATOM   513  H HB3  . MET   A 1 36  ? 21.858 -27.29  30.224  1   62.418 ? 48  MET   B HB3  1 c 1 
ATOM   514  H HG2  . MET   A 1 36  ? 21.252 -26.391 32.304  1   59.07  ? 48  MET   B HG2  1 c 1 
ATOM   515  H HG3  . MET   A 1 36  ? 20.188 -27.565 32.508  1   59.879 ? 48  MET   B HG3  1 c 1 
ATOM   516  H HE1  . MET   A 1 36  ? 21.76  -30.61  33.045  1   62.303 ? 48  MET   B HE1  1 c 1 
ATOM   517  H HE2  . MET   A 1 36  ? 20.481 -29.777 32.592  1   58.841 ? 48  MET   B HE2  1 c 1 
ATOM   518  H HE3  . MET   A 1 36  ? 21.553 -30.247 31.51   1   60.965 ? 48  MET   B HE3  1 c 1 
ATOM   519  N N    . ILE   A 1 37  ? 21.076 -25.809 28.124  1   52.581 ? 49  ILE   B N    1 ? 1 
ATOM   520  C CA   . ILE   A 1 37  ? 21.221 -25.529 26.721  1   51.897 ? 49  ILE   B CA   1 ? 1 
ATOM   521  C C    . ILE   A 1 37  ? 21.272 -26.84  25.943  1   53.049 ? 49  ILE   B C    1 ? 1 
ATOM   522  O O    . ILE   A 1 37  ? 22.01  -27.731 26.32   1   65.805 ? 49  ILE   B O    1 ? 1 
ATOM   523  C CB   . ILE   A 1 37  ? 22.515 -24.734 26.527  1   54.834 ? 49  ILE   B CB   1 ? 1 
ATOM   524  C CG1  . ILE   A 1 37  ? 22.49  -23.502 27.464  1   50.881 ? 49  ILE   B CG1  1 ? 1 
ATOM   525  C CG2  . ILE   A 1 37  ? 22.774 -24.5   25.026  1   52.545 ? 49  ILE   B CG2  1 ? 1 
ATOM   526  C CD1  . ILE   A 1 37  ? 23.38  -22.356 27.052  1   55.11  ? 49  ILE   B CD1  1 ? 1 
ATOM   527  H H    . ILE   A 1 37  ? 21.681 -25.484 28.727  1   53.771 ? 49  ILE   B H    1 c 1 
ATOM   528  H HA   . ILE   A 1 37  ? 20.462 -24.994 26.418  1   50.525 ? 49  ILE   B HA   1 c 1 
ATOM   529  H HB   . ILE   A 1 37  ? 23.241 -25.306 26.847  1   55.302 ? 49  ILE   B HB   1 c 1 
ATOM   530  H HG12 . ILE   A 1 37  ? 21.569 -23.174 27.521  1   50.502 ? 49  ILE   B HG12 1 c 1 
ATOM   531  H HG13 . ILE   A 1 37  ? 22.758 -23.788 28.36   1   52.809 ? 49  ILE   B HG13 1 c 1 
ATOM   532  H HG21 . ILE   A 1 37  ? 23.529 -23.9   24.913  1   53.742 ? 49  ILE   B HG21 1 c 1 
ATOM   533  H HG22 . ILE   A 1 37  ? 21.985 -24.106 24.617  1   51.942 ? 49  ILE   B HG22 1 c 1 
ATOM   534  H HG23 . ILE   A 1 37  ? 22.972 -25.347 24.591  1   55.236 ? 49  ILE   B HG23 1 c 1 
ATOM   535  H HD11 . ILE   A 1 37  ? 24.29  -22.679 26.912  1   55.648 ? 49  ILE   B HD11 1 c 1 
ATOM   536  H HD12 . ILE   A 1 37  ? 23.382 -21.679 27.755  1   52.726 ? 49  ILE   B HD12 1 c 1 
ATOM   537  H HD13 . ILE   A 1 37  ? 23.046 -21.961 26.224  1   53.029 ? 49  ILE   B HD13 1 c 1 
ATOM   538  N N    . GLY   A 1 38  ? 20.511 -26.929 24.855  1   50.894 ? 50  GLY   B N    1 ? 1 
ATOM   539  C CA   . GLY   A 1 38  ? 20.422 -28.116 24.012  1   54.469 ? 50  GLY   B CA   1 ? 1 
ATOM   540  C C    . GLY   A 1 38  ? 19.126 -28.911 24.193  1   53.808 ? 50  GLY   B C    1 ? 1 
ATOM   541  O O    . GLY   A 1 38  ? 18.713 -29.626 23.261  1   56.692 ? 50  GLY   B O    1 ? 1 
ATOM   542  H H    . GLY   A 1 38  ? 20.012 -26.201 24.619  1   49.935 ? 50  GLY   B H    1 c 1 
ATOM   543  H HA2  . GLY   A 1 38  ? 20.497 -27.836 23.069  1   54.346 ? 50  GLY   B HA2  1 c 1 
ATOM   544  H HA3  . GLY   A 1 38  ? 21.189 -28.704 24.207  1   56.09  ? 50  GLY   B HA3  1 c 1 
ATOM   545  N N    . ASP   A 1 39  ? 18.503 -28.817 25.379  1   53.462 ? 51  ASP   B N    1 ? 1 
ATOM   546  C CA   . ASP   A 1 39  ? 17.306 -29.604 25.689  1   52.087 ? 51  ASP   B CA   1 ? 1 
ATOM   547  C C    . ASP   A 1 39  ? 16.143 -29.299 24.736  1   54.269 ? 51  ASP   B C    1 ? 1 
ATOM   548  O O    . ASP   A 1 39  ? 15.987 -28.174 24.252  1   52.148 ? 51  ASP   B O    1 ? 1 
ATOM   549  C CB   . ASP   A 1 39  ? 16.839 -29.411 27.131  1   53.053 ? 51  ASP   B CB   1 ? 1 
ATOM   550  C CG   . ASP   A 1 39  ? 17.733 -30.024 28.209  1   51.91  ? 51  ASP   B CG   1 ? 1 
ATOM   551  O OD1  . ASP   A 1 39  ? 18.68  -30.715 27.859  1   55.356 ? 51  ASP   B OD1  1 ? 1 
ATOM   552  O OD2  . ASP   A 1 39  ? 17.507 -29.817 29.407  1   55.597 ? 51  ASP   B OD2  1 ? 1 
ATOM   553  H H    . ASP   A 1 39  ? 18.831 -28.251 26.016  1   51.728 ? 51  ASP   B H    1 c 1 
ATOM   554  H HA   . ASP   A 1 39  ? 17.539 -30.554 25.588  1   55.572 ? 51  ASP   B HA   1 c 1 
ATOM   555  H HB2  . ASP   A 1 39  ? 16.767 -28.45  27.309  1   49.892 ? 51  ASP   B HB2  1 c 1 
ATOM   556  H HB3  . ASP   A 1 39  ? 15.944 -29.8   27.227  1   51.981 ? 51  ASP   B HB3  1 c 1 
ATOM   557  N N    . LYS   A 1 40  ? 15.344 -30.331 24.429  1   53.935 ? 52  LYS   B N    1 ? 1 
ATOM   558  C CA   . LYS   A 1 40  ? 14.078 -30.147 23.744  1   53.836 ? 52  LYS   B CA   1 ? 1 
ATOM   559  C C    . LYS   A 1 40  ? 13.068 -29.793 24.83   1   51.885 ? 52  LYS   B C    1 ? 1 
ATOM   560  O O    . LYS   A 1 40  ? 12.934 -30.546 25.791  1   53.116 ? 52  LYS   B O    1 ? 1 
ATOM   561  C CB   . LYS   A 1 40  ? 13.722 -31.388 22.906  1   60.851 ? 52  LYS   B CB   1 ? 1 
ATOM   562  C CG   . LYS   A 1 40  ? 12.508 -31.217 21.98   1   63.909 ? 52  LYS   B CG   1 ? 1 
ATOM   563  C CD   . LYS   A 1 40  ? 12.226 -32.377 21.025  1   73.34  ? 52  LYS   B CD   1 ? 1 
ATOM   564  C CE   . LYS   A 1 40  ? 10.804 -32.393 20.455  1   75.875 ? 52  LYS   B CE   1 ? 1 
ATOM   565  N NZ   . LYS   A 1 40  ? 10.289 -33.72  20.068  1   83.15  ? 52  LYS   B NZ   1 ? 1 
ATOM   566  H H    . LYS   A 1 40  ? 15.601 -31.178 24.656  1   56.333 ? 52  LYS   B H    1 c 1 
ATOM   567  H HA   . LYS   A 1 40  ? 14.166 -29.376 23.129  1   53.335 ? 52  LYS   B HA   1 c 1 
ATOM   568  H HB2  . LYS   A 1 40  ? 14.498 -31.63  22.358  1   61.87  ? 52  LYS   B HB2  1 c 1 
ATOM   569  H HB3  . LYS   A 1 40  ? 13.543 -32.137 23.515  1   61.672 ? 52  LYS   B HB3  1 c 1 
ATOM   570  H HG2  . LYS   A 1 40  ? 11.715 -31.073 22.54   1   63.567 ? 52  LYS   B HG2  1 c 1 
ATOM   571  H HG3  . LYS   A 1 40  ? 12.642 -30.402 21.449  1   63.276 ? 52  LYS   B HG3  1 c 1 
ATOM   572  H HD2  . LYS   A 1 40  ? 12.865 -32.333 20.28   1   73.151 ? 52  LYS   B HD2  1 c 1 
ATOM   573  H HD3  . LYS   A 1 40  ? 12.386 -33.221 21.501  1   73.834 ? 52  LYS   B HD3  1 c 1 
ATOM   574  H HE2  . LYS   A 1 40  ? 10.2   -32.012 21.115  1   74.238 ? 52  LYS   B HE2  1 c 1 
ATOM   575  H HE3  . LYS   A 1 40  ? 10.779 -31.816 19.671  1   75.753 ? 52  LYS   B HE3  1 c 1 
ATOM   576  H HZ1  . LYS   A 1 40  ? 10.271 -34.264 20.792  1   82.502 ? 52  LYS   B HZ1  1 c 1 
ATOM   577  H HZ2  . LYS   A 1 40  ? 10.826 -34.084 19.436  1   83.587 ? 52  LYS   B HZ2  1 c 1 
ATOM   578  H HZ3  . LYS   A 1 40  ? 9.451  -33.638 19.735  1   82.243 ? 52  LYS   B HZ3  1 c 1 
ATOM   579  N N    . VAL   A 1 41  ? 12.401 -28.635 24.694  1   48.919 ? 53  VAL   B N    1 ? 1 
ATOM   580  C CA   . VAL   A 1 41  ? 11.513 -28.133 25.734  1   47.514 ? 53  VAL   B CA   1 ? 1 
ATOM   581  C C    . VAL   A 1 41  ? 10.078 -28     25.207  1   47.215 ? 53  VAL   B C    1 ? 1 
ATOM   582  O O    . VAL   A 1 41  ? 9.811  -27.643 24.041  1   43.387 ? 53  VAL   B O    1 ? 1 
ATOM   583  C CB   . VAL   A 1 41  ? 12.054 -26.796 26.279  1   46.512 ? 53  VAL   B CB   1 ? 1 
ATOM   584  C CG1  . VAL   A 1 41  ? 11.125 -26.206 27.331  1   46.881 ? 53  VAL   B CG1  1 ? 1 
ATOM   585  C CG2  . VAL   A 1 41  ? 13.479 -26.934 26.795  1   46.275 ? 53  VAL   B CG2  1 ? 1 
ATOM   586  H H    . VAL   A 1 41  ? 12.502 -28.146 23.929  1   48.758 ? 53  VAL   B H    1 c 1 
ATOM   587  H HA   . VAL   A 1 41  ? 11.509 -28.777 26.468  1   48.477 ? 53  VAL   B HA   1 c 1 
ATOM   588  H HB   . VAL   A 1 41  ? 12.076 -26.166 25.521  1   45.783 ? 53  VAL   B HB   1 c 1 
ATOM   589  H HG11 . VAL   A 1 41  ? 10.742 -26.923 27.862  1   47.174 ? 53  VAL   B HG11 1 c 1 
ATOM   590  H HG12 . VAL   A 1 41  ? 10.411 -25.711 26.894  1   45.669 ? 53  VAL   B HG12 1 c 1 
ATOM   591  H HG13 . VAL   A 1 41  ? 11.625 -25.607 27.909  1   45.119 ? 53  VAL   B HG13 1 c 1 
ATOM   592  H HG21 . VAL   A 1 41  ? 13.754 -26.103 27.217  1   45.026 ? 53  VAL   B HG21 1 c 1 
ATOM   593  H HG22 . VAL   A 1 41  ? 14.076 -27.131 26.054  1   47.295 ? 53  VAL   B HG22 1 c 1 
ATOM   594  H HG23 . VAL   A 1 41  ? 13.521 -27.656 27.445  1   47.474 ? 53  VAL   B HG23 1 c 1 
ATOM   595  N N    . TYR   A 1 42  ? 9.122  -28.369 26.086  1   44.691 ? 54  TYR   B N    1 ? 1 
ATOM   596  C CA   . TYR   A 1 42  ? 7.712  -28.368 25.741  1   44.999 ? 54  TYR   B CA   1 ? 1 
ATOM   597  C C    . TYR   A 1 42  ? 6.998  -27.43  26.71   1   44.043 ? 54  TYR   B C    1 ? 1 
ATOM   598  O O    . TYR   A 1 42  ? 7.044  -27.669 27.933  1   42.936 ? 54  TYR   B O    1 ? 1 
ATOM   599  C CB   . TYR   A 1 42  ? 7.118  -29.786 25.847  1   51.753 ? 54  TYR   B CB   1 ? 1 
ATOM   600  C CG   . TYR   A 1 42  ? 7.783  -30.887 25.027  1   53.017 ? 54  TYR   B CG   1 ? 1 
ATOM   601  C CD1  . TYR   A 1 42  ? 9.008  -31.422 25.395  1   54.242 ? 54  TYR   B CD1  1 ? 1 
ATOM   602  C CD2  . TYR   A 1 42  ? 7.196  -31.355 23.859  1   58.059 ? 54  TYR   B CD2  1 ? 1 
ATOM   603  C CE1  . TYR   A 1 42  ? 9.612  -32.421 24.651  1   58.811 ? 54  TYR   B CE1  1 ? 1 
ATOM   604  C CE2  . TYR   A 1 42  ? 7.774  -32.376 23.121  1   60.326 ? 54  TYR   B CE2  1 ? 1 
ATOM   605  C CZ   . TYR   A 1 42  ? 8.983  -32.905 23.524  1   60.889 ? 54  TYR   B CZ   1 ? 1 
ATOM   606  O OH   . TYR   A 1 42  ? 9.583  -33.869 22.778  1   65.195 ? 54  TYR   B OH   1 ? 1 
ATOM   607  H H    . TYR   A 1 42  ? 9.364  -28.626 26.929  1   45.402 ? 54  TYR   B H    1 c 1 
ATOM   608  H HA   . TYR   A 1 42  ? 7.599  -28.034 24.812  1   45.831 ? 54  TYR   B HA   1 c 1 
ATOM   609  H HB2  . TYR   A 1 42  ? 7.137  -30.052 26.792  1   50.619 ? 54  TYR   B HB2  1 c 1 
ATOM   610  H HB3  . TYR   A 1 42  ? 6.171  -29.736 25.586  1   51.12  ? 54  TYR   B HB3  1 c 1 
ATOM   611  H HD1  . TYR   A 1 42  ? 9.433  -31.111 26.178  1   53.408 ? 54  TYR   B HD1  1 c 1 
ATOM   612  H HD2  . TYR   A 1 42  ? 6.356  -31.015 23.595  1   57.132 ? 54  TYR   B HD2  1 c 1 
ATOM   613  H HE1  . TYR   A 1 42  ? 10.437 -32.784 24.925  1   58.927 ? 54  TYR   B HE1  1 c 1 
ATOM   614  H HE2  . TYR   A 1 42  ? 7.358  -32.691 22.337  1   61.918 ? 54  TYR   B HE2  1 c 1 
ATOM   615  H HH   . TYR   A 1 42  ? 9.324  -34.648 23.029  0   30     ? 54  TYR   B HH   1 c 1 
ATOM   616  N N    . VAL   A 1 43  ? 6.285  -26.445 26.136  1   42.055 ? 55  VAL   B N    1 ? 1 
ATOM   617  C CA   . VAL   A 1 43  ? 5.52   -25.497 26.943  1   41.802 ? 55  VAL   B CA   1 ? 1 
ATOM   618  C C    . VAL   A 1 43  ? 4.114  -25.282 26.377  1   43.498 ? 55  VAL   B C    1 ? 1 
ATOM   619  O O    . VAL   A 1 43  ? 3.842  -25.547 25.182  1   42.122 ? 55  VAL   B O    1 ? 1 
ATOM   620  C CB   . VAL   A 1 43  ? 6.243  -24.136 27.004  1   38.601 ? 55  VAL   B CB   1 ? 1 
ATOM   621  C CG1  . VAL   A 1 43  ? 7.662  -24.291 27.502  1   39.37  ? 55  VAL   B CG1  1 ? 1 
ATOM   622  C CG2  . VAL   A 1 43  ? 6.068  -23.39  25.664  1   37.598 ? 55  VAL   B CG2  1 ? 1 
ATOM   623  H H    . VAL   A 1 43  ? 6.272  -26.361 25.226  1   42.872 ? 55  VAL   B H    1 c 1 
ATOM   624  H HA   . VAL   A 1 43  ? 5.442  -25.851 27.848  1   41.844 ? 55  VAL   B HA   1 c 1 
ATOM   625  H HB   . VAL   A 1 43  ? 5.77   -23.599 27.682  1   38.273 ? 55  VAL   B HB   1 c 1 
ATOM   626  H HG11 . VAL   A 1 43  ? 8.207  -24.701 26.809  1   39.509 ? 55  VAL   B HG11 1 c 1 
ATOM   627  H HG12 . VAL   A 1 43  ? 7.669  -24.853 28.294  1   39.484 ? 55  VAL   B HG12 1 c 1 
ATOM   628  H HG13 . VAL   A 1 43  ? 8.026  -23.417 27.723  1   37.561 ? 55  VAL   B HG13 1 c 1 
ATOM   629  H HG21 . VAL   A 1 43  ? 6.758  -22.712 25.58   1   36.631 ? 55  VAL   B HG21 1 c 1 
ATOM   630  H HG22 . VAL   A 1 43  ? 5.195  -22.964 25.638  1   37.931 ? 55  VAL   B HG22 1 c 1 
ATOM   631  H HG23 . VAL   A 1 43  ? 6.144  -24.019 24.927  1   39.015 ? 55  VAL   B HG23 1 c 1 
ATOM   632  N N    . HIS   A 1 44  ? 3.25   -24.731 27.244  1   39.407 ? 56  HIS   B N    1 ? 1 
ATOM   633  C CA   . HIS   A 1 44  ? 2.083  -23.967 26.814  1   41.005 ? 56  HIS   B CA   1 ? 1 
ATOM   634  C C    . HIS   A 1 44  ? 2.372  -22.519 27.164  1   41.613 ? 56  HIS   B C    1 ? 1 
ATOM   635  O O    . HIS   A 1 44  ? 2.978  -22.265 28.192  1   36.663 ? 56  HIS   B O    1 ? 1 
ATOM   636  C CB   . HIS   A 1 44  ? 0.779  -24.513 27.453  1   45.308 ? 56  HIS   B CB   1 ? 1 
ATOM   637  C CG   . HIS   A 1 44  ? 0.172  -25.573 26.622  1   49.787 ? 56  HIS   B CG   1 ? 1 
ATOM   638  N ND1  . HIS   A 1 44  ? -0.069 -25.459 25.255  1   57.099 ? 56  HIS   B ND1  1 ? 1 
ATOM   639  C CD2  . HIS   A 1 44  ? -0.146 -26.826 26.981  1   52.258 ? 56  HIS   B CD2  1 ? 1 
ATOM   640  C CE1  . HIS   A 1 44  ? -0.543 -26.618 24.808  1   63.124 ? 56  HIS   B CE1  1 ? 1 
ATOM   641  N NE2  . HIS   A 1 44  ? -0.602 -27.459 25.837  1   58.536 ? 56  HIS   B NE2  1 ? 1 
ATOM   642  H H    . HIS   A 1 44  ? 3.393  -24.839 28.141  1   40.29  ? 56  HIS   B H    1 c 1 
ATOM   643  H HA   . HIS   A 1 44  ? 2.014  -24.037 25.831  1   42.306 ? 56  HIS   B HA   1 c 1 
ATOM   644  H HB2  . HIS   A 1 44  ? 0.986  -24.877 28.341  1   45.184 ? 56  HIS   B HB2  1 c 1 
ATOM   645  H HB3  . HIS   A 1 44  ? 0.138  -23.776 27.556  1   45.087 ? 56  HIS   B HB3  1 c 1 
ATOM   646  H HD1  . HIS   A 1 44  ? 0.117  -24.738 24.729  0   30     ? 56  HIS   B HD1  1 c 1 
ATOM   647  H HD2  . HIS   A 1 44  ? -0.079 -27.206 27.835  1   53.32  ? 56  HIS   B HD2  1 c 1 
ATOM   648  H HE1  . HIS   A 1 44  ? -0.818 -26.8   23.927  1   62.155 ? 56  HIS   B HE1  1 c 1 
ATOM   649  H HE2  . HIS   A 1 44  ? -0.868 -28.284 25.751  0   30     ? 56  HIS   B HE2  1 c 1 
ATOM   650  N N    . TYR   A 1 45  ? 1.911  -21.575 26.316  1   39.253 ? 57  TYR   B N    1 ? 1 
ATOM   651  C CA   . TYR   A 1 45  ? 2.173  -20.175 26.639  1   36.266 ? 57  TYR   B CA   1 ? 1 
ATOM   652  C C    . TYR   A 1 45  ? 0.964  -19.334 26.206  1   36.148 ? 57  TYR   B C    1 ? 1 
ATOM   653  O O    . TYR   A 1 45  ? 0.241  -19.634 25.24   1   39.389 ? 57  TYR   B O    1 ? 1 
ATOM   654  C CB   . TYR   A 1 45  ? 3.529  -19.656 26.092  1   29.123 ? 57  TYR   B CB   1 ? 1 
ATOM   655  C CG   . TYR   A 1 45  ? 3.488  -19.425 24.584  1   31.634 ? 57  TYR   B CG   1 ? 1 
ATOM   656  C CD1  . TYR   A 1 45  ? 3.048  -18.204 24.064  1   30.56  ? 57  TYR   B CD1  1 ? 1 
ATOM   657  C CD2  . TYR   A 1 45  ? 3.767  -20.446 23.687  1   31.902 ? 57  TYR   B CD2  1 ? 1 
ATOM   658  C CE1  . TYR   A 1 45  ? 2.88   -18.028 22.692  1   36.726 ? 57  TYR   B CE1  1 ? 1 
ATOM   659  C CE2  . TYR   A 1 45  ? 3.65   -20.221 22.317  1   37.027 ? 57  TYR   B CE2  1 ? 1 
ATOM   660  C CZ   . TYR   A 1 45  ? 3.312  -18.989 21.818  1   33.639 ? 57  TYR   B CZ   1 ? 1 
ATOM   661  O OH   . TYR   A 1 45  ? 3.136  -18.781 20.448  1   41.937 ? 57  TYR   B OH   1 ? 1 
ATOM   662  H H    . TYR   A 1 45  ? 1.448  -21.795 25.56   1   40.61  ? 57  TYR   B H    1 c 1 
ATOM   663  H HA   . TYR   A 1 45  ? 2.223  -20.115 27.628  1   34.756 ? 57  TYR   B HA   1 c 1 
ATOM   664  H HB2  . TYR   A 1 45  ? 3.751  -18.811 26.543  1   29.562 ? 57  TYR   B HB2  1 c 1 
ATOM   665  H HB3  . TYR   A 1 45  ? 4.229  -20.315 26.299  1   30.459 ? 57  TYR   B HB3  1 c 1 
ATOM   666  H HD1  . TYR   A 1 45  ? 2.799  -17.511 24.654  1   31.307 ? 57  TYR   B HD1  1 c 1 
ATOM   667  H HD2  . TYR   A 1 45  ? 4.067  -21.283 24.003  1   33.326 ? 57  TYR   B HD2  1 c 1 
ATOM   668  H HE1  . TYR   A 1 45  ? 2.641  -17.18  22.363  1   34.508 ? 57  TYR   B HE1  1 c 1 
ATOM   669  H HE2  . TYR   A 1 45  ? 3.894  -20.905 21.717  1   36.198 ? 57  TYR   B HE2  1 c 1 
ATOM   670  H HH   . TYR   A 1 45  ? 3.819  -18.385 20.117  0   30     ? 57  TYR   B HH   1 c 1 
ATOM   671  N N    . LYS   A 1 46  ? 0.942  -18.152 26.812  1   35.894 ? 58  LYS   B N    1 ? 1 
ATOM   672  C CA   . LYS   A 1 46  ? 0.04   -17.05  26.513  1   40.6   ? 58  LYS   B CA   1 ? 1 
ATOM   673  C C    . LYS   A 1 46  ? 0.935  -15.824 26.494  1   39.536 ? 58  LYS   B C    1 ? 1 
ATOM   674  O O    . LYS   A 1 46  ? 1.558  -15.525 27.499  1   40.588 ? 58  LYS   B O    1 ? 1 
ATOM   675  C CB   . LYS   A 1 46  ? -1.022 -16.771 27.601  1   38.571 ? 58  LYS   B CB   1 ? 1 
ATOM   676  H H    . LYS   A 1 46  ? 1.548  -18.02  27.484  1   35.454 ? 58  LYS   B H    1 c 1 
ATOM   677  H HA   . LYS   A 1 46  ? -0.373 -17.187 25.623  1   40.404 ? 58  LYS   B HA   1 c 1 
ATOM   678  H HB2  . LYS   A 1 46  ? -0.524 -16.528 28.463  0   30     ? 58  LYS   B HB2  1 c 1 
ATOM   679  H HB3  . LYS   A 1 46  ? -1.909 -16.847 27.265  0   30     ? 58  LYS   B HB3  1 c 1 
ATOM   680  N N    . GLY   A 1 47  ? 1.033  -15.137 25.337  1   38.91  ? 59  GLY   B N    1 ? 1 
ATOM   681  C CA   . GLY   A 1 47  ? 1.845  -13.945 25.25   1   39.28  ? 59  GLY   B CA   1 ? 1 
ATOM   682  C C    . GLY   A 1 47  ? 1.026  -12.756 24.793  1   40.124 ? 59  GLY   B C    1 ? 1 
ATOM   683  O O    . GLY   A 1 47  ? -0.095 -12.922 24.311  1   47.227 ? 59  GLY   B O    1 ? 1 
ATOM   684  H H    . GLY   A 1 47  ? 0.582  -15.424 24.595  1   40.591 ? 59  GLY   B H    1 c 1 
ATOM   685  H HA2  . GLY   A 1 47  ? 2.24   -13.754 26.131  1   37.8   ? 59  GLY   B HA2  1 c 1 
ATOM   686  H HA3  . GLY   A 1 47  ? 2.581  -14.102 24.614  1   38.307 ? 59  GLY   B HA3  1 c 1 
ATOM   687  N N    . LYS   A 1 48  ? 1.584  -11.568 25.015  1   35.79  ? 60  LYS   B N    1 ? 1 
ATOM   688  C CA   . LYS   A 1 48  ? 0.962  -10.345 24.514  1   40.008 ? 60  LYS   B CA   1 ? 1 
ATOM   689  C C    . LYS   A 1 48  ? 1.985  -9.237  24.606  1   38.225 ? 60  LYS   B C    1 ? 1 
ATOM   690  O O    . LYS   A 1 48  ? 2.98   -9.399  25.315  1   33.307 ? 60  LYS   B O    1 ? 1 
ATOM   691  C CB   . LYS   A 1 48  ? -0.298 -9.928  25.288  1   38.474 ? 60  LYS   B CB   1 ? 1 
ATOM   692  C CG   . LYS   A 1 48  ? -0.139 -9.685  26.794  1   39.583 ? 60  LYS   B CG   1 ? 1 
ATOM   693  C CD   . LYS   A 1 48  ? -1.24  -8.843  27.448  1   41.253 ? 60  LYS   B CD   1 ? 1 
ATOM   694  H H    . LYS   A 1 48  ? 2.365  -11.512 25.488  1   36.036 ? 60  LYS   B H    1 c 1 
ATOM   695  H HA   . LYS   A 1 48  ? 0.73   -10.485 23.563  1   39.769 ? 60  LYS   B HA   1 c 1 
ATOM   696  H HB2  . LYS   A 1 48  ? -0.643 -9.103  24.885  1   40.67  ? 60  LYS   B HB2  1 c 1 
ATOM   697  H HB3  . LYS   A 1 48  ? -0.98  -10.622 25.162  1   40.626 ? 60  LYS   B HB3  1 c 1 
ATOM   698  H HG2  . LYS   A 1 48  ? -0.104 -10.558 27.243  1   38.688 ? 60  LYS   B HG2  1 c 1 
ATOM   699  H HG3  . LYS   A 1 48  ? 0.724  -9.243  26.947  1   37.906 ? 60  LYS   B HG3  1 c 1 
ATOM   700  H HD2  . LYS   A 1 48  ? -0.578 -7.954  27.713  0   30     ? 60  LYS   B HD2  1 c 1 
ATOM   701  H HD3  . LYS   A 1 48  ? -2.014 -8.987  27.147  0   30     ? 60  LYS   B HD3  1 c 1 
ATOM   702  N N    . LEU   A 1 49  ? 1.792  -8.207  23.778  1   36.048 ? 61  LEU   B N    1 ? 1 
ATOM   703  C CA   . LEU   A 1 49  ? 2.467  -6.935  23.999  1   41.695 ? 61  LEU   B CA   1 ? 1 
ATOM   704  C C    . LEU   A 1 49  ? 2.031  -6.414  25.371  1   39.006 ? 61  LEU   B C    1 ? 1 
ATOM   705  O O    . LEU   A 1 49  ? 0.884  -6.567  25.751  1   39.696 ? 61  LEU   B O    1 ? 1 
ATOM   706  C CB   . LEU   A 1 49  ? 2.151  -5.891  22.931  1   40.527 ? 61  LEU   B CB   1 ? 1 
ATOM   707  C CG   . LEU   A 1 49  ? 2.284  -6.334  21.473  1   41.776 ? 61  LEU   B CG   1 ? 1 
ATOM   708  C CD1  . LEU   A 1 49  ? 1.969  -5.255  20.456  1   43.148 ? 61  LEU   B CD1  1 ? 1 
ATOM   709  C CD2  . LEU   A 1 49  ? 3.645  -6.858  21.19   1   41.175 ? 61  LEU   B CD2  1 ? 1 
ATOM   710  H H    . LEU   A 1 49  ? 1.222  -8.293  23.07   1   39.344 ? 61  LEU   B H    1 c 1 
ATOM   711  H HA   . LEU   A 1 49  ? 3.444  -7.099  24.017  1   38.129 ? 61  LEU   B HA   1 c 1 
ATOM   712  H HB2  . LEU   A 1 49  ? 1.229  -5.577  23.074  1   42.6   ? 61  LEU   B HB2  1 c 1 
ATOM   713  H HB3  . LEU   A 1 49  ? 2.746  -5.119  23.074  1   40.968 ? 61  LEU   B HB3  1 c 1 
ATOM   714  H HG   . LEU   A 1 49  ? 1.644  -7.075  21.321  1   42.264 ? 61  LEU   B HG   1 c 1 
ATOM   715  H HD11 . LEU   A 1 49  ? 1.074  -4.91   20.615  1   44.672 ? 61  LEU   B HD11 1 c 1 
ATOM   716  H HD12 . LEU   A 1 49  ? 2.016  -5.628  19.56   1   44.021 ? 61  LEU   B HD12 1 c 1 
ATOM   717  H HD13 . LEU   A 1 49  ? 2.613  -4.532  20.539  1   43.009 ? 61  LEU   B HD13 1 c 1 
ATOM   718  H HD21 . LEU   A 1 49  ? 3.793  -7.674  21.698  1   39.844 ? 61  LEU   B HD21 1 c 1 
ATOM   719  H HD22 . LEU   A 1 49  ? 4.308  -6.195  21.446  1   40.309 ? 61  LEU   B HD22 1 c 1 
ATOM   720  H HD23 . LEU   A 1 49  ? 3.73   -7.051  20.241  1   41.611 ? 61  LEU   B HD23 1 c 1 
ATOM   721  N N    . SER   A 1 50  ? 2.945  -5.834  26.155  1   37.939 ? 62  SER   B N    1 ? 1 
ATOM   722  C CA   . SER   A 1 50  ? 2.51   -5.489  27.503  1   42.064 ? 62  SER   B CA   1 ? 1 
ATOM   723  C C    . SER   A 1 50  ? 1.411  -4.425  27.48   1   45.159 ? 62  SER   B C    1 ? 1 
ATOM   724  O O    . SER   A 1 50  ? 0.627  -4.397  28.415  1   54.447 ? 62  SER   B O    1 ? 1 
ATOM   725  C CB   . SER   A 1 50  ? 3.657  -5.083  28.389  1   45.794 ? 62  SER   B CB   1 ? 1 
ATOM   726  O OG   . SER   A 1 50  ? 4.272  -3.93   27.873  1   49.511 ? 62  SER   B OG   1 ? 1 
ATOM   727  H H    . SER   A 1 50  ? 3.797  -5.658  25.875  1   38.064 ? 62  SER   B H    1 c 1 
ATOM   728  H HA   . SER   A 1 50  ? 2.114  -6.307  27.899  1   42.07  ? 62  SER   B HA   1 c 1 
ATOM   729  H HB2  . SER   A 1 50  ? 3.326  -4.903  29.289  1   45.722 ? 62  SER   B HB2  1 c 1 
ATOM   730  H HB3  . SER   A 1 50  ? 4.307  -5.809  28.435  1   44.147 ? 62  SER   B HB3  1 c 1 
ATOM   731  H HG   . SER   A 1 50  ? 4.928  -3.698  28.41   0   30     ? 62  SER   B HG   1 c 1 
ATOM   732  N N    . ASN   A 1 51  ? 1.364  -3.589  26.428  1   53.05  ? 63  ASN   B N    1 ? 1 
ATOM   733  C CA   . ASN   A 1 51  ? 0.249  -2.71   26.044  1   65.573 ? 63  ASN   B CA   1 ? 1 
ATOM   734  C C    . ASN   A 1 51  ? -1.099 -3.439  26.013  1   74.559 ? 63  ASN   B C    1 ? 1 
ATOM   735  O O    . ASN   A 1 51  ? -2.114 -2.877  26.411  1   85.706 ? 63  ASN   B O    1 ? 1 
ATOM   736  C CB   . ASN   A 1 51  ? 0.446  -2.092  24.656  1   59.741 ? 63  ASN   B CB   1 ? 1 
ATOM   737  H H    . ASN   A 1 51  ? 2.113  -3.555  25.904  1   52.283 ? 63  ASN   B H    1 c 1 
ATOM   738  H HA   . ASN   A 1 51  ? 0.196  -1.974  26.695  1   63.966 ? 63  ASN   B HA   1 c 1 
ATOM   739  H HB2  . ASN   A 1 51  ? 1.401  -1.954  24.521  0   30     ? 63  ASN   B HB2  1 c 1 
ATOM   740  H HB3  . ASN   A 1 51  ? -0.431 -1.849  24.304  0   30     ? 63  ASN   B HB3  1 c 1 
ATOM   741  N N    . GLY   A 1 52  ? -1.126 -4.68   25.522  1   81.369 ? 64  GLY   B N    1 ? 1 
ATOM   742  C CA   . GLY   A 1 52  ? -2.279 -5.557  25.678  1   70.504 ? 64  GLY   B CA   1 ? 1 
ATOM   743  C C    . GLY   A 1 52  ? -2.968 -5.807  24.343  1   77.231 ? 64  GLY   B C    1 ? 1 
ATOM   744  O O    . GLY   A 1 52  ? -3.989 -6.489  24.316  1   80.206 ? 64  GLY   B O    1 ? 1 
ATOM   745  H H    . GLY   A 1 52  ? -0.392 -4.998  25.08   1   74.771 ? 64  GLY   B H    1 c 1 
ATOM   746  H HA2  . GLY   A 1 52  ? -1.981 -6.414  26.059  1   72.775 ? 64  GLY   B HA2  1 c 1 
ATOM   747  H HA3  . GLY   A 1 52  ? -2.918 -5.151  26.309  1   75.486 ? 64  GLY   B HA3  1 c 1 
ATOM   748  N N    . LYS   A 1 53  ? -2.374 -5.313  23.238  1   83.618 ? 65  LYS   B N    1 ? 1 
ATOM   749  C CA   . LYS   A 1 53  ? -3.111 -5.068  22.003  1   79.203 ? 65  LYS   B CA   1 ? 1 
ATOM   750  C C    . LYS   A 1 53  ? -2.899 -6.195  20.98   1   82.557 ? 65  LYS   B C    1 ? 1 
ATOM   751  O O    . LYS   A 1 53  ? -3.437 -6.097  19.879  1   85.047 ? 65  LYS   B O    1 ? 1 
ATOM   752  C CB   . LYS   A 1 53  ? -2.784 -3.666  21.453  1   73.144 ? 65  LYS   B CB   1 ? 1 
ATOM   753  H H    . LYS   A 1 53  ? -1.476 -5.141  23.251  1   78.765 ? 65  LYS   B H    1 c 1 
ATOM   754  H HA   . LYS   A 1 53  ? -4.076 -5.057  22.229  1   81.449 ? 65  LYS   B HA   1 c 1 
ATOM   755  H HB2  . LYS   A 1 53  ? -1.769 -3.53   21.405  0   30     ? 65  LYS   B HB2  1 c 1 
ATOM   756  H HB3  . LYS   A 1 53  ? -3.587 -3.167  21.265  0   30     ? 65  LYS   B HB3  1 c 1 
ATOM   757  N N    . LYS   A 1 54  ? -2.117 -7.243  21.309  1   73.025 ? 66  LYS   B N    1 ? 1 
ATOM   758  C CA   . LYS   A 1 54  ? -2.056 -8.521  20.583  1   62.431 ? 66  LYS   B CA   1 ? 1 
ATOM   759  C C    . LYS   A 1 54  ? -1.76  -9.581  21.643  1   58.924 ? 66  LYS   B C    1 ? 1 
ATOM   760  O O    . LYS   A 1 54  ? -0.995 -9.236  22.538  1   58.641 ? 66  LYS   B O    1 ? 1 
ATOM   761  C CB   . LYS   A 1 54  ? -0.937 -8.58   19.522  1   55.987 ? 66  LYS   B CB   1 ? 1 
ATOM   762  H H    . LYS   A 1 54  ? -1.574 -7.149  22.038  1   70.427 ? 66  LYS   B H    1 c 1 
ATOM   763  H HA   . LYS   A 1 54  ? -2.939 -8.703  20.17   1   64.998 ? 66  LYS   B HA   1 c 1 
ATOM   764  H HB2  . LYS   A 1 54  ? -0.056 -8.531  19.971  0   30     ? 66  LYS   B HB2  1 c 1 
ATOM   765  H HB3  . LYS   A 1 54  ? -1.339 -8.578  18.627  0   30     ? 66  LYS   B HB3  1 c 1 
ATOM   766  N N    . PHE   A 1 55  ? -2.259 -10.818 21.469  1   52.691 ? 67  PHE   B N    1 ? 1 
ATOM   767  C CA   . PHE   A 1 55  ? -2.516 -11.832 22.503  1   55.362 ? 67  PHE   B CA   1 ? 1 
ATOM   768  C C    . PHE   A 1 55  ? -2.433 -13.236 21.883  1   49.763 ? 67  PHE   B C    1 ? 1 
ATOM   769  O O    . PHE   A 1 55  ? -3.402 -13.724 21.355  1   55.996 ? 67  PHE   B O    1 ? 1 
ATOM   770  C CB   . PHE   A 1 55  ? -3.874 -11.555 23.153  1   47.499 ? 67  PHE   B CB   1 ? 1 
ATOM   771  H H    . PHE   A 1 55  ? -2.462 -11.05  20.608  1   56.162 ? 67  PHE   B H    1 c 1 
ATOM   772  H HA   . PHE   A 1 55  ? -1.815 -11.75  23.198  1   49.753 ? 67  PHE   B HA   1 c 1 
ATOM   773  H HB2  . PHE   A 1 55  ? -3.761 -11.177 24      0   30     ? 67  PHE   B HB2  1 c 1 
ATOM   774  H HB3  . PHE   A 1 55  ? -4.604 -11.84  22.475  0   30     ? 67  PHE   B HB3  1 c 1 
ATOM   775  N N    . ASP   A 1 56  ? -1.252 -13.871 21.855  1   48.279 ? 68  ASP   B N    1 ? 1 
ATOM   776  C CA   . ASP   A 1 56  ? -0.938 -15.087 21.093  1   45.751 ? 68  ASP   B CA   1 ? 1 
ATOM   777  C C    . ASP   A 1 56  ? -0.785 -16.256 22.044  1   45.301 ? 68  ASP   B C    1 ? 1 
ATOM   778  O O    . ASP   A 1 56  ? -0.07  -16.152 23.062  1   39.212 ? 68  ASP   B O    1 ? 1 
ATOM   779  C CB   . ASP   A 1 56  ? 0.43   -14.971 20.412  1   43.736 ? 68  ASP   B CB   1 ? 1 
ATOM   780  C CG   . ASP   A 1 56  ? 1.071  -16.224 19.791  1   44.579 ? 68  ASP   B CG   1 ? 1 
ATOM   781  O OD1  . ASP   A 1 56  ? 0.389  -16.935 19.012  1   47.641 ? 68  ASP   B OD1  1 ? 1 
ATOM   782  O OD2  . ASP   A 1 56  ? 2.299  -16.438 20.009  1   45.858 ? 68  ASP   B OD2  1 ? 1 
ATOM   783  H H    . ASP   A 1 56  ? -0.58  -13.513 22.361  1   45.915 ? 68  ASP   B H    1 c 1 
ATOM   784  H HA   . ASP   A 1 56  ? -1.653 -15.266 20.441  1   48.199 ? 68  ASP   B HA   1 c 1 
ATOM   785  H HB2  . ASP   A 1 56  ? 0.353  -14.302 19.701  1   44.716 ? 68  ASP   B HB2  1 c 1 
ATOM   786  H HB3  . ASP   A 1 56  ? 1.063  -14.62  21.073  1   42.375 ? 68  ASP   B HB3  1 c 1 
ATOM   787  N N    . SER   A 1 57  ? -1.344 -17.409 21.681  1   48.384 ? 69  SER   B N    1 ? 1 
ATOM   788  C CA   . SER   A 1 57  ? -1.329 -18.547 22.606  1   48.87  ? 69  SER   B CA   1 ? 1 
ATOM   789  C C    . SER   A 1 57  ? -1.168 -19.88  21.866  1   50.586 ? 69  SER   B C    1 ? 1 
ATOM   790  O O    . SER   A 1 57  ? -1.759 -20.067 20.787  1   49.705 ? 69  SER   B O    1 ? 1 
ATOM   791  C CB   . SER   A 1 57  ? -2.597 -18.608 23.441  1   57.606 ? 69  SER   B CB   1 ? 1 
ATOM   792  O OG   . SER   A 1 57  ? -2.563 -19.749 24.286  1   55.859 ? 69  SER   B OG   1 ? 1 
ATOM   793  H H    . SER   A 1 57  ? -1.735 -17.5   20.86   1   49.707 ? 69  SER   B H    1 c 1 
ATOM   794  H HA   . SER   A 1 57  ? -0.558 -18.438 23.216  1   48.058 ? 69  SER   B HA   1 c 1 
ATOM   795  H HB2  . SER   A 1 57  ? -2.669 -17.8   23.984  1   54.598 ? 69  SER   B HB2  1 c 1 
ATOM   796  H HB3  . SER   A 1 57  ? -3.373 -18.658 22.853  1   57.288 ? 69  SER   B HB3  1 c 1 
ATOM   797  H HG   . SER   A 1 57  ? -3.227 -19.772 24.762  0   30     ? 69  SER   B HG   1 c 1 
ATOM   798  N N    . SER   A 1 58  ? -0.329 -20.756 22.445  1   45.466 ? 70  SER   B N    1 ? 1 
ATOM   799  C CA   . SER   A 1 58  ? -0.174 -22.131 21.99   1   47.278 ? 70  SER   B CA   1 ? 1 
ATOM   800  C C    . SER   A 1 58  ? -1.523 -22.833 21.885  1   51.618 ? 70  SER   B C    1 ? 1 
ATOM   801  O O    . SER   A 1 58  ? -1.719 -23.66  20.978  1   53.672 ? 70  SER   B O    1 ? 1 
ATOM   802  C CB   . SER   A 1 58  ? 0.739  -22.939 22.867  1   45.133 ? 70  SER   B CB   1 ? 1 
ATOM   803  O OG   . SER   A 1 58  ? 0.532  -22.694 24.259  1   40.949 ? 70  SER   B OG   1 ? 1 
ATOM   804  H H    . SER   A 1 58  ? 0.17   -20.479 23.159  1   44.915 ? 70  SER   B H    1 c 1 
ATOM   805  H HA   . SER   A 1 58  ? 0.221  -22.103 21.083  1   47.73  ? 70  SER   B HA   1 c 1 
ATOM   806  H HB2  . SER   A 1 58  ? 0.599  -23.888 22.685  1   46.08  ? 70  SER   B HB2  1 c 1 
ATOM   807  H HB3  . SER   A 1 58  ? 1.665  -22.728 22.64   1   43.345 ? 70  SER   B HB3  1 c 1 
ATOM   808  H HG   . SER   A 1 58  ? 1.059  -23.166 24.69   0   30     ? 70  SER   B HG   1 c 1 
ATOM   809  N N    . HIS   A 1 59  ? -2.422 -22.514 22.834  1   53.935 ? 71  HIS   B N    1 ? 1 
ATOM   810  C CA   . HIS   A 1 59  ? -3.756 -23.114 22.845  1   54.508 ? 71  HIS   B CA   1 ? 1 
ATOM   811  C C    . HIS   A 1 59  ? -4.519 -22.782 21.566  1   58.872 ? 71  HIS   B C    1 ? 1 
ATOM   812  O O    . HIS   A 1 59  ? -5.27  -23.631 21.111  1   63.054 ? 71  HIS   B O    1 ? 1 
ATOM   813  C CB   . HIS   A 1 59  ? -4.539 -22.771 24.123  1   52.908 ? 71  HIS   B CB   1 ? 1 
ATOM   814  C CG   . HIS   A 1 59  ? -3.896 -23.301 25.375  1   53.18  ? 71  HIS   B CG   1 ? 1 
ATOM   815  N ND1  . HIS   A 1 59  ? -3.629 -24.641 25.588  1   55.22  ? 71  HIS   B ND1  1 ? 1 
ATOM   816  C CD2  . HIS   A 1 59  ? -3.367 -22.644 26.422  1   51.511 ? 71  HIS   B CD2  1 ? 1 
ATOM   817  C CE1  . HIS   A 1 59  ? -3.048 -24.779 26.773  1   56.053 ? 71  HIS   B CE1  1 ? 1 
ATOM   818  N NE2  . HIS   A 1 59  ? -2.858 -23.589 27.287  1   53.075 ? 71  HIS   B NE2  1 ? 1 
ATOM   819  H H    . HIS   A 1 59  ? -2.198 -21.923 23.493  1   51.267 ? 71  HIS   B H    1 c 1 
ATOM   820  H HA   . HIS   A 1 59  ? -3.61  -24.09  22.856  1   56.033 ? 71  HIS   B HA   1 c 1 
ATOM   821  H HB2  . HIS   A 1 59  ? -4.617 -21.795 24.192  1   52.749 ? 71  HIS   B HB2  1 c 1 
ATOM   822  H HB3  . HIS   A 1 59  ? -5.445 -23.143 24.047  1   55.989 ? 71  HIS   B HB3  1 c 1 
ATOM   823  H HD1  . HIS   A 1 59  ? -3.793 -25.301 25.025  0   30     ? 71  HIS   B HD1  1 c 1 
ATOM   824  H HD2  . HIS   A 1 59  ? -3.377 -21.718 26.565  1   50.737 ? 71  HIS   B HD2  1 c 1 
ATOM   825  H HE1  . HIS   A 1 59  ? -2.776 -25.595 27.155  1   55.75  ? 71  HIS   B HE1  1 c 1 
ATOM   826  H HE2  . HIS   A 1 59  ? -2.465 -23.449 28.07   0   30     ? 71  HIS   B HE2  1 c 1 
ATOM   827  N N    . ASP   A 1 60  ? -4.317 -21.585 20.973  1   60.837 ? 72  ASP   B N    1 ? 1 
ATOM   828  C CA   . ASP   A 1 60  ? -4.915 -21.261 19.669  1   72.764 ? 72  ASP   B CA   1 ? 1 
ATOM   829  C C    . ASP   A 1 60  ? -4.529 -22.302 18.59   1   78.412 ? 72  ASP   B C    1 ? 1 
ATOM   830  O O    . ASP   A 1 60  ? -5.133 -22.346 17.514  1   81.761 ? 72  ASP   B O    1 ? 1 
ATOM   831  C CB   . ASP   A 1 60  ? -4.56  -19.872 19.104  1   73.081 ? 72  ASP   B CB   1 ? 1 
ATOM   832  C CG   . ASP   A 1 60  ? -4.832 -18.608 19.928  1   74.406 ? 72  ASP   B CG   1 ? 1 
ATOM   833  O OD1  . ASP   A 1 60  ? -5.946 -18.557 20.51   1   67.13  ? 72  ASP   B OD1  1 ? 1 
ATOM   834  O OD2  . ASP   A 1 60  ? -3.926 -17.662 19.939  1   62.499 ? 72  ASP   B OD2  1 ? 1 
ATOM   835  H H    . ASP   A 1 60  ? -3.805 -20.955 21.392  1   59.892 ? 72  ASP   B H    1 c 1 
ATOM   836  H HA   . ASP   A 1 60  ? -5.893 -21.281 19.775  1   73.556 ? 72  ASP   B HA   1 c 1 
ATOM   837  H HB2  . ASP   A 1 60  ? -3.604 -19.875 18.889  1   71.611 ? 72  ASP   B HB2  1 c 1 
ATOM   838  H HB3  . ASP   A 1 60  ? -5.043 -19.767 18.258  1   75.307 ? 72  ASP   B HB3  1 c 1 
ATOM   839  N N    . ARG   A 1 61  ? -3.51  -23.144 18.854  1   79.475 ? 73  ARG   B N    1 ? 1 
ATOM   840  C CA   . ARG   A 1 61  ? -3.106 -24.183 17.912  1   76.907 ? 73  ARG   B CA   1 ? 1 
ATOM   841  C C    . ARG   A 1 61  ? -3.34  -25.592 18.478  1   74.698 ? 73  ARG   B C    1 ? 1 
ATOM   842  O O    . ARG   A 1 61  ? -2.981 -26.582 17.838  1   72.575 ? 73  ARG   B O    1 ? 1 
ATOM   843  C CB   . ARG   A 1 61  ? -1.658 -23.966 17.468  1   73.241 ? 73  ARG   B CB   1 ? 1 
ATOM   844  C CG   . ARG   A 1 61  ? -1.541 -22.936 16.343  1   76.88  ? 73  ARG   B CG   1 ? 1 
ATOM   845  C CD   . ARG   A 1 61  ? -1.23  -21.499 16.71   1   74.11  ? 73  ARG   B CD   1 ? 1 
ATOM   846  N NE   . ARG   A 1 61  ? -0.064 -21.538 17.607  1   74.651 ? 73  ARG   B NE   1 ? 1 
ATOM   847  C CZ   . ARG   A 1 61  ? 0.495  -20.574 18.33   1   70.696 ? 73  ARG   B CZ   1 ? 1 
ATOM   848  N NH1  . ARG   A 1 61  ? 0.113  -19.323 18.174  1   70.373 ? 73  ARG   B NH1  1 ? 1 
ATOM   849  N NH2  . ARG   A 1 61  ? 1.489  -20.885 19.161  1   63.547 ? 73  ARG   B NH2  1 ? 1 
ATOM   850  H H    . ARG   A 1 61  ? -3.027 -23.042 19.622  1   75.358 ? 73  ARG   B H    1 c 1 
ATOM   851  H HA   . ARG   A 1 61  ? -3.673 -24.097 17.104  1   78.817 ? 73  ARG   B HA   1 c 1 
ATOM   852  H HB2  . ARG   A 1 61  ? -1.132 -23.667 18.239  1   72.122 ? 73  ARG   B HB2  1 c 1 
ATOM   853  H HB3  . ARG   A 1 61  ? -1.283 -24.818 17.159  1   75.266 ? 73  ARG   B HB3  1 c 1 
ATOM   854  H HG2  . ARG   A 1 61  ? -0.845 -23.246 15.723  1   76.285 ? 73  ARG   B HG2  1 c 1 
ATOM   855  H HG3  . ARG   A 1 61  ? -2.378 -22.944 15.83   1   78.237 ? 73  ARG   B HG3  1 c 1 
ATOM   856  H HD2  . ARG   A 1 61  ? -1.018 -20.974 15.911  1   75.321 ? 73  ARG   B HD2  1 c 1 
ATOM   857  H HD3  . ARG   A 1 61  ? -1.99  -21.086 17.17   1   75.11  ? 73  ARG   B HD3  1 c 1 
ATOM   858  H HE   . ARG   A 1 61  ? 0.351  -22.301 17.657  1   73.492 ? 73  ARG   B HE   1 c 1 
ATOM   859  H HH11 . ARG   A 1 61  ? 0      -18.996 17.36   1   71.341 ? 73  ARG   B HH11 1 c 1 
ATOM   860  H HH12 . ARG   A 1 61  ? -0.029 -18.816 18.885  1   69.117 ? 73  ARG   B HH12 1 c 1 
ATOM   861  H HH21 . ARG   A 1 61  ? 1.714  -21.73  19.291  1   65.288 ? 73  ARG   B HH21 1 c 1 
ATOM   862  H HH22 . ARG   A 1 61  ? 1.923  -20.24  19.582  1   63.176 ? 73  ARG   B HH22 1 c 1 
ATOM   863  N N    . ASN   A 1 62  ? -3.973 -25.674 19.658  1   69.642 ? 74  ASN   B N    1 ? 1 
ATOM   864  C CA   . ASN   A 1 62  ? -4.419 -26.936 20.231  1   71.056 ? 74  ASN   B CA   1 ? 1 
ATOM   865  C C    . ASN   A 1 62  ? -3.232 -27.907 20.373  1   71.009 ? 74  ASN   B C    1 ? 1 
ATOM   866  O O    . ASN   A 1 62  ? -3.427 -29.118 20.295  1   76.432 ? 74  ASN   B O    1 ? 1 
ATOM   867  C CB   . ASN   A 1 62  ? -5.644 -27.462 19.457  1   68.408 ? 74  ASN   B CB   1 ? 1 
ATOM   868  H H    . ASN   A 1 62  ? -4.134 -24.908 20.128  1   69.428 ? 74  ASN   B H    1 c 1 
ATOM   869  H HA   . ASN   A 1 62  ? -4.733 -26.74  21.141  1   69.294 ? 74  ASN   B HA   1 c 1 
ATOM   870  H HB2  . ASN   A 1 62  ? -5.341 -27.989 18.727  0   30     ? 74  ASN   B HB2  1 c 1 
ATOM   871  H HB3  . ASN   A 1 62  ? -6.45  -27.141 19.937  0   30     ? 74  ASN   B HB3  1 c 1 
ATOM   872  N N    . GLU   A 1 63  ? -2.001 -27.402 20.586  1   67.943 ? 75  GLU   B N    1 ? 1 
ATOM   873  C CA   . GLU   A 1 63  ? -0.847 -28.284 20.77   1   67.254 ? 75  GLU   B CA   1 ? 1 
ATOM   874  C C    . GLU   A 1 63  ? 0.268  -27.528 21.493  1   61.017 ? 75  GLU   B C    1 ? 1 
ATOM   875  O O    . GLU   A 1 63  ? 0.351  -26.299 21.408  1   57.313 ? 75  GLU   B O    1 ? 1 
ATOM   876  C CB   . GLU   A 1 63  ? -0.225 -28.862 19.487  1   68.839 ? 75  GLU   B CB   1 ? 1 
ATOM   877  C CG   . GLU   A 1 63  ? 0.492  -27.837 18.597  1   70.338 ? 75  GLU   B CG   1 ? 1 
ATOM   878  C CD   . GLU   A 1 63  ? 0.94   -28.274 17.19   1   74.483 ? 75  GLU   B CD   1 ? 1 
ATOM   879  O OE1  . GLU   A 1 63  ? 1.562  -27.444 16.479  1   74.354 ? 75  GLU   B OE1  1 ? 1 
ATOM   880  O OE2  . GLU   A 1 63  ? 0.714  -29.426 16.773  1   76.76  ? 75  GLU   B OE2  1 ? 1 
ATOM   881  H H    . GLU   A 1 63  ? -1.879 -26.497 20.631  1   66.194 ? 75  GLU   B H    1 c 1 
ATOM   882  H HA   . GLU   A 1 63  ? -1.134 -29.039 21.339  1   67.988 ? 75  GLU   B HA   1 c 1 
ATOM   883  H HB2  . GLU   A 1 63  ? 0.417  -29.559 19.736  1   69.652 ? 75  GLU   B HB2  1 c 1 
ATOM   884  H HB3  . GLU   A 1 63  ? -0.934 -29.287 18.96   1   71.993 ? 75  GLU   B HB3  1 c 1 
ATOM   885  H HG2  . GLU   A 1 63  ? -0.096 -27.059 18.494  1   69.667 ? 75  GLU   B HG2  1 c 1 
ATOM   886  H HG3  . GLU   A 1 63  ? 1.288  -27.521 19.074  1   67.845 ? 75  GLU   B HG3  1 c 1 
ATOM   887  N N    . PRO   A 1 64  ? 1.148  -28.241 22.234  1   58.674 ? 76  PRO   B N    1 ? 1 
ATOM   888  C CA   . PRO   A 1 64  ? 2.283  -27.606 22.922  1   54.918 ? 76  PRO   B CA   1 ? 1 
ATOM   889  C C    . PRO   A 1 64  ? 3.286  -26.968 21.964  1   54.97  ? 76  PRO   B C    1 ? 1 
ATOM   890  O O    . PRO   A 1 64  ? 3.399  -27.406 20.808  1   54.001 ? 76  PRO   B O    1 ? 1 
ATOM   891  C CB   . PRO   A 1 64  ? 2.95   -28.778 23.642  1   57.496 ? 76  PRO   B CB   1 ? 1 
ATOM   892  C CG   . PRO   A 1 64  ? 1.858  -29.796 23.815  1   63.399 ? 76  PRO   B CG   1 ? 1 
ATOM   893  C CD   . PRO   A 1 64  ? 1.062  -29.686 22.507  1   65.436 ? 76  PRO   B CD   1 ? 1 
ATOM   894  H HA   . PRO   A 1 64  ? 1.955  -26.942 23.578  1   54.375 ? 76  PRO   B HA   1 c 1 
ATOM   895  H HB2  . PRO   A 1 64  ? 3.69   -29.148 23.105  1   58.117 ? 76  PRO   B HB2  1 c 1 
ATOM   896  H HB3  . PRO   A 1 64  ? 3.305  -28.495 24.517  1   56.222 ? 76  PRO   B HB3  1 c 1 
ATOM   897  H HG2  . PRO   A 1 64  ? 2.228  -30.696 23.927  1   64.028 ? 76  PRO   B HG2  1 c 1 
ATOM   898  H HG3  . PRO   A 1 64  ? 1.295  -29.583 24.588  1   62.454 ? 76  PRO   B HG3  1 c 1 
ATOM   899  H HD2  . PRO   A 1 64  ? 1.48   -30.213 21.79   1   65.519 ? 76  PRO   B HD2  1 c 1 
ATOM   900  H HD3  . PRO   A 1 64  ? 0.134  -29.978 22.635  1   65.992 ? 76  PRO   B HD3  1 c 1 
ATOM   901  N N    . PHE   A 1 65  ? 3.959  -25.917 22.448  1   48.571 ? 77  PHE   B N    1 ? 1 
ATOM   902  C CA   . PHE   A 1 65  ? 4.996  -25.218 21.701  1   46.709 ? 77  PHE   B CA   1 ? 1 
ATOM   903  C C    . PHE   A 1 65  ? 6.34   -25.83  22.09   1   46.199 ? 77  PHE   B C    1 ? 1 
ATOM   904  O O    . PHE   A 1 65  ? 6.686  -25.968 23.273  1   40.617 ? 77  PHE   B O    1 ? 1 
ATOM   905  C CB   . PHE   A 1 65  ? 4.975  -23.702 21.897  1   45.556 ? 77  PHE   B CB   1 ? 1 
ATOM   906  C CG   . PHE   A 1 65  ? 6.081  -22.983 21.137  1   44.069 ? 77  PHE   B CG   1 ? 1 
ATOM   907  C CD1  . PHE   A 1 65  ? 6.048  -22.851 19.749  1   50.613 ? 77  PHE   B CD1  1 ? 1 
ATOM   908  C CD2  . PHE   A 1 65  ? 7.202  -22.553 21.809  1   45.385 ? 77  PHE   B CD2  1 ? 1 
ATOM   909  C CE1  . PHE   A 1 65  ? 7.117  -22.242 19.065  1   49.253 ? 77  PHE   B CE1  1 ? 1 
ATOM   910  C CE2  . PHE   A 1 65  ? 8.256  -21.945 21.144  1   49.131 ? 77  PHE   B CE2  1 ? 1 
ATOM   911  C CZ   . PHE   A 1 65  ? 8.201  -21.76  19.779  1   47.4   ? 77  PHE   B CZ   1 ? 1 
ATOM   912  H H    . PHE   A 1 65  ? 3.761  -25.622 23.29   1   48.323 ? 77  PHE   B H    1 c 1 
ATOM   913  H HA   . PHE   A 1 65  ? 4.845  -25.396 20.736  1   48.336 ? 77  PHE   B HA   1 c 1 
ATOM   914  H HB2  . PHE   A 1 65  ? 4.104  -23.358 21.597  1   45.767 ? 77  PHE   B HB2  1 c 1 
ATOM   915  H HB3  . PHE   A 1 65  ? 5.066  -23.507 22.857  1   44.044 ? 77  PHE   B HB3  1 c 1 
ATOM   916  H HD1  . PHE   A 1 65  ? 5.299  -23.164 19.267  1   50.623 ? 77  PHE   B HD1  1 c 1 
ATOM   917  H HD2  . PHE   A 1 65  ? 7.244  -22.656 22.746  1   44.81  ? 77  PHE   B HD2  1 c 1 
ATOM   918  H HE1  . PHE   A 1 65  ? 7.072  -22.119 18.13   1   50.49  ? 77  PHE   B HE1  1 c 1 
ATOM   919  H HE2  . PHE   A 1 65  ? 8.997  -21.624 21.634  1   46.223 ? 77  PHE   B HE2  1 c 1 
ATOM   920  H HZ   . PHE   A 1 65  ? 8.922  -21.351 19.327  1   47.841 ? 77  PHE   B HZ   1 c 1 
ATOM   921  N N    . VAL   A 1 66  ? 7.071  -26.246 21.057  1   44.448 ? 78  VAL   B N    1 ? 1 
ATOM   922  C CA   . VAL   A 1 66  ? 8.252  -27.064 21.261  1   46.905 ? 78  VAL   B CA   1 ? 1 
ATOM   923  C C    . VAL   A 1 66  ? 9.46   -26.336 20.682  1   47.216 ? 78  VAL   B C    1 ? 1 
ATOM   924  O O    . VAL   A 1 66  ? 9.377  -25.887 19.529  1   47.464 ? 78  VAL   B O    1 ? 1 
ATOM   925  C CB   . VAL   A 1 66  ? 8.063  -28.446 20.602  1   52.018 ? 78  VAL   B CB   1 ? 1 
ATOM   926  C CG1  . VAL   A 1 66  ? 9.326  -29.306 20.698  1   54.939 ? 78  VAL   B CG1  1 ? 1 
ATOM   927  C CG2  . VAL   A 1 66  ? 6.848  -29.202 21.156  1   55.179 ? 78  VAL   B CG2  1 ? 1 
ATOM   928  H H    . VAL   A 1 66  ? 6.836  -26.011 20.206  1   46.231 ? 78  VAL   B H    1 c 1 
ATOM   929  H HA   . VAL   A 1 66  ? 8.386  -27.189 22.217  1   46.324 ? 78  VAL   B HA   1 c 1 
ATOM   930  H HB   . VAL   A 1 66  ? 7.893  -28.284 19.644  1   53.127 ? 78  VAL   B HB   1 c 1 
ATOM   931  H HG11 . VAL   A 1 66  ? 9.623  -29.346 21.623  1   53.533 ? 78  VAL   B HG11 1 c 1 
ATOM   932  H HG12 . VAL   A 1 66  ? 10.029 -28.919 20.149  1   54.178 ? 78  VAL   B HG12 1 c 1 
ATOM   933  H HG13 . VAL   A 1 66  ? 9.13   -30.203 20.382  1   56.712 ? 78  VAL   B HG13 1 c 1 
ATOM   934  H HG21 . VAL   A 1 66  ? 6.877  -30.128 20.861  1   56.737 ? 78  VAL   B HG21 1 c 1 
ATOM   935  H HG22 . VAL   A 1 66  ? 6.031  -28.786 20.833  1   54.651 ? 78  VAL   B HG22 1 c 1 
ATOM   936  H HG23 . VAL   A 1 66  ? 6.863  -29.173 22.127  1   53.649 ? 78  VAL   B HG23 1 c 1 
ATOM   937  N N    . PHE   A 1 67  ? 10.572 -26.31  21.431  1   44.645 ? 79  PHE   B N    1 ? 1 
ATOM   938  C CA   . PHE   A 1 67  ? 11.809 -25.682 20.966  1   44.158 ? 79  PHE   B CA   1 ? 1 
ATOM   939  C C    . PHE   A 1 67  ? 13.028 -26.217 21.736  1   47.846 ? 79  PHE   B C    1 ? 1 
ATOM   940  O O    . PHE   A 1 67  ? 12.879 -26.793 22.803  1   44.154 ? 79  PHE   B O    1 ? 1 
ATOM   941  C CB   . PHE   A 1 67  ? 11.771 -24.157 21.14   1   41.936 ? 79  PHE   B CB   1 ? 1 
ATOM   942  C CG   . PHE   A 1 67  ? 11.926 -23.657 22.577  1   39.871 ? 79  PHE   B CG   1 ? 1 
ATOM   943  C CD1  . PHE   A 1 67  ? 10.879 -23.743 23.483  1   41.367 ? 79  PHE   B CD1  1 ? 1 
ATOM   944  C CD2  . PHE   A 1 67  ? 13.095 -23.024 22.983  1   38.295 ? 79  PHE   B CD2  1 ? 1 
ATOM   945  C CE1  . PHE   A 1 67  ? 11.021 -23.24  24.788  1   37.656 ? 79  PHE   B CE1  1 ? 1 
ATOM   946  C CE2  . PHE   A 1 67  ? 13.248 -22.576 24.284  1   35.331 ? 79  PHE   B CE2  1 ? 1 
ATOM   947  C CZ   . PHE   A 1 67  ? 12.188 -22.645 25.158  1   35.794 ? 79  PHE   B CZ   1 ? 1 
ATOM   948  H H    . PHE   A 1 67  ? 10.561 -26.695 22.26   1   44.914 ? 79  PHE   B H    1 c 1 
ATOM   949  H HA   . PHE   A 1 67  ? 11.927 -25.89  20.001  1   46.155 ? 79  PHE   B HA   1 c 1 
ATOM   950  H HB2  . PHE   A 1 67  ? 12.487 -23.766 20.592  1   41.961 ? 79  PHE   B HB2  1 c 1 
ATOM   951  H HB3  . PHE   A 1 67  ? 10.916 -23.827 20.784  1   41.773 ? 79  PHE   B HB3  1 c 1 
ATOM   952  H HD1  . PHE   A 1 67  ? 10.064 -24.138 23.218  1   41.104 ? 79  PHE   B HD1  1 c 1 
ATOM   953  H HD2  . PHE   A 1 67  ? 13.821 -22.963 22.382  1   38.705 ? 79  PHE   B HD2  1 c 1 
ATOM   954  H HE1  . PHE   A 1 67  ? 10.309 -23.313 25.403  1   37.672 ? 79  PHE   B HE1  1 c 1 
ATOM   955  H HE2  . PHE   A 1 67  ? 14.05  -22.151 24.545  1   35.531 ? 79  PHE   B HE2  1 c 1 
ATOM   956  H HZ   . PHE   A 1 67  ? 12.292 -22.331 26.042  1   34.977 ? 79  PHE   B HZ   1 c 1 
ATOM   957  N N    . SER   A 1 68  ? 14.229 -26.013 21.152  1   48.196 ? 80  SER   B N    1 ? 1 
ATOM   958  C CA   . SER   A 1 68  ? 15.509 -26.408 21.719  1   47.164 ? 80  SER   B CA   1 ? 1 
ATOM   959  C C    . SER   A 1 68  ? 16.108 -25.209 22.458  1   45.035 ? 80  SER   B C    1 ? 1 
ATOM   960  O O    . SER   A 1 68  ? 16.309 -24.164 21.867  1   42.365 ? 80  SER   B O    1 ? 1 
ATOM   961  C CB   . SER   A 1 68  ? 16.479 -26.883 20.633  1   50.796 ? 80  SER   B CB   1 ? 1 
ATOM   962  O OG   . SER   A 1 68  ? 15.942 -27.994 19.911  1   54.485 ? 80  SER   B OG   1 ? 1 
ATOM   963  H H    . SER   A 1 68  ? 14.238 -25.594 20.34   1   48.031 ? 80  SER   B H    1 c 1 
ATOM   964  H HA   . SER   A 1 68  ? 15.36  -27.144 22.36   1   48.324 ? 80  SER   B HA   1 c 1 
ATOM   965  H HB2  . SER   A 1 68  ? 16.655 -26.148 20.015  1   50.374 ? 80  SER   B HB2  1 c 1 
ATOM   966  H HB3  . SER   A 1 68  ? 17.324 -27.142 21.046  1   51.471 ? 80  SER   B HB3  1 c 1 
ATOM   967  H HG   . SER   A 1 68  ? 16.527 -28.223 19.317  0   30     ? 80  SER   B HG   1 c 1 
ATOM   968  N N    . LEU   A 1 69  ? 16.401 -25.372 23.737  1   44.792 ? 81  LEU   B N    1 ? 1 
ATOM   969  C CA   . LEU   A 1 69  ? 16.875 -24.286 24.58   1   40.664 ? 81  LEU   B CA   1 ? 1 
ATOM   970  C C    . LEU   A 1 69  ? 18.292 -23.817 24.213  1   47.431 ? 81  LEU   B C    1 ? 1 
ATOM   971  O O    . LEU   A 1 69  ? 19.219 -24.611 23.963  1   47.289 ? 81  LEU   B O    1 ? 1 
ATOM   972  C CB   . LEU   A 1 69  ? 16.791 -24.79  26.018  1   43.788 ? 81  LEU   B CB   1 ? 1 
ATOM   973  C CG   . LEU   A 1 69  ? 17.078 -23.777 27.139  1   45.204 ? 81  LEU   B CG   1 ? 1 
ATOM   974  C CD1  . LEU   A 1 69  ? 15.964 -22.822 27.3    1   43.994 ? 81  LEU   B CD1  1 ? 1 
ATOM   975  C CD2  . LEU   A 1 69  ? 17.286 -24.351 28.508  1   49.127 ? 81  LEU   B CD2  1 ? 1 
ATOM   976  H H    . LEU   A 1 69  ? 16.307 -26.202 24.108  1   45.229 ? 81  LEU   B H    1 c 1 
ATOM   977  H HA   . LEU   A 1 69  ? 16.253 -23.523 24.47   1   41.397 ? 81  LEU   B HA   1 c 1 
ATOM   978  H HB2  . LEU   A 1 69  ? 15.888 -25.155 26.159  1   43.557 ? 81  LEU   B HB2  1 c 1 
ATOM   979  H HB3  . LEU   A 1 69  ? 17.422 -25.54  26.114  1   45.227 ? 81  LEU   B HB3  1 c 1 
ATOM   980  H HG   . LEU   A 1 69  ? 17.891 -23.264 26.895  1   45.389 ? 81  LEU   B HG   1 c 1 
ATOM   981  H HD11 . LEU   A 1 69  ? 15.749 -22.425 26.439  1   43.363 ? 81  LEU   B HD11 1 c 1 
ATOM   982  H HD12 . LEU   A 1 69  ? 16.222 -22.12  27.921  1   42.878 ? 81  LEU   B HD12 1 c 1 
ATOM   983  H HD13 . LEU   A 1 69  ? 15.183 -23.287 27.644  1   43.81  ? 81  LEU   B HD13 1 c 1 
ATOM   984  H HD21 . LEU   A 1 69  ? 18.125 -24.837 28.531  1   49.477 ? 81  LEU   B HD21 1 c 1 
ATOM   985  H HD22 . LEU   A 1 69  ? 16.557 -24.955 28.713  1   48.328 ? 81  LEU   B HD22 1 c 1 
ATOM   986  H HD23 . LEU   A 1 69  ? 17.309 -23.635 29.165  1   46.842 ? 81  LEU   B HD23 1 c 1 
ATOM   987  N N    . GLY   A 1 70  ? 18.44  -22.486 24.181  1   49.921 ? 82  GLY   B N    1 ? 1 
ATOM   988  C CA   . GLY   A 1 70  ? 19.679 -21.799 23.852  1   51.552 ? 82  GLY   B CA   1 ? 1 
ATOM   989  C C    . GLY   A 1 70  ? 20.204 -21.991 22.428  1   58.753 ? 82  GLY   B C    1 ? 1 
ATOM   990  O O    . GLY   A 1 70  ? 21.403 -21.878 22.238  1   62.221 ? 82  GLY   B O    1 ? 1 
ATOM   991  H H    . GLY   A 1 70  ? 17.712 -21.973 24.386  1   47.497 ? 82  GLY   B H    1 c 1 
ATOM   992  H HA2  . GLY   A 1 70  ? 19.551 -20.837 24.011  1   50.932 ? 82  GLY   B HA2  1 c 1 
ATOM   993  H HA3  . GLY   A 1 70  ? 20.373 -22.104 24.482  1   53.111 ? 82  GLY   B HA3  1 c 1 
ATOM   994  N N    . LYS   A 1 71  ? 19.351 -22.342 21.453  1   53.62  ? 83  LYS   B N    1 ? 1 
ATOM   995  C CA   . LYS   A 1 71  ? 19.733 -22.57  20.075  1   55.02  ? 83  LYS   B CA   1 ? 1 
ATOM   996  C C    . LYS   A 1 71  ? 19.292 -21.364 19.224  1   59.216 ? 83  LYS   B C    1 ? 1 
ATOM   997  O O    . LYS   A 1 71  ? 19.256 -21.449 17.993  1   70.249 ? 83  LYS   B O    1 ? 1 
ATOM   998  C CB   . LYS   A 1 71  ? 19.174 -23.94  19.638  1   57.898 ? 83  LYS   B CB   1 ? 1 
ATOM   999  H H    . LYS   A 1 71  ? 18.468 -22.432 21.67   1   53.718 ? 83  LYS   B H    1 c 1 
ATOM   1000 H HA   . LYS   A 1 71  ? 20.721 -22.626 20.034  1   57.519 ? 83  LYS   B HA   1 c 1 
ATOM   1001 H HB2  . LYS   A 1 71  ? 19.92  -24.548 19.41   0   30     ? 83  LYS   B HB2  1 c 1 
ATOM   1002 H HB3  . LYS   A 1 71  ? 18.183 -23.919 19.618  0   30     ? 83  LYS   B HB3  1 c 1 
ATOM   1003 N N    . GLY   A 1 72  ? 18.942 -20.243 19.888  1   55.781 ? 84  GLY   B N    1 ? 1 
ATOM   1004 C CA   . GLY   A 1 72  ? 18.393 -19.069 19.223  1   62.258 ? 84  GLY   B CA   1 ? 1 
ATOM   1005 C C    . GLY   A 1 72  ? 17.168 -19.364 18.346  1   55.508 ? 84  GLY   B C    1 ? 1 
ATOM   1006 O O    . GLY   A 1 72  ? 16.977 -18.719 17.334  1   57.554 ? 84  GLY   B O    1 ? 1 
ATOM   1007 H H    . GLY   A 1 72  ? 19.059 -20.209 20.793  1   56.646 ? 84  GLY   B H    1 c 1 
ATOM   1008 H HA2  . GLY   A 1 72  ? 18.144 -18.407 19.91   1   57.201 ? 84  GLY   B HA2  1 c 1 
ATOM   1009 H HA3  . GLY   A 1 72  ? 19.098 -18.666 18.664  1   59.696 ? 84  GLY   B HA3  1 c 1 
ATOM   1010 N N    . GLN   A 1 73  ? 16.265 -20.265 18.783  1   48.464 ? 85  GLN   B N    1 ? 1 
ATOM   1011 C CA   . GLN   A 1 73  ? 15.02  -20.54  18.087  1   43.953 ? 85  GLN   B CA   1 ? 1 
ATOM   1012 C C    . GLN   A 1 73  ? 13.883 -19.673 18.647  1   42.782 ? 85  GLN   B C    1 ? 1 
ATOM   1013 O O    . GLN   A 1 73  ? 12.858 -19.468 17.988  1   42.581 ? 85  GLN   B O    1 ? 1 
ATOM   1014 C CB   . GLN   A 1 73  ? 14.596 -22.006 18.243  1   48.653 ? 85  GLN   B CB   1 ? 1 
ATOM   1015 C CG   . GLN   A 1 73  ? 15.615 -22.964 17.647  1   54.439 ? 85  GLN   B CG   1 ? 1 
ATOM   1016 C CD   . GLN   A 1 73  ? 15.302 -24.408 17.94   1   59.131 ? 85  GLN   B CD   1 ? 1 
ATOM   1017 O OE1  . GLN   A 1 73  ? 14.289 -24.743 18.559  1   53.819 ? 85  GLN   B OE1  1 ? 1 
ATOM   1018 N NE2  . GLN   A 1 73  ? 16.176 -25.269 17.44   1   68.255 ? 85  GLN   B NE2  1 ? 1 
ATOM   1019 H H    . GLN   A 1 73  ? 16.445 -20.73  19.549  1   48.403 ? 85  GLN   B H    1 c 1 
ATOM   1020 H HA   . GLN   A 1 73  ? 15.138 -20.336 17.125  1   46.882 ? 85  GLN   B HA   1 c 1 
ATOM   1021 H HB2  . GLN   A 1 73  ? 14.483 -22.206 19.196  1   47.563 ? 85  GLN   B HB2  1 c 1 
ATOM   1022 H HB3  . GLN   A 1 73  ? 13.732 -22.14  17.801  1   48.973 ? 85  GLN   B HB3  1 c 1 
ATOM   1023 H HG2  . GLN   A 1 73  ? 15.648 -22.838 16.675  1   55.575 ? 85  GLN   B HG2  1 c 1 
ATOM   1024 H HG3  . GLN   A 1 73  ? 16.505 -22.756 18.005  1   54.12  ? 85  GLN   B HG3  1 c 1 
ATOM   1025 H HE21 . GLN   A 1 73  ? 16.087 -26.135 17.609  1   67.082 ? 85  GLN   B HE21 1 c 1 
ATOM   1026 H HE22 . GLN   A 1 73  ? 16.848 -24.981 16.938  1   66.698 ? 85  GLN   B HE22 1 c 1 
ATOM   1027 N N    . VAL   A 1 74  ? 14.1   -19.101 19.826  1   35.37  ? 86  VAL   B N    1 ? 1 
ATOM   1028 C CA   . VAL   A 1 74  ? 13.165 -18.212 20.478  1   34.081 ? 86  VAL   B CA   1 ? 1 
ATOM   1029 C C    . VAL   A 1 74  ? 13.939 -16.991 20.932  1   30.485 ? 86  VAL   B C    1 ? 1 
ATOM   1030 O O    . VAL   A 1 74  ? 15.169 -17.018 20.887  1   32.659 ? 86  VAL   B O    1 ? 1 
ATOM   1031 C CB   . VAL   A 1 74  ? 12.569 -18.904 21.701  1   33.358 ? 86  VAL   B CB   1 ? 1 
ATOM   1032 C CG1  . VAL   A 1 74  ? 11.537 -19.924 21.287  1   36.283 ? 86  VAL   B CG1  1 ? 1 
ATOM   1033 C CG2  . VAL   A 1 74  ? 13.679 -19.516 22.556  1   32.591 ? 86  VAL   B CG2  1 ? 1 
ATOM   1034 H H    . VAL   A 1 74  ? 14.891 -19.272 20.25   1   36.744 ? 86  VAL   B H    1 c 1 
ATOM   1035 H HA   . VAL   A 1 74  ? 12.457 -17.951 19.858  1   33.964 ? 86  VAL   B HA   1 c 1 
ATOM   1036 H HB   . VAL   A 1 74  ? 12.115 -18.213 22.238  1   32.41  ? 86  VAL   B HB   1 c 1 
ATOM   1037 H HG11 . VAL   A 1 74  ? 11.952 -20.594 20.719  1   36.99  ? 86  VAL   B HG11 1 c 1 
ATOM   1038 H HG12 . VAL   A 1 74  ? 10.823 -19.483 20.797  1   35.875 ? 86  VAL   B HG12 1 c 1 
ATOM   1039 H HG13 . VAL   A 1 74  ? 11.169 -20.353 22.078  1   35.448 ? 86  VAL   B HG13 1 c 1 
ATOM   1040 H HG21 . VAL   A 1 74  ? 13.329 -19.723 23.439  1   32.235 ? 86  VAL   B HG21 1 c 1 
ATOM   1041 H HG22 . VAL   A 1 74  ? 14.414 -18.888 22.641  1   32.427 ? 86  VAL   B HG22 1 c 1 
ATOM   1042 H HG23 . VAL   A 1 74  ? 13.998 -20.333 22.138  1   34.046 ? 86  VAL   B HG23 1 c 1 
ATOM   1043 N N    . ILE   A 1 75  ? 13.225 -15.963 21.432  1   29.618 ? 87  ILE   B N    1 ? 1 
ATOM   1044 C CA   . ILE   A 1 75  ? 13.894 -14.767 21.905  1   28.415 ? 87  ILE   B CA   1 ? 1 
ATOM   1045 C C    . ILE   A 1 75  ? 14.8   -15.072 23.093  1   29.517 ? 87  ILE   B C    1 ? 1 
ATOM   1046 O O    . ILE   A 1 75  ? 14.613 -16.052 23.816  1   29.03  ? 87  ILE   B O    1 ? 1 
ATOM   1047 C CB   . ILE   A 1 75  ? 12.887 -13.643 22.234  1   31.318 ? 87  ILE   B CB   1 ? 1 
ATOM   1048 C CG1  . ILE   A 1 75  ? 11.794 -14.137 23.165  1   29.693 ? 87  ILE   B CG1  1 ? 1 
ATOM   1049 C CG2  . ILE   A 1 75  ? 12.267 -13.036 20.951  1   31.329 ? 87  ILE   B CG2  1 ? 1 
ATOM   1050 C CD1  . ILE   A 1 75  ? 10.92  -13.034 23.794  1   29.217 ? 87  ILE   B CD1  1 ? 1 
ATOM   1051 H H    . ILE   A 1 75  ? 12.313 -16.012 21.458  1   29.418 ? 87  ILE   B H    1 c 1 
ATOM   1052 H HA   . ILE   A 1 75  ? 14.461 -14.444 21.178  1   30.157 ? 87  ILE   B HA   1 c 1 
ATOM   1053 H HB   . ILE   A 1 75  ? 13.373 -12.934 22.698  1   29.738 ? 87  ILE   B HB   1 c 1 
ATOM   1054 H HG12 . ILE   A 1 75  ? 11.209 -14.742 22.665  1   30.518 ? 87  ILE   B HG12 1 c 1 
ATOM   1055 H HG13 . ILE   A 1 75  ? 12.207 -14.654 23.886  1   29.599 ? 87  ILE   B HG13 1 c 1 
ATOM   1056 H HG21 . ILE   A 1 75  ? 11.75  -12.245 21.181  1   31.25  ? 87  ILE   B HG21 1 c 1 
ATOM   1057 H HG22 . ILE   A 1 75  ? 11.685 -13.69  20.529  1   32.166 ? 87  ILE   B HG22 1 c 1 
ATOM   1058 H HG23 . ILE   A 1 75  ? 12.974 -12.788 20.333  1   32.226 ? 87  ILE   B HG23 1 c 1 
ATOM   1059 H HD11 . ILE   A 1 75  ? 11.491 -12.376 24.234  1   28.735 ? 87  ILE   B HD11 1 c 1 
ATOM   1060 H HD12 . ILE   A 1 75  ? 10.318 -13.43  24.452  1   28.913 ? 87  ILE   B HD12 1 c 1 
ATOM   1061 H HD13 . ILE   A 1 75  ? 10.396 -12.594 23.099  1   29.669 ? 87  ILE   B HD13 1 c 1 
ATOM   1062 N N    . LYS   A 1 76  ? 15.839 -14.24  23.274  1   28.395 ? 88  LYS   B N    1 ? 1 
ATOM   1063 C CA   . LYS   A 1 76  ? 16.827 -14.393 24.34   1   31.745 ? 88  LYS   B CA   1 ? 1 
ATOM   1064 C C    . LYS   A 1 76  ? 16.103 -14.546 25.675  1   29.221 ? 88  LYS   B C    1 ? 1 
ATOM   1065 O O    . LYS   A 1 76  ? 16.504 -15.441 26.432  1   27.892 ? 88  LYS   B O    1 ? 1 
ATOM   1066 C CB   . LYS   A 1 76  ? 17.792 -13.182 24.427  1   34.53  ? 88  LYS   B CB   1 ? 1 
ATOM   1067 H H    . LYS   A 1 76  ? 15.933 -13.536 22.697  1   29.669 ? 88  LYS   B H    1 c 1 
ATOM   1068 H HA   . LYS   A 1 76  ? 17.352 -15.215 24.164  1   31.961 ? 88  LYS   B HA   1 c 1 
ATOM   1069 H HB2  . LYS   A 1 76  ? 18.736 -13.571 24.387  0   30     ? 88  LYS   B HB2  1 c 1 
ATOM   1070 H HB3  . LYS   A 1 76  ? 17.308 -12.383 24.455  0   30     ? 88  LYS   B HB3  1 c 1 
ATOM   1071 N N    . ALA   A 1 77  ? 15.021 -13.747 25.945  1   28.714 ? 89  ALA   B N    1 ? 1 
ATOM   1072 C CA   . ALA   A 1 77  ? 14.311 -13.837 27.231  1   28.809 ? 89  ALA   B CA   1 ? 1 
ATOM   1073 C C    . ALA   A 1 77  ? 13.728 -15.211 27.522  1   25.975 ? 89  ALA   B C    1 ? 1 
ATOM   1074 O O    . ALA   A 1 77  ? 13.709 -15.67  28.668  1   26.419 ? 89  ALA   B O    1 ? 1 
ATOM   1075 C CB   . ALA   A 1 77  ? 13.239 -12.793 27.379  1   27.433 ? 89  ALA   B CB   1 ? 1 
ATOM   1076 H H    . ALA   A 1 77  ? 14.734 -13.144 25.321  1   28.8   ? 89  ALA   B H    1 c 1 
ATOM   1077 H HA   . ALA   A 1 77  ? 14.991 -13.663 27.939  1   27.917 ? 89  ALA   B HA   1 c 1 
ATOM   1078 H HB1  . ALA   A 1 77  ? 13.643 -11.911 27.418  1   27.649 ? 89  ALA   B HB1  1 c 1 
ATOM   1079 H HB2  . ALA   A 1 77  ? 12.636 -12.836 26.618  1   27.861 ? 89  ALA   B HB2  1 c 1 
ATOM   1080 H HB3  . ALA   A 1 77  ? 12.737 -12.952 28.196  1   27.426 ? 89  ALA   B HB3  1 c 1 
ATOM   1081 N N    . TRP   A 1 78  ? 13.354 -16.009 26.526  1   27.435 ? 90  TRP   B N    1 ? 1 
ATOM   1082 C CA   . TRP   A 1 78  ? 12.872 -17.359 26.751  1   25.632 ? 90  TRP   B CA   1 ? 1 
ATOM   1083 C C    . TRP   A 1 78  ? 14.042 -18.291 27.073  1   29.498 ? 90  TRP   B C    1 ? 1 
ATOM   1084 O O    . TRP   A 1 78  ? 13.84  -19.19  27.9    1   27.874 ? 90  TRP   B O    1 ? 1 
ATOM   1085 C CB   . TRP   A 1 78  ? 12.065 -17.861 25.549  1   29.32  ? 90  TRP   B CB   1 ? 1 
ATOM   1086 C CG   . TRP   A 1 78  ? 10.604 -17.499 25.598  1   31.179 ? 90  TRP   B CG   1 ? 1 
ATOM   1087 C CD1  . TRP   A 1 78  ? 9.943  -16.338 25.92   1   29.451 ? 90  TRP   B CD1  1 ? 1 
ATOM   1088 C CD2  . TRP   A 1 78  ? 9.568  -18.467 25.319  1   31.217 ? 90  TRP   B CD2  1 ? 1 
ATOM   1089 N NE1  . TRP   A 1 78  ? 8.587  -16.511 25.876  1   30.643 ? 90  TRP   B NE1  1 ? 1 
ATOM   1090 C CE2  . TRP   A 1 78  ? 8.318  -17.807 25.512  1   32.973 ? 90  TRP   B CE2  1 ? 1 
ATOM   1091 C CE3  . TRP   A 1 78  ? 9.6    -19.815 24.984  1   30.177 ? 90  TRP   B CE3  1 ? 1 
ATOM   1092 C CZ2  . TRP   A 1 78  ? 7.093  -18.452 25.342  1   31.233 ? 90  TRP   B CZ2  1 ? 1 
ATOM   1093 C CZ3  . TRP   A 1 78  ? 8.381  -20.468 24.891  1   35.828 ? 90  TRP   B CZ3  1 ? 1 
ATOM   1094 C CH2  . TRP   A 1 78  ? 7.153  -19.791 25.069  1   31.54  ? 90  TRP   B CH2  1 ? 1 
ATOM   1095 H H    . TRP   A 1 78  ? 13.399 -15.698 25.668  1   26.954 ? 90  TRP   B H    1 c 1 
ATOM   1096 H HA   . TRP   A 1 78  ? 12.264 -17.342 27.539  1   26.815 ? 90  TRP   B HA   1 c 1 
ATOM   1097 H HB2  . TRP   A 1 78  ? 12.457 -17.488 24.731  1   29.274 ? 90  TRP   B HB2  1 c 1 
ATOM   1098 H HB3  . TRP   A 1 78  ? 12.149 -18.837 25.502  1   29.834 ? 90  TRP   B HB3  1 c 1 
ATOM   1099 H HD1  . TRP   A 1 78  ? 10.367 -15.526 26.147  1   29.254 ? 90  TRP   B HD1  1 c 1 
ATOM   1100 H HE1  . TRP   A 1 78  ? 7.995  -15.893 26.03   1   30.582 ? 90  TRP   B HE1  1 c 1 
ATOM   1101 H HE3  . TRP   A 1 78  ? 10.416 -20.276 24.885  1   32.05  ? 90  TRP   B HE3  1 c 1 
ATOM   1102 H HZ2  . TRP   A 1 78  ? 6.276  -18.012 25.499  1   31.755 ? 90  TRP   B HZ2  1 c 1 
ATOM   1103 H HZ3  . TRP   A 1 78  ? 8.369  -21.375 24.633  1   34.744 ? 90  TRP   B HZ3  1 c 1 
ATOM   1104 H HH2  . TRP   A 1 78  ? 6.35   -20.263 24.935  1   33.588 ? 90  TRP   B HH2  1 c 1 
ATOM   1105 N N    . ASP   A 1 79  ? 15.167 -18.174 26.331  1   28.772 ? 91  ASP   B N    1 ? 1 
ATOM   1106 C CA   . ASP   A 1 79  ? 16.337 -18.974 26.598  1   32.36  ? 91  ASP   B CA   1 ? 1 
ATOM   1107 C C    . ASP   A 1 79  ? 16.761 -18.728 28.048  1   29.584 ? 91  ASP   B C    1 ? 1 
ATOM   1108 O O    . ASP   A 1 79  ? 17.101 -19.666 28.747  1   34.311 ? 91  ASP   B O    1 ? 1 
ATOM   1109 C CB   . ASP   A 1 79  ? 17.472 -18.757 25.617  1   34.434 ? 91  ASP   B CB   1 ? 1 
ATOM   1110 C CG   . ASP   A 1 79  ? 17.288 -19.426 24.249  1   33.075 ? 91  ASP   B CG   1 ? 1 
ATOM   1111 O OD1  . ASP   A 1 79  ? 16.495 -20.392 24.162  1   33.611 ? 91  ASP   B OD1  1 ? 1 
ATOM   1112 O OD2  . ASP   A 1 79  ? 17.946 -18.997 23.324  1   39.498 ? 91  ASP   B OD2  1 ? 1 
ATOM   1113 H H    . ASP   A 1 79  ? 15.19  -17.578 25.639  1   29.497 ? 91  ASP   B H    1 c 1 
ATOM   1114 H HA   . ASP   A 1 79  ? 16.075 -19.919 26.522  1   32.328 ? 91  ASP   B HA   1 c 1 
ATOM   1115 H HB2  . ASP   A 1 79  ? 17.582 -17.794 25.473  1   32.97  ? 91  ASP   B HB2  1 c 1 
ATOM   1116 H HB3  . ASP   A 1 79  ? 18.302 -19.099 26.012  1   34.342 ? 91  ASP   B HB3  1 c 1 
ATOM   1117 N N    . ILE   A 1 80  ? 16.724 -17.481 28.493  1   27.642 ? 92  ILE   B N    1 ? 1 
ATOM   1118 C CA   . ILE   A 1 80  ? 17.085 -17.179 29.883  1   27.705 ? 92  ILE   B CA   1 ? 1 
ATOM   1119 C C    . ILE   A 1 80  ? 16.019 -17.643 30.867  1   30.194 ? 92  ILE   B C    1 ? 1 
ATOM   1120 O O    . ILE   A 1 80  ? 16.414 -18.257 31.888  1   28.664 ? 92  ILE   B O    1 ? 1 
ATOM   1121 C CB   . ILE   A 1 80  ? 17.323 -15.656 30.067  1   29.149 ? 92  ILE   B CB   1 ? 1 
ATOM   1122 C CG1  . ILE   A 1 80  ? 18.577 -15.195 29.34   1   29.691 ? 92  ILE   B CG1  1 ? 1 
ATOM   1123 C CG2  . ILE   A 1 80  ? 17.477 -15.246 31.543  1   30.662 ? 92  ILE   B CG2  1 ? 1 
ATOM   1124 C CD1  . ILE   A 1 80  ? 18.528 -13.673 29.109  1   30.025 ? 92  ILE   B CD1  1 ? 1 
ATOM   1125 H H    . ILE   A 1 80  ? 16.482 -16.798 27.935  1   27.443 ? 92  ILE   B H    1 c 1 
ATOM   1126 H HA   . ILE   A 1 80  ? 17.919 -17.643 30.09   1   29.508 ? 92  ILE   B HA   1 c 1 
ATOM   1127 H HB   . ILE   A 1 80  ? 16.556 -15.178 29.692  1   28.213 ? 92  ILE   B HB   1 c 1 
ATOM   1128 H HG12 . ILE   A 1 80  ? 19.366 -15.419 29.874  1   30.77  ? 92  ILE   B HG12 1 c 1 
ATOM   1129 H HG13 . ILE   A 1 80  ? 18.643 -15.654 28.478  1   30.301 ? 92  ILE   B HG13 1 c 1 
ATOM   1130 H HG21 . ILE   A 1 80  ? 17.794 -14.329 31.599  1   30.099 ? 92  ILE   B HG21 1 c 1 
ATOM   1131 H HG22 . ILE   A 1 80  ? 18.117 -15.834 31.979  1   31.089 ? 92  ILE   B HG22 1 c 1 
ATOM   1132 H HG23 . ILE   A 1 80  ? 16.619 -15.314 31.993  1   29.754 ? 92  ILE   B HG23 1 c 1 
ATOM   1133 H HD11 . ILE   A 1 80  ? 17.659 -13.422 28.741  1   29.028 ? 92  ILE   B HD11 1 c 1 
ATOM   1134 H HD12 . ILE   A 1 80  ? 19.229 -13.422 28.477  1   30.382 ? 92  ILE   B HD12 1 c 1 
ATOM   1135 H HD13 . ILE   A 1 80  ? 18.671 -13.202 29.951  1   29.73  ? 92  ILE   B HD13 1 c 1 
ATOM   1136 N N    . GLY   A 1 81  ? 14.748 -17.293 30.612  1   26.881 ? 93  GLY   B N    1 ? 1 
ATOM   1137 C CA   . GLY   A 1 81  ? 13.684 -17.599 31.589  1   29.436 ? 93  GLY   B CA   1 ? 1 
ATOM   1138 C C    . GLY   A 1 81  ? 13.313 -19.053 31.737  1   26.771 ? 93  GLY   B C    1 ? 1 
ATOM   1139 O O    . GLY   A 1 81  ? 13.161 -19.547 32.848  1   27.313 ? 93  GLY   B O    1 ? 1 
ATOM   1140 H H    . GLY   A 1 81  ? 14.533 -16.862 29.834  1   27.612 ? 93  GLY   B H    1 c 1 
ATOM   1141 H HA2  . GLY   A 1 81  ? 13.969 -17.259 32.468  1   27.963 ? 93  GLY   B HA2  1 c 1 
ATOM   1142 H HA3  . GLY   A 1 81  ? 12.877 -17.094 31.332  1   27.37  ? 93  GLY   B HA3  1 c 1 
ATOM   1143 N N    . VAL   A 1 82  ? 13.177 -19.779 30.619  1   30.215 ? 94  VAL   B N    1 ? 1 
ATOM   1144 C CA   . VAL   A 1 82  ? 12.77  -21.142 30.686  1   29.926 ? 94  VAL   B CA   1 ? 1 
ATOM   1145 C C    . VAL   A 1 82  ? 13.889 -21.962 31.346  1   34     ? 94  VAL   B C    1 ? 1 
ATOM   1146 O O    . VAL   A 1 82  ? 13.58  -22.927 32.035  1   35.742 ? 94  VAL   B O    1 ? 1 
ATOM   1147 C CB   . VAL   A 1 82  ? 12.322 -21.685 29.307  1   31.486 ? 94  VAL   B CB   1 ? 1 
ATOM   1148 C CG1  . VAL   A 1 82  ? 12     -23.166 29.413  1   36.427 ? 94  VAL   B CG1  1 ? 1 
ATOM   1149 C CG2  . VAL   A 1 82  ? 11.118 -20.875 28.743  1   26.885 ? 94  VAL   B CG2  1 ? 1 
ATOM   1150 H H    . VAL   A 1 82  ? 13.347 -19.402 29.804  1   28.793 ? 94  VAL   B H    1 c 1 
ATOM   1151 H HA   . VAL   A 1 82  ? 11.992 -21.183 31.277  1   30.861 ? 94  VAL   B HA   1 c 1 
ATOM   1152 H HB   . VAL   A 1 82  ? 13.082 -21.58  28.688  1   31.199 ? 94  VAL   B HB   1 c 1 
ATOM   1153 H HG11 . VAL   A 1 82  ? 11.566 -23.345 30.264  1   35.536 ? 94  VAL   B HG11 1 c 1 
ATOM   1154 H HG12 . VAL   A 1 82  ? 12.821 -23.683 29.354  1   36.205 ? 94  VAL   B HG12 1 c 1 
ATOM   1155 H HG13 . VAL   A 1 82  ? 11.406 -23.421 28.688  1   35.75  ? 94  VAL   B HG13 1 c 1 
ATOM   1156 H HG21 . VAL   A 1 82  ? 10.84  -21.256 27.893  1   28.508 ? 94  VAL   B HG21 1 c 1 
ATOM   1157 H HG22 . VAL   A 1 82  ? 11.381 -19.949 28.611  1   27.06  ? 94  VAL   B HG22 1 c 1 
ATOM   1158 H HG23 . VAL   A 1 82  ? 10.378 -20.914 29.371  1   27.915 ? 94  VAL   B HG23 1 c 1 
ATOM   1159 N N    . ALA   A 1 83  ? 15.154 -21.507 31.25   1   26.59  ? 95  ALA   B N    1 ? 1 
ATOM   1160 C CA   . ALA   A 1 83  ? 16.276 -22.212 31.86   1   29.539 ? 95  ALA   B CA   1 ? 1 
ATOM   1161 C C    . ALA   A 1 83  ? 16.112 -22.196 33.39   1   29.753 ? 95  ALA   B C    1 ? 1 
ATOM   1162 O O    . ALA   A 1 83  ? 16.695 -23.033 34.074  1   34.917 ? 95  ALA   B O    1 ? 1 
ATOM   1163 C CB   . ALA   A 1 83  ? 17.61  -21.616 31.446  1   28.804 ? 95  ALA   B CB   1 ? 1 
ATOM   1164 H H    . ALA   A 1 83  ? 15.323 -20.743 30.778  1   27.707 ? 95  ALA   B H    1 c 1 
ATOM   1165 H HA   . ALA   A 1 83  ? 16.241 -23.161 31.558  1   30.222 ? 95  ALA   B HA   1 c 1 
ATOM   1166 H HB1  . ALA   A 1 83  ? 17.707 -21.67  30.481  1   29.236 ? 95  ALA   B HB1  1 c 1 
ATOM   1167 H HB2  . ALA   A 1 83  ? 17.651 -20.684 31.721  1   28.172 ? 95  ALA   B HB2  1 c 1 
ATOM   1168 H HB3  . ALA   A 1 83  ? 18.333 -22.107 31.87   1   30.356 ? 95  ALA   B HB3  1 c 1 
ATOM   1169 N N    . THR   A 1 84  ? 15.397 -21.21  33.92   1   31.011 ? 96  THR   B N    1 ? 1 
ATOM   1170 C CA   . THR   A 1 84  ? 15.171 -21.129 35.379  1   31.773 ? 96  THR   B CA   1 ? 1 
ATOM   1171 C C    . THR   A 1 84  ? 13.972 -21.978 35.857  1   33.912 ? 96  THR   B C    1 ? 1 
ATOM   1172 O O    . THR   A 1 84  ? 13.662 -22.071 37.066  1   35.013 ? 96  THR   B O    1 ? 1 
ATOM   1173 C CB   . THR   A 1 84  ? 14.951 -19.697 35.836  1   30.703 ? 96  THR   B CB   1 ? 1 
ATOM   1174 O OG1  . THR   A 1 84  ? 13.639 -19.253 35.418  1   31.49  ? 96  THR   B OG1  1 ? 1 
ATOM   1175 C CG2  . THR   A 1 84  ? 16.065 -18.769 35.451  1   32.887 ? 96  THR   B CG2  1 ? 1 
ATOM   1176 H H    . THR   A 1 84  ? 15.054 -20.554 33.384  1   29.346 ? 96  THR   B H    1 c 1 
ATOM   1177 H HA   . THR   A 1 84  ? 15.978 -21.464 35.826  1   33.061 ? 96  THR   B HA   1 c 1 
ATOM   1178 H HB   . THR   A 1 84  ? 14.957 -19.714 36.822  1   32.193 ? 96  THR   B HB   1 c 1 
ATOM   1179 H HG1  . THR   A 1 84  ? 13.577 -19.297 34.565  0   30     ? 96  THR   B HG1  1 c 1 
ATOM   1180 H HG21 . THR   A 1 84  ? 15.92  -17.9   35.862  1   31.574 ? 96  THR   B HG21 1 c 1 
ATOM   1181 H HG22 . THR   A 1 84  ? 16.087 -18.67  34.485  1   31.469 ? 96  THR   B HG22 1 c 1 
ATOM   1182 H HG23 . THR   A 1 84  ? 16.912 -19.134 35.758  1   33.1   ? 96  THR   B HG23 1 c 1 
ATOM   1183 N N    . MET   A 1 85  ? 13.186 -22.569 34.966  1   31.836 ? 97  MET   B N    1 ? 1 
ATOM   1184 C CA   . MET   A 1 85  ? 11.892 -23.142 35.351  1   34.398 ? 97  MET   B CA   1 ? 1 
ATOM   1185 C C    . MET   A 1 85  ? 11.984 -24.652 35.658  1   39.734 ? 97  MET   B C    1 ? 1 
ATOM   1186 O O    . MET   A 1 85  ? 12.786 -25.362 35.072  1   36.209 ? 97  MET   B O    1 ? 1 
ATOM   1187 C CB   . MET   A 1 85  ? 10.895 -22.879 34.225  1   32.492 ? 97  MET   B CB   1 ? 1 
ATOM   1188 C CG   . MET   A 1 85  ? 10.498 -21.386 34.078  1   31.063 ? 97  MET   B CG   1 ? 1 
ATOM   1189 S SD   . MET   A 1 85  ? 9.305  -21.263 32.751  1   32.439 ? 97  MET   B SD   1 ? 1 
ATOM   1190 C CE   . MET   A 1 85  ? 7.784  -21.92  33.467  1   36.067 ? 97  MET   B CE   1 ? 1 
ATOM   1191 H H    . MET   A 1 85  ? 13.452 -22.628 34.095  1   32.45  ? 97  MET   B H    1 c 1 
ATOM   1192 H HA   . MET   A 1 85  ? 11.58  -22.679 36.169  1   34.271 ? 97  MET   B HA   1 c 1 
ATOM   1193 H HB2  . MET   A 1 85  ? 11.285 -23.19  33.38   1   32.867 ? 97  MET   B HB2  1 c 1 
ATOM   1194 H HB3  . MET   A 1 85  ? 10.087 -23.408 34.393  1   33.623 ? 97  MET   B HB3  1 c 1 
ATOM   1195 H HG2  . MET   A 1 85  ? 10.104 -21.056 34.906  1   31.401 ? 97  MET   B HG2  1 c 1 
ATOM   1196 H HG3  . MET   A 1 85  ? 11.283 -20.846 33.866  1   30.642 ? 97  MET   B HG3  1 c 1 
ATOM   1197 H HE1  . MET   A 1 85  ? 7.088  -21.942 32.784  1   35.592 ? 97  MET   B HE1  1 c 1 
ATOM   1198 H HE2  . MET   A 1 85  ? 7.943  -22.823 33.796  1   36.533 ? 97  MET   B HE2  1 c 1 
ATOM   1199 H HE3  . MET   A 1 85  ? 7.499  -21.349 34.204  1   35.283 ? 97  MET   B HE3  1 c 1 
ATOM   1200 N N    . LYS   A 1 86  ? 11.181 -25.148 36.618  1   39.39  ? 98  LYS   B N    1 ? 1 
ATOM   1201 C CA   . LYS   A 1 86  ? 11.117 -26.574 36.949  1   40.692 ? 98  LYS   B CA   1 ? 1 
ATOM   1202 C C    . LYS   A 1 86  ? 9.933  -27.169 36.18   1   40.816 ? 98  LYS   B C    1 ? 1 
ATOM   1203 O O    . LYS   A 1 86  ? 8.984  -26.454 35.854  1   39.709 ? 98  LYS   B O    1 ? 1 
ATOM   1204 C CB   . LYS   A 1 86  ? 10.918 -26.765 38.466  1   37.667 ? 98  LYS   B CB   1 ? 1 
ATOM   1205 H H    . LYS   A 1 86  ? 10.647 -24.57  37.083  1   38.951 ? 98  LYS   B H    1 c 1 
ATOM   1206 H HA   . LYS   A 1 86  ? 11.955 -27.015 36.658  1   40.523 ? 98  LYS   B HA   1 c 1 
ATOM   1207 H HB2  . LYS   A 1 86  ? 11.765 -26.801 38.894  0   30     ? 98  LYS   B HB2  1 c 1 
ATOM   1208 H HB3  . LYS   A 1 86  ? 9.924  -26.772 38.637  0   30     ? 98  LYS   B HB3  1 c 1 
ATOM   1209 N N    . LYS   A 1 87  ? 9.916  -28.479 35.924  1   43.277 ? 99  LYS   B N    1 ? 1 
ATOM   1210 C CA   . LYS   A 1 87  ? 8.774  -29.084 35.244  1   46.749 ? 99  LYS   B CA   1 ? 1 
ATOM   1211 C C    . LYS   A 1 87  ? 7.482  -28.869 36.035  1   44.64  ? 99  LYS   B C    1 ? 1 
ATOM   1212 O O    . LYS   A 1 87  ? 7.503  -29.075 37.239  1   43.693 ? 99  LYS   B O    1 ? 1 
ATOM   1213 C CB   . LYS   A 1 87  ? 8.994  -30.587 35.152  1   51.011 ? 99  LYS   B CB   1 ? 1 
ATOM   1214 C CG   . LYS   A 1 87  ? 8.048  -31.287 34.174  1   56.694 ? 99  LYS   B CG   1 ? 1 
ATOM   1215 C CD   . LYS   A 1 87  ? 8.381  -32.767 34.004  1   61.528 ? 99  LYS   B CD   1 ? 1 
ATOM   1216 C CE   . LYS   A 1 87  ? 7.306  -33.456 33.217  1   65.241 ? 99  LYS   B CE   1 ? 1 
ATOM   1217 N NZ   . LYS   A 1 87  ? 7.263  -34.912 33.375  1   71.612 ? 99  LYS   B NZ   1 ? 1 
ATOM   1218 H H    . LYS   A 1 87  ? 10.62  -29.004 36.176  1   44.86  ? 99  LYS   B H    1 c 1 
ATOM   1219 H HA   . LYS   A 1 87  ? 8.687  -28.687 34.341  1   44.83  ? 99  LYS   B HA   1 c 1 
ATOM   1220 H HB2  . LYS   A 1 87  ? 9.917  -30.757 34.868  1   51.638 ? 99  LYS   B HB2  1 c 1 
ATOM   1221 H HB3  . LYS   A 1 87  ? 8.876  -30.985 36.041  1   52.851 ? 99  LYS   B HB3  1 c 1 
ATOM   1222 H HG2  . LYS   A 1 87  ? 7.128  -31.197 34.503  1   56.273 ? 99  LYS   B HG2  1 c 1 
ATOM   1223 H HG3  . LYS   A 1 87  ? 8.107  -30.839 33.301  1   54.75  ? 99  LYS   B HG3  1 c 1 
ATOM   1224 H HD2  . LYS   A 1 87  ? 9.239  -32.859 33.534  1   61.438 ? 99  LYS   B HD2  1 c 1 
ATOM   1225 H HD3  . LYS   A 1 87  ? 8.459  -33.189 34.887  1   62.877 ? 99  LYS   B HD3  1 c 1 
ATOM   1226 H HE2  . LYS   A 1 87  ? 6.439  -33.095 33.472  1   64.967 ? 99  LYS   B HE2  1 c 1 
ATOM   1227 H HE3  . LYS   A 1 87  ? 7.441  -33.259 32.273  1   64.626 ? 99  LYS   B HE3  1 c 1 
ATOM   1228 H HZ1  . LYS   A 1 87  ? 7.117  -35.121 34.244  1   71.592 ? 99  LYS   B HZ1  1 c 1 
ATOM   1229 H HZ2  . LYS   A 1 87  ? 8.052  -35.272 33.111  1   71.281 ? 99  LYS   B HZ2  1 c 1 
ATOM   1230 H HZ3  . LYS   A 1 87  ? 6.595  -35.255 32.869  1   71.732 ? 99  LYS   B HZ3  1 c 1 
ATOM   1231 N N    . GLY   A 1 88  ? 6.391  -28.452 35.354  1   41.366 ? 100 GLY   B N    1 ? 1 
ATOM   1232 C CA   . GLY   A 1 88  ? 5.121  -28.171 35.994  1   42.987 ? 100 GLY   B CA   1 ? 1 
ATOM   1233 C C    . GLY   A 1 88  ? 4.947  -26.719 36.43   1   43.107 ? 100 GLY   B C    1 ? 1 
ATOM   1234 O O    . GLY   A 1 88  ? 3.819  -26.336 36.773  1   44.819 ? 100 GLY   B O    1 ? 1 
ATOM   1235 H H    . GLY   A 1 88  ? 6.454  -28.343 34.449  1   41.588 ? 100 GLY   B H    1 c 1 
ATOM   1236 H HA2  . GLY   A 1 88  ? 4.398  -28.404 35.367  1   43.902 ? 100 GLY   B HA2  1 c 1 
ATOM   1237 H HA3  . GLY   A 1 88  ? 5.027  -28.756 36.782  1   44.814 ? 100 GLY   B HA3  1 c 1 
ATOM   1238 N N    . GLU   A 1 89  ? 6.044  -25.928 36.391  1   38.573 ? 101 GLU   B N    1 ? 1 
ATOM   1239 C CA   . GLU   A 1 89  ? 6.017  -24.53  36.839  1   38.26  ? 101 GLU   B CA   1 ? 1 
ATOM   1240 C C    . GLU   A 1 89  ? 5.196  -23.703 35.871  1   38.775 ? 101 GLU   B C    1 ? 1 
ATOM   1241 O O    . GLU   A 1 89  ? 5.294  -23.898 34.644  1   39.112 ? 101 GLU   B O    1 ? 1 
ATOM   1242 C CB   . GLU   A 1 89  ? 7.454  -24.042 36.966  1   38.38  ? 101 GLU   B CB   1 ? 1 
ATOM   1243 C CG   . GLU   A 1 89  ? 7.612  -22.598 37.419  1   37.335 ? 101 GLU   B CG   1 ? 1 
ATOM   1244 C CD   . GLU   A 1 89  ? 9.058  -22.197 37.623  1   38.241 ? 101 GLU   B CD   1 ? 1 
ATOM   1245 O OE1  . GLU   A 1 89  ? 9.814  -23.04  38.168  1   37.262 ? 101 GLU   B OE1  1 ? 1 
ATOM   1246 O OE2  . GLU   A 1 89  ? 9.387  -21.036 37.193  1   32.813 ? 101 GLU   B OE2  1 ? 1 
ATOM   1247 H H    . GLU   A 1 89  ? 6.83   -26.267 36.072  1   39.358 ? 101 GLU   B H    1 c 1 
ATOM   1248 H HA   . GLU   A 1 89  ? 5.59   -24.502 37.729  1   39.419 ? 101 GLU   B HA   1 c 1 
ATOM   1249 H HB2  . GLU   A 1 89  ? 7.925  -24.625 37.597  1   39.198 ? 101 GLU   B HB2  1 c 1 
ATOM   1250 H HB3  . GLU   A 1 89  ? 7.891  -24.134 36.094  1   37.494 ? 101 GLU   B HB3  1 c 1 
ATOM   1251 H HG2  . GLU   A 1 89  ? 7.213  -22.003 36.749  1   36.619 ? 101 GLU   B HG2  1 c 1 
ATOM   1252 H HG3  . GLU   A 1 89  ? 7.128  -22.47  38.263  1   38.36  ? 101 GLU   B HG3  1 c 1 
ATOM   1253 N N    . ILE   A 1 90  ? 4.45   -22.74  36.45   1   36.977 ? 102 ILE   B N    1 ? 1 
ATOM   1254 C CA   . ILE   A 1 90  ? 3.918  -21.651 35.641  1   34.898 ? 102 ILE   B CA   1 ? 1 
ATOM   1255 C C    . ILE   A 1 90  ? 4.566  -20.369 36.119  1   37.571 ? 102 ILE   B C    1 ? 1 
ATOM   1256 O O    . ILE   A 1 90  ? 4.58   -20.076 37.33   1   36.791 ? 102 ILE   B O    1 ? 1 
ATOM   1257 C CB   . ILE   A 1 90  ? 2.404  -21.536 35.798  1   39.923 ? 102 ILE   B CB   1 ? 1 
ATOM   1258 C CG1  . ILE   A 1 90  ? 1.755  -22.837 35.33   1   43.348 ? 102 ILE   B CG1  1 ? 1 
ATOM   1259 C CG2  . ILE   A 1 90  ? 1.833  -20.288 35.105  1   43.745 ? 102 ILE   B CG2  1 ? 1 
ATOM   1260 C CD1  . ILE   A 1 90  ? 0.259  -22.852 35.515  1   42.058 ? 102 ILE   B CD1  1 ? 1 
ATOM   1261 H H    . ILE   A 1 90  ? 4.272  -22.764 37.346  1   37.944 ? 102 ILE   B H    1 c 1 
ATOM   1262 H HA   . ILE   A 1 90  ? 4.136  -21.803 34.705  1   35.853 ? 102 ILE   B HA   1 c 1 
ATOM   1263 H HB   . ILE   A 1 90  ? 2.219  -21.449 36.755  1   40.995 ? 102 ILE   B HB   1 c 1 
ATOM   1264 H HG12 . ILE   A 1 90  ? 1.959  -22.969 34.382  1   41.658 ? 102 ILE   B HG12 1 c 1 
ATOM   1265 H HG13 . ILE   A 1 90  ? 2.143  -23.584 35.83   1   42.886 ? 102 ILE   B HG13 1 c 1 
ATOM   1266 H HG21 . ILE   A 1 90  ? 0.867  -20.27  35.205  1   43.433 ? 102 ILE   B HG21 1 c 1 
ATOM   1267 H HG22 . ILE   A 1 90  ? 2.058  -20.308 34.16   1   41.579 ? 102 ILE   B HG22 1 c 1 
ATOM   1268 H HG23 . ILE   A 1 90  ? 2.209  -19.487 35.508  1   41.368 ? 102 ILE   B HG23 1 c 1 
ATOM   1269 H HD11 . ILE   A 1 90  ? 0.037  -22.534 36.411  1   43.466 ? 102 ILE   B HD11 1 c 1 
ATOM   1270 H HD12 . ILE   A 1 90  ? -0.073 -23.762 35.404  1   44.422 ? 102 ILE   B HD12 1 c 1 
ATOM   1271 H HD13 . ILE   A 1 90  ? -0.163 -22.272 34.853  1   42.639 ? 102 ILE   B HD13 1 c 1 
ATOM   1272 N N    . ALA   A 1 91  ? 5.043  -19.602 35.126  1   29.972 ? 103 ALA   B N    1 ? 1 
ATOM   1273 C CA   . ALA   A 1 91  ? 5.749  -18.38  35.456  1   33.013 ? 103 ALA   B CA   1 ? 1 
ATOM   1274 C C    . ALA   A 1 91  ? 5.241  -17.255 34.576  1   29.299 ? 103 ALA   B C    1 ? 1 
ATOM   1275 O O    . ALA   A 1 91  ? 4.728  -17.522 33.454  1   32.425 ? 103 ALA   B O    1 ? 1 
ATOM   1276 C CB   . ALA   A 1 91  ? 7.26   -18.553 35.302  1   34.076 ? 103 ALA   B CB   1 ? 1 
ATOM   1277 H H    . ALA   A 1 91  ? 4.928  -19.837 34.25   1   32.06  ? 103 ALA   B H    1 c 1 
ATOM   1278 H HA   . ALA   A 1 91  ? 5.546  -18.149 36.402  1   32.405 ? 103 ALA   B HA   1 c 1 
ATOM   1279 H HB1  . ALA   A 1 91  ? 7.573  -19.249 35.904  1   34.209 ? 103 ALA   B HB1  1 c 1 
ATOM   1280 H HB2  . ALA   A 1 91  ? 7.469  -18.802 34.386  1   33.114 ? 103 ALA   B HB2  1 c 1 
ATOM   1281 H HB3  . ALA   A 1 91  ? 7.708  -17.717 35.517  1   32.836 ? 103 ALA   B HB3  1 c 1 
ATOM   1282 N N    . HIS   A 1 92  ? 5.332  -16.053 35.134  1   26.591 ? 104 HIS   B N    1 ? 1 
ATOM   1283 C CA   . HIS   A 1 92  ? 5.128  -14.811 34.386  1   29.041 ? 104 HIS   B CA   1 ? 1 
ATOM   1284 C C    . HIS   A 1 92  ? 6.469  -14.121 34.103  1   27.34  ? 104 HIS   B C    1 ? 1 
ATOM   1285 O O    . HIS   A 1 92  ? 7.33   -14.017 34.976  1   29.224 ? 104 HIS   B O    1 ? 1 
ATOM   1286 C CB   . HIS   A 1 92  ? 4.214  -13.865 35.153  1   30.888 ? 104 HIS   B CB   1 ? 1 
ATOM   1287 C CG   . HIS   A 1 92  ? 2.811  -14.313 35.169  1   32.503 ? 104 HIS   B CG   1 ? 1 
ATOM   1288 N ND1  . HIS   A 1 92  ? 1.87   -13.592 35.866  1   34.438 ? 104 HIS   B ND1  1 ? 1 
ATOM   1289 C CD2  . HIS   A 1 92  ? 2.149  -15.313 34.524  1   32.931 ? 104 HIS   B CD2  1 ? 1 
ATOM   1290 C CE1  . HIS   A 1 92  ? 0.696  -14.188 35.687  1   35.534 ? 104 HIS   B CE1  1 ? 1 
ATOM   1291 N NE2  . HIS   A 1 92  ? 0.837  -15.221 34.881  1   33.964 ? 104 HIS   B NE2  1 ? 1 
ATOM   1292 H H    . HIS   A 1 92  ? 5.532  -15.994 36.024  1   28.178 ? 104 HIS   B H    1 c 1 
ATOM   1293 H HA   . HIS   A 1 92  ? 4.703  -15.034 33.525  1   28.601 ? 104 HIS   B HA   1 c 1 
ATOM   1294 H HB2  . HIS   A 1 92  ? 4.538  -13.791 36.077  1   30.938 ? 104 HIS   B HB2  1 c 1 
ATOM   1295 H HB3  . HIS   A 1 92  ? 4.261  -12.975 34.74   1   30.316 ? 104 HIS   B HB3  1 c 1 
ATOM   1296 H HD1  . HIS   A 1 92  ? 2      -12.852 36.34   0   30     ? 104 HIS   B HD1  1 c 1 
ATOM   1297 H HD2  . HIS   A 1 92  ? 2.523  -15.966 33.966  1   32.387 ? 104 HIS   B HD2  1 c 1 
ATOM   1298 H HE1  . HIS   A 1 92  ? -0.114 -13.901 36.074  1   36.662 ? 104 HIS   B HE1  1 c 1 
ATOM   1299 H HE2  . HIS   A 1 92  ? 0.185  -15.741 34.603  0   30     ? 104 HIS   B HE2  1 c 1 
ATOM   1300 N N    . LEU   A 1 93  ? 6.679  -13.769 32.813  1   27.008 ? 105 LEU   B N    1 ? 1 
ATOM   1301 C CA   . LEU   A 1 93  ? 7.837  -12.999 32.368  1   27.779 ? 105 LEU   B CA   1 ? 1 
ATOM   1302 C C    . LEU   A 1 93  ? 7.379  -11.665 31.791  1   26.103 ? 105 LEU   B C    1 ? 1 
ATOM   1303 O O    . LEU   A 1 93  ? 6.469  -11.601 30.943  1   31.226 ? 105 LEU   B O    1 ? 1 
ATOM   1304 C CB   . LEU   A 1 93  ? 8.654  -13.759 31.312  1   25.428 ? 105 LEU   B CB   1 ? 1 
ATOM   1305 C CG   . LEU   A 1 93  ? 9.278  -15.105 31.666  1   27.232 ? 105 LEU   B CG   1 ? 1 
ATOM   1306 C CD1  . LEU   A 1 93  ? 10.088 -15.703 30.538  1   31.313 ? 105 LEU   B CD1  1 ? 1 
ATOM   1307 C CD2  . LEU   A 1 93  ? 10.127 -14.99  32.935  1   29.825 ? 105 LEU   B CD2  1 ? 1 
ATOM   1308 H H    . LEU   A 1 93  ? 6.066  -14.024 32.186  1   27.577 ? 105 LEU   B H    1 c 1 
ATOM   1309 H HA   . LEU   A 1 93  ? 8.411  -12.823 33.151  1   26.767 ? 105 LEU   B HA   1 c 1 
ATOM   1310 H HB2  . LEU   A 1 93  ? 8.074  -13.893 30.527  1   26.405 ? 105 LEU   B HB2  1 c 1 
ATOM   1311 H HB3  . LEU   A 1 93  ? 9.377  -13.163 31.009  1   25.812 ? 105 LEU   B HB3  1 c 1 
ATOM   1312 H HG   . LEU   A 1 93  ? 8.538  -15.736 31.863  1   28.633 ? 105 LEU   B HG   1 c 1 
ATOM   1313 H HD11 . LEU   A 1 93  ? 9.52   -15.821 29.758  1   30.168 ? 105 LEU   B HD11 1 c 1 
ATOM   1314 H HD12 . LEU   A 1 93  ? 10.441 -16.566 30.814  1   30.368 ? 105 LEU   B HD12 1 c 1 
ATOM   1315 H HD13 . LEU   A 1 93  ? 10.824 -15.109 30.316  1   29.635 ? 105 LEU   B HD13 1 c 1 
ATOM   1316 H HD21 . LEU   A 1 93  ? 9.548  -14.851 33.703  1   29.369 ? 105 LEU   B HD21 1 c 1 
ATOM   1317 H HD22 . LEU   A 1 93  ? 10.737 -14.237 32.851  1   28.694 ? 105 LEU   B HD22 1 c 1 
ATOM   1318 H HD23 . LEU   A 1 93  ? 10.638 -15.807 33.06   1   29.358 ? 105 LEU   B HD23 1 c 1 
ATOM   1319 N N    . LEU   A 1 94  ? 8.136  -10.641 32.142  1   27.292 ? 106 LEU   B N    1 ? 1 
ATOM   1320 C CA   . LEU   A 1 94  ? 8.027  -9.33   31.513  1   28.312 ? 106 LEU   B CA   1 ? 1 
ATOM   1321 C C    . LEU   A 1 94  ? 9.386  -8.942  30.951  1   27.708 ? 106 LEU   B C    1 ? 1 
ATOM   1322 O O    . LEU   A 1 94  ? 10.392 -9.044  31.657  1   26.478 ? 106 LEU   B O    1 ? 1 
ATOM   1323 C CB   . LEU   A 1 94  ? 7.485  -8.279  32.492  1   28.46  ? 106 LEU   B CB   1 ? 1 
ATOM   1324 C CG   . LEU   A 1 94  ? 7.185  -6.911  31.876  1   31.608 ? 106 LEU   B CG   1 ? 1 
ATOM   1325 C CD1  . LEU   A 1 94  ? 5.913  -6.997  31.06   1   30.062 ? 106 LEU   B CD1  1 ? 1 
ATOM   1326 C CD2  . LEU   A 1 94  ? 7.044  -5.816  32.89   1   32.282 ? 106 LEU   B CD2  1 ? 1 
ATOM   1327 H H    . LEU   A 1 94  ? 8.753  -10.753 32.807  1   27.026 ? 106 LEU   B H    1 c 1 
ATOM   1328 H HA   . LEU   A 1 94  ? 7.397  -9.409  30.756  1   28.189 ? 106 LEU   B HA   1 c 1 
ATOM   1329 H HB2  . LEU   A 1 94  ? 6.657  -8.63   32.894  1   29.655 ? 106 LEU   B HB2  1 c 1 
ATOM   1330 H HB3  . LEU   A 1 94  ? 8.145  -8.159  33.213  1   29.09  ? 106 LEU   B HB3  1 c 1 
ATOM   1331 H HG   . LEU   A 1 94  ? 7.929  -6.672  31.266  1   30.236 ? 106 LEU   B HG   1 c 1 
ATOM   1332 H HD11 . LEU   A 1 94  ? 6.032  -7.632  30.335  1   30.218 ? 106 LEU   B HD11 1 c 1 
ATOM   1333 H HD12 . LEU   A 1 94  ? 5.704  -6.122  30.691  1   31.343 ? 106 LEU   B HD12 1 c 1 
ATOM   1334 H HD13 . LEU   A 1 94  ? 5.18   -7.29   31.628  1   31.228 ? 106 LEU   B HD13 1 c 1 
ATOM   1335 H HD21 . LEU   A 1 94  ? 7.865  -5.742  33.404  1   32.129 ? 106 LEU   B HD21 1 c 1 
ATOM   1336 H HD22 . LEU   A 1 94  ? 6.305  -6.02   33.488  1   32.959 ? 106 LEU   B HD22 1 c 1 
ATOM   1337 H HD23 . LEU   A 1 94  ? 6.869  -4.974  32.436  1   32.936 ? 106 LEU   B HD23 1 c 1 
ATOM   1338 N N    . ILE   A 1 95  ? 9.42   -8.569  29.634  1   25.116 ? 107 ILE   B N    1 ? 1 
ATOM   1339 C CA   . ILE   A 1 95  ? 10.618 -8.589  28.83   1   28.355 ? 107 ILE   B CA   1 ? 1 
ATOM   1340 C C    . ILE   A 1 95  ? 10.83  -7.266  28.135  1   27.721 ? 107 ILE   B C    1 ? 1 
ATOM   1341 O O    . ILE   A 1 95  ? 9.948  -6.851  27.401  1   28.552 ? 107 ILE   B O    1 ? 1 
ATOM   1342 C CB   . ILE   A 1 95  ? 10.524 -9.716  27.819  1   29.61  ? 107 ILE   B CB   1 ? 1 
ATOM   1343 C CG1  . ILE   A 1 95  ? 10.249 -11.069 28.554  1   27.44  ? 107 ILE   B CG1  1 ? 1 
ATOM   1344 C CG2  . ILE   A 1 95  ? 11.759 -9.748  26.927  1   29.494 ? 107 ILE   B CG2  1 ? 1 
ATOM   1345 C CD1  . ILE   A 1 95  ? 9.747  -12.185 27.648  1   29.416 ? 107 ILE   B CD1  1 ? 1 
ATOM   1346 H H    . ILE   A 1 95  ? 8.644  -8.287  29.242  1   26.905 ? 107 ILE   B H    1 c 1 
ATOM   1347 H HA   . ILE   A 1 95  ? 11.381 -8.763  29.413  1   27.421 ? 107 ILE   B HA   1 c 1 
ATOM   1348 H HB   . ILE   A 1 95  ? 9.752  -9.532  27.248  1   29.306 ? 107 ILE   B HB   1 c 1 
ATOM   1349 H HG12 . ILE   A 1 95  ? 11.076 -11.364 28.986  1   28.034 ? 107 ILE   B HG12 1 c 1 
ATOM   1350 H HG13 . ILE   A 1 95  ? 9.584  -10.919 29.256  1   28.288 ? 107 ILE   B HG13 1 c 1 
ATOM   1351 H HG21 . ILE   A 1 95  ? 11.814 -10.607 26.478  1   29.556 ? 107 ILE   B HG21 1 c 1 
ATOM   1352 H HG22 . ILE   A 1 95  ? 12.556 -9.615  27.467  1   29.402 ? 107 ILE   B HG22 1 c 1 
ATOM   1353 H HG23 . ILE   A 1 95  ? 11.699 -9.043  26.261  1   29.877 ? 107 ILE   B HG23 1 c 1 
ATOM   1354 H HD11 . ILE   A 1 95  ? 8.941  -11.888 27.186  1   29.268 ? 107 ILE   B HD11 1 c 1 
ATOM   1355 H HD12 . ILE   A 1 95  ? 9.54   -12.974 28.185  1   28.927 ? 107 ILE   B HD12 1 c 1 
ATOM   1356 H HD13 . ILE   A 1 95  ? 10.431 -12.412 26.991  1   28.96  ? 107 ILE   B HD13 1 c 1 
ATOM   1357 N N    . LYS   A 1 96  ? 11.984 -6.608  28.394  1   26.835 ? 108 LYS   B N    1 ? 1 
ATOM   1358 C CA   . LYS   A 1 96  ? 12.35  -5.377  27.66   1   27.792 ? 108 LYS   B CA   1 ? 1 
ATOM   1359 C C    . LYS   A 1 96  ? 12.809 -5.739  26.269  1   27.218 ? 108 LYS   B C    1 ? 1 
ATOM   1360 O O    . LYS   A 1 96  ? 13.193 -6.873  26.014  1   27.031 ? 108 LYS   B O    1 ? 1 
ATOM   1361 C CB   . LYS   A 1 96  ? 13.496 -4.585  28.328  1   34.032 ? 108 LYS   B CB   1 ? 1 
ATOM   1362 C CG   . LYS   A 1 96  ? 13.189 -3.967  29.657  1   34.118 ? 108 LYS   B CG   1 ? 1 
ATOM   1363 C CD   . LYS   A 1 96  ? 14.383 -3.152  30.213  1   35.269 ? 108 LYS   B CD   1 ? 1 
ATOM   1364 C CE   . LYS   A 1 96  ? 14.183 -2.629  31.624  1   42.272 ? 108 LYS   B CE   1 ? 1 
ATOM   1365 N NZ   . LYS   A 1 96  ? 15.421 -1.911  31.986  1   45.761 ? 108 LYS   B NZ   1 ? 1 
ATOM   1366 H H    . LYS   A 1 96  ? 12.553 -6.925  29.035  1   26.904 ? 108 LYS   B H    1 c 1 
ATOM   1367 H HA   . LYS   A 1 96  ? 11.547 -4.8    27.598  1   28.97  ? 108 LYS   B HA   1 c 1 
ATOM   1368 H HB2  . LYS   A 1 96  ? 14.258 -5.191  28.445  1   32.253 ? 108 LYS   B HB2  1 c 1 
ATOM   1369 H HB3  . LYS   A 1 96  ? 13.783 -3.871  27.722  1   33.139 ? 108 LYS   B HB3  1 c 1 
ATOM   1370 H HG2  . LYS   A 1 96  ? 12.411 -3.377  29.561  1   34.714 ? 108 LYS   B HG2  1 c 1 
ATOM   1371 H HG3  . LYS   A 1 96  ? 12.958 -4.679  30.293  1   33.685 ? 108 LYS   B HG3  1 c 1 
ATOM   1372 H HD2  . LYS   A 1 96  ? 15.184 -3.719  30.196  1   36.352 ? 108 LYS   B HD2  1 c 1 
ATOM   1373 H HD3  . LYS   A 1 96  ? 14.548 -2.391  29.614  1   37.326 ? 108 LYS   B HD3  1 c 1 
ATOM   1374 H HE2  . LYS   A 1 96  ? 13.426 -2.017  31.658  1   41.666 ? 108 LYS   B HE2  1 c 1 
ATOM   1375 H HE3  . LYS   A 1 96  ? 14.033 -3.362  32.246  1   40.62  ? 108 LYS   B HE3  1 c 1 
ATOM   1376 H HZ1  . LYS   A 1 96  ? 15.57  -1.236  31.401  1   45.529 ? 108 LYS   B HZ1  1 c 1 
ATOM   1377 H HZ2  . LYS   A 1 96  ? 16.125 -2.482  31.97   1   44.64  ? 108 LYS   B HZ2  1 c 1 
ATOM   1378 H HZ3  . LYS   A 1 96  ? 15.339 -1.567  32.82   1   45.553 ? 108 LYS   B HZ3  1 c 1 
ATOM   1379 N N    . PRO   A 1 97  ? 12.768 -4.776  25.296  1   28.898 ? 109 PRO   B N    1 ? 1 
ATOM   1380 C CA   . PRO   A 1 97  ? 13.034 -5.111  23.899  1   27.807 ? 109 PRO   B CA   1 ? 1 
ATOM   1381 C C    . PRO   A 1 97  ? 14.397 -5.692  23.634  1   26.287 ? 109 PRO   B C    1 ? 1 
ATOM   1382 O O    . PRO   A 1 97  ? 14.583 -6.482  22.705  1   30.545 ? 109 PRO   B O    1 ? 1 
ATOM   1383 C CB   . PRO   A 1 97  ? 12.676 -3.803  23.18   1   30.771 ? 109 PRO   B CB   1 ? 1 
ATOM   1384 C CG   . PRO   A 1 97  ? 12.548 -2.699  24.191  1   30.154 ? 109 PRO   B CG   1 ? 1 
ATOM   1385 C CD   . PRO   A 1 97  ? 12.286 -3.411  25.509  1   29.616 ? 109 PRO   B CD   1 ? 1 
ATOM   1386 H HA   . PRO   A 1 97  ? 12.361 -5.79   23.642  1   27.79  ? 109 PRO   B HA   1 c 1 
ATOM   1387 H HB2  . PRO   A 1 97  ? 13.373 -3.576  22.52   1   30.916 ? 109 PRO   B HB2  1 c 1 
ATOM   1388 H HB3  . PRO   A 1 97  ? 11.83  -3.908  22.686  1   30.501 ? 109 PRO   B HB3  1 c 1 
ATOM   1389 H HG2  . PRO   A 1 97  ? 13.372 -2.172  24.239  1   31.054 ? 109 PRO   B HG2  1 c 1 
ATOM   1390 H HG3  . PRO   A 1 97  ? 11.804 -2.103  23.965  1   31.277 ? 109 PRO   B HG3  1 c 1 
ATOM   1391 H HD2  . PRO   A 1 97  ? 12.773 -2.973  26.239  1   29.646 ? 109 PRO   B HD2  1 c 1 
ATOM   1392 H HD3  . PRO   A 1 97  ? 11.326 -3.408  25.722  1   29.491 ? 109 PRO   B HD3  1 c 1 
ATOM   1393 N N    . GLU   A 1 98  ? 15.373 -5.302  24.462  1   28.905 ? 110 GLU   B N    1 ? 1 
ATOM   1394 C CA   . GLU   A 1 98  ? 16.722 -5.822  24.342  1   30.859 ? 110 GLU   B CA   1 ? 1 
ATOM   1395 C C    . GLU   A 1 98  ? 16.766 -7.349  24.399  1   28.923 ? 110 GLU   B C    1 ? 1 
ATOM   1396 O O    . GLU   A 1 98  ? 17.683 -7.942  23.793  1   32.918 ? 110 GLU   B O    1 ? 1 
ATOM   1397 C CB   . GLU   A 1 98  ? 17.746 -5.277  25.332  1   36.183 ? 110 GLU   B CB   1 ? 1 
ATOM   1398 C CG   . GLU   A 1 98  ? 18.034 -3.792  25.2    1   40.896 ? 110 GLU   B CG   1 ? 1 
ATOM   1399 C CD   . GLU   A 1 98  ? 16.888 -2.822  25.566  1   49.953 ? 110 GLU   B CD   1 ? 1 
ATOM   1400 O OE1  . GLU   A 1 98  ? 15.913 -3.143  26.319  1   35.321 ? 110 GLU   B OE1  1 ? 1 
ATOM   1401 O OE2  . GLU   A 1 98  ? 16.966 -1.693  25.015  1   55.105 ? 110 GLU   B OE2  1 ? 1 
ATOM   1402 H H    . GLU   A 1 98  ? 15.191 -4.696  25.121  1   28.659 ? 110 GLU   B H    1 c 1 
ATOM   1403 H HA   . GLU   A 1 98  ? 17.05  -5.56   23.446  1   32.181 ? 110 GLU   B HA   1 c 1 
ATOM   1404 H HB2  . GLU   A 1 98  ? 17.425 -5.453  26.242  1   34.974 ? 110 GLU   B HB2  1 c 1 
ATOM   1405 H HB3  . GLU   A 1 98  ? 18.587 -5.767  25.215  1   36.038 ? 110 GLU   B HB3  1 c 1 
ATOM   1406 H HG2  . GLU   A 1 98  ? 18.806 -3.574  25.764  1   42.387 ? 110 GLU   B HG2  1 c 1 
ATOM   1407 H HG3  . GLU   A 1 98  ? 18.3   -3.609  24.274  1   42.758 ? 110 GLU   B HG3  1 c 1 
ATOM   1408 N N    . TYR   A 1 99  ? 15.829 -7.971  25.139  1   28.453 ? 111 TYR   B N    1 ? 1 
ATOM   1409 C CA   . TYR   A 1 99  ? 15.806 -9.425  25.252  1   29.918 ? 111 TYR   B CA   1 ? 1 
ATOM   1410 C C    . TYR   A 1 99  ? 14.678 -10.039 24.427  1   31.116 ? 111 TYR   B C    1 ? 1 
ATOM   1411 O O    . TYR   A 1 99  ? 14.334 -11.216 24.566  1   28.158 ? 111 TYR   B O    1 ? 1 
ATOM   1412 C CB   . TYR   A 1 99  ? 15.672 -9.725  26.736  1   28.672 ? 111 TYR   B CB   1 ? 1 
ATOM   1413 C CG   . TYR   A 1 99  ? 16.896 -9.326  27.529  1   28.7   ? 111 TYR   B CG   1 ? 1 
ATOM   1414 C CD1  . TYR   A 1 99  ? 17.957 -10.211 27.71   1   32.147 ? 111 TYR   B CD1  1 ? 1 
ATOM   1415 C CD2  . TYR   A 1 99  ? 16.998 -8.083  28.136  1   27.536 ? 111 TYR   B CD2  1 ? 1 
ATOM   1416 C CE1  . TYR   A 1 99  ? 19.127 -9.817  28.338  1   32.637 ? 111 TYR   B CE1  1 ? 1 
ATOM   1417 C CE2  . TYR   A 1 99  ? 18.167 -7.678  28.745  1   27.305 ? 111 TYR   B CE2  1 ? 1 
ATOM   1418 C CZ   . TYR   A 1 99  ? 19.198 -8.585  28.933  1   32.058 ? 111 TYR   B CZ   1 ? 1 
ATOM   1419 O OH   . TYR   A 1 99  ? 20.368 -8.259  29.567  1   30.686 ? 111 TYR   B OH   1 ? 1 
ATOM   1420 H H    . TYR   A 1 99  ? 15.203 -7.482  25.589  1   28.391 ? 111 TYR   B H    1 c 1 
ATOM   1421 H HA   . TYR   A 1 99  ? 16.673 -9.789  24.931  1   30.223 ? 111 TYR   B HA   1 c 1 
ATOM   1422 H HB2  . TYR   A 1 99  ? 14.89  -9.244  27.087  1   28.341 ? 111 TYR   B HB2  1 c 1 
ATOM   1423 H HB3  . TYR   A 1 99  ? 15.517 -10.689 26.851  1   28.483 ? 111 TYR   B HB3  1 c 1 
ATOM   1424 H HD1  . TYR   A 1 99  ? 17.922 -11.06  27.301  1   31.332 ? 111 TYR   B HD1  1 c 1 
ATOM   1425 H HD2  . TYR   A 1 99  ? 16.308 -7.452  28.008  1   27.51  ? 111 TYR   B HD2  1 c 1 
ATOM   1426 H HE1  . TYR   A 1 99  ? 19.831 -10.433 28.45   1   33.037 ? 111 TYR   B HE1  1 c 1 
ATOM   1427 H HE2  . TYR   A 1 99  ? 18.213 -6.83   29.152  1   28.887 ? 111 TYR   B HE2  1 c 1 
ATOM   1428 H HH   . TYR   A 1 99  ? 20.901 -7.869  29.022  0   30     ? 111 TYR   B HH   1 c 1 
ATOM   1429 N N    . ALA   A 1 100 ? 14.111 -9.23   23.52   1   28.215 ? 112 ALA   B N    1 ? 1 
ATOM   1430 C CA   . ALA   A 1 100 ? 13.033 -9.682  22.658  1   27.78  ? 112 ALA   B CA   1 ? 1 
ATOM   1431 C C    . ALA   A 1 100 ? 13.349 -9.253  21.222  1   28.791 ? 112 ALA   B C    1 ? 1 
ATOM   1432 O O    . ALA   A 1 100 ? 14.263 -9.847  20.634  1   30.489 ? 112 ALA   B O    1 ? 1 
ATOM   1433 C CB   . ALA   A 1 100 ? 11.714 -9.165  23.143  1   28.372 ? 112 ALA   B CB   1 ? 1 
ATOM   1434 H H    . ALA   A 1 100 ? 14.411 -8.373  23.429  1   29.12  ? 112 ALA   B H    1 c 1 
ATOM   1435 H HA   . ALA   A 1 100 ? 13.012 -10.677 22.679  1   27.943 ? 112 ALA   B HA   1 c 1 
ATOM   1436 H HB1  . ALA   A 1 100 ? 11.479 -9.604  23.978  1   27.48  ? 112 ALA   B HB1  1 c 1 
ATOM   1437 H HB2  . ALA   A 1 100 ? 11.773 -8.206  23.292  1   28.303 ? 112 ALA   B HB2  1 c 1 
ATOM   1438 H HB3  . ALA   A 1 100 ? 11.025 -9.347  22.482  1   28.642 ? 112 ALA   B HB3  1 c 1 
ATOM   1439 N N    . TYR   A 1 101 ? 12.616 -8.283  20.639  1   31.468 ? 113 TYR   B N    1 ? 1 
ATOM   1440 C CA   . TYR   A 1 101 ? 12.827 -7.936  19.234  1   31.733 ? 113 TYR   B CA   1 ? 1 
ATOM   1441 C C    . TYR   A 1 101 ? 13.459 -6.581  18.993  1   31.578 ? 113 TYR   B C    1 ? 1 
ATOM   1442 O O    . TYR   A 1 101 ? 13.586 -6.217  17.833  1   33.397 ? 113 TYR   B O    1 ? 1 
ATOM   1443 C CB   . TYR   A 1 101 ? 11.523 -7.991  18.453  1   29.581 ? 113 TYR   B CB   1 ? 1 
ATOM   1444 C CG   . TYR   A 1 101 ? 10.91  -9.368  18.508  1   30.283 ? 113 TYR   B CG   1 ? 1 
ATOM   1445 C CD1  . TYR   A 1 101 ? 11.322 -10.372 17.616  1   32.15  ? 113 TYR   B CD1  1 ? 1 
ATOM   1446 C CD2  . TYR   A 1 101 ? 9.968  -9.693  19.431  1   30.18  ? 113 TYR   B CD2  1 ? 1 
ATOM   1447 C CE1  . TYR   A 1 101 ? 10.808 -11.658 17.727  1   30.648 ? 113 TYR   B CE1  1 ? 1 
ATOM   1448 C CE2  . TYR   A 1 101 ? 9.481  -10.995 19.581  1   28.665 ? 113 TYR   B CE2  1 ? 1 
ATOM   1449 C CZ   . TYR   A 1 101 ? 9.84   -11.952 18.68   1   31.237 ? 113 TYR   B CZ   1 ? 1 
ATOM   1450 O OH   . TYR   A 1 101 ? 9.304  -13.223 18.782  1   33.619 ? 113 TYR   B OH   1 ? 1 
ATOM   1451 H H    . TYR   A 1 101 ? 11.988 -7.825  21.118  1   30.35  ? 113 TYR   B H    1 c 1 
ATOM   1452 H HA   . TYR   A 1 101 ? 13.433 -8.619  18.844  1   31.496 ? 113 TYR   B HA   1 c 1 
ATOM   1453 H HB2  . TYR   A 1 101 ? 10.894 -7.34   18.834  1   30.419 ? 113 TYR   B HB2  1 c 1 
ATOM   1454 H HB3  . TYR   A 1 101 ? 11.698 -7.753  17.515  1   31.779 ? 113 TYR   B HB3  1 c 1 
ATOM   1455 H HD1  . TYR   A 1 101 ? 11.977 -10.182 16.962  1   32.471 ? 113 TYR   B HD1  1 c 1 
ATOM   1456 H HD2  . TYR   A 1 101 ? 9.713  -9.041  20.064  1   29.184 ? 113 TYR   B HD2  1 c 1 
ATOM   1457 H HE1  . TYR   A 1 101 ? 11.074 -12.321 17.113  1   32.19  ? 113 TYR   B HE1  1 c 1 
ATOM   1458 H HE2  . TYR   A 1 101 ? 8.81   -11.178 20.216  1   28.949 ? 113 TYR   B HE2  1 c 1 
ATOM   1459 H HH   . TYR   A 1 101 ? 9.756  -13.689 19.336  0   30     ? 113 TYR   B HH   1 c 1 
ATOM   1460 N N    . GLY   A 1 102 ? 13.833 -5.835  20.048  1   30.287 ? 114 GLY   B N    1 ? 1 
ATOM   1461 C CA   . GLY   A 1 102 ? 14.8   -4.76   19.882  1   34.844 ? 114 GLY   B CA   1 ? 1 
ATOM   1462 C C    . GLY   A 1 102 ? 14.166 -3.561  19.186  1   35.018 ? 114 GLY   B C    1 ? 1 
ATOM   1463 O O    . GLY   A 1 102 ? 12.942 -3.459  19.026  1   34.668 ? 114 GLY   B O    1 ? 1 
ATOM   1464 H H    . GLY   A 1 102 ? 13.478 -5.993  20.876  1   30.192 ? 114 GLY   B H    1 c 1 
ATOM   1465 H HA2  . GLY   A 1 102 ? 15.139 -4.489  20.767  1   33.062 ? 114 GLY   B HA2  1 c 1 
ATOM   1466 H HA3  . GLY   A 1 102 ? 15.562 -5.088  19.349  1   34.289 ? 114 GLY   B HA3  1 c 1 
ATOM   1467 N N    . SER   A 1 103 ? 15.006 -2.646  18.741  1   39.787 ? 115 SER   B N    1 ? 1 
ATOM   1468 C CA   . SER   A 1 103 ? 14.457 -1.425  18.147  1   38.975 ? 115 SER   B CA   1 ? 1 
ATOM   1469 C C    . SER   A 1 103 ? 14.04  -1.711  16.724  1   38.416 ? 115 SER   B C    1 ? 1 
ATOM   1470 O O    . SER   A 1 103 ? 13.181 -1.034  16.191  1   38.802 ? 115 SER   B O    1 ? 1 
ATOM   1471 C CB   . SER   A 1 103 ? 15.385 -0.233  18.29   1   47.084 ? 115 SER   B CB   1 ? 1 
ATOM   1472 O OG   . SER   A 1 103 ? 16.626 -0.485  17.652  1   53.663 ? 115 SER   B OG   1 ? 1 
ATOM   1473 H H    . SER   A 1 103 ? 15.911 -2.763  18.797  1   38.54  ? 115 SER   B H    1 c 1 
ATOM   1474 H HA   . SER   A 1 103 ? 13.632 -1.207  18.645  1   39.626 ? 115 SER   B HA   1 c 1 
ATOM   1475 H HB2  . SER   A 1 103 ? 14.967 0.553   17.89   1   47.843 ? 115 SER   B HB2  1 c 1 
ATOM   1476 H HB3  . SER   A 1 103 ? 15.537 -0.052  19.237  1   45.692 ? 115 SER   B HB3  1 c 1 
ATOM   1477 H HG   . SER   A 1 103 ? 17.159 0.148   17.76   0   30     ? 115 SER   B HG   1 c 1 
ATOM   1478 N N    . ALA   A 1 104 ? 14.547 -2.795  16.142  1   39.362 ? 116 ALA   B N    1 ? 1 
ATOM   1479 C CA   . ALA   A 1 104 ? 14.109 -3.17   14.816  1   41.897 ? 116 ALA   B CA   1 ? 1 
ATOM   1480 C C    . ALA   A 1 104 ? 12.668 -3.67   14.816  1   36.123 ? 116 ALA   B C    1 ? 1 
ATOM   1481 O O    . ALA   A 1 104 ? 11.902 -3.467  13.863  1   37.409 ? 116 ALA   B O    1 ? 1 
ATOM   1482 C CB   . ALA   A 1 104 ? 15.091 -4.174  14.212  1   44.251 ? 116 ALA   B CB   1 ? 1 
ATOM   1483 H H    . ALA   A 1 104 ? 15.182 -3.298  16.564  1   38.517 ? 116 ALA   B H    1 c 1 
ATOM   1484 H HA   . ALA   A 1 104 ? 14.133 -2.347  14.253  1   42.568 ? 116 ALA   B HA   1 c 1 
ATOM   1485 H HB1  . ALA   A 1 104 ? 15.975 -3.775  14.158  1   44.388 ? 116 ALA   B HB1  1 c 1 
ATOM   1486 H HB2  . ALA   A 1 104 ? 15.131 -4.969  14.77   1   42.239 ? 116 ALA   B HB2  1 c 1 
ATOM   1487 H HB3  . ALA   A 1 104 ? 14.796 -4.424  13.32   1   44.951 ? 116 ALA   B HB3  1 c 1 
ATOM   1488 N N    . GLY   A 1 105 ? 12.311 -4.384  15.844  1   35.411 ? 117 GLY   B N    1 ? 1 
ATOM   1489 C CA   . GLY   A 1 105 ? 11     -5.02   15.915  1   33.021 ? 117 GLY   B CA   1 ? 1 
ATOM   1490 C C    . GLY   A 1 105 ? 10.973 -6.281  15.056  1   34.686 ? 117 GLY   B C    1 ? 1 
ATOM   1491 O O    . GLY   A 1 105 ? 11.996 -6.674  14.471  1   34.842 ? 117 GLY   B O    1 ? 1 
ATOM   1492 H H    . GLY   A 1 105 ? 12.892 -4.499  16.54   1   33.559 ? 117 GLY   B H    1 c 1 
ATOM   1493 H HA2  . GLY   A 1 105 ? 10.802 -5.253  16.851  1   32.301 ? 117 GLY   B HA2  1 c 1 
ATOM   1494 H HA3  . GLY   A 1 105 ? 10.31  -4.388  15.604  1   34.787 ? 117 GLY   B HA3  1 c 1 
ATOM   1495 N N    . SER   A 1 106 ? 9.744  -6.724  14.804  1   34.125 ? 118 SER   B N    1 ? 1 
ATOM   1496 C CA   . SER   A 1 106 ? 9.433  -7.802  13.909  1   37.162 ? 118 SER   B CA   1 ? 1 
ATOM   1497 C C    . SER   A 1 106 ? 8.011  -7.613  13.38   1   39.829 ? 118 SER   B C    1 ? 1 
ATOM   1498 O O    . SER   A 1 106 ? 7.092  -8.349  13.697  1   39.377 ? 118 SER   B O    1 ? 1 
ATOM   1499 C CB   . SER   A 1 106 ? 9.632  -9.174  14.614  1   34.839 ? 118 SER   B CB   1 ? 1 
ATOM   1500 O OG   . SER   A 1 106 ? 9.811  -10.128 13.57   1   36.959 ? 118 SER   B OG   1 ? 1 
ATOM   1501 H H    . SER   A 1 106 ? 9.049  -6.314  15.233  1   34.617 ? 118 SER   B H    1 c 1 
ATOM   1502 H HA   . SER   A 1 106 ? 10.057 -7.753  13.139  1   37.999 ? 118 SER   B HA   1 c 1 
ATOM   1503 H HB2  . SER   A 1 106 ? 10.422 -9.148  15.187  1   33.976 ? 118 SER   B HB2  1 c 1 
ATOM   1504 H HB3  . SER   A 1 106 ? 8.847  -9.399  15.149  1   34.503 ? 118 SER   B HB3  1 c 1 
ATOM   1505 H HG   . SER   A 1 106 ? 9.901  -10.888 13.914  0   30     ? 118 SER   B HG   1 c 1 
ATOM   1506 N N    . LEU   A 1 107 ? 7.855  -6.707  12.399  1   39.886 ? 119 LEU   B N    1 ? 1 
ATOM   1507 C CA   . LEU   A 1 107 ? 6.54   -6.358  11.881  1   41.531 ? 119 LEU   B CA   1 ? 1 
ATOM   1508 C C    . LEU   A 1 107 ? 6.027  -7.51   11.011  1   46.543 ? 119 LEU   B C    1 ? 1 
ATOM   1509 O O    . LEU   A 1 107 ? 6.785  -8.214  10.325  1   44.574 ? 119 LEU   B O    1 ? 1 
ATOM   1510 C CB   . LEU   A 1 107 ? 6.603  -5.058  11.055  1   44.609 ? 119 LEU   B CB   1 ? 1 
ATOM   1511 C CG   . LEU   A 1 107 ? 6.759  -3.783  11.897  1   44.456 ? 119 LEU   B CG   1 ? 1 
ATOM   1512 C CD1  . LEU   A 1 107 ? 6.801  -2.577  11.084  1   47.441 ? 119 LEU   B CD1  1 ? 1 
ATOM   1513 C CD2  . LEU   A 1 107 ? 5.698  -3.6    12.976  1   42.469 ? 119 LEU   B CD2  1 ? 1 
ATOM   1514 H H    . LEU   A 1 107 ? 8.592  -6.298  12.045  1   40.801 ? 119 LEU   B H    1 c 1 
ATOM   1515 H HA   . LEU   A 1 107 ? 5.929  -6.233  12.648  1   41.466 ? 119 LEU   B HA   1 c 1 
ATOM   1516 H HB2  . LEU   A 1 107 ? 7.365  -5.121  10.435  1   45.34  ? 119 LEU   B HB2  1 c 1 
ATOM   1517 H HB3  . LEU   A 1 107 ? 5.777  -4.985  10.523  1   46.559 ? 119 LEU   B HB3  1 c 1 
ATOM   1518 H HG   . LEU   A 1 107 ? 7.632  -3.845  12.364  1   42.677 ? 119 LEU   B HG   1 c 1 
ATOM   1519 H HD11 . LEU   A 1 107 ? 7.462  -2.684  10.379  1   48.221 ? 119 LEU   B HD11 1 c 1 
ATOM   1520 H HD12 . LEU   A 1 107 ? 7.043  -1.817  11.64   1   46.779 ? 119 LEU   B HD12 1 c 1 
ATOM   1521 H HD13 . LEU   A 1 107 ? 5.928  -2.422  10.687  1   48.979 ? 119 LEU   B HD13 1 c 1 
ATOM   1522 H HD21 . LEU   A 1 107 ? 5.841  -4.246  13.687  1   40.854 ? 119 LEU   B HD21 1 c 1 
ATOM   1523 H HD22 . LEU   A 1 107 ? 4.816  -3.735  12.59   1   44.164 ? 119 LEU   B HD22 1 c 1 
ATOM   1524 H HD23 . LEU   A 1 107 ? 5.756  -2.701  13.342  1   42.853 ? 119 LEU   B HD23 1 c 1 
ATOM   1525 N N    . PRO   A 1 108 ? 4.696  -7.68   10.886  1   50.108 ? 120 PRO   B N    1 ? 1 
ATOM   1526 C CA   . PRO   A 1 108 ? 3.701  -6.803  11.515  1   50.029 ? 120 PRO   B CA   1 ? 1 
ATOM   1527 C C    . PRO   A 1 108 ? 3.36   -7.181  12.949  1   46.219 ? 120 PRO   B C    1 ? 1 
ATOM   1528 O O    . PRO   A 1 108 ? 2.711  -6.384  13.643  1   46.199 ? 120 PRO   B O    1 ? 1 
ATOM   1529 C CB   . PRO   A 1 108 ? 2.45   -6.977  10.668  1   51.953 ? 120 PRO   B CB   1 ? 1 
ATOM   1530 C CG   . PRO   A 1 108 ? 2.74   -8.128  9.746   1   56.288 ? 120 PRO   B CG   1 ? 1 
ATOM   1531 C CD   . PRO   A 1 108 ? 4.092  -8.711  10.064  1   52.807 ? 120 PRO   B CD   1 ? 1 
ATOM   1532 H HA   . PRO   A 1 108 ? 4.001  -5.863  11.473  1   49.783 ? 120 PRO   B HA   1 c 1 
ATOM   1533 H HB2  . PRO   A 1 108 ? 1.667  -7.173  11.234  1   52.658 ? 120 PRO   B HB2  1 c 1 
ATOM   1534 H HB3  . PRO   A 1 108 ? 2.263  -6.158  10.152  1   54.683 ? 120 PRO   B HB3  1 c 1 
ATOM   1535 H HG2  . PRO   A 1 108 ? 2.05   -8.817  9.848   1   55.673 ? 120 PRO   B HG2  1 c 1 
ATOM   1536 H HG3  . PRO   A 1 108 ? 2.722  -7.821  8.815   1   57.493 ? 120 PRO   B HG3  1 c 1 
ATOM   1537 H HD2  . PRO   A 1 108 ? 4.007  -9.556  10.559  1   51.68  ? 120 PRO   B HD2  1 c 1 
ATOM   1538 H HD3  . PRO   A 1 108 ? 4.612  -8.864  9.244   1   54.057 ? 120 PRO   B HD3  1 c 1 
ATOM   1539 N N    . LYS   A 1 109 ? 3.81   -8.33   13.428  1   48.539 ? 121 LYS   B N    1 ? 1 
ATOM   1540 C CA   . LYS   A 1 109 ? 3.407  -8.696  14.784  1   46.959 ? 121 LYS   B CA   1 ? 1 
ATOM   1541 C C    . LYS   A 1 109 ? 3.982  -7.759  15.843  1   46.154 ? 121 LYS   B C    1 ? 1 
ATOM   1542 O O    . LYS   A 1 109 ? 3.323  -7.442  16.814  1   43.182 ? 121 LYS   B O    1 ? 1 
ATOM   1543 C CB   . LYS   A 1 109 ? 3.717  -10.147 15.146  1   51.071 ? 121 LYS   B CB   1 ? 1 
ATOM   1544 C CG   . LYS   A 1 109 ? 2.849  -11.166 14.365  1   55.93  ? 121 LYS   B CG   1 ? 1 
ATOM   1545 C CD   . LYS   A 1 109 ? 2.859  -12.594 14.941  1   55.079 ? 121 LYS   B CD   1 ? 1 
ATOM   1546 C CE   . LYS   A 1 109 ? 1.872  -13.507 14.242  1   64.514 ? 121 LYS   B CE   1 ? 1 
ATOM   1547 N NZ   . LYS   A 1 109 ? 0.503  -13.332 14.758  1   65.873 ? 121 LYS   B NZ   1 ? 1 
ATOM   1548 H H    . LYS   A 1 109 ? 4.349  -8.884  12.94   1   47.671 ? 121 LYS   B H    1 c 1 
ATOM   1549 H HA   . LYS   A 1 109 ? 2.42   -8.612  14.828  1   49.089 ? 121 LYS   B HA   1 c 1 
ATOM   1550 H HB2  . LYS   A 1 109 ? 4.663  -10.33  14.958  1   49.628 ? 121 LYS   B HB2  1 c 1 
ATOM   1551 H HB3  . LYS   A 1 109 ? 3.569  -10.279 16.106  1   48.914 ? 121 LYS   B HB3  1 c 1 
ATOM   1552 H HG2  . LYS   A 1 109 ? 1.924  -10.837 14.35   1   56.495 ? 121 LYS   B HG2  1 c 1 
ATOM   1553 H HG3  . LYS   A 1 109 ? 3.168  -11.197 13.437  1   56.58  ? 121 LYS   B HG3  1 c 1 
ATOM   1554 H HD2  . LYS   A 1 109 ? 3.761  -12.968 14.852  1   55.673 ? 121 LYS   B HD2  1 c 1 
ATOM   1555 H HD3  . LYS   A 1 109 ? 2.639  -12.555 15.897  1   55.278 ? 121 LYS   B HD3  1 c 1 
ATOM   1556 H HE2  . LYS   A 1 109 ? 1.876  -13.319 13.287  1   64.54  ? 121 LYS   B HE2  1 c 1 
ATOM   1557 H HE3  . LYS   A 1 109 ? 2.142  -14.434 14.37   1   62.575 ? 121 LYS   B HE3  1 c 1 
ATOM   1558 H HZ1  . LYS   A 1 109 ? 0.243  -12.471 14.654  1   66.13  ? 121 LYS   B HZ1  1 c 1 
ATOM   1559 H HZ2  . LYS   A 1 109 ? 0.478  -13.546 15.638  1   64.33  ? 121 LYS   B HZ2  1 c 1 
ATOM   1560 H HZ3  . LYS   A 1 109 ? -0.066 -13.872 14.305  1   67.432 ? 121 LYS   B HZ3  1 c 1 
ATOM   1561 N N    . ILE   A 1 110 ? 5.254  -7.401  15.759  1   41.584 ? 122 ILE   B N    1 ? 1 
ATOM   1562 C CA   . ILE   A 1 110 ? 5.89   -6.761  16.889  1   40.003 ? 122 ILE   B CA   1 ? 1 
ATOM   1563 C C    . ILE   A 1 110 ? 6.46   -5.406  16.478  1   39.504 ? 122 ILE   B C    1 ? 1 
ATOM   1564 O O    . ILE   A 1 110 ? 7.294  -5.367  15.594  1   41.221 ? 122 ILE   B O    1 ? 1 
ATOM   1565 C CB   . ILE   A 1 110 ? 7.054  -7.624  17.404  1   37.163 ? 122 ILE   B CB   1 ? 1 
ATOM   1566 C CG1  . ILE   A 1 110 ? 6.715  -9.12   17.587  1   39.391 ? 122 ILE   B CG1  1 ? 1 
ATOM   1567 C CG2  . ILE   A 1 110 ? 7.601  -6.981  18.667  1   33.618 ? 122 ILE   B CG2  1 ? 1 
ATOM   1568 C CD1  . ILE   A 1 110 ? 5.634  -9.398  18.611  1   43.369 ? 122 ILE   B CD1  1 ? 1 
ATOM   1569 H H    . ILE   A 1 110 ? 5.733  -7.555  14.997  1   43.183 ? 122 ILE   B H    1 c 1 
ATOM   1570 H HA   . ILE   A 1 110 ? 5.241  -6.641  17.605  1   39.192 ? 122 ILE   B HA   1 c 1 
ATOM   1571 H HB   . ILE   A 1 110 ? 7.762  -7.579  16.731  1   37.908 ? 122 ILE   B HB   1 c 1 
ATOM   1572 H HG12 . ILE   A 1 110 ? 6.432  -9.486  16.724  1   40.991 ? 122 ILE   B HG12 1 c 1 
ATOM   1573 H HG13 . ILE   A 1 110 ? 7.529  -9.593  17.856  1   38.711 ? 122 ILE   B HG13 1 c 1 
ATOM   1574 H HG21 . ILE   A 1 110 ? 8.1    -7.64   19.177  1   32.982 ? 122 ILE   B HG21 1 c 1 
ATOM   1575 H HG22 . ILE   A 1 110 ? 6.867  -6.645  19.209  1   34.167 ? 122 ILE   B HG22 1 c 1 
ATOM   1576 H HG23 . ILE   A 1 110 ? 8.191  -6.245  18.431  1   34.496 ? 122 ILE   B HG23 1 c 1 
ATOM   1577 H HD11 . ILE   A 1 110 ? 5.923  -9.083  19.489  1   40.668 ? 122 ILE   B HD11 1 c 1 
ATOM   1578 H HD12 . ILE   A 1 110 ? 5.47   -10.359 18.651  1   41.746 ? 122 ILE   B HD12 1 c 1 
ATOM   1579 H HD13 . ILE   A 1 110 ? 4.811  -8.94   18.359  1   43.003 ? 122 ILE   B HD13 1 c 1 
ATOM   1580 N N    . PRO   A 1 111 ? 6.059  -4.288  17.102  1   41.425 ? 123 PRO   B N    1 ? 1 
ATOM   1581 C CA   . PRO   A 1 111 ? 6.596  -2.959  16.731  1   37.863 ? 123 PRO   B CA   1 ? 1 
ATOM   1582 C C    . PRO   A 1 111 ? 7.977  -2.761  17.326  1   36.854 ? 123 PRO   B C    1 ? 1 
ATOM   1583 O O    . PRO   A 1 111 ? 8.423  -3.553  18.147  1   35.027 ? 123 PRO   B O    1 ? 1 
ATOM   1584 C CB   . PRO   A 1 111 ? 5.538  -2.008  17.263  1   39.207 ? 123 PRO   B CB   1 ? 1 
ATOM   1585 C CG   . PRO   A 1 111 ? 4.89   -2.769  18.412  1   43.354 ? 123 PRO   B CG   1 ? 1 
ATOM   1586 C CD   . PRO   A 1 111 ? 4.967  -4.247  18.105  1   42.052 ? 123 PRO   B CD   1 ? 1 
ATOM   1587 H HA   . PRO   A 1 111 ? 6.64   -2.887  15.744  1   40.354 ? 123 PRO   B HA   1 c 1 
ATOM   1588 H HB2  . PRO   A 1 111 ? 5.947  -1.17   17.584  1   40.409 ? 123 PRO   B HB2  1 c 1 
ATOM   1589 H HB3  . PRO   A 1 111 ? 4.876  -1.793  16.566  1   42.111 ? 123 PRO   B HB3  1 c 1 
ATOM   1590 H HG2  . PRO   A 1 111 ? 5.357  -2.576  19.251  1   40.567 ? 123 PRO   B HG2  1 c 1 
ATOM   1591 H HG3  . PRO   A 1 111 ? 3.954  -2.496  18.512  1   42.91  ? 123 PRO   B HG3  1 c 1 
ATOM   1592 H HD2  . PRO   A 1 111 ? 5.198  -4.765  18.908  1   40.283 ? 123 PRO   B HD2  1 c 1 
ATOM   1593 H HD3  . PRO   A 1 111 ? 4.121  -4.578  17.729  1   42.952 ? 123 PRO   B HD3  1 c 1 
ATOM   1594 N N    . SER   A 1 112 ? 8.647  -1.694  16.917  1   34.3   ? 124 SER   B N    1 ? 1 
ATOM   1595 C CA   . SER   A 1 112 ? 9.933  -1.344  17.457  1   33.937 ? 124 SER   B CA   1 ? 1 
ATOM   1596 C C    . SER   A 1 112 ? 9.765  -1.093  18.98   1   32.18  ? 124 SER   B C    1 ? 1 
ATOM   1597 O O    . SER   A 1 112 ? 8.773  -0.488  19.381  1   32.78  ? 124 SER   B O    1 ? 1 
ATOM   1598 C CB   . SER   A 1 112 ? 10.447 -0.102  16.737  1   35.303 ? 124 SER   B CB   1 ? 1 
ATOM   1599 O OG   . SER   A 1 112 ? 11.518 0.506   17.431  1   37.457 ? 124 SER   B OG   1 ? 1 
ATOM   1600 H H    . SER   A 1 112 ? 8.282  -1.163  16.268  1   36.933 ? 124 SER   B H    1 c 1 
ATOM   1601 H HA   . SER   A 1 112 ? 10.562 -2.095  17.312  1   32.893 ? 124 SER   B HA   1 c 1 
ATOM   1602 H HB2  . SER   A 1 112 ? 10.742 -0.352  15.842  1   37.026 ? 124 SER   B HB2  1 c 1 
ATOM   1603 H HB3  . SER   A 1 112 ? 9.718  0.54    16.645  1   37.248 ? 124 SER   B HB3  1 c 1 
ATOM   1604 H HG   . SER   A 1 112 ? 11.77  1.173   17      0   30     ? 124 SER   B HG   1 c 1 
ATOM   1605 N N    . ASN   A 1 113 ? 10.735 -1.566  19.723  1   32.025 ? 125 ASN   B N    1 ? 1 
ATOM   1606 C CA   . ASN   A 1 113 ? 10.93  -1.199  21.129  1   34.587 ? 125 ASN   B CA   1 ? 1 
ATOM   1607 C C    . ASN   A 1 113 ? 9.776  -1.739  22.004  1   35.467 ? 125 ASN   B C    1 ? 1 
ATOM   1608 O O    . ASN   A 1 113 ? 9.327  -1.071  22.957  1   32.315 ? 125 ASN   B O    1 ? 1 
ATOM   1609 C CB   . ASN   A 1 113 ? 11.129 0.307   21.294  1   36.099 ? 125 ASN   B CB   1 ? 1 
ATOM   1610 C CG   . ASN   A 1 113 ? 12.475 0.716   20.745  1   37.719 ? 125 ASN   B CG   1 ? 1 
ATOM   1611 O OD1  . ASN   A 1 113 ? 13.371 -0.138  20.686  1   43.023 ? 125 ASN   B OD1  1 ? 1 
ATOM   1612 N ND2  . ASN   A 1 113 ? 12.635 1.961   20.392  1   40.909 ? 125 ASN   B ND2  1 ? 1 
ATOM   1613 H H    . ASN   A 1 113 ? 11.322 -2.157  19.349  1   32.06  ? 125 ASN   B H    1 c 1 
ATOM   1614 H HA   . ASN   A 1 113 ? 11.756 -1.636  21.436  1   33.303 ? 125 ASN   B HA   1 c 1 
ATOM   1615 H HB2  . ASN   A 1 113 ? 10.422 0.789   20.821  1   37.447 ? 125 ASN   B HB2  1 c 1 
ATOM   1616 H HB3  . ASN   A 1 113 ? 11.081 0.542   22.242  1   35.767 ? 125 ASN   B HB3  1 c 1 
ATOM   1617 H HD21 . ASN   A 1 113 ? 13.37  2.207   19.962  1   41.374 ? 125 ASN   B HD21 1 c 1 
ATOM   1618 H HD22 . ASN   A 1 113 ? 12.009 2.561   20.583  1   41.245 ? 125 ASN   B HD22 1 c 1 
ATOM   1619 N N    . ALA   A 1 114 ? 9.265  -2.921  21.655  1   31.194 ? 126 ALA   B N    1 ? 1 
ATOM   1620 C CA   . ALA   A 1 114 ? 8.135  -3.514  22.352  1   34.009 ? 126 ALA   B CA   1 ? 1 
ATOM   1621 C C    . ALA   A 1 114 ? 8.555  -4.259  23.638  1   33.529 ? 126 ALA   B C    1 ? 1 
ATOM   1622 O O    . ALA   A 1 114 ? 9.502  -5.058  23.644  1   31.999 ? 126 ALA   B O    1 ? 1 
ATOM   1623 C CB   . ALA   A 1 114 ? 7.381  -4.432  21.443  1   34.88  ? 126 ALA   B CB   1 ? 1 
ATOM   1624 H H    . ALA   A 1 114 ? 9.64   -3.382  20.961  1   32.811 ? 126 ALA   B H    1 c 1 
ATOM   1625 H HA   . ALA   A 1 114 ? 7.524  -2.773  22.618  1   34.485 ? 126 ALA   B HA   1 c 1 
ATOM   1626 H HB1  . ALA   A 1 114 ? 7.057  -3.935  20.673  1   36.099 ? 126 ALA   B HB1  1 c 1 
ATOM   1627 H HB2  . ALA   A 1 114 ? 7.967  -5.146  21.141  1   34.178 ? 126 ALA   B HB2  1 c 1 
ATOM   1628 H HB3  . ALA   A 1 114 ? 6.626  -4.816  21.919  1   34.567 ? 126 ALA   B HB3  1 c 1 
ATOM   1629 N N    . THR   A 1 115 ? 7.849  -3.951  24.73   1   32.434 ? 127 THR   B N    1 ? 1 
ATOM   1630 C CA   . THR   A 1 115 ? 7.884  -4.802  25.93   1   28.709 ? 127 THR   B CA   1 ? 1 
ATOM   1631 C C    . THR   A 1 115 ? 6.796  -5.886  25.827  1   28.134 ? 127 THR   B C    1 ? 1 
ATOM   1632 O O    . THR   A 1 115 ? 5.628  -5.616  25.522  1   31.263 ? 127 THR   B O    1 ? 1 
ATOM   1633 C CB   . THR   A 1 115 ? 7.69   -3.926  27.161  1   31.937 ? 127 THR   B CB   1 ? 1 
ATOM   1634 O OG1  . THR   A 1 115 ? 8.849  -3.07   27.208  1   30.853 ? 127 THR   B OG1  1 ? 1 
ATOM   1635 C CG2  . THR   A 1 115 ? 7.562  -4.741  28.459  1   33.83  ? 127 THR   B CG2  1 ? 1 
ATOM   1636 H H    . THR   A 1 115 ? 7.333  -3.196  24.738  1   33.063 ? 127 THR   B H    1 c 1 
ATOM   1637 H HA   . THR   A 1 115 ? 8.763  -5.231  25.985  1   28.838 ? 127 THR   B HA   1 c 1 
ATOM   1638 H HB   . THR   A 1 115 ? 6.881  -3.372  27.048  1   32.621 ? 127 THR   B HB   1 c 1 
ATOM   1639 H HG1  . THR   A 1 115 ? 9.566  -3.535  27.281  0   30     ? 127 THR   B HG1  1 c 1 
ATOM   1640 H HG21 . THR   A 1 115 ? 7.609  -4.141  29.223  1   33.338 ? 127 THR   B HG21 1 c 1 
ATOM   1641 H HG22 . THR   A 1 115 ? 8.286  -5.386  28.512  1   32.109 ? 127 THR   B HG22 1 c 1 
ATOM   1642 H HG23 . THR   A 1 115 ? 6.71   -5.208  28.469  1   33.157 ? 127 THR   B HG23 1 c 1 
ATOM   1643 N N    . LEU   A 1 116 ? 7.184  -7.112  26.198  1   29.253 ? 128 LEU   B N    1 ? 1 
ATOM   1644 C CA   . LEU   A 1 116 ? 6.343  -8.316  26.039  1   27.256 ? 128 LEU   B CA   1 ? 1 
ATOM   1645 C C    . LEU   A 1 116 ? 6.076  -8.942  27.414  1   29.262 ? 128 LEU   B C    1 ? 1 
ATOM   1646 O O    . LEU   A 1 116 ? 6.942  -8.906  28.29   1   25.628 ? 128 LEU   B O    1 ? 1 
ATOM   1647 C CB   . LEU   A 1 116 ? 7.053  -9.372  25.171  1   32.019 ? 128 LEU   B CB   1 ? 1 
ATOM   1648 C CG   . LEU   A 1 116 ? 7.569  -8.985  23.777  1   34.094 ? 128 LEU   B CG   1 ? 1 
ATOM   1649 C CD1  . LEU   A 1 116 ? 7.885  -10.25  22.928  1   34.372 ? 128 LEU   B CD1  1 ? 1 
ATOM   1650 C CD2  . LEU   A 1 116 ? 6.58   -8.164  23.147  1   33.224 ? 128 LEU   B CD2  1 ? 1 
ATOM   1651 H H    . LEU   A 1 116 ? 8.011  -7.213  26.574  1   27.556 ? 128 LEU   B H    1 c 1 
ATOM   1652 H HA   . LEU   A 1 116 ? 5.482  -8.061  25.621  1   29.933 ? 128 LEU   B HA   1 c 1 
ATOM   1653 H HB2  . LEU   A 1 116 ? 7.816  -9.719  25.688  1   30.246 ? 128 LEU   B HB2  1 c 1 
ATOM   1654 H HB3  . LEU   A 1 116 ? 6.436  -10.132 25.063  1   31.342 ? 128 LEU   B HB3  1 c 1 
ATOM   1655 H HG   . LEU   A 1 116 ? 8.402  -8.456  23.883  1   33.058 ? 128 LEU   B HG   1 c 1 
ATOM   1656 H HD11 . LEU   A 1 116 ? 8.543  -10.796 23.391  1   33.608 ? 128 LEU   B HD11 1 c 1 
ATOM   1657 H HD12 . LEU   A 1 116 ? 8.239  -9.981  22.064  1   34.828 ? 128 LEU   B HD12 1 c 1 
ATOM   1658 H HD13 . LEU   A 1 116 ? 7.072  -10.766 22.798  1   34.826 ? 128 LEU   B HD13 1 c 1 
ATOM   1659 H HD21 . LEU   A 1 116 ? 6.625  -7.264  23.507  1   33.904 ? 128 LEU   B HD21 1 c 1 
ATOM   1660 H HD22 . LEU   A 1 116 ? 5.696  -8.534  23.309  1   34.234 ? 128 LEU   B HD22 1 c 1 
ATOM   1661 H HD23 . LEU   A 1 116 ? 6.746  -8.135  22.189  1   34.528 ? 128 LEU   B HD23 1 c 1 
ATOM   1662 N N    . PHE   A 1 117 ? 4.93   -9.621  27.508  1   28.719 ? 129 PHE   B N    1 ? 1 
ATOM   1663 C CA   . PHE   A 1 117 ? 4.498  -10.314 28.725  1   28.631 ? 129 PHE   B CA   1 ? 1 
ATOM   1664 C C    . PHE   A 1 117 ? 4.138  -11.733 28.301  1   27.762 ? 129 PHE   B C    1 ? 1 
ATOM   1665 O O    . PHE   A 1 117 ? 3.463  -11.953 27.261  1   29.384 ? 129 PHE   B O    1 ? 1 
ATOM   1666 C CB   . PHE   A 1 117 ? 3.36   -9.586  29.414  1   29.249 ? 129 PHE   B CB   1 ? 1 
ATOM   1667 C CG   . PHE   A 1 117 ? 2.711  -10.465 30.472  1   34.189 ? 129 PHE   B CG   1 ? 1 
ATOM   1668 C CD1  . PHE   A 1 117 ? 1.711  -11.368 30.134  1   35.161 ? 129 PHE   B CD1  1 ? 1 
ATOM   1669 C CD2  . PHE   A 1 117 ? 3.151  -10.476 31.789  1   32.249 ? 129 PHE   B CD2  1 ? 1 
ATOM   1670 C CE1  . PHE   A 1 117 ? 1.185  -12.214 31.109  1   35.863 ? 129 PHE   B CE1  1 ? 1 
ATOM   1671 C CE2  . PHE   A 1 117 ? 2.553  -11.283 32.76   1   32.64  ? 129 PHE   B CE2  1 ? 1 
ATOM   1672 C CZ   . PHE   A 1 117 ? 1.624  -12.183 32.389  1   32.062 ? 129 PHE   B CZ   1 ? 1 
ATOM   1673 H H    . PHE   A 1 117 ? 4.383  -9.656  26.776  1   29.699 ? 129 PHE   B H    1 c 1 
ATOM   1674 H HA   . PHE   A 1 117 ? 5.265  -10.355 29.35   1   27.602 ? 129 PHE   B HA   1 c 1 
ATOM   1675 H HB2  . PHE   A 1 117 ? 3.71   -8.77   29.837  1   30.178 ? 129 PHE   B HB2  1 c 1 
ATOM   1676 H HB3  . PHE   A 1 117 ? 2.687  -9.333  28.743  1   31.213 ? 129 PHE   B HB3  1 c 1 
ATOM   1677 H HD1  . PHE   A 1 117 ? 1.413  -11.43  29.241  1   35.509 ? 129 PHE   B HD1  1 c 1 
ATOM   1678 H HD2  . PHE   A 1 117 ? 3.822  -9.865  32.051  1   31.965 ? 129 PHE   B HD2  1 c 1 
ATOM   1679 H HE1  . PHE   A 1 117 ? 0.497  -12.815 30.872  1   35.905 ? 129 PHE   B HE1  1 c 1 
ATOM   1680 H HE2  . PHE   A 1 117 ? 2.873  -11.27  33.648  1   32.31  ? 129 PHE   B HE2  1 c 1 
ATOM   1681 H HZ   . PHE   A 1 117 ? 1.216  -12.733 33.039  1   33.941 ? 129 PHE   B HZ   1 c 1 
ATOM   1682 N N    . PHE   A 1 118 ? 4.624  -12.719 29.047  1   29.04  ? 130 PHE   B N    1 ? 1 
ATOM   1683 C CA   . PHE   A 1 118 ? 4.182  -14.076 28.827  1   28.064 ? 130 PHE   B CA   1 ? 1 
ATOM   1684 C C    . PHE   A 1 118 ? 3.844  -14.764 30.147  1   30.215 ? 130 PHE   B C    1 ? 1 
ATOM   1685 O O    . PHE   A 1 118 ? 4.467  -14.502 31.2    1   32.23  ? 130 PHE   B O    1 ? 1 
ATOM   1686 C CB   . PHE   A 1 118 ? 5.253  -14.974 28.232  1   25.973 ? 130 PHE   B CB   1 ? 1 
ATOM   1687 C CG   . PHE   A 1 118 ? 5.714  -14.613 26.828  1   28.95  ? 130 PHE   B CG   1 ? 1 
ATOM   1688 C CD1  . PHE   A 1 118 ? 6.604  -13.561 26.622  1   31.366 ? 130 PHE   B CD1  1 ? 1 
ATOM   1689 C CD2  . PHE   A 1 118 ? 5.207  -15.275 25.75   1   30.841 ? 130 PHE   B CD2  1 ? 1 
ATOM   1690 C CE1  . PHE   A 1 118 ? 7.075  -13.297 25.359  1   27.591 ? 130 PHE   B CE1  1 ? 1 
ATOM   1691 C CE2  . PHE   A 1 118 ? 5.642  -14.931 24.455  1   29.937 ? 130 PHE   B CE2  1 ? 1 
ATOM   1692 C CZ   . PHE   A 1 118 ? 6.55   -13.937 24.296  1   29.898 ? 130 PHE   B CZ   1 ? 1 
ATOM   1693 H H    . PHE   A 1 118 ? 5.239  -12.547 29.701  1   27.627 ? 130 PHE   B H    1 c 1 
ATOM   1694 H HA   . PHE   A 1 118 ? 3.385  -14.077 28.238  1   29.318 ? 130 PHE   B HA   1 c 1 
ATOM   1695 H HB2  . PHE   A 1 118 ? 6.033  -14.959 28.83   1   26.295 ? 130 PHE   B HB2  1 c 1 
ATOM   1696 H HB3  . PHE   A 1 118 ? 4.911  -15.896 28.221  1   27.651 ? 130 PHE   B HB3  1 c 1 
ATOM   1697 H HD1  . PHE   A 1 118 ? 6.985  -13.121 27.365  1   28.991 ? 130 PHE   B HD1  1 c 1 
ATOM   1698 H HD2  . PHE   A 1 118 ? 4.579  -15.968 25.872  1   31.103 ? 130 PHE   B HD2  1 c 1 
ATOM   1699 H HE1  . PHE   A 1 118 ? 7.68   -12.584 25.225  1   28.379 ? 130 PHE   B HE1  1 c 1 
ATOM   1700 H HE2  . PHE   A 1 118 ? 5.308  -15.395 23.704  1   31.31  ? 130 PHE   B HE2  1 c 1 
ATOM   1701 H HZ   . PHE   A 1 118 ? 6.844  -13.712 23.428  1   29.789 ? 130 PHE   B HZ   1 c 1 
ATOM   1702 N N    . GLU   A 1 119 ? 2.847  -15.645 30.068  1   29.806 ? 131 GLU   B N    1 ? 1 
ATOM   1703 C CA   . GLU   A 1 119 ? 2.657  -16.736 31.044  1   31.551 ? 131 GLU   B CA   1 ? 1 
ATOM   1704 C C    . GLU   A 1 119 ? 3.077  -18.017 30.348  1   29.36  ? 131 GLU   B C    1 ? 1 
ATOM   1705 O O    . GLU   A 1 119 ? 2.639  -18.334 29.213  1   38.306 ? 131 GLU   B O    1 ? 1 
ATOM   1706 C CB   . GLU   A 1 119 ? 1.219  -16.822 31.519  1   31.643 ? 131 GLU   B CB   1 ? 1 
ATOM   1707 C CG   . GLU   A 1 119 ? 0.846  -17.95  32.462  1   36.492 ? 131 GLU   B CG   1 ? 1 
ATOM   1708 C CD   . GLU   A 1 119 ? -0.579 -17.97  32.952  1   36.45  ? 131 GLU   B CD   1 ? 1 
ATOM   1709 O OE1  . GLU   A 1 119 ? -0.926 -17.215 33.895  1   37.697 ? 131 GLU   B OE1  1 ? 1 
ATOM   1710 O OE2  . GLU   A 1 119 ? -1.354 -18.786 32.325  1   37.506 ? 131 GLU   B OE2  1 ? 1 
ATOM   1711 H H    . GLU   A 1 119 ? 2.249  -15.571 29.381  1   31.118 ? 131 GLU   B H    1 c 1 
ATOM   1712 H HA   . GLU   A 1 119 ? 3.247  -16.574 31.819  1   30.02  ? 131 GLU   B HA   1 c 1 
ATOM   1713 H HB2  . GLU   A 1 119 ? 0.994  -15.98  31.967  1   32.797 ? 131 GLU   B HB2  1 c 1 
ATOM   1714 H HB3  . GLU   A 1 119 ? 0.641  -16.897 30.732  1   33.542 ? 131 GLU   B HB3  1 c 1 
ATOM   1715 H HG2  . GLU   A 1 119 ? 1.024  -18.804 32.015  1   35.422 ? 131 GLU   B HG2  1 c 1 
ATOM   1716 H HG3  . GLU   A 1 119 ? 1.435  -17.91  33.245  1   34.554 ? 131 GLU   B HG3  1 c 1 
ATOM   1717 N N    . ILE   A 1 120 ? 3.976  -18.743 31.026  1   32.332 ? 132 ILE   B N    1 ? 1 
ATOM   1718 C CA   . ILE   A 1 120 ? 4.537  -19.953 30.473  1   30.131 ? 132 ILE   B CA   1 ? 1 
ATOM   1719 C C    . ILE   A 1 120 ? 4.294  -21.089 31.449  1   34.686 ? 132 ILE   B C    1 ? 1 
ATOM   1720 O O    . ILE   A 1 120 ? 4.661  -20.961 32.605  1   30.917 ? 132 ILE   B O    1 ? 1 
ATOM   1721 C CB   . ILE   A 1 120 ? 6.055  -19.815 30.212  1   30.982 ? 132 ILE   B CB   1 ? 1 
ATOM   1722 C CG1  . ILE   A 1 120 ? 6.365  -18.615 29.304  1   28.313 ? 132 ILE   B CG1  1 ? 1 
ATOM   1723 C CG2  . ILE   A 1 120 ? 6.578  -21.114 29.602  1   32.016 ? 132 ILE   B CG2  1 ? 1 
ATOM   1724 C CD1  . ILE   A 1 120 ? 7.833  -18.362 29.063  1   28.527 ? 132 ILE   B CD1  1 ? 1 
ATOM   1725 H H    . ILE   A 1 120 ? 4.242  -18.474 31.858  1   30.558 ? 132 ILE   B H    1 c 1 
ATOM   1726 H HA   . ILE   A 1 120 ? 4.091  -20.156 29.629  1   32.21  ? 132 ILE   B HA   1 c 1 
ATOM   1727 H HB   . ILE   A 1 120 ? 6.502  -19.674 31.07   1   29.932 ? 132 ILE   B HB   1 c 1 
ATOM   1728 H HG12 . ILE   A 1 120 ? 5.928  -18.758 28.44   1   29.45  ? 132 ILE   B HG12 1 c 1 
ATOM   1729 H HG13 . ILE   A 1 120 ? 5.974  -17.812 29.704  1   28.606 ? 132 ILE   B HG13 1 c 1 
ATOM   1730 H HG21 . ILE   A 1 120 ? 7.522  -21.021 29.393  1   31.398 ? 132 ILE   B HG21 1 c 1 
ATOM   1731 H HG22 . ILE   A 1 120 ? 6.086  -21.312 28.787  1   32.581 ? 132 ILE   B HG22 1 c 1 
ATOM   1732 H HG23 . ILE   A 1 120 ? 6.461  -21.844 30.233  1   32.779 ? 132 ILE   B HG23 1 c 1 
ATOM   1733 H HD11 . ILE   A 1 120 ? 8.319  -18.427 29.907  1   27.952 ? 132 ILE   B HD11 1 c 1 
ATOM   1734 H HD12 . ILE   A 1 120 ? 7.952  -17.468 28.689  1   27.581 ? 132 ILE   B HD12 1 c 1 
ATOM   1735 H HD13 . ILE   A 1 120 ? 8.183  -19.024 28.436  1   28.633 ? 132 ILE   B HD13 1 c 1 
ATOM   1736 N N    . GLU   A 1 121 ? 3.78   -22.199 30.899  1   35.901 ? 133 GLU   B N    1 ? 1 
ATOM   1737 C CA   . GLU   A 1 121 ? 3.798  -23.432 31.679  1   38.42  ? 133 GLU   B CA   1 ? 1 
ATOM   1738 C C    . GLU   A 1 121 ? 4.794  -24.399 31.054  1   36.827 ? 133 GLU   B C    1 ? 1 
ATOM   1739 O O    . GLU   A 1 121 ? 4.686  -24.692 29.837  1   42.503 ? 133 GLU   B O    1 ? 1 
ATOM   1740 C CB   . GLU   A 1 121 ? 2.415  -24.085 31.671  1   37.71  ? 133 GLU   B CB   1 ? 1 
ATOM   1741 C CG   . GLU   A 1 121 ? 2.401  -25.375 32.5    1   42.388 ? 133 GLU   B CG   1 ? 1 
ATOM   1742 C CD   . GLU   A 1 121 ? 1.084  -26.09  32.699  1   44.273 ? 133 GLU   B CD   1 ? 1 
ATOM   1743 O OE1  . GLU   A 1 121 ? 0.029  -25.478 32.412  1   47.375 ? 133 GLU   B OE1  1 ? 1 
ATOM   1744 O OE2  . GLU   A 1 121 ? 1.095  -27.27  33.184  1   41.002 ? 133 GLU   B OE2  1 ? 1 
ATOM   1745 H H    . GLU   A 1 121 ? 3.422  -22.193 30.058  1   36.499 ? 133 GLU   B H    1 c 1 
ATOM   1746 H HA   . GLU   A 1 121 ? 4.068  -23.228 32.607  1   36.968 ? 133 GLU   B HA   1 c 1 
ATOM   1747 H HB2  . GLU   A 1 121 ? 1.761  -23.452 32.034  1   38.966 ? 133 GLU   B HB2  1 c 1 
ATOM   1748 H HB3  . GLU   A 1 121 ? 2.161  -24.285 30.746  1   39.438 ? 133 GLU   B HB3  1 c 1 
ATOM   1749 H HG2  . GLU   A 1 121 ? 3.021  -26.012 32.086  1   41.767 ? 133 GLU   B HG2  1 c 1 
ATOM   1750 H HG3  . GLU   A 1 121 ? 2.766  -25.171 33.387  1   41.122 ? 133 GLU   B HG3  1 c 1 
ATOM   1751 N N    . LEU   A 1 122 ? 5.785  -24.8   31.829  1   36.36  ? 134 LEU   B N    1 ? 1 
ATOM   1752 C CA   . LEU   A 1 122 ? 6.768  -25.791 31.427  1   39.26  ? 134 LEU   B CA   1 ? 1 
ATOM   1753 C C    . LEU   A 1 122 ? 6.225  -27.212 31.592  1   41.761 ? 134 LEU   B C    1 ? 1 
ATOM   1754 O O    . LEU   A 1 122 ? 6.022  -27.699 32.708  1   41.133 ? 134 LEU   B O    1 ? 1 
ATOM   1755 C CB   . LEU   A 1 122 ? 8.079  -25.62  32.196  1   40.319 ? 134 LEU   B CB   1 ? 1 
ATOM   1756 C CG   . LEU   A 1 122 ? 9.195  -26.622 31.863  1   40.989 ? 134 LEU   B CG   1 ? 1 
ATOM   1757 C CD1  . LEU   A 1 122 ? 9.485  -26.62  30.317  1   40.146 ? 134 LEU   B CD1  1 ? 1 
ATOM   1758 C CD2  . LEU   A 1 122 ? 10.424 -26.245 32.614  1   39.735 ? 134 LEU   B CD2  1 ? 1 
ATOM   1759 H H    . LEU   A 1 122 ? 5.859  -24.436 32.665  1   36.566 ? 134 LEU   B H    1 c 1 
ATOM   1760 H HA   . LEU   A 1 122 ? 6.953  -25.649 30.464  1   38.801 ? 134 LEU   B HA   1 c 1 
ATOM   1761 H HB2  . LEU   A 1 122 ? 8.418  -24.711 32.026  1   38.327 ? 134 LEU   B HB2  1 c 1 
ATOM   1762 H HB3  . LEU   A 1 122 ? 7.88   -25.686 33.159  1   40.193 ? 134 LEU   B HB3  1 c 1 
ATOM   1763 H HG   . LEU   A 1 122 ? 8.91   -27.53  32.142  1   42.444 ? 134 LEU   B HG   1 c 1 
ATOM   1764 H HD11 . LEU   A 1 122 ? 8.765  -27.077 29.851  1   41.259 ? 134 LEU   B HD11 1 c 1 
ATOM   1765 H HD12 . LEU   A 1 122 ? 10.324 -27.078 30.144  1   41.022 ? 134 LEU   B HD12 1 c 1 
ATOM   1766 H HD13 . LEU   A 1 122 ? 9.546  -25.703 29.999  1   38.907 ? 134 LEU   B HD13 1 c 1 
ATOM   1767 H HD21 . LEU   A 1 122 ? 10.213 -26.155 33.558  1   40.056 ? 134 LEU   B HD21 1 c 1 
ATOM   1768 H HD22 . LEU   A 1 122 ? 10.764 -25.399 32.278  1   38.537 ? 134 LEU   B HD22 1 c 1 
ATOM   1769 H HD23 . LEU   A 1 122 ? 11.1   -26.934 32.498  1   40.992 ? 134 LEU   B HD23 1 c 1 
ATOM   1770 N N    . LEU   A 1 123 ? 5.972  -27.891 30.455  1   43.841 ? 135 LEU   B N    1 ? 1 
ATOM   1771 C CA   . LEU   A 1 123 ? 5.318  -29.202 30.486  1   47.354 ? 135 LEU   B CA   1 ? 1 
ATOM   1772 C C    . LEU   A 1 123 ? 6.37   -30.307 30.613  1   51.509 ? 135 LEU   B C    1 ? 1 
ATOM   1773 O O    . LEU   A 1 123 ? 6.199  -31.254 31.372  1   56.071 ? 135 LEU   B O    1 ? 1 
ATOM   1774 C CB   . LEU   A 1 123 ? 4.465  -29.407 29.238  1   47.65  ? 135 LEU   B CB   1 ? 1 
ATOM   1775 C CG   . LEU   A 1 123 ? 3.446  -28.308 28.93   1   48.732 ? 135 LEU   B CG   1 ? 1 
ATOM   1776 C CD1  . LEU   A 1 123 ? 2.887  -28.471 27.482  1   50.782 ? 135 LEU   B CD1  1 ? 1 
ATOM   1777 C CD2  . LEU   A 1 123 ? 2.354  -28.353 29.977  1   53.423 ? 135 LEU   B CD2  1 ? 1 
ATOM   1778 H H    . LEU   A 1 123 ? 6.21   -27.534 29.648  1   43.088 ? 135 LEU   B H    1 c 1 
ATOM   1779 H HA   . LEU   A 1 123 ? 4.731  -29.238 31.284  1   48.042 ? 135 LEU   B HA   1 c 1 
ATOM   1780 H HB2  . LEU   A 1 123 ? 5.07   -29.494 28.465  1   48.202 ? 135 LEU   B HB2  1 c 1 
ATOM   1781 H HB3  . LEU   A 1 123 ? 3.982  -30.26  29.333  1   50.384 ? 135 LEU   B HB3  1 c 1 
ATOM   1782 H HG   . LEU   A 1 123 ? 3.902  -27.429 28.991  1   47.173 ? 135 LEU   B HG   1 c 1 
ATOM   1783 H HD11 . LEU   A 1 123 ? 3.622  -28.631 26.866  1   50.362 ? 135 LEU   B HD11 1 c 1 
ATOM   1784 H HD12 . LEU   A 1 123 ? 2.419  -27.661 27.222  1   49.717 ? 135 LEU   B HD12 1 c 1 
ATOM   1785 H HD13 . LEU   A 1 123 ? 2.272  -29.224 27.453  1   52.544 ? 135 LEU   B HD13 1 c 1 
ATOM   1786 H HD21 . LEU   A 1 123 ? 2.72   -28.099 30.841  1   51.47  ? 135 LEU   B HD21 1 c 1 
ATOM   1787 H HD22 . LEU   A 1 123 ? 1.994  -29.254 30.032  1   54.26  ? 135 LEU   B HD22 1 c 1 
ATOM   1788 H HD23 . LEU   A 1 123 ? 1.644  -27.736 29.733  1   52.032 ? 135 LEU   B HD23 1 c 1 
ATOM   1789 N N    . ASP   A 1 124 ? 7.486  -30.171 29.891  1   48.788 ? 136 ASP   B N    1 ? 1 
ATOM   1790 C CA   . ASP   A 1 124 ? 8.505  -31.208 29.923  1   50.256 ? 136 ASP   B CA   1 ? 1 
ATOM   1791 C C    . ASP   A 1 124 ? 9.747  -30.706 29.196  1   49.341 ? 136 ASP   B C    1 ? 1 
ATOM   1792 O O    . ASP   A 1 124 ? 9.661  -29.764 28.41   1   44.922 ? 136 ASP   B O    1 ? 1 
ATOM   1793 C CB   . ASP   A 1 124 ? 8.046  -32.489 29.239  1   56.721 ? 136 ASP   B CB   1 ? 1 
ATOM   1794 C CG   . ASP   A 1 124 ? 8.684  -33.804 29.689  1   63.542 ? 136 ASP   B CG   1 ? 1 
ATOM   1795 O OD1  . ASP   A 1 124 ? 9.606  -33.8   30.544  1   61.649 ? 136 ASP   B OD1  1 ? 1 
ATOM   1796 O OD2  . ASP   A 1 124 ? 8.198  -34.845 29.217  1   72.677 ? 136 ASP   B OD2  1 ? 1 
ATOM   1797 H H    . ASP   A 1 124 ? 7.612  -29.433 29.368  1   47.699 ? 136 ASP   B H    1 c 1 
ATOM   1798 H HA   . ASP   A 1 124 ? 8.734  -31.396 30.861  1   51.351 ? 136 ASP   B HA   1 c 1 
ATOM   1799 H HB2  . ASP   A 1 124 ? 7.078  -32.582 29.357  1   57.289 ? 136 ASP   B HB2  1 c 1 
ATOM   1800 H HB3  . ASP   A 1 124 ? 8.21   -32.398 28.277  1   56.647 ? 136 ASP   B HB3  1 c 1 
ATOM   1801 N N    . PHE   A 1 125 ? 10.88  -31.37  29.471  1   52.894 ? 137 PHE   B N    1 ? 1 
ATOM   1802 C CA   . PHE   A 1 125 ? 12.102 -31.186 28.706  1   53.993 ? 137 PHE   B CA   1 ? 1 
ATOM   1803 C C    . PHE   A 1 125 ? 12.93  -32.464 28.711  1   52.662 ? 137 PHE   B C    1 ? 1 
ATOM   1804 O O    . PHE   A 1 125 ? 12.879 -33.234 29.667  1   57.598 ? 137 PHE   B O    1 ? 1 
ATOM   1805 C CB   . PHE   A 1 125 ? 12.909 -30.025 29.276  1   51.71  ? 137 PHE   B CB   1 ? 1 
ATOM   1806 C CG   . PHE   A 1 125 ? 13.258 -30.097 30.754  1   51.103 ? 137 PHE   B CG   1 ? 1 
ATOM   1807 C CD1  . PHE   A 1 125 ? 12.384 -29.581 31.715  1   52.047 ? 137 PHE   B CD1  1 ? 1 
ATOM   1808 C CD2  . PHE   A 1 125 ? 14.468 -30.63  31.17   1   52.667 ? 137 PHE   B CD2  1 ? 1 
ATOM   1809 C CE1  . PHE   A 1 125 ? 12.713 -29.604 33.05   1   49.417 ? 137 PHE   B CE1  1 ? 1 
ATOM   1810 C CE2  . PHE   A 1 125 ? 14.8   -30.644 32.523  1   55.097 ? 137 PHE   B CE2  1 ? 1 
ATOM   1811 C CZ   . PHE   A 1 125 ? 13.92  -30.13  33.457  1   54.997 ? 137 PHE   B CZ   1 ? 1 
ATOM   1812 H H    . PHE   A 1 125 ? 10.888 -31.96  30.17   1   53.812 ? 137 PHE   B H    1 c 1 
ATOM   1813 H HA   . PHE   A 1 125 ? 11.855 -30.971 27.771  1   52.589 ? 137 PHE   B HA   1 c 1 
ATOM   1814 H HB2  . PHE   A 1 125 ? 13.745 -29.955 28.764  1   51.704 ? 137 PHE   B HB2  1 c 1 
ATOM   1815 H HB3  . PHE   A 1 125 ? 12.405 -29.197 29.117  1   49.795 ? 137 PHE   B HB3  1 c 1 
ATOM   1816 H HD1  . PHE   A 1 125 ? 11.563 -29.205 31.442  1   49.942 ? 137 PHE   B HD1  1 c 1 
ATOM   1817 H HD2  . PHE   A 1 125 ? 15.077 -30.966 30.531  1   54.145 ? 137 PHE   B HD2  1 c 1 
ATOM   1818 H HE1  . PHE   A 1 125 ? 12.11  -29.259 33.689  1   50.419 ? 137 PHE   B HE1  1 c 1 
ATOM   1819 H HE2  . PHE   A 1 125 ? 15.621 -31.015 32.802  1   56.148 ? 137 PHE   B HE2  1 c 1 
ATOM   1820 H HZ   . PHE   A 1 125 ? 14.136 -30.161 34.375  1   54.229 ? 137 PHE   B HZ   1 c 1 
ATOM   1821 N N    . LYS   A 1 126 ? 13.645 -32.69  27.6    1   56.99  ? 138 LYS   B N    1 ? 1 
ATOM   1822 C CA   . LYS   A 1 126 ? 14.359 -33.939 27.322  1   59.626 ? 138 LYS   B CA   1 ? 1 
ATOM   1823 C C    . LYS   A 1 126 ? 15.711 -33.534 26.738  1   59.636 ? 138 LYS   B C    1 ? 1 
ATOM   1824 O O    . LYS   A 1 126 ? 15.793 -32.556 25.995  1   56.073 ? 138 LYS   B O    1 ? 1 
ATOM   1825 C CB   . LYS   A 1 126 ? 13.563 -34.864 26.387  1   59.571 ? 138 LYS   B CB   1 ? 1 
ATOM   1826 H H    . LYS   A 1 126 ? 13.692 -32.024 26.975  1   54.747 ? 138 LYS   B H    1 c 1 
ATOM   1827 H HA   . LYS   A 1 126 ? 14.513 -34.41  28.181  1   60.303 ? 138 LYS   B HA   1 c 1 
ATOM   1828 H HB2  . LYS   A 1 126 ? 14.212 -35.377 25.847  0   30     ? 138 LYS   B HB2  1 c 1 
ATOM   1829 H HB3  . LYS   A 1 126 ? 12.618 -34.712 26.534  0   30     ? 138 LYS   B HB3  1 c 1 
ATOM   1830 N N    . GLY   A 1 127 ? 16.772 -34.257 27.112  1   63.899 ? 139 GLY   B N    1 ? 1 
ATOM   1831 C CA   . GLY   A 1 127 ? 18.135 -33.897 26.721  1   66.766 ? 139 GLY   B CA   1 ? 1 
ATOM   1832 C C    . GLY   A 1 127 ? 18.41  -34.292 25.277  1   70.317 ? 139 GLY   B C    1 ? 1 
ATOM   1833 O O    . GLY   A 1 127 ? 18.145 -35.437 24.947  1   79.973 ? 139 GLY   B O    1 ? 1 
ATOM   1834 H H    . GLY   A 1 127 ? 16.646 -35.003 27.626  1   65.545 ? 139 GLY   B H    1 c 1 
ATOM   1835 H HA2  . GLY   A 1 127 ? 18.258 -32.927 26.828  1   64.198 ? 139 GLY   B HA2  1 c 1 
ATOM   1836 H HA3  . GLY   A 1 127 ? 18.775 -34.354 27.317  1   68.06  ? 139 GLY   B HA3  1 c 1 
ATOM   1837 N N    . GLU   A 1 128 ? 18.924 -33.374 24.436  1   74.064 ? 140 GLU   B N    1 ? 1 
ATOM   1838 C CA   . GLU   A 1 128 ? 19.333 -33.738 23.087  1   76.611 ? 140 GLU   B CA   1 ? 1 
ATOM   1839 C C    . GLU   A 1 128 ? 19.973 -35.117 23.241  1   85.405 ? 140 GLU   B C    1 ? 1 
ATOM   1840 O O    . GLU   A 1 128 ? 20.929 -35.166 24.021  1   96.038 ? 140 GLU   B O    1 ? 1 
ATOM   1841 C CB   . GLU   A 1 128 ? 20.27  -32.715 22.438  1   71.172 ? 140 GLU   B CB   1 ? 1 
ATOM   1842 O OXT  . GLU   A 1 128 ? 19.402 -36.096 22.724  1   89.85  ? 140 GLU   B OXT  1 ? 1 
ATOM   1843 H H    . GLU   A 1 128 ? 19.017 -32.508 24.712  1   70.609 ? 140 GLU   B H    1 c 1 
ATOM   1844 H HA   . GLU   A 1 128 ? 18.519 -33.826 22.528  1   76.349 ? 140 GLU   B HA   1 c 1 
ATOM   1845 H HB2  . GLU   A 1 128 ? 21.273 -32.969 22.673  0   30     ? 140 GLU   B HB2  1 c 1 
ATOM   1846 H HB3  . GLU   A 1 128 ? 19.808 -32.021 22.04   0   30     ? 140 GLU   B HB3  1 c 1 
ATOM   1847 N N    . GLY   B 1 1   ? 15.276 14.683  -6.354  1   51.352 ? 13  GLY   A N    1 ? 2 
ATOM   1848 C CA   . GLY   B 1 1   ? 16.373 14.106  -5.573  1   49.572 ? 13  GLY   A CA   1 ? 2 
ATOM   1849 C C    . GLY   B 1 1   ? 16.421 12.586  -5.712  1   49.474 ? 13  GLY   A C    1 ? 2 
ATOM   1850 O O    . GLY   B 1 1   ? 15.612 11.97   -6.407  1   46.847 ? 13  GLY   A O    1 ? 2 
ATOM   1851 H H1   . GLY   B 1 1   ? 15.266 15.583  -6.255  1   53.041 ? 13  GLY   A H1   1 c 2 
ATOM   1852 H H2   . GLY   B 1 1   ? 14.484 14.348  -6.072  1   50.08  ? 13  GLY   A H2   1 c 2 
ATOM   1853 H H3   . GLY   B 1 1   ? 15.383 14.486  -7.231  1   52.58  ? 13  GLY   A H3   1 c 2 
ATOM   1854 H HA2  . GLY   B 1 1   ? 17.223 14.486  -5.882  1   51.724 ? 13  GLY   A HA2  1 c 2 
ATOM   1855 H HA3  . GLY   B 1 1   ? 16.258 14.348  -4.624  1   49.133 ? 13  GLY   A HA3  1 c 2 
ATOM   1856 N N    . ALA   B 1 2   ? 17.404 11.999  -5.034  1   45.095 ? 14  ALA   A N    1 ? 2 
ATOM   1857 C CA   . ALA   B 1 2   ? 17.586 10.565  -5.095  1   42.518 ? 14  ALA   A CA   1 ? 2 
ATOM   1858 C C    . ALA   B 1 2   ? 16.299 9.82    -4.711  1   40.095 ? 14  ALA   A C    1 ? 2 
ATOM   1859 O O    . ALA   B 1 2   ? 15.908 8.875   -5.413  1   39.964 ? 14  ALA   A O    1 ? 2 
ATOM   1860 C CB   . ALA   B 1 2   ? 18.717 10.144  -4.192  1   42.154 ? 14  ALA   A CB   1 ? 2 
ATOM   1861 H H    . ALA   B 1 2   ? 17.972 12.501  -4.524  1   46.083 ? 14  ALA   A H    1 c 2 
ATOM   1862 H HA   . ALA   B 1 2   ? 17.814 10.323  -6.035  1   43.888 ? 14  ALA   A HA   1 c 2 
ATOM   1863 H HB1  . ALA   B 1 2   ? 19.566 10.38   -4.602  1   43.394 ? 14  ALA   A HB1  1 c 2 
ATOM   1864 H HB2  . ALA   B 1 2   ? 18.642 10.593  -3.335  1   41.493 ? 14  ALA   A HB2  1 c 2 
ATOM   1865 H HB3  . ALA   B 1 2   ? 18.685 9.182   -4.054  1   40.364 ? 14  ALA   A HB3  1 c 2 
ATOM   1866 N N    . PRO   B 1 3   ? 15.595 10.196  -3.637  1   37.496 ? 15  PRO   A N    1 ? 2 
ATOM   1867 C CA   . PRO   B 1 3   ? 14.357 9.517   -3.274  1   36.685 ? 15  PRO   A CA   1 ? 2 
ATOM   1868 C C    . PRO   B 1 3   ? 13.312 9.542   -4.402  1   40.029 ? 15  PRO   A C    1 ? 2 
ATOM   1869 O O    . PRO   B 1 3   ? 12.741 8.493   -4.76   1   39.219 ? 15  PRO   A O    1 ? 2 
ATOM   1870 C CB   . PRO   B 1 3   ? 13.911 10.145  -1.993  1   38.019 ? 15  PRO   A CB   1 ? 2 
ATOM   1871 C CG   . PRO   B 1 3   ? 15.24  10.68   -1.396  1   39.449 ? 15  PRO   A CG   1 ? 2 
ATOM   1872 C CD   . PRO   B 1 3   ? 15.987 11.181  -2.616  1   43.082 ? 15  PRO   A CD   1 ? 2 
ATOM   1873 H HA   . PRO   B 1 3   ? 14.591 8.573   -3.089  1   35.903 ? 15  PRO   A HA   1 c 2 
ATOM   1874 H HB2  . PRO   B 1 3   ? 13.274 10.879  -2.16   1   38.917 ? 15  PRO   A HB2  1 c 2 
ATOM   1875 H HB3  . PRO   B 1 3   ? 13.496 9.478   -1.397  1   36.35  ? 15  PRO   A HB3  1 c 2 
ATOM   1876 H HG2  . PRO   B 1 3   ? 15.074 11.408  -0.761  1   40.019 ? 15  PRO   A HG2  1 c 2 
ATOM   1877 H HG3  . PRO   B 1 3   ? 15.738 9.967   -0.946  1   38.251 ? 15  PRO   A HG3  1 c 2 
ATOM   1878 H HD2  . PRO   B 1 3   ? 15.699 12.087  -2.863  1   43.077 ? 15  PRO   A HD2  1 c 2 
ATOM   1879 H HD3  . PRO   B 1 3   ? 16.954 11.177  -2.46   1   41.632 ? 15  PRO   A HD3  1 c 2 
ATOM   1880 N N    . ALA   B 1 4   ? 13.141 10.695  -5.041  1   42.05  ? 16  ALA   A N    1 ? 2 
ATOM   1881 C CA   . ALA   B 1 4   ? 12.144 10.786  -6.096  1   42.462 ? 16  ALA   A CA   1 ? 2 
ATOM   1882 C C    . ALA   B 1 4   ? 12.535 9.925   -7.292  1   45.884 ? 16  ALA   A C    1 ? 2 
ATOM   1883 O O    . ALA   B 1 4   ? 11.668 9.399   -7.997  1   45.499 ? 16  ALA   A O    1 ? 2 
ATOM   1884 C CB   . ALA   B 1 4   ? 11.976 12.236  -6.527  1   47.233 ? 16  ALA   A CB   1 ? 2 
ATOM   1885 H H    . ALA   B 1 4   ? 13.639 11.43   -4.822  1   42.566 ? 16  ALA   A H    1 c 2 
ATOM   1886 H HA   . ALA   B 1 4   ? 11.276 10.449  -5.738  1   42.694 ? 16  ALA   A HA   1 c 2 
ATOM   1887 H HB1  . ALA   B 1 4   ? 11.684 12.771  -5.77   1   46.326 ? 16  ALA   A HB1  1 c 2 
ATOM   1888 H HB2  . ALA   B 1 4   ? 12.824 12.58   -6.855  1   47.704 ? 16  ALA   A HB2  1 c 2 
ATOM   1889 H HB3  . ALA   B 1 4   ? 11.312 12.292  -7.235  1   48.07  ? 16  ALA   A HB3  1 c 2 
ATOM   1890 N N    . THR   B 1 5   ? 13.839 9.825   -7.579  1   43.873 ? 17  THR   A N    1 ? 2 
ATOM   1891 C CA   . THR   B 1 5   ? 14.279 9.014   -8.68   1   44.431 ? 17  THR   A CA   1 ? 2 
ATOM   1892 C C    . THR   B 1 5   ? 13.912 7.555   -8.37   1   42.837 ? 17  THR   A C    1 ? 2 
ATOM   1893 O O    . THR   B 1 5   ? 13.575 6.805   -9.286  1   41.956 ? 17  THR   A O    1 ? 2 
ATOM   1894 C CB   . THR   B 1 5   ? 15.779 9.163   -8.957  1   46.081 ? 17  THR   A CB   1 ? 2 
ATOM   1895 O OG1  . THR   B 1 5   ? 16.064 10.519  -9.292  1   48.863 ? 17  THR   A OG1  1 ? 2 
ATOM   1896 C CG2  . THR   B 1 5   ? 16.222 8.266   -10.105 1   48.224 ? 17  THR   A CG2  1 ? 2 
ATOM   1897 H H    . THR   B 1 5   ? 14.458 10.278  -7.081  1   44.08  ? 17  THR   A H    1 c 2 
ATOM   1898 H HA   . THR   B 1 5   ? 13.789 9.295   -9.484  1   46.752 ? 17  THR   A HA   1 c 2 
ATOM   1899 H HB   . THR   B 1 5   ? 16.286 8.916   -8.147  1   44.374 ? 17  THR   A HB   1 c 2 
ATOM   1900 H HG1  . THR   B 1 5   ? 15.618 10.752  -9.977  0   30     ? 17  THR   A HG1  1 c 2 
ATOM   1901 H HG21 . THR   B 1 5   ? 17.072 8.584   -10.455 1   49.452 ? 17  THR   A HG21 1 c 2 
ATOM   1902 H HG22 . THR   B 1 5   ? 15.554 8.288   -10.811 1   49.417 ? 17  THR   A HG22 1 c 2 
ATOM   1903 H HG23 . THR   B 1 5   ? 16.326 7.354   -9.786  1   46.275 ? 17  THR   A HG23 1 c 2 
ATOM   1904 N N    . VAL   B 1 6   ? 14.046 7.127   -7.114  1   38.484 ? 18  VAL   A N    1 ? 2 
ATOM   1905 C CA   . VAL   B 1 6   ? 13.69  5.754   -6.777  1   35.188 ? 18  VAL   A CA   1 ? 2 
ATOM   1906 C C    . VAL   B 1 6   ? 12.181 5.54    -6.922  1   36.138 ? 18  VAL   A C    1 ? 2 
ATOM   1907 O O    . VAL   B 1 6   ? 11.777 4.549   -7.498  1   38.675 ? 18  VAL   A O    1 ? 2 
ATOM   1908 C CB   . VAL   B 1 6   ? 14.149 5.274   -5.395  1   31.107 ? 18  VAL   A CB   1 ? 2 
ATOM   1909 C CG1  . VAL   B 1 6   ? 13.883 3.791   -5.214  1   29.5   ? 18  VAL   A CG1  1 ? 2 
ATOM   1910 C CG2  . VAL   B 1 6   ? 15.613 5.559   -5.151  1   29.99  ? 18  VAL   A CG2  1 ? 2 
ATOM   1911 H H    . VAL   B 1 6   ? 14.358 7.686   -6.462  1   37.969 ? 18  VAL   A H    1 c 2 
ATOM   1912 H HA   . VAL   B 1 6   ? 14.126 5.178   -7.434  1   35.94  ? 18  VAL   A HA   1 c 2 
ATOM   1913 H HB   . VAL   B 1 6   ? 13.622 5.767   -4.723  1   30.595 ? 18  VAL   A HB   1 c 2 
ATOM   1914 H HG11 . VAL   B 1 6   ? 14.204 3.306   -5.992  1   30.461 ? 18  VAL   A HG11 1 c 2 
ATOM   1915 H HG12 . VAL   B 1 6   ? 12.928 3.642   -5.111  1   29.563 ? 18  VAL   A HG12 1 c 2 
ATOM   1916 H HG13 . VAL   B 1 6   ? 14.345 3.472   -4.42   1   28.35  ? 18  VAL   A HG13 1 c 2 
ATOM   1917 H HG21 . VAL   B 1 6   ? 15.909 5.087   -4.354  1   28.937 ? 18  VAL   A HG21 1 c 2 
ATOM   1918 H HG22 . VAL   B 1 6   ? 15.742 6.512   -5.025  1   31.057 ? 18  VAL   A HG22 1 c 2 
ATOM   1919 H HG23 . VAL   B 1 6   ? 16.134 5.26    -5.915  1   31.277 ? 18  VAL   A HG23 1 c 2 
ATOM   1920 N N    . THR   B 1 7   ? 11.356 6.511   -6.526  1   41.099 ? 19  THR   A N    1 ? 2 
ATOM   1921 C CA   . THR   B 1 7   ? 9.916  6.447   -6.79   1   42.786 ? 19  THR   A CA   1 ? 2 
ATOM   1922 C C    . THR   B 1 7   ? 9.663  6.254   -8.283  1   45.679 ? 19  THR   A C    1 ? 2 
ATOM   1923 O O    . THR   B 1 7   ? 8.918  5.356   -8.657  1   45.544 ? 19  THR   A O    1 ? 2 
ATOM   1924 C CB   . THR   B 1 7   ? 9.24   7.727   -6.33   1   43.54  ? 19  THR   A CB   1 ? 2 
ATOM   1925 O OG1  . THR   B 1 7   ? 9.427  7.777   -4.938  1   38.456 ? 19  THR   A OG1  1 ? 2 
ATOM   1926 C CG2  . THR   B 1 7   ? 7.746  7.743   -6.586  1   45.581 ? 19  THR   A CG2  1 ? 2 
ATOM   1927 H H    . THR   B 1 7   ? 11.692 7.231   -6.074  1   39.835 ? 19  THR   A H    1 c 2 
ATOM   1928 H HA   . THR   B 1 7   ? 9.536  5.688   -6.296  1   41.544 ? 19  THR   A HA   1 c 2 
ATOM   1929 H HB   . THR   B 1 7   ? 9.663  8.512   -6.752  1   44.277 ? 19  THR   A HB   1 c 2 
ATOM   1930 H HG1  . THR   B 1 7   ? 9.037  7.094   -4.578  0   30     ? 19  THR   A HG1  1 c 2 
ATOM   1931 H HG21 . THR   B 1 7   ? 7.327  8.414   -6.021  1   45.421 ? 19  THR   A HG21 1 c 2 
ATOM   1932 H HG22 . THR   B 1 7   ? 7.372  6.869   -6.382  1   44.608 ? 19  THR   A HG22 1 c 2 
ATOM   1933 H HG23 . THR   B 1 7   ? 7.577  7.957   -7.52   1   47.307 ? 19  THR   A HG23 1 c 2 
ATOM   1934 N N    . GLU   B 1 8   ? 10.373 7.029   -9.12   1   47.803 ? 20  GLU   A N    1 ? 2 
ATOM   1935 C CA   . GLU   B 1 8   ? 10.168 7.024   -10.575 1   51.33  ? 20  GLU   A CA   1 ? 2 
ATOM   1936 C C    . GLU   B 1 8   ? 10.775 5.786   -11.281 1   51.29  ? 20  GLU   A C    1 ? 2 
ATOM   1937 O O    . GLU   B 1 8   ? 10.299 5.377   -12.351 1   57.588 ? 20  GLU   A O    1 ? 2 
ATOM   1938 C CB   . GLU   B 1 8   ? 10.728 8.336   -11.151 1   56.08  ? 20  GLU   A CB   1 ? 2 
ATOM   1939 H H    . GLU   B 1 8   ? 11.011 7.584   -8.772  1   47.402 ? 20  GLU   A H    1 c 2 
ATOM   1940 H HA   . GLU   B 1 8   ? 9.192  7.022   -10.741 1   52.58  ? 20  GLU   A HA   1 c 2 
ATOM   1941 H HB2  . GLU   B 1 8   ? 11.718 8.276   -11.148 0   30     ? 20  GLU   A HB2  1 c 2 
ATOM   1942 H HB3  . GLU   B 1 8   ? 9.999  8.913   -11.439 0   30     ? 20  GLU   A HB3  1 c 2 
ATOM   1943 N N    . GLN   B 1 9   ? 11.945 5.288   -10.847 1   45.316 ? 21  GLN   A N    1 ? 2 
ATOM   1944 C CA   . GLN   B 1 9   ? 12.69  4.317   -11.646 1   49.495 ? 21  GLN   A CA   1 ? 2 
ATOM   1945 C C    . GLN   B 1 9   ? 12.993 3.027   -10.882 1   43.306 ? 21  GLN   A C    1 ? 2 
ATOM   1946 O O    . GLN   B 1 9   ? 13.504 2.076   -11.458 1   46.938 ? 21  GLN   A O    1 ? 2 
ATOM   1947 C CB   . GLN   B 1 9   ? 13.998 4.861   -12.244 1   51.346 ? 21  GLN   A CB   1 ? 2 
ATOM   1948 H H    . GLN   B 1 9   ? 12.297 5.577   -10.054 1   45.307 ? 21  GLN   A H    1 c 2 
ATOM   1949 H HA   . GLN   B 1 9   ? 12.122 4.068   -12.417 1   50.091 ? 21  GLN   A HA   1 c 2 
ATOM   1950 H HB2  . GLN   B 1 9   ? 14.739 4.46    -11.798 0   30     ? 21  GLN   A HB2  1 c 2 
ATOM   1951 H HB3  . GLN   B 1 9   ? 13.75  5.525   -12.953 0   30     ? 21  GLN   A HB3  1 c 2 
ATOM   1952 N N    . GLY   B 1 10  ? 12.756 2.996   -9.575  1   39.686 ? 22  GLY   A N    1 ? 2 
ATOM   1953 C CA   . GLY   B 1 10  ? 13.135 1.854   -8.77   1   38.83  ? 22  GLY   A CA   1 ? 2 
ATOM   1954 C C    . GLY   B 1 10  ? 12.316 0.61    -9.101  1   39.354 ? 22  GLY   A C    1 ? 2 
ATOM   1955 O O    . GLY   B 1 10  ? 11.122 0.741   -9.386  1   39.831 ? 22  GLY   A O    1 ? 2 
ATOM   1956 H H    . GLY   B 1 10  ? 12.34  3.7     -9.169  1   39.887 ? 22  GLY   A H    1 c 2 
ATOM   1957 H HA2  . GLY   B 1 10  ? 14.092 1.667   -8.913  1   38.464 ? 22  GLY   A HA2  1 c 2 
ATOM   1958 H HA3  . GLY   B 1 10  ? 13.012 2.081   -7.818  1   36.85  ? 22  GLY   A HA3  1 c 2 
ATOM   1959 N N    . GLU   B 1 11  ? 12.989 -0.529  -8.942  1   34.062 ? 23  GLU   A N    1 ? 2 
ATOM   1960 C CA   . GLU   B 1 11  ? 12.418 -1.861  -9.09   1   37.407 ? 23  GLU   A CA   1 ? 2 
ATOM   1961 C C    . GLU   B 1 11  ? 11.746 -2.219  -7.761  1   33.719 ? 23  GLU   A C    1 ? 2 
ATOM   1962 O O    . GLU   B 1 11  ? 12.302 -2.009  -6.701  1   30.708 ? 23  GLU   A O    1 ? 2 
ATOM   1963 C CB   . GLU   B 1 11  ? 13.454 -2.818  -9.702  1   40.513 ? 23  GLU   A CB   1 ? 2 
ATOM   1964 H H    . GLU   B 1 11  ? 13.873 -0.471  -8.717  1   35.088 ? 23  GLU   A H    1 c 2 
ATOM   1965 H HA   . GLU   B 1 11  ? 11.699 -1.792  -9.768  1   38.552 ? 23  GLU   A HA   1 c 2 
ATOM   1966 H HB2  . GLU   B 1 11  ? 14.364 -2.451  -9.479  0   30     ? 23  GLU   A HB2  1 c 2 
ATOM   1967 H HB3  . GLU   B 1 11  ? 13.016 -3.524  -10.172 0   30     ? 23  GLU   A HB3  1 c 2 
ATOM   1968 N N    . ASP   B 1 12  ? 10.526 -2.74   -7.869  1   35.002 ? 24  ASP   A N    1 ? 2 
ATOM   1969 C CA   . ASP   B 1 12  ? 9.806  -3.282  -6.739  1   30.745 ? 24  ASP   A CA   1 ? 2 
ATOM   1970 C C    . ASP   B 1 12  ? 10.298 -4.673  -6.384  1   31.65  ? 24  ASP   A C    1 ? 2 
ATOM   1971 O O    . ASP   B 1 12  ? 10.018 -5.627  -7.12   1   35.683 ? 24  ASP   A O    1 ? 2 
ATOM   1972 C CB   . ASP   B 1 12  ? 8.314  -3.313  -7.042  1   34.179 ? 24  ASP   A CB   1 ? 2 
ATOM   1973 C CG   . ASP   B 1 12  ? 7.419  -3.738  -5.871  1   32.694 ? 24  ASP   A CG   1 ? 2 
ATOM   1974 O OD1  . ASP   B 1 12  ? 7.971  -4.139  -4.824  1   31.489 ? 24  ASP   A OD1  1 ? 2 
ATOM   1975 O OD2  . ASP   B 1 12  ? 6.162  -3.745  -6.058  1   35.367 ? 24  ASP   A OD2  1 ? 2 
ATOM   1976 H H    . ASP   B 1 12  ? 10.123 -2.759  -8.689  1   35.96  ? 24  ASP   A H    1 c 2 
ATOM   1977 H HA   . ASP   B 1 12  ? 9.946  -2.689  -5.968  1   30.401 ? 24  ASP   A HA   1 c 2 
ATOM   1978 H HB2  . ASP   B 1 12  ? 8.035  -2.417  -7.326  1   33.986 ? 24  ASP   A HB2  1 c 2 
ATOM   1979 H HB3  . ASP   B 1 12  ? 8.153  -3.926  -7.789  1   35.29  ? 24  ASP   A HB3  1 c 2 
ATOM   1980 N N    . ILE   B 1 13  ? 11.017 -4.778  -5.267  1   30.705 ? 25  ILE   A N    1 ? 2 
ATOM   1981 C CA   . ILE   B 1 13  ? 11.646 -6.049  -4.927  1   32.859 ? 25  ILE   A CA   1 ? 2 
ATOM   1982 C C    . ILE   B 1 13  ? 10.854 -6.766  -3.83   1   35.658 ? 25  ILE   A C    1 ? 2 
ATOM   1983 O O    . ILE   B 1 13  ? 11.373 -7.772  -3.324  1   39.246 ? 25  ILE   A O    1 ? 2 
ATOM   1984 C CB   . ILE   B 1 13  ? 13.128 -5.866  -4.51   1   30.099 ? 25  ILE   A CB   1 ? 2 
ATOM   1985 C CG1  . ILE   B 1 13  ? 13.295 -5.026  -3.311  1   29.046 ? 25  ILE   A CG1  1 ? 2 
ATOM   1986 C CG2  . ILE   B 1 13  ? 13.977 -5.407  -5.703  1   31.71  ? 25  ILE   A CG2  1 ? 2 
ATOM   1987 C CD1  . ILE   B 1 13  ? 14.715 -4.986  -2.716  1   29.358 ? 25  ILE   A CD1  1 ? 2 
ATOM   1988 H H    . ILE   B 1 13  ? 11.112 -4.062  -4.707  1   29.74  ? 25  ILE   A H    1 c 2 
ATOM   1989 H HA   . ILE   B 1 13  ? 11.633 -6.614  -5.723  1   34.102 ? 25  ILE   A HA   1 c 2 
ATOM   1990 H HB   . ILE   B 1 13  ? 13.456 -6.755  -4.267  1   30.884 ? 25  ILE   A HB   1 c 2 
ATOM   1991 H HG12 . ILE   B 1 13  ? 13.031 -4.111  -3.537  1   28.994 ? 25  ILE   A HG12 1 c 2 
ATOM   1992 H HG13 . ILE   B 1 13  ? 12.682 -5.346  -2.619  1   28.932 ? 25  ILE   A HG13 1 c 2 
ATOM   1993 H HG21 . ILE   B 1 13  ? 14.92  -5.469  -5.476  1   31     ? 25  ILE   A HG21 1 c 2 
ATOM   1994 H HG22 . ILE   B 1 13  ? 13.759 -4.486  -5.923  1   31.423 ? 25  ILE   A HG22 1 c 2 
ATOM   1995 H HG23 . ILE   B 1 13  ? 13.794 -5.974  -6.471  1   33.014 ? 25  ILE   A HG23 1 c 2 
ATOM   1996 H HD11 . ILE   B 1 13  ? 15.048 -5.896  -2.608  1   29.291 ? 25  ILE   A HD11 1 c 2 
ATOM   1997 H HD12 . ILE   B 1 13  ? 14.693 -4.543  -1.847  1   27.975 ? 25  ILE   A HD12 1 c 2 
ATOM   1998 H HD13 . ILE   B 1 13  ? 15.307 -4.493  -3.315  1   29.176 ? 25  ILE   A HD13 1 c 2 
ATOM   1999 N N    . THR   B 1 14  ? 9.617  -6.326  -3.526  1   34.833 ? 26  THR   A N    1 ? 2 
ATOM   2000 C CA   . THR   B 1 14  ? 8.714  -7.06   -2.645  1   33.017 ? 26  THR   A CA   1 ? 2 
ATOM   2001 C C    . THR   B 1 14  ? 8.12   -8.277  -3.363  1   36.616 ? 26  THR   A C    1 ? 2 
ATOM   2002 O O    . THR   B 1 14  ? 7.864  -8.285  -4.592  1   36.399 ? 26  THR   A O    1 ? 2 
ATOM   2003 C CB   . THR   B 1 14  ? 7.611  -6.193  -2.016  1   32.66  ? 26  THR   A CB   1 ? 2 
ATOM   2004 O OG1  . THR   B 1 14  ? 6.728  -5.78   -3.064  1   33.015 ? 26  THR   A OG1  1 ? 2 
ATOM   2005 C CG2  . THR   B 1 14  ? 8.24   -5.034  -1.246  1   30.585 ? 26  THR   A CG2  1 ? 2 
ATOM   2006 H H    . THR   B 1 14  ? 9.326  -5.536  -3.881  1   34.442 ? 26  THR   A H    1 c 2 
ATOM   2007 H HA   . THR   B 1 14  ? 9.261  -7.399  -1.905  1   32.959 ? 26  THR   A HA   1 c 2 
ATOM   2008 H HB   . THR   B 1 14  ? 7.103  -6.744  -1.373  1   33.126 ? 26  THR   A HB   1 c 2 
ATOM   2009 H HG1  . THR   B 1 14  ? 7.171  -5.327  -3.652  0   30     ? 26  THR   A HG1  1 c 2 
ATOM   2010 H HG21 . THR   B 1 14  ? 7.544  -4.523  -0.801  1   30.636 ? 26  THR   A HG21 1 c 2 
ATOM   2011 H HG22 . THR   B 1 14  ? 8.721  -4.458  -1.863  1   30.193 ? 26  THR   A HG22 1 c 2 
ATOM   2012 H HG23 . THR   B 1 14  ? 8.858  -5.383  -0.582  1   29.777 ? 26  THR   A HG23 1 c 2 
ATOM   2013 N N    . SER   B 1 15  ? 7.867  -9.329  -2.577  1   40.521 ? 27  SER   A N    1 ? 2 
ATOM   2014 C CA   . SER   B 1 15  ? 7.14   -10.491 -3.089  1   44.019 ? 27  SER   A CA   1 ? 2 
ATOM   2015 C C    . SER   B 1 15  ? 5.695  -10.136 -3.373  1   44.692 ? 27  SER   A C    1 ? 2 
ATOM   2016 O O    . SER   B 1 15  ? 5.128  -10.614 -4.372  1   47.655 ? 27  SER   A O    1 ? 2 
ATOM   2017 C CB   . SER   B 1 15  ? 7.231  -11.693 -2.149  1   46.691 ? 27  SER   A CB   1 ? 2 
ATOM   2018 O OG   . SER   B 1 15  ? 8.615  -11.948 -1.863  1   52.698 ? 27  SER   A OG   1 ? 2 
ATOM   2019 H H    . SER   B 1 15  ? 8.148  -9.328  -1.707  1   38.804 ? 27  SER   A H    1 c 2 
ATOM   2020 H HA   . SER   B 1 15  ? 7.558  -10.75  -3.949  1   44.652 ? 27  SER   A HA   1 c 2 
ATOM   2021 H HB2  . SER   B 1 15  ? 6.751  -11.501 -1.321  1   47.607 ? 27  SER   A HB2  1 c 2 
ATOM   2022 H HB3  . SER   B 1 15  ? 6.83   -12.475 -2.573  1   49.987 ? 27  SER   A HB3  1 c 2 
ATOM   2023 H HG   . SER   B 1 15  ? 8.635  -12.596 -1.235  0   30     ? 27  SER   A HG   1 c 2 
ATOM   2024 N N    . LYS   B 1 16  ? 5.091  -9.298  -2.528  1   40.085 ? 28  LYS   A N    1 ? 2 
ATOM   2025 C CA   . LYS   B 1 16  ? 3.704  -8.889  -2.746  1   46.7   ? 28  LYS   A CA   1 ? 2 
ATOM   2026 C C    . LYS   B 1 16  ? 3.496  -7.889  -3.88   1   45.368 ? 28  LYS   A C    1 ? 2 
ATOM   2027 O O    . LYS   B 1 16  ? 2.363  -7.657  -4.255  1   45.067 ? 28  LYS   A O    1 ? 2 
ATOM   2028 C CB   . LYS   B 1 16  ? 3.078  -8.194  -1.539  1   48.779 ? 28  LYS   A CB   1 ? 2 
ATOM   2029 C CG   . LYS   B 1 16  ? 2.89   -9.017  -0.259  1   55.924 ? 28  LYS   A CG   1 ? 2 
ATOM   2030 C CD   . LYS   B 1 16  ? 2.188  -8.109  0.756   1   63.672 ? 28  LYS   A CD   1 ? 2 
ATOM   2031 C CE   . LYS   B 1 16  ? 2.516  -8.303  2.211   1   62.458 ? 28  LYS   A CE   1 ? 2 
ATOM   2032 N NZ   . LYS   B 1 16  ? 1.909  -9.546  2.694   1   69.304 ? 28  LYS   A NZ   1 ? 2 
ATOM   2033 H H    . LYS   B 1 16  ? 5.54   -8.979  -1.799  1   40.304 ? 28  LYS   A H    1 c 2 
ATOM   2034 H HA   . LYS   B 1 16  ? 3.17   -9.7    -2.945  1   48.034 ? 28  LYS   A HA   1 c 2 
ATOM   2035 H HB2  . LYS   B 1 16  ? 3.637  -7.418  -1.318  1   47.463 ? 28  LYS   A HB2  1 c 2 
ATOM   2036 H HB3  . LYS   B 1 16  ? 2.198  -7.852  -1.804  1   50.743 ? 28  LYS   A HB3  1 c 2 
ATOM   2037 H HG2  . LYS   B 1 16  ? 2.336  -9.805  -0.449  1   58.09  ? 28  LYS   A HG2  1 c 2 
ATOM   2038 H HG3  . LYS   B 1 16  ? 3.763  -9.303  0.087   1   54.649 ? 28  LYS   A HG3  1 c 2 
ATOM   2039 H HD2  . LYS   B 1 16  ? 2.383  -7.177  0.52    1   59.848 ? 28  LYS   A HD2  1 c 2 
ATOM   2040 H HD3  . LYS   B 1 16  ? 1.22   -8.226  0.641   1   63.516 ? 28  LYS   A HD3  1 c 2 
ATOM   2041 H HE2  . LYS   B 1 16  ? 3.481  -8.349  2.33    1   61.877 ? 28  LYS   A HE2  1 c 2 
ATOM   2042 H HE3  . LYS   B 1 16  ? 2.173  -7.554  2.731   1   63.117 ? 28  LYS   A HE3  1 c 2 
ATOM   2043 H HZ1  . LYS   B 1 16  ? 2.225  -10.249 2.218   1   68.429 ? 28  LYS   A HZ1  1 c 2 
ATOM   2044 H HZ2  . LYS   B 1 16  ? 1.008  -9.505  2.602   1   69.633 ? 28  LYS   A HZ2  1 c 2 
ATOM   2045 H HZ3  . LYS   B 1 16  ? 2.112  -9.664  3.569   1   67.76  ? 28  LYS   A HZ3  1 c 2 
ATOM   2046 N N    . LYS   B 1 17  ? 4.57   -7.303  -4.425  1   43.531 ? 29  LYS   A N    1 ? 2 
ATOM   2047 C CA   . LYS   B 1 17  ? 4.447  -6.292  -5.466  1   44.748 ? 29  LYS   A CA   1 ? 2 
ATOM   2048 C C    . LYS   B 1 17  ? 3.584  -5.122  -4.969  1   43.231 ? 29  LYS   A C    1 ? 2 
ATOM   2049 O O    . LYS   B 1 17  ? 2.697  -4.629  -5.663  1   40.379 ? 29  LYS   A O    1 ? 2 
ATOM   2050 C CB   . LYS   B 1 17  ? 4.079  -6.986  -6.787  1   49.912 ? 29  LYS   A CB   1 ? 2 
ATOM   2051 C CG   . LYS   B 1 17  ? 5.113  -8.032  -7.253  1   50.81  ? 29  LYS   A CG   1 ? 2 
ATOM   2052 C CD   . LYS   B 1 17  ? 6.535  -7.496  -7.439  1   54.128 ? 29  LYS   A CD   1 ? 2 
ATOM   2053 C CE   . LYS   B 1 17  ? 6.968  -7.242  -8.856  1   62.576 ? 29  LYS   A CE   1 ? 2 
ATOM   2054 N NZ   . LYS   B 1 17  ? 7.452  -8.415  -9.58   1   59.4   ? 29  LYS   A NZ   1 ? 2 
ATOM   2055 H H    . LYS   B 1 17  ? 5.406  -7.532  -4.134  1   42.375 ? 29  LYS   A H    1 c 2 
ATOM   2056 H HA   . LYS   B 1 17  ? 5.35   -5.923  -5.605  1   43.355 ? 29  LYS   A HA   1 c 2 
ATOM   2057 H HB2  . LYS   B 1 17  ? 3.21   -7.428  -6.686  1   51.248 ? 29  LYS   A HB2  1 c 2 
ATOM   2058 H HB3  . LYS   B 1 17  ? 3.989  -6.305  -7.487  1   50.169 ? 29  LYS   A HB3  1 c 2 
ATOM   2059 H HG2  . LYS   B 1 17  ? 5.133  -8.761  -6.596  1   51.596 ? 29  LYS   A HG2  1 c 2 
ATOM   2060 H HG3  . LYS   B 1 17  ? 4.804  -8.412  -8.104  1   54.155 ? 29  LYS   A HG3  1 c 2 
ATOM   2061 H HD2  . LYS   B 1 17  ? 6.628  -6.661  -6.934  1   52.263 ? 29  LYS   A HD2  1 c 2 
ATOM   2062 H HD3  . LYS   B 1 17  ? 7.156  -8.141  -7.038  1   53.267 ? 29  LYS   A HD3  1 c 2 
ATOM   2063 H HE2  . LYS   B 1 17  ? 6.216  -6.866  -9.348  1   61.193 ? 29  LYS   A HE2  1 c 2 
ATOM   2064 H HE3  . LYS   B 1 17  ? 7.675  -6.572  -8.849  1   58.233 ? 29  LYS   A HE3  1 c 2 
ATOM   2065 H HZ1  . LYS   B 1 17  ? 6.814  -9.057  -9.584  1   62.408 ? 29  LYS   A HZ1  1 c 2 
ATOM   2066 H HZ2  . LYS   B 1 17  ? 8.197  -8.737  -9.178  1   59.62  ? 29  LYS   A HZ2  1 c 2 
ATOM   2067 H HZ3  . LYS   B 1 17  ? 7.65   -8.187  -10.434 1   62.136 ? 29  LYS   A HZ3  1 c 2 
ATOM   2068 N N    . ASP   B 1 18  ? 3.897  -4.647  -3.761  1   38.821 ? 30  ASP   A N    1 ? 2 
ATOM   2069 C CA   . ASP   B 1 18  ? 3.184  -3.548  -3.151  1   39.606 ? 30  ASP   A CA   1 ? 2 
ATOM   2070 C C    . ASP   B 1 18  ? 4.016  -2.269  -3.128  1   35.059 ? 30  ASP   A C    1 ? 2 
ATOM   2071 O O    . ASP   B 1 18  ? 3.627  -1.315  -2.428  1   34.289 ? 30  ASP   A O    1 ? 2 
ATOM   2072 C CB   . ASP   B 1 18  ? 2.713  -3.911  -1.749  1   39.08  ? 30  ASP   A CB   1 ? 2 
ATOM   2073 C CG   . ASP   B 1 18  ? 3.82   -4.309  -0.777  1   37.548 ? 30  ASP   A CG   1 ? 2 
ATOM   2074 O OD1  . ASP   B 1 18  ? 4.993  -3.995  -1.061  1   33.092 ? 30  ASP   A OD1  1 ? 2 
ATOM   2075 O OD2  . ASP   B 1 18  ? 3.519  -4.944  0.22    1   39.137 ? 30  ASP   A OD2  1 ? 2 
ATOM   2076 H H    . ASP   B 1 18  ? 4.595  -5.021  -3.305  1   38.335 ? 30  ASP   A H    1 c 2 
ATOM   2077 H HA   . ASP   B 1 18  ? 2.374  -3.374  -3.681  1   40.611 ? 30  ASP   A HA   1 c 2 
ATOM   2078 H HB2  . ASP   B 1 18  ? 2.225  -3.153  -1.366  1   39.285 ? 30  ASP   A HB2  1 c 2 
ATOM   2079 H HB3  . ASP   B 1 18  ? 2.089  -4.663  -1.818  1   40.962 ? 30  ASP   A HB3  1 c 2 
ATOM   2080 N N    . ARG   B 1 19  ? 5.131  -2.256  -3.88   1   35.928 ? 31  ARG   A N    1 ? 2 
ATOM   2081 C CA   . ARG   B 1 19  ? 6.013  -1.086  -3.977  1   33.105 ? 31  ARG   A CA   1 ? 2 
ATOM   2082 C C    . ARG   B 1 19  ? 6.524  -0.682  -2.588  1   31.88  ? 31  ARG   A C    1 ? 2 
ATOM   2083 O O    . ARG   B 1 19  ? 7.045  0.43    -2.43   1   31.385 ? 31  ARG   A O    1 ? 2 
ATOM   2084 C CB   . ARG   B 1 19  ? 5.347  0.132   -4.673  1   33.494 ? 31  ARG   A CB   1 ? 2 
ATOM   2085 C CG   . ARG   B 1 19  ? 4.982  -0.208  -6.101  1   38.002 ? 31  ARG   A CG   1 ? 2 
ATOM   2086 C CD   . ARG   B 1 19  ? 4.446  0.937   -6.992  1   39.459 ? 31  ARG   A CD   1 ? 2 
ATOM   2087 N NE   . ARG   B 1 19  ? 5.214  2.172   -6.832  1   38.603 ? 31  ARG   A NE   1 ? 2 
ATOM   2088 C CZ   . ARG   B 1 19  ? 6.284  2.586   -7.434  1   39.564 ? 31  ARG   A CZ   1 ? 2 
ATOM   2089 N NH1  . ARG   B 1 19  ? 6.939  1.814   -8.263  1   42.875 ? 31  ARG   A NH1  1 ? 2 
ATOM   2090 N NH2  . ARG   B 1 19  ? 6.759  3.813   -7.173  1   41.779 ? 31  ARG   A NH2  1 ? 2 
ATOM   2091 H H    . ARG   B 1 19  ? 5.353  -3.004  -4.354  1   35.825 ? 31  ARG   A H    1 c 2 
ATOM   2092 H HA   . ARG   B 1 19  ? 6.797  -1.345  -4.523  1   33.162 ? 31  ARG   A HA   1 c 2 
ATOM   2093 H HB2  . ARG   B 1 19  ? 4.539  0.39    -4.185  1   34.777 ? 31  ARG   A HB2  1 c 2 
ATOM   2094 H HB3  . ARG   B 1 19  ? 5.967  0.892   -4.669  1   33.448 ? 31  ARG   A HB3  1 c 2 
ATOM   2095 H HG2  . ARG   B 1 19  ? 5.774  -0.589  -6.538  1   37.128 ? 31  ARG   A HG2  1 c 2 
ATOM   2096 H HG3  . ARG   B 1 19  ? 4.307  -0.921  -6.084  1   38.407 ? 31  ARG   A HG3  1 c 2 
ATOM   2097 H HD2  . ARG   B 1 19  ? 4.481  0.656   -7.93   1   41.22  ? 31  ARG   A HD2  1 c 2 
ATOM   2098 H HD3  . ARG   B 1 19  ? 3.51   1.109   -6.764  1   40.564 ? 31  ARG   A HD3  1 c 2 
ATOM   2099 H HE   . ARG   B 1 19  ? 4.905  2.722   -6.231  1   38.36  ? 31  ARG   A HE   1 c 2 
ATOM   2100 H HH11 . ARG   B 1 19  ? 7.104  0.973   -8.044  1   41.327 ? 31  ARG   A HH11 1 c 2 
ATOM   2101 H HH12 . ARG   B 1 19  ? 7.214  2.137   -9.038  1   43.271 ? 31  ARG   A HH12 1 c 2 
ATOM   2102 H HH21 . ARG   B 1 19  ? 6.282  4.384   -6.695  1   40.771 ? 31  ARG   A HH21 1 c 2 
ATOM   2103 H HH22 . ARG   B 1 19  ? 7.553  4.049   -7.483  1   40.792 ? 31  ARG   A HH22 1 c 2 
ATOM   2104 N N    . GLY   B 1 20  ? 6.549  -1.64   -1.654  1   28.217 ? 32  GLY   A N    1 ? 2 
ATOM   2105 C CA   . GLY   B 1 20  ? 6.981  -1.356  -0.291  1   27.144 ? 32  GLY   A CA   1 ? 2 
ATOM   2106 C C    . GLY   B 1 20  ? 8.481  -1.129  -0.131  1   25.142 ? 32  GLY   A C    1 ? 2 
ATOM   2107 O O    . GLY   B 1 20  ? 8.928  -0.467  0.812   1   26.361 ? 32  GLY   A O    1 ? 2 
ATOM   2108 H H    . GLY   B 1 20  ? 6.317  -2.496  -1.872  1   29.804 ? 32  GLY   A H    1 c 2 
ATOM   2109 H HA2  . GLY   B 1 20  ? 6.502  -0.556  0.029   1   27.164 ? 32  GLY   A HA2  1 c 2 
ATOM   2110 H HA3  . GLY   B 1 20  ? 6.711  -2.108  0.283   1   27.227 ? 32  GLY   A HA3  1 c 2 
ATOM   2111 N N    . VAL   B 1 21  ? 9.262  -1.72   -1.03   1   25.937 ? 33  VAL   A N    1 ? 2 
ATOM   2112 C CA   . VAL   B 1 21  ? 10.697 -1.617  -1.039  1   25.677 ? 33  VAL   A CA   1 ? 2 
ATOM   2113 C C    . VAL   B 1 21  ? 11.083 -1.44   -2.503  1   24.984 ? 33  VAL   A C    1 ? 2 
ATOM   2114 O O    . VAL   B 1 21  ? 10.862 -2.366  -3.318  1   25.441 ? 33  VAL   A O    1 ? 2 
ATOM   2115 C CB   . VAL   B 1 21  ? 11.485 -2.792  -0.413  1   26.127 ? 33  VAL   A CB   1 ? 2 
ATOM   2116 C CG1  . VAL   B 1 21  ? 13.003 -2.558  -0.426  1   27.967 ? 33  VAL   A CG1  1 ? 2 
ATOM   2117 C CG2  . VAL   B 1 21  ? 10.939 -3.186  0.954   1   27.659 ? 33  VAL   A CG2  1 ? 2 
ATOM   2118 H H    . VAL   B 1 21  ? 8.866  -2.225  -1.68   1   26.919 ? 33  VAL   A H    1 c 2 
ATOM   2119 H HA   . VAL   B 1 21  ? 10.944 -0.803  -0.56   1   24.761 ? 33  VAL   A HA   1 c 2 
ATOM   2120 H HB   . VAL   B 1 21  ? 11.328 -3.57   -0.998  1   27.454 ? 33  VAL   A HB   1 c 2 
ATOM   2121 H HG11 . VAL   B 1 21  ? 13.197 -1.665  -0.096  1   26.691 ? 33  VAL   A HG11 1 c 2 
ATOM   2122 H HG12 . VAL   B 1 21  ? 13.339 -2.647  -1.334  1   27.656 ? 33  VAL   A HG12 1 c 2 
ATOM   2123 H HG13 . VAL   B 1 21  ? 13.437 -3.215  0.144   1   26.897 ? 33  VAL   A HG13 1 c 2 
ATOM   2124 H HG21 . VAL   B 1 21  ? 11.498 -3.883  1.338   1   26.972 ? 33  VAL   A HG21 1 c 2 
ATOM   2125 H HG22 . VAL   B 1 21  ? 10.03  -3.518  0.858   1   27.931 ? 33  VAL   A HG22 1 c 2 
ATOM   2126 H HG23 . VAL   B 1 21  ? 10.94  -2.411  1.54    1   26.621 ? 33  VAL   A HG23 1 c 2 
ATOM   2127 N N    . LEU   B 1 22  ? 11.54  -0.237  -2.844  1   25.921 ? 34  LEU   A N    1 ? 2 
ATOM   2128 C CA   . LEU   B 1 22  ? 11.992 0.076   -4.19   1   26.825 ? 34  LEU   A CA   1 ? 2 
ATOM   2129 C C    . LEU   B 1 22  ? 13.5   0.246   -4.234  1   27.41  ? 34  LEU   A C    1 ? 2 
ATOM   2130 O O    . LEU   B 1 22  ? 14.049 0.882   -3.336  1   25.787 ? 34  LEU   A O    1 ? 2 
ATOM   2131 C CB   . LEU   B 1 22  ? 11.292 1.362   -4.593  1   28.938 ? 34  LEU   A CB   1 ? 2 
ATOM   2132 C CG   . LEU   B 1 22  ? 9.767  1.297   -4.702  1   29.916 ? 34  LEU   A CG   1 ? 2 
ATOM   2133 C CD1  . LEU   B 1 22  ? 9.354  2.721   -4.888  1   32.809 ? 34  LEU   A CD1  1 ? 2 
ATOM   2134 C CD2  . LEU   B 1 22  ? 9.277  0.321   -5.802  1   35.474 ? 34  LEU   A CD2  1 ? 2 
ATOM   2135 H H    . LEU   B 1 22  ? 11.572 0.421   -2.211  1   25.026 ? 34  LEU   A H    1 c 2 
ATOM   2136 H HA   . LEU   B 1 22  ? 11.721 -0.653  -4.799  1   28.157 ? 34  LEU   A HA   1 c 2 
ATOM   2137 H HB2  . LEU   B 1 22  ? 11.529 2.056   -3.935  1   27.932 ? 34  LEU   A HB2  1 c 2 
ATOM   2138 H HB3  . LEU   B 1 22  ? 11.653 1.647   -5.464  1   29.743 ? 34  LEU   A HB3  1 c 2 
ATOM   2139 H HG   . LEU   B 1 22  ? 9.407  0.985   -3.832  1   30.075 ? 34  LEU   A HG   1 c 2 
ATOM   2140 H HD11 . LEU   B 1 22  ? 9.571  3.231   -4.089  1   31.161 ? 34  LEU   A HD11 1 c 2 
ATOM   2141 H HD12 . LEU   B 1 22  ? 8.395  2.763   -5.044  1   33.09  ? 34  LEU   A HD12 1 c 2 
ATOM   2142 H HD13 . LEU   B 1 22  ? 9.821  3.1     -5.651  1   33.036 ? 34  LEU   A HD13 1 c 2 
ATOM   2143 H HD21 . LEU   B 1 22  ? 9.458  -0.593  -5.528  1   33.727 ? 34  LEU   A HD21 1 c 2 
ATOM   2144 H HD22 . LEU   B 1 22  ? 9.744  0.507   -6.634  1   35.202 ? 34  LEU   A HD22 1 c 2 
ATOM   2145 H HD23 . LEU   B 1 22  ? 8.321  0.435   -5.936  1   35.241 ? 34  LEU   A HD23 1 c 2 
ATOM   2146 N N    . LYS   B 1 23  ? 14.114 -0.306  -5.265  1   26.024 ? 35  LYS   A N    1 ? 2 
ATOM   2147 C CA   . LYS   B 1 23  ? 15.563 -0.335  -5.441  1   27.097 ? 35  LYS   A CA   1 ? 2 
ATOM   2148 C C    . LYS   B 1 23  ? 16.081 0.2     -6.755  1   31.287 ? 35  LYS   A C    1 ? 2 
ATOM   2149 O O    . LYS   B 1 23  ? 15.652 -0.229  -7.83   1   31.154 ? 35  LYS   A O    1 ? 2 
ATOM   2150 C CB   . LYS   B 1 23  ? 16.031 -1.778  -5.191  1   30.364 ? 35  LYS   A CB   1 ? 2 
ATOM   2151 C CG   . LYS   B 1 23  ? 17.573 -1.988  -5.297  1   31.197 ? 35  LYS   A CG   1 ? 2 
ATOM   2152 C CD   . LYS   B 1 23  ? 18.019 -3.441  -5.163  1   30.218 ? 35  LYS   A CD   1 ? 2 
ATOM   2153 C CE   . LYS   B 1 23  ? 19.507 -3.628  -5.145  1   32.52  ? 35  LYS   A CE   1 ? 2 
ATOM   2154 N NZ   . LYS   B 1 23  ? 19.924 -4.959  -5.643  1   30.724 ? 35  LYS   A NZ   1 ? 2 
ATOM   2155 H H    . LYS   B 1 23  ? 13.6   -0.693  -5.914  1   27.832 ? 35  LYS   A H    1 c 2 
ATOM   2156 H HA   . LYS   B 1 23  ? 15.957 0.213   -4.721  1   27.058 ? 35  LYS   A HA   1 c 2 
ATOM   2157 H HB2  . LYS   B 1 23  ? 15.741 -2.052  -4.295  1   28.468 ? 35  LYS   A HB2  1 c 2 
ATOM   2158 H HB3  . LYS   B 1 23  ? 15.592 -2.368  -5.84   1   30.536 ? 35  LYS   A HB3  1 c 2 
ATOM   2159 H HG2  . LYS   B 1 23  ? 17.877 -1.644  -6.164  1   32.097 ? 35  LYS   A HG2  1 c 2 
ATOM   2160 H HG3  . LYS   B 1 23  ? 18.008 -1.456  -4.595  1   30.008 ? 35  LYS   A HG3  1 c 2 
ATOM   2161 H HD2  . LYS   B 1 23  ? 17.644 -3.81   -4.333  1   29.864 ? 35  LYS   A HD2  1 c 2 
ATOM   2162 H HD3  . LYS   B 1 23  ? 17.644 -3.955  -5.911  1   31.949 ? 35  LYS   A HD3  1 c 2 
ATOM   2163 H HE2  . LYS   B 1 23  ? 19.923 -2.942  -5.697  1   32.164 ? 35  LYS   A HE2  1 c 2 
ATOM   2164 H HE3  . LYS   B 1 23  ? 19.833 -3.517  -4.234  1   30.337 ? 35  LYS   A HE3  1 c 2 
ATOM   2165 H HZ1  . LYS   B 1 23  ? 19.68  -5.053  -6.51   1   32.782 ? 35  LYS   A HZ1  1 c 2 
ATOM   2166 H HZ2  . LYS   B 1 23  ? 19.528 -5.608  -5.15   1   31.064 ? 35  LYS   A HZ2  1 c 2 
ATOM   2167 H HZ3  . LYS   B 1 23  ? 20.824 -5.043  -5.576  1   31.954 ? 35  LYS   A HZ3  1 c 2 
ATOM   2168 N N    . ILE   B 1 24  ? 17.172 0.991   -6.668  1   30.506 ? 36  ILE   A N    1 ? 2 
ATOM   2169 C CA   . ILE   B 1 24  ? 18.044 1.247   -7.8    1   31.808 ? 36  ILE   A CA   1 ? 2 
ATOM   2170 C C    . ILE   B 1 24  ? 19.469 0.815   -7.454  1   34.097 ? 36  ILE   A C    1 ? 2 
ATOM   2171 O O    . ILE   B 1 24  ? 20.081 1.231   -6.44   1   33.284 ? 36  ILE   A O    1 ? 2 
ATOM   2172 C CB   . ILE   B 1 24  ? 18.023 2.713   -8.249  1   35.423 ? 36  ILE   A CB   1 ? 2 
ATOM   2173 C CG1  . ILE   B 1 24  ? 16.624 3.203   -8.59   1   35.839 ? 36  ILE   A CG1  1 ? 2 
ATOM   2174 C CG2  . ILE   B 1 24  ? 19.054 3.017   -9.37   1   39.688 ? 36  ILE   A CG2  1 ? 2 
ATOM   2175 C CD1  . ILE   B 1 24  ? 16.566 4.656   -8.989  1   41.476 ? 36  ILE   A CD1  1 ? 2 
ATOM   2176 H H    . ILE   B 1 24  ? 17.371 1.385   -5.868  1   29.478 ? 36  ILE   A H    1 c 2 
ATOM   2177 H HA   . ILE   B 1 24  ? 17.735 0.703   -8.549  1   33.869 ? 36  ILE   A HA   1 c 2 
ATOM   2178 H HB   . ILE   B 1 24  ? 18.307 3.235   -7.472  1   34.281 ? 36  ILE   A HB   1 c 2 
ATOM   2179 H HG12 . ILE   B 1 24  ? 16.272 2.661   -9.326  1   37.749 ? 36  ILE   A HG12 1 c 2 
ATOM   2180 H HG13 . ILE   B 1 24  ? 16.044 3.068   -7.814  1   35.077 ? 36  ILE   A HG13 1 c 2 
ATOM   2181 H HG21 . ILE   B 1 24  ? 19.014 3.958   -9.607  1   40.38  ? 36  ILE   A HG21 1 c 2 
ATOM   2182 H HG22 . ILE   B 1 24  ? 18.851 2.479   -10.153 1   40.437 ? 36  ILE   A HG22 1 c 2 
ATOM   2183 H HG23 . ILE   B 1 24  ? 19.949 2.806   -9.058  1   38.971 ? 36  ILE   A HG23 1 c 2 
ATOM   2184 H HD11 . ILE   B 1 24  ? 17.091 5.189   -8.361  1   39.599 ? 36  ILE   A HD11 1 c 2 
ATOM   2185 H HD12 . ILE   B 1 24  ? 15.64  4.961   -8.975  1   40.251 ? 36  ILE   A HD12 1 c 2 
ATOM   2186 H HD13 . ILE   B 1 24  ? 16.927 4.767   -9.888  1   42.224 ? 36  ILE   A HD13 1 c 2 
ATOM   2187 N N    . VAL   B 1 25  ? 20.058 0.128   -8.448  1   34.655 ? 37  VAL   A N    1 ? 2 
ATOM   2188 C CA   . VAL   B 1 25  ? 21.466 -0.177  -8.381  1   35.71  ? 37  VAL   A CA   1 ? 2 
ATOM   2189 C C    . VAL   B 1 25  ? 22.209 1.066   -8.889  1   37.294 ? 37  VAL   A C    1 ? 2 
ATOM   2190 O O    . VAL   B 1 25  ? 22.1   1.426   -10.081 1   40.02  ? 37  VAL   A O    1 ? 2 
ATOM   2191 C CB   . VAL   B 1 25  ? 21.799 -1.442  -9.197  1   37.246 ? 37  VAL   A CB   1 ? 2 
ATOM   2192 C CG1  . VAL   B 1 25  ? 23.301 -1.734  -9.229  1   40.915 ? 37  VAL   A CG1  1 ? 2 
ATOM   2193 C CG2  . VAL   B 1 25  ? 21.032 -2.659  -8.694  1   35.454 ? 37  VAL   A CG2  1 ? 2 
ATOM   2194 H H    . VAL   B 1 25  ? 19.573 -0.151  -9.172  1   36.06  ? 37  VAL   A H    1 c 2 
ATOM   2195 H HA   . VAL   B 1 25  ? 21.709 -0.335  -7.448  1   34.042 ? 37  VAL   A HA   1 c 2 
ATOM   2196 H HB   . VAL   B 1 25  ? 21.51  -1.271  -10.124 1   39.299 ? 37  VAL   A HB   1 c 2 
ATOM   2197 H HG11 . VAL   B 1 25  ? 23.663 -1.672  -8.329  1   38.817 ? 37  VAL   A HG11 1 c 2 
ATOM   2198 H HG12 . VAL   B 1 25  ? 23.747 -1.087  -9.802  1   41.829 ? 37  VAL   A HG12 1 c 2 
ATOM   2199 H HG13 . VAL   B 1 25  ? 23.451 -2.629  -9.577  1   40.855 ? 37  VAL   A HG13 1 c 2 
ATOM   2200 H HG21 . VAL   B 1 25  ? 21.312 -3.447  -9.189  1   36.688 ? 37  VAL   A HG21 1 c 2 
ATOM   2201 H HG22 . VAL   B 1 25  ? 20.079 -2.519  -8.823  1   35.248 ? 37  VAL   A HG22 1 c 2 
ATOM   2202 H HG23 . VAL   B 1 25  ? 21.214 -2.789  -7.749  1   33.966 ? 37  VAL   A HG23 1 c 2 
ATOM   2203 N N    . LYS   B 1 26  ? 23.094 1.602   -8.05   1   34.12  ? 38  LYS   A N    1 ? 2 
ATOM   2204 C CA   . LYS   B 1 26  ? 23.896 2.758   -8.392  1   37.117 ? 38  LYS   A CA   1 ? 2 
ATOM   2205 C C    . LYS   B 1 26  ? 25.262 2.366   -8.89   1   40.496 ? 38  LYS   A C    1 ? 2 
ATOM   2206 O O    . LYS   B 1 26  ? 25.823 3.085   -9.717  1   45.332 ? 38  LYS   A O    1 ? 2 
ATOM   2207 C CB   . LYS   B 1 26  ? 23.978 3.759   -7.231  1   37.25  ? 38  LYS   A CB   1 ? 2 
ATOM   2208 C CG   . LYS   B 1 26  ? 22.617 4.294   -6.784  1   38.695 ? 38  LYS   A CG   1 ? 2 
ATOM   2209 C CD   . LYS   B 1 26  ? 21.74  4.909   -7.88   1   42.095 ? 38  LYS   A CD   1 ? 2 
ATOM   2210 C CE   . LYS   B 1 26  ? 21.987 6.273   -8.188  1   41.718 ? 38  LYS   A CE   1 ? 2 
ATOM   2211 N NZ   . LYS   B 1 26  ? 21.396 6.815   -9.402  1   45.376 ? 38  LYS   A NZ   1 ? 2 
ATOM   2212 H H    . LYS   B 1 26  ? 23.197 1.232   -7.22   1   33.429 ? 38  LYS   A H    1 c 2 
ATOM   2213 H HA   . LYS   B 1 26  ? 23.443 3.224   -9.137  1   38.774 ? 38  LYS   A HA   1 c 2 
ATOM   2214 H HB2  . LYS   B 1 26  ? 24.41  3.324   -6.465  1   36.494 ? 38  LYS   A HB2  1 c 2 
ATOM   2215 H HB3  . LYS   B 1 26  ? 24.539 4.517   -7.502  1   39.384 ? 38  LYS   A HB3  1 c 2 
ATOM   2216 H HG2  . LYS   B 1 26  ? 22.122 3.556   -6.367  1   36.574 ? 38  LYS   A HG2  1 c 2 
ATOM   2217 H HG3  . LYS   B 1 26  ? 22.769 4.971   -6.089  1   37.955 ? 38  LYS   A HG3  1 c 2 
ATOM   2218 H HD2  . LYS   B 1 26  ? 21.84  4.382   -8.7    1   42.108 ? 38  LYS   A HD2  1 c 2 
ATOM   2219 H HD3  . LYS   B 1 26  ? 20.803 4.821   -7.602  1   39.697 ? 38  LYS   A HD3  1 c 2 
ATOM   2220 H HE2  . LYS   B 1 26  ? 21.677 6.811   -7.439  1   41.51  ? 38  LYS   A HE2  1 c 2 
ATOM   2221 H HE3  . LYS   B 1 26  ? 22.951 6.395   -8.246  1   43.775 ? 38  LYS   A HE3  1 c 2 
ATOM   2222 H HZ1  . LYS   B 1 26  ? 20.499 6.695   -9.387  1   44.082 ? 38  LYS   A HZ1  1 c 2 
ATOM   2223 H HZ2  . LYS   B 1 26  ? 21.741 6.392   -10.126 1   46.333 ? 38  LYS   A HZ2  1 c 2 
ATOM   2224 H HZ3  . LYS   B 1 26  ? 21.577 7.701   -9.462  1   46.36  ? 38  LYS   A HZ3  1 c 2 
ATOM   2225 N N    . ARG   B 1 27  ? 25.841 1.336   -8.309  1   40.123 ? 39  ARG   A N    1 ? 2 
ATOM   2226 C CA   . ARG   B 1 27  ? 27.111 0.8     -8.74   1   44.408 ? 39  ARG   A CA   1 ? 2 
ATOM   2227 C C    . ARG   B 1 27  ? 27.046 -0.713  -8.685  1   43.708 ? 39  ARG   A C    1 ? 2 
ATOM   2228 O O    . ARG   B 1 27  ? 26.712 -1.293  -7.648  1   43.758 ? 39  ARG   A O    1 ? 2 
ATOM   2229 C CB   . ARG   B 1 27  ? 28.288 1.246   -7.861  1   47.874 ? 39  ARG   A CB   1 ? 2 
ATOM   2230 C CG   . ARG   B 1 27  ? 29.609 0.706   -8.364  1   49.824 ? 39  ARG   A CG   1 ? 2 
ATOM   2231 C CD   . ARG   B 1 27  ? 30.751 1.136   -7.503  1   53.722 ? 39  ARG   A CD   1 ? 2 
ATOM   2232 N NE   . ARG   B 1 27  ? 30.761 0.446   -6.201  1   53.548 ? 39  ARG   A NE   1 ? 2 
ATOM   2233 C CZ   . ARG   B 1 27  ? 31.486 0.865   -5.141  1   54.818 ? 39  ARG   A CZ   1 ? 2 
ATOM   2234 N NH1  . ARG   B 1 27  ? 31.468 0.173   -4.01   1   54.347 ? 39  ARG   A NH1  1 ? 2 
ATOM   2235 N NH2  . ARG   B 1 27  ? 32.206 1.996   -5.251  1   53.616 ? 39  ARG   A NH2  1 ? 2 
ATOM   2236 H H    . ARG   B 1 27  ? 25.43  0.947   -7.591  1   38.367 ? 39  ARG   A H    1 c 2 
ATOM   2237 H HA   . ARG   B 1 27  ? 27.276 1.083   -9.675  1   46.714 ? 39  ARG   A HA   1 c 2 
ATOM   2238 H HB2  . ARG   B 1 27  ? 28.326 2.226   -7.846  1   47.685 ? 39  ARG   A HB2  1 c 2 
ATOM   2239 H HB3  . ARG   B 1 27  ? 28.142 0.934   -6.943  1   44.995 ? 39  ARG   A HB3  1 c 2 
ATOM   2240 H HG2  . ARG   B 1 27  ? 29.577 -0.274  -8.383  1   50.129 ? 39  ARG   A HG2  1 c 2 
ATOM   2241 H HG3  . ARG   B 1 27  ? 29.761 1.024   -9.281  1   52.885 ? 39  ARG   A HG3  1 c 2 
ATOM   2242 H HD2  . ARG   B 1 27  ? 31.592 0.955   -7.97   1   55.779 ? 39  ARG   A HD2  1 c 2 
ATOM   2243 H HD3  . ARG   B 1 27  ? 30.691 2.102   -7.356  1   53.826 ? 39  ARG   A HD3  1 c 2 
ATOM   2244 H HE   . ARG   B 1 27  ? 30.275 -0.271  -6.109  1   51.815 ? 39  ARG   A HE   1 c 2 
ATOM   2245 H HH11 . ARG   B 1 27  ? 30.951 -0.539  -3.934  1   52.443 ? 39  ARG   A HH11 1 c 2 
ATOM   2246 H HH12 . ARG   B 1 27  ? 31.977 0.428   -3.333  1   54.264 ? 39  ARG   A HH12 1 c 2 
ATOM   2247 H HH21 . ARG   B 1 27  ? 32.88  2.035   -5.823  1   56.93  ? 39  ARG   A HH21 1 c 2 
ATOM   2248 H HH22 . ARG   B 1 27  ? 32.003 2.696   -4.75   1   54.176 ? 39  ARG   A HH22 1 c 2 
ATOM   2249 N N    . VAL   B 1 28  ? 27.251 -1.352  -9.837  1   44.882 ? 40  VAL   A N    1 ? 2 
ATOM   2250 C CA   . VAL   B 1 28  ? 27.184 -2.802  -9.925  1   45.859 ? 40  VAL   A CA   1 ? 2 
ATOM   2251 C C    . VAL   B 1 28  ? 28.295 -3.412  -9.063  1   47.211 ? 40  VAL   A C    1 ? 2 
ATOM   2252 O O    . VAL   B 1 28  ? 29.413 -2.88   -8.967  1   48.915 ? 40  VAL   A O    1 ? 2 
ATOM   2253 C CB   . VAL   B 1 28  ? 27.287 -3.336  -11.381 1   51.782 ? 40  VAL   A CB   1 ? 2 
ATOM   2254 C CG1  . VAL   B 1 28  ? 27.316 -4.853  -11.415 1   53.971 ? 40  VAL   A CG1  1 ? 2 
ATOM   2255 C CG2  . VAL   B 1 28  ? 26.157 -2.846  -12.288 1   51.2   ? 40  VAL   A CG2  1 ? 2 
ATOM   2256 H H    . VAL   B 1 28  ? 27.442 -0.874  -10.593 1   47.477 ? 40  VAL   A H    1 c 2 
ATOM   2257 H HA   . VAL   B 1 28  ? 26.323 -3.085  -9.559  1   44.504 ? 40  VAL   A HA   1 c 2 
ATOM   2258 H HB   . VAL   B 1 28  ? 28.139 -3.008  -11.752 1   53.439 ? 40  VAL   A HB   1 c 2 
ATOM   2259 H HG11 . VAL   B 1 28  ? 26.665 -5.205  -10.787 1   51.15  ? 40  VAL   A HG11 1 c 2 
ATOM   2260 H HG12 . VAL   B 1 28  ? 28.202 -5.168  -11.175 1   54.006 ? 40  VAL   A HG12 1 c 2 
ATOM   2261 H HG13 . VAL   B 1 28  ? 27.098 -5.162  -12.311 1   55.11  ? 40  VAL   A HG13 1 c 2 
ATOM   2262 H HG21 . VAL   B 1 28  ? 26.309 -3.16   -13.195 1   53.952 ? 40  VAL   A HG21 1 c 2 
ATOM   2263 H HG22 . VAL   B 1 28  ? 26.135 -1.874  -12.283 1   51.672 ? 40  VAL   A HG22 1 c 2 
ATOM   2264 H HG23 . VAL   B 1 28  ? 25.308 -3.191  -11.964 1   49.788 ? 40  VAL   A HG23 1 c 2 
ATOM   2265 N N    . GLY   B 1 29  ? 28.034 -4.603  -8.532  1   45.947 ? 41  GLY   A N    1 ? 2 
ATOM   2266 C CA   . GLY   B 1 29  ? 29.039 -5.323  -7.769  1   46.926 ? 41  GLY   A CA   1 ? 2 
ATOM   2267 C C    . GLY   B 1 29  ? 29.776 -6.402  -8.555  1   49.213 ? 41  GLY   A C    1 ? 2 
ATOM   2268 O O    . GLY   B 1 29  ? 29.914 -6.35   -9.775  1   54.341 ? 41  GLY   A O    1 ? 2 
ATOM   2269 H H    . GLY   B 1 29  ? 27.205 -4.974  -8.632  1   45.216 ? 41  GLY   A H    1 c 2 
ATOM   2270 H HA2  . GLY   B 1 29  ? 29.696 -4.677  -7.418  1   47.008 ? 41  GLY   A HA2  1 c 2 
ATOM   2271 H HA3  . GLY   B 1 29  ? 28.596 -5.741  -6.993  1   44.808 ? 41  GLY   A HA3  1 c 2 
ATOM   2272 N N    . ASN   B 1 30  ? 30.308 -7.362  -7.801  1   48.093 ? 42  ASN   A N    1 ? 2 
ATOM   2273 C CA   . ASN   B 1 30  ? 31.277 -8.327  -8.282  1   52.406 ? 42  ASN   A CA   1 ? 2 
ATOM   2274 C C    . ASN   B 1 30  ? 30.707 -9.709  -8.095  1   51.88  ? 42  ASN   A C    1 ? 2 
ATOM   2275 O O    . ASN   B 1 30  ? 30.206 -10.02  -7.037  1   55.213 ? 42  ASN   A O    1 ? 2 
ATOM   2276 C CB   . ASN   B 1 30  ? 32.587 -8.258  -7.514  1   55.852 ? 42  ASN   A CB   1 ? 2 
ATOM   2277 C CG   . ASN   B 1 30  ? 33.137 -6.866  -7.552  1   60.493 ? 42  ASN   A CG   1 ? 2 
ATOM   2278 O OD1  . ASN   B 1 30  ? 33.139 -6.16   -6.535  1   66.003 ? 42  ASN   A OD1  1 ? 2 
ATOM   2279 N ND2  . ASN   B 1 30  ? 33.498 -6.427  -8.743  1   68.534 ? 42  ASN   A ND2  1 ? 2 
ATOM   2280 H H    . ASN   B 1 30  ? 30.047 -7.419  -6.927  1   46.877 ? 42  ASN   A H    1 c 2 
ATOM   2281 H HA   . ASN   B 1 30  ? 31.463 -8.162  -9.234  1   54.562 ? 42  ASN   A HA   1 c 2 
ATOM   2282 H HB2  . ASN   B 1 30  ? 32.437 -8.524  -6.585  1   54.583 ? 42  ASN   A HB2  1 c 2 
ATOM   2283 H HB3  . ASN   B 1 30  ? 33.233 -8.875  -7.912  1   58.29  ? 42  ASN   A HB3  1 c 2 
ATOM   2284 H HD21 . ASN   B 1 30  ? 33.459 -5.56   -8.924  1   66.91  ? 42  ASN   A HD21 1 c 2 
ATOM   2285 H HD22 . ASN   B 1 30  ? 33.78  -6.999  -9.36   1   68.541 ? 42  ASN   A HD22 1 c 2 
ATOM   2286 N N    . GLY   B 1 31  ? 30.824 -10.519 -9.14   1   57.979 ? 43  GLY   A N    1 ? 2 
ATOM   2287 C CA   . GLY   B 1 31  ? 30.438 -11.917 -9.108  1   57.683 ? 43  GLY   A CA   1 ? 2 
ATOM   2288 C C    . GLY   B 1 31  ? 28.924 -12.078 -9.211  1   56.287 ? 43  GLY   A C    1 ? 2 
ATOM   2289 O O    . GLY   B 1 31  ? 28.218 -11.145 -9.564  1   61.873 ? 43  GLY   A O    1 ? 2 
ATOM   2290 H H    . GLY   B 1 31  ? 31.163 -10.184 -9.92   1   58.66  ? 43  GLY   A H    1 c 2 
ATOM   2291 H HA2  . GLY   B 1 31  ? 30.871 -12.389 -9.857  1   60.468 ? 43  GLY   A HA2  1 c 2 
ATOM   2292 H HA3  . GLY   B 1 31  ? 30.757 -12.322 -8.268  1   57.36  ? 43  GLY   A HA3  1 c 2 
ATOM   2293 N N    . GLU   B 1 32  ? 28.459 -13.277 -8.879  1   57.434 ? 44  GLU   A N    1 ? 2 
ATOM   2294 C CA   . GLU   B 1 32  ? 27.053 -13.624 -8.981  1   55.555 ? 44  GLU   A CA   1 ? 2 
ATOM   2295 C C    . GLU   B 1 32  ? 26.457 -13.76  -7.567  1   50.921 ? 44  GLU   A C    1 ? 2 
ATOM   2296 O O    . GLU   B 1 32  ? 25.286 -13.503 -7.417  1   48.92  ? 44  GLU   A O    1 ? 2 
ATOM   2297 C CB   . GLU   B 1 32  ? 26.919 -14.799 -9.96   1   55.936 ? 44  GLU   A CB   1 ? 2 
ATOM   2298 H H    . GLU   B 1 32  ? 29.047 -13.914 -8.587  1   57.869 ? 44  GLU   A H    1 c 2 
ATOM   2299 H HA   . GLU   B 1 32  ? 26.589 -12.864 -9.414  1   54.321 ? 44  GLU   A HA   1 c 2 
ATOM   2300 H HB2  . GLU   B 1 32  ? 27.871 -15.055 -10.248 0   30     ? 44  GLU   A HB2  1 c 2 
ATOM   2301 H HB3  . GLU   B 1 32  ? 26.017 -14.983 -10.185 0   30     ? 44  GLU   A HB3  1 c 2 
ATOM   2302 N N    . GLU   B 1 33  ? 27.235 -14.122 -6.538  1   49.048 ? 45  GLU   A N    1 ? 2 
ATOM   2303 C CA   . GLU   B 1 33  ? 26.674 -14.488 -5.237  1   47.125 ? 45  GLU   A CA   1 ? 2 
ATOM   2304 C C    . GLU   B 1 33  ? 26.062 -13.291 -4.519  1   43.287 ? 45  GLU   A C    1 ? 2 
ATOM   2305 O O    . GLU   B 1 33  ? 26.608 -12.172 -4.474  1   39.91  ? 45  GLU   A O    1 ? 2 
ATOM   2306 C CB   . GLU   B 1 33  ? 27.659 -15.165 -4.282  1   48.252 ? 45  GLU   A CB   1 ? 2 
ATOM   2307 H H    . GLU   B 1 33  ? 28.142 -14.141 -6.644  1   50.635 ? 45  GLU   A H    1 c 2 
ATOM   2308 H HA   . GLU   B 1 33  ? 25.949 -15.142 -5.405  1   47.474 ? 45  GLU   A HA   1 c 2 
ATOM   2309 H HB2  . GLU   B 1 33  ? 28.569 -14.96  -4.57   0   30     ? 45  GLU   A HB2  1 c 2 
ATOM   2310 H HB3  . GLU   B 1 33  ? 27.142 -15.649 -3.603  0   30     ? 45  GLU   A HB3  1 c 2 
ATOM   2311 N N    . THR   B 1 34  ? 24.897 -13.549 -3.907  1   40.361 ? 46  THR   A N    1 ? 2 
ATOM   2312 C CA   . THR   B 1 34  ? 24.232 -12.631 -2.992  1   38.198 ? 46  THR   A CA   1 ? 2 
ATOM   2313 C C    . THR   B 1 34  ? 24.005 -13.351 -1.681  1   37.649 ? 46  THR   A C    1 ? 2 
ATOM   2314 O O    . THR   B 1 34  ? 24.022 -14.555 -1.653  1   39.439 ? 46  THR   A O    1 ? 2 
ATOM   2315 C CB   . THR   B 1 34  ? 22.886 -12.183 -3.523  1   38.472 ? 46  THR   A CB   1 ? 2 
ATOM   2316 O OG1  . THR   B 1 34  ? 22.101 -13.372 -3.711  1   35.904 ? 46  THR   A OG1  1 ? 2 
ATOM   2317 C CG2  . THR   B 1 34  ? 23.068 -11.461 -4.838  1   39.325 ? 46  THR   A CG2  1 ? 2 
ATOM   2318 H H    . THR   B 1 34  ? 24.494 -14.351 -4.071  1   41.797 ? 46  THR   A H    1 c 2 
ATOM   2319 H HA   . THR   B 1 34  ? 24.803 -11.847 -2.845  1   37.716 ? 46  THR   A HA   1 c 2 
ATOM   2320 H HB   . THR   B 1 34  ? 22.442 -11.589 -2.872  1   35.936 ? 46  THR   A HB   1 c 2 
ATOM   2321 H HG1  . THR   B 1 34  ? 22.499 -13.889 -4.289  0   30     ? 46  THR   A HG1  1 c 2 
ATOM   2322 H HG21 . THR   B 1 34  ? 22.247 -10.995 -5.069  1   38.573 ? 46  THR   A HG21 1 c 2 
ATOM   2323 H HG22 . THR   B 1 34  ? 23.282 -12.104 -5.535  1   40.98  ? 46  THR   A HG22 1 c 2 
ATOM   2324 H HG23 . THR   B 1 34  ? 23.793 -10.818 -4.759  1   38.988 ? 46  THR   A HG23 1 c 2 
ATOM   2325 N N    . PRO   B 1 35  ? 23.905 -12.65  -0.554  1   35.347 ? 47  PRO   A N    1 ? 2 
ATOM   2326 C CA   . PRO   B 1 35  ? 23.94  -13.349 0.722   1   37.049 ? 47  PRO   A CA   1 ? 2 
ATOM   2327 C C    . PRO   B 1 35  ? 22.682 -14.109 1.059   1   36.306 ? 47  PRO   A C    1 ? 2 
ATOM   2328 O O    . PRO   B 1 35  ? 21.582 -13.703 0.699   1   34.583 ? 47  PRO   A O    1 ? 2 
ATOM   2329 C CB   . PRO   B 1 35  ? 24.181 -12.203 1.741   1   33.578 ? 47  PRO   A CB   1 ? 2 
ATOM   2330 C CG   . PRO   B 1 35  ? 23.728 -10.974 1.068   1   34.9   ? 47  PRO   A CG   1 ? 2 
ATOM   2331 C CD   . PRO   B 1 35  ? 23.943 -11.172 -0.424  1   37.388 ? 47  PRO   A CD   1 ? 2 
ATOM   2332 H HA   . PRO   B 1 35  ? 24.717 -13.963 0.729   1   37.648 ? 47  PRO   A HA   1 c 2 
ATOM   2333 H HB2  . PRO   B 1 35  ? 23.67  -12.357 2.569   1   34.408 ? 47  PRO   A HB2  1 c 2 
ATOM   2334 H HB3  . PRO   B 1 35  ? 25.136 -12.14  1.974   1   35.304 ? 47  PRO   A HB3  1 c 2 
ATOM   2335 H HG2  . PRO   B 1 35  ? 22.78  -10.813 1.256   1   33.629 ? 47  PRO   A HG2  1 c 2 
ATOM   2336 H HG3  . PRO   B 1 35  ? 24.241 -10.202 1.386   1   34.016 ? 47  PRO   A HG3  1 c 2 
ATOM   2337 H HD2  . PRO   B 1 35  ? 23.225 -10.749 -0.944  1   35.435 ? 47  PRO   A HD2  1 c 2 
ATOM   2338 H HD3  . PRO   B 1 35  ? 24.811 -10.811 -0.708  1   36.572 ? 47  PRO   A HD3  1 c 2 
ATOM   2339 N N    . MET   B 1 36  ? 22.901 -15.134 1.861   1   35.714 ? 48  MET   A N    1 ? 2 
ATOM   2340 C CA   . MET   B 1 36  ? 21.892 -16.05  2.338   1   37.449 ? 48  MET   A CA   1 ? 2 
ATOM   2341 C C    . MET   B 1 36  ? 21.489 -15.665 3.749   1   37.243 ? 48  MET   A C    1 ? 2 
ATOM   2342 O O    . MET   B 1 36  ? 22.252 -15.008 4.486   1   34.295 ? 48  MET   A O    1 ? 2 
ATOM   2343 C CB   . MET   B 1 36  ? 22.462 -17.453 2.425   1   41.353 ? 48  MET   A CB   1 ? 2 
ATOM   2344 C CG   . MET   B 1 36  ? 22.866 -18.076 1.133   1   47.56  ? 48  MET   A CG   1 ? 2 
ATOM   2345 S SD   . MET   B 1 36  ? 21.449 -18.32  0.021   1   44.37  ? 48  MET   A SD   1 ? 2 
ATOM   2346 C CE   . MET   B 1 36  ? 22.321 -19.043 -1.371  1   50.508 ? 48  MET   A CE   1 ? 2 
ATOM   2347 H H    . MET   B 1 36  ? 23.76  -15.276 2.138   1   37.084 ? 48  MET   A H    1 c 2 
ATOM   2348 H HA   . MET   B 1 36  ? 21.106 -16.026 1.736   1   37.371 ? 48  MET   A HA   1 c 2 
ATOM   2349 H HB2  . MET   B 1 36  ? 23.245 -17.43  3.016   1   42.376 ? 48  MET   A HB2  1 c 2 
ATOM   2350 H HB3  . MET   B 1 36  ? 21.792 -18.03  2.851   1   42.953 ? 48  MET   A HB3  1 c 2 
ATOM   2351 H HG2  . MET   B 1 36  ? 23.523 -17.505 0.687   1   44.958 ? 48  MET   A HG2  1 c 2 
ATOM   2352 H HG3  . MET   B 1 36  ? 23.285 -18.942 1.306   1   47.547 ? 48  MET   A HG3  1 c 2 
ATOM   2353 H HE1  . MET   B 1 36  ? 21.676 -19.347 -2.036  1   50.374 ? 48  MET   A HE1  1 c 2 
ATOM   2354 H HE2  . MET   B 1 36  ? 22.907 -18.373 -1.77   1   48.632 ? 48  MET   A HE2  1 c 2 
ATOM   2355 H HE3  . MET   B 1 36  ? 22.854 -19.799 -1.064  1   51.14  ? 48  MET   A HE3  1 c 2 
ATOM   2356 N N    . ILE   B 1 37  ? 20.296 -16.094 4.127   1   35.691 ? 49  ILE   A N    1 ? 2 
ATOM   2357 C CA   . ILE   B 1 37  ? 19.869 -15.935 5.5     1   35.808 ? 49  ILE   A CA   1 ? 2 
ATOM   2358 C C    . ILE   B 1 37  ? 20.881 -16.593 6.43    1   35.322 ? 49  ILE   A C    1 ? 2 
ATOM   2359 O O    . ILE   B 1 37  ? 21.274 -17.706 6.222   1   37.222 ? 49  ILE   A O    1 ? 2 
ATOM   2360 C CB   . ILE   B 1 37  ? 18.455 -16.451 5.723   1   36.568 ? 49  ILE   A CB   1 ? 2 
ATOM   2361 C CG1  . ILE   B 1 37  ? 17.467 -15.618 4.947   1   37.952 ? 49  ILE   A CG1  1 ? 2 
ATOM   2362 C CG2  . ILE   B 1 37  ? 18.138 -16.489 7.217   1   36.589 ? 49  ILE   A CG2  1 ? 2 
ATOM   2363 C CD1  . ILE   B 1 37  ? 16.077 -16.19  5.005   1   41.937 ? 49  ILE   A CD1  1 ? 2 
ATOM   2364 H H    . ILE   B 1 37  ? 19.74  -16.503 3.527   1   36.78  ? 49  ILE   A H    1 c 2 
ATOM   2365 H HA   . ILE   B 1 37  ? 19.864 -14.977 5.694   1   33.707 ? 49  ILE   A HA   1 c 2 
ATOM   2366 H HB   . ILE   B 1 37  ? 18.412 -17.366 5.38    1   38.667 ? 49  ILE   A HB   1 c 2 
ATOM   2367 H HG12 . ILE   B 1 37  ? 17.456 -14.71  5.313   1   36.209 ? 49  ILE   A HG12 1 c 2 
ATOM   2368 H HG13 . ILE   B 1 37  ? 17.752 -15.566 4.012   1   37.291 ? 49  ILE   A HG13 1 c 2 
ATOM   2369 H HG21 . ILE   B 1 37  ? 17.201 -16.706 7.349   1   37.576 ? 49  ILE   A HG21 1 c 2 
ATOM   2370 H HG22 . ILE   B 1 37  ? 18.325 -15.62  7.612   1   35.492 ? 49  ILE   A HG22 1 c 2 
ATOM   2371 H HG23 . ILE   B 1 37  ? 18.686 -17.163 7.652   1   38.479 ? 49  ILE   A HG23 1 c 2 
ATOM   2372 H HD11 . ILE   B 1 37  ? 16.117 -17.164 4.949   1   42.969 ? 49  ILE   A HD11 1 c 2 
ATOM   2373 H HD12 . ILE   B 1 37  ? 15.553 -15.845 4.257   1   40.414 ? 49  ILE   A HD12 1 c 2 
ATOM   2374 H HD13 . ILE   B 1 37  ? 15.65  -15.932 5.844   1   41.039 ? 49  ILE   A HD13 1 c 2 
ATOM   2375 N N    . GLY   B 1 38  ? 21.299 -15.832 7.448   1   36.139 ? 50  GLY   A N    1 ? 2 
ATOM   2376 C CA   . GLY   B 1 38  ? 22.296 -16.235 8.417   1   39.182 ? 50  GLY   A CA   1 ? 2 
ATOM   2377 C C    . GLY   B 1 38  ? 23.679 -15.643 8.162   1   39.643 ? 50  GLY   A C    1 ? 2 
ATOM   2378 O O    . GLY   B 1 38  ? 24.559 -15.795 9.028   1   40.164 ? 50  GLY   A O    1 ? 2 
ATOM   2379 H H    . GLY   B 1 38  ? 20.929 -15.002 7.542   1   34.555 ? 50  GLY   A H    1 c 2 
ATOM   2380 H HA2  . GLY   B 1 38  ? 21.99  -15.961 9.313   1   39.313 ? 50  GLY   A HA2  1 c 2 
ATOM   2381 H HA3  . GLY   B 1 38  ? 22.362 -17.219 8.416   1   40.951 ? 50  GLY   A HA3  1 c 2 
ATOM   2382 N N    . ASP   B 1 39  ? 23.977 -15.22  6.937   1   36.05  ? 51  ASP   A N    1 ? 2 
ATOM   2383 C CA   . ASP   B 1 39  ? 25.307 -14.691 6.618   1   36.291 ? 51  ASP   A CA   1 ? 2 
ATOM   2384 C C    . ASP   B 1 39  ? 25.579 -13.408 7.414   1   34.181 ? 51  ASP   A C    1 ? 2 
ATOM   2385 O O    . ASP   B 1 39  ? 24.658 -12.621 7.691   1   34.041 ? 51  ASP   A O    1 ? 2 
ATOM   2386 C CB   . ASP   B 1 39  ? 25.465 -14.362 5.135   1   35.451 ? 51  ASP   A CB   1 ? 2 
ATOM   2387 C CG   . ASP   B 1 39  ? 25.595 -15.565 4.21    1   37.101 ? 51  ASP   A CG   1 ? 2 
ATOM   2388 O OD1  . ASP   B 1 39  ? 25.716 -16.667 4.717   1   39.494 ? 51  ASP   A OD1  1 ? 2 
ATOM   2389 O OD2  . ASP   B 1 39  ? 25.574 -15.358 2.978   1   37.52  ? 51  ASP   A OD2  1 ? 2 
ATOM   2390 H H    . ASP   B 1 39  ? 23.348 -15.259 6.276   1   35.889 ? 51  ASP   A H    1 c 2 
ATOM   2391 H HA   . ASP   B 1 39  ? 25.978 -15.367 6.864   1   37.905 ? 51  ASP   A HA   1 c 2 
ATOM   2392 H HB2  . ASP   B 1 39  ? 24.689 -13.839 4.846   1   33.898 ? 51  ASP   A HB2  1 c 2 
ATOM   2393 H HB3  . ASP   B 1 39  ? 26.263 -13.805 5.017   1   35.264 ? 51  ASP   A HB3  1 c 2 
ATOM   2394 N N    . LYS   B 1 40  ? 26.854 -13.257 7.796   1   37.839 ? 52  LYS   A N    1 ? 2 
ATOM   2395 C CA   . LYS   B 1 40  ? 27.306 -12.029 8.442   1   37.946 ? 52  LYS   A CA   1 ? 2 
ATOM   2396 C C    . LYS   B 1 40  ? 27.513 -11.043 7.301   1   35.253 ? 52  LYS   A C    1 ? 2 
ATOM   2397 O O    . LYS   B 1 40  ? 28.337 -11.293 6.415   1   40.124 ? 52  LYS   A O    1 ? 2 
ATOM   2398 C CB   . LYS   B 1 40  ? 28.502 -12.353 9.35    1   42.689 ? 52  LYS   A CB   1 ? 2 
ATOM   2399 C CG   . LYS   B 1 40  ? 28.994 -11.22  10.273  1   44.566 ? 52  LYS   A CG   1 ? 2 
ATOM   2400 C CD   . LYS   B 1 40  ? 30.12  -11.557 11.27   1   47.564 ? 52  LYS   A CD   1 ? 2 
ATOM   2401 H H    . LYS   B 1 40  ? 27.457 -13.93  7.652   1   38.845 ? 52  LYS   A H    1 c 2 
ATOM   2402 H HA   . LYS   B 1 40  ? 26.572 -11.694 9.017   1   37.277 ? 52  LYS   A HA   1 c 2 
ATOM   2403 H HB2  . LYS   B 1 40  ? 28.262 -13.121 9.911   1   43.759 ? 52  LYS   A HB2  1 c 2 
ATOM   2404 H HB3  . LYS   B 1 40  ? 29.252 -12.63  8.782   1   43.311 ? 52  LYS   A HB3  1 c 2 
ATOM   2405 H HG2  . LYS   B 1 40  ? 29.298 -10.479 9.704   1   43.25  ? 52  LYS   A HG2  1 c 2 
ATOM   2406 H HG3  . LYS   B 1 40  ? 28.222 -10.889 10.782  1   43.385 ? 52  LYS   A HG3  1 c 2 
ATOM   2407 H HD2  . LYS   B 1 40  ? 31.013 -11.372 10.744  0   30     ? 52  LYS   A HD2  1 c 2 
ATOM   2408 H HD3  . LYS   B 1 40  ? 29.801 -11.799 12.085  0   30     ? 52  LYS   A HD3  1 c 2 
ATOM   2409 N N    . VAL   B 1 41  ? 26.874 -9.877  7.395   1   35.496 ? 53  VAL   A N    1 ? 2 
ATOM   2410 C CA   . VAL   B 1 41  ? 26.944 -8.892  6.324   1   32.975 ? 53  VAL   A CA   1 ? 2 
ATOM   2411 C C    . VAL   B 1 41  ? 27.629 -7.62   6.826   1   35.746 ? 53  VAL   A C    1 ? 2 
ATOM   2412 O O    . VAL   B 1 41  ? 27.334 -7.168  7.927   1   31.136 ? 53  VAL   A O    1 ? 2 
ATOM   2413 C CB   . VAL   B 1 41  ? 25.528 -8.633  5.797   1   35.842 ? 53  VAL   A CB   1 ? 2 
ATOM   2414 C CG1  . VAL   B 1 41  ? 25.485 -7.54   4.738   1   39.219 ? 53  VAL   A CG1  1 ? 2 
ATOM   2415 C CG2  . VAL   B 1 41  ? 24.94  -9.93   5.241   1   37.708 ? 53  VAL   A CG2  1 ? 2 
ATOM   2416 H H    . VAL   B 1 41  ? 26.383 -9.685  8.142   1   34.525 ? 53  VAL   A H    1 c 2 
ATOM   2417 H HA   . VAL   B 1 41  ? 27.478 -9.264  5.596   1   35.072 ? 53  VAL   A HA   1 c 2 
ATOM   2418 H HB   . VAL   B 1 41  ? 24.976 -8.345  6.561   1   35.427 ? 53  VAL   A HB   1 c 2 
ATOM   2419 H HG11 . VAL   B 1 41  ? 26.268 -7.613  4.168   1   38.394 ? 53  VAL   A HG11 1 c 2 
ATOM   2420 H HG12 . VAL   B 1 41  ? 25.479 -6.67   5.17    1   37.261 ? 53  VAL   A HG12 1 c 2 
ATOM   2421 H HG13 . VAL   B 1 41  ? 24.683 -7.639  4.199   1   36.907 ? 53  VAL   A HG13 1 c 2 
ATOM   2422 H HG21 . VAL   B 1 41  ? 24.095 -9.743  4.801   1   36.222 ? 53  VAL   A HG21 1 c 2 
ATOM   2423 H HG22 . VAL   B 1 41  ? 24.792 -10.558 5.968   1   37.953 ? 53  VAL   A HG22 1 c 2 
ATOM   2424 H HG23 . VAL   B 1 41  ? 25.559 -10.319 4.6     1   38.009 ? 53  VAL   A HG23 1 c 2 
ATOM   2425 N N    . TYR   B 1 42  ? 28.513 -7.066  5.984   1   33.399 ? 54  TYR   A N    1 ? 2 
ATOM   2426 C CA   . TYR   B 1 42  ? 29.177 -5.804  6.297   1   35.464 ? 54  TYR   A CA   1 ? 2 
ATOM   2427 C C    . TYR   B 1 42  ? 28.761 -4.762  5.259   1   32.367 ? 54  TYR   A C    1 ? 2 
ATOM   2428 O O    . TYR   B 1 42  ? 28.968 -4.983  4.042   1   32.242 ? 54  TYR   A O    1 ? 2 
ATOM   2429 C CB   . TYR   B 1 42  ? 30.691 -6.036  6.193   1   41.316 ? 54  TYR   A CB   1 ? 2 
ATOM   2430 C CG   . TYR   B 1 42  ? 31.278 -7.067  7.158   1   44.132 ? 54  TYR   A CG   1 ? 2 
ATOM   2431 C CD1  . TYR   B 1 42  ? 31.135 -8.422  6.907   1   46.241 ? 54  TYR   A CD1  1 ? 2 
ATOM   2432 C CD2  . TYR   B 1 42  ? 31.994 -6.679  8.29    1   44.946 ? 54  TYR   A CD2  1 ? 2 
ATOM   2433 C CE1  . TYR   B 1 42  ? 31.647 -9.374  7.773   1   47.605 ? 54  TYR   A CE1  1 ? 2 
ATOM   2434 C CE2  . TYR   B 1 42  ? 32.534 -7.627  9.148   1   49.839 ? 54  TYR   A CE2  1 ? 2 
ATOM   2435 C CZ   . TYR   B 1 42  ? 32.329 -8.973  8.905   1   51.489 ? 54  TYR   A CZ   1 ? 2 
ATOM   2436 O OH   . TYR   B 1 42  ? 32.849 -9.918  9.739   1   59.006 ? 54  TYR   A OH   1 ? 2 
ATOM   2437 H H    . TYR   B 1 42  ? 28.707 -7.482  5.194   1   34.583 ? 54  TYR   A H    1 c 2 
ATOM   2438 H HA   . TYR   B 1 42  ? 28.937 -5.502  7.212   1   35.365 ? 54  TYR   A HA   1 c 2 
ATOM   2439 H HB2  . TYR   B 1 42  ? 30.897 -6.317  5.274   1   40.727 ? 54  TYR   A HB2  1 c 2 
ATOM   2440 H HB3  . TYR   B 1 42  ? 31.144 -5.176  6.342   1   41.258 ? 54  TYR   A HB3  1 c 2 
ATOM   2441 H HD1  . TYR   B 1 42  ? 30.646 -8.703  6.15    1   44.584 ? 54  TYR   A HD1  1 c 2 
ATOM   2442 H HD2  . TYR   B 1 42  ? 32.116 -5.762  8.474   1   45.91  ? 54  TYR   A HD2  1 c 2 
ATOM   2443 H HE1  . TYR   B 1 42  ? 31.524 -10.291 7.596   1   48.636 ? 54  TYR   A HE1  1 c 2 
ATOM   2444 H HE2  . TYR   B 1 42  ? 32.996 -7.354  9.923   1   51.001 ? 54  TYR   A HE2  1 c 2 
ATOM   2445 H HH   . TYR   B 1 42  ? 33.651 -10.15  9.466   0   30     ? 54  TYR   A HH   1 c 2 
ATOM   2446 N N    . VAL   B 1 43  ? 28.377 -3.588  5.74    1   33.119 ? 55  VAL   A N    1 ? 2 
ATOM   2447 C CA   . VAL   B 1 43  ? 27.967 -2.519  4.839   1   32.529 ? 55  VAL   A CA   1 ? 2 
ATOM   2448 C C    . VAL   B 1 43  ? 28.479 -1.162  5.319   1   34.315 ? 55  VAL   A C    1 ? 2 
ATOM   2449 O O    . VAL   B 1 43  ? 28.793 -0.981  6.495   1   36.374 ? 55  VAL   A O    1 ? 2 
ATOM   2450 C CB   . VAL   B 1 43  ? 26.428 -2.444  4.713   1   31.993 ? 55  VAL   A CB   1 ? 2 
ATOM   2451 C CG1  . VAL   B 1 43  ? 25.777 -3.733  4.226   1   29.456 ? 55  VAL   A CG1  1 ? 2 
ATOM   2452 C CG2  . VAL   B 1 43  ? 25.783 -2.014  6.01    1   30.47  ? 55  VAL   A CG2  1 ? 2 
ATOM   2453 H H    . VAL   B 1 43  ? 28.367 -3.44   6.642   1   33.217 ? 55  VAL   A H    1 c 2 
ATOM   2454 H HA   . VAL   B 1 43  ? 28.343 -2.696  3.957   1   33.309 ? 55  VAL   A HA   1 c 2 
ATOM   2455 H HB   . VAL   B 1 43  ? 26.23  -1.747  4.044   1   30.865 ? 55  VAL   A HB   1 c 2 
ATOM   2456 H HG11 . VAL   B 1 43  ? 25.855 -4.415  4.913   1   30.335 ? 55  VAL   A HG11 1 c 2 
ATOM   2457 H HG12 . VAL   B 1 43  ? 26.222 -4.037  3.417   1   30.494 ? 55  VAL   A HG12 1 c 2 
ATOM   2458 H HG13 . VAL   B 1 43  ? 24.837 -3.571  4.036   1   28.888 ? 55  VAL   A HG13 1 c 2 
ATOM   2459 H HG21 . VAL   B 1 43  ? 24.825 -2.161  5.959   1   29.668 ? 55  VAL   A HG21 1 c 2 
ATOM   2460 H HG22 . VAL   B 1 43  ? 25.955 -1.07   6.164   1   31.145 ? 55  VAL   A HG22 1 c 2 
ATOM   2461 H HG23 . VAL   B 1 43  ? 26.15  -2.533  6.744   1   31.523 ? 55  VAL   A HG23 1 c 2 
ATOM   2462 N N    . HIS   B 1 44  ? 28.514 -0.196  4.398   1   36.875 ? 56  HIS   A N    1 ? 2 
ATOM   2463 C CA   . HIS   B 1 44  ? 28.436 1.211   4.714   1   35.92  ? 56  HIS   A CA   1 ? 2 
ATOM   2464 C C    . HIS   B 1 44  ? 27.066 1.709   4.28    1   33.165 ? 56  HIS   A C    1 ? 2 
ATOM   2465 O O    . HIS   B 1 44  ? 26.552 1.221   3.312   1   31.506 ? 56  HIS   A O    1 ? 2 
ATOM   2466 C CB   . HIS   B 1 44  ? 29.602 1.996   4.089   1   39.933 ? 56  HIS   A CB   1 ? 2 
ATOM   2467 C CG   . HIS   B 1 44  ? 30.769 2.045   4.998   1   43.054 ? 56  HIS   A CG   1 ? 2 
ATOM   2468 N ND1  . HIS   B 1 44  ? 30.615 2.606   6.263   1   44.565 ? 56  HIS   A ND1  1 ? 2 
ATOM   2469 C CD2  . HIS   B 1 44  ? 32     1.602   4.908   1   44     ? 56  HIS   A CD2  1 ? 2 
ATOM   2470 C CE1  . HIS   B 1 44  ? 31.783 2.567   6.866   1   47.85  ? 56  HIS   A CE1  1 ? 2 
ATOM   2471 N NE2  . HIS   B 1 44  ? 32.645 2.004   6.045   1   47.808 ? 56  HIS   A NE2  1 ? 2 
ATOM   2472 H H    . HIS   B 1 44  ? 28.592 -0.436  3.52    1   35.917 ? 56  HIS   A H    1 c 2 
ATOM   2473 H HA   . HIS   B 1 44  ? 28.492 1.299   5.695   1   36.694 ? 56  HIS   A HA   1 c 2 
ATOM   2474 H HB2  . HIS   B 1 44  ? 29.865 1.563   3.248   1   39.95  ? 56  HIS   A HB2  1 c 2 
ATOM   2475 H HB3  . HIS   B 1 44  ? 29.304 2.91    3.895   1   39.885 ? 56  HIS   A HB3  1 c 2 
ATOM   2476 H HD1  . HIS   B 1 44  ? 29.865 2.892   6.658   0   30     ? 56  HIS   A HD1  1 c 2 
ATOM   2477 H HD2  . HIS   B 1 44  ? 32.401 1.208   4.159   1   45.199 ? 56  HIS   A HD2  1 c 2 
ATOM   2478 H HE1  . HIS   B 1 44  ? 31.97  2.89    7.731   1   48.388 ? 56  HIS   A HE1  1 c 2 
ATOM   2479 H HE2  . HIS   B 1 44  ? 33.505 1.904   6.21    0   30     ? 56  HIS   A HE2  1 c 2 
ATOM   2480 N N    . TYR   B 1 45  ? 26.47  2.646   5.003   1   31.344 ? 57  TYR   A N    1 ? 2 
ATOM   2481 C CA   . TYR   B 1 45  ? 25.177 3.182   4.622   1   29.596 ? 57  TYR   A CA   1 ? 2 
ATOM   2482 C C    . TYR   B 1 45  ? 25.019 4.629   5.123   1   31.109 ? 57  TYR   A C    1 ? 2 
ATOM   2483 O O    . TYR   B 1 45  ? 25.584 5.087   6.105   1   31.446 ? 57  TYR   A O    1 ? 2 
ATOM   2484 C CB   . TYR   B 1 45  ? 23.976 2.34    5.116   1   28.272 ? 57  TYR   A CB   1 ? 2 
ATOM   2485 C CG   . TYR   B 1 45  ? 23.742 2.536   6.61    1   25.466 ? 57  TYR   A CG   1 ? 2 
ATOM   2486 C CD1  . TYR   B 1 45  ? 24.453 1.775   7.541   1   30.105 ? 57  TYR   A CD1  1 ? 2 
ATOM   2487 C CD2  . TYR   B 1 45  ? 22.89  3.499   7.108   1   26.128 ? 57  TYR   A CD2  1 ? 2 
ATOM   2488 C CE1  . TYR   B 1 45  ? 24.34  2.035   8.916   1   29.629 ? 57  TYR   A CE1  1 ? 2 
ATOM   2489 C CE2  . TYR   B 1 45  ? 22.735 3.735   8.474   1   27.393 ? 57  TYR   A CE2  1 ? 2 
ATOM   2490 C CZ   . TYR   B 1 45  ? 23.46  2.975   9.391   1   30.422 ? 57  TYR   A CZ   1 ? 2 
ATOM   2491 O OH   . TYR   B 1 45  ? 23.234 3.251   10.711  1   29.413 ? 57  TYR   A OH   1 ? 2 
ATOM   2492 H H    . TYR   B 1 45  ? 26.877 2.964   5.757   1   32.638 ? 57  TYR   A H    1 c 2 
ATOM   2493 H HA   . TYR   B 1 45  ? 25.144 3.201   3.631   1   29.816 ? 57  TYR   A HA   1 c 2 
ATOM   2494 H HB2  . TYR   B 1 45  ? 23.17  2.61    4.622   1   26.619 ? 57  TYR   A HB2  1 c 2 
ATOM   2495 H HB3  . TYR   B 1 45  ? 24.155 1.39    4.936   1   27.091 ? 57  TYR   A HB3  1 c 2 
ATOM   2496 H HD1  . TYR   B 1 45  ? 25.083 1.139   7.239   1   29.116 ? 57  TYR   A HD1  1 c 2 
ATOM   2497 H HD2  . TYR   B 1 45  ? 22.403 4.032   6.5     1   25.731 ? 57  TYR   A HD2  1 c 2 
ATOM   2498 H HE1  . TYR   B 1 45  ? 24.813 1.498   9.528   1   30.906 ? 57  TYR   A HE1  1 c 2 
ATOM   2499 H HE2  . TYR   B 1 45  ? 22.132 4.391   8.774   1   27.848 ? 57  TYR   A HE2  1 c 2 
ATOM   2500 H HH   . TYR   B 1 45  ? 23.764 3.871   10.977  0   30     ? 57  TYR   A HH   1 c 2 
ATOM   2501 N N    . LYS   B 1 46  ? 24.087 5.314   4.467   1   31.28  ? 58  LYS   A N    1 ? 2 
ATOM   2502 C CA   . LYS   B 1 46  ? 23.542 6.581   4.908   1   31.976 ? 58  LYS   A CA   1 ? 2 
ATOM   2503 C C    . LYS   B 1 46  ? 22.034 6.456   4.798   1   32.723 ? 58  LYS   A C    1 ? 2 
ATOM   2504 O O    . LYS   B 1 46  ? 21.494 5.855   3.909   1   31.343 ? 58  LYS   A O    1 ? 2 
ATOM   2505 C CB   . LYS   B 1 46  ? 23.829 7.807   4.03    1   35.73  ? 58  LYS   A CB   1 ? 2 
ATOM   2506 C CG   . LYS   B 1 46  ? 25.163 7.952   3.545   1   39.272 ? 58  LYS   A CG   1 ? 2 
ATOM   2507 C CD   . LYS   B 1 46  ? 25.489 9.258   2.799   1   39.605 ? 58  LYS   A CD   1 ? 2 
ATOM   2508 C CE   . LYS   B 1 46  ? 26.903 9.223   2.363   1   45.377 ? 58  LYS   A CE   1 ? 2 
ATOM   2509 N NZ   . LYS   B 1 46  ? 27.21  10.487  1.702   1   44.997 ? 58  LYS   A NZ   1 ? 2 
ATOM   2510 H H    . LYS   B 1 46  ? 23.771 4.965   3.684   1   30.415 ? 58  LYS   A H    1 c 2 
ATOM   2511 H HA   . LYS   B 1 46  ? 23.801 6.745   5.848   1   33.378 ? 58  LYS   A HA   1 c 2 
ATOM   2512 H HB2  . LYS   B 1 46  ? 23.228 7.78    3.255   1   34.941 ? 58  LYS   A HB2  1 c 2 
ATOM   2513 H HB3  . LYS   B 1 46  ? 23.605 8.611   4.545   1   36.361 ? 58  LYS   A HB3  1 c 2 
ATOM   2514 H HG2  . LYS   B 1 46  ? 25.774 7.87    4.31    1   39.14  ? 58  LYS   A HG2  1 c 2 
ATOM   2515 H HG3  . LYS   B 1 46  ? 25.351 7.197   2.945   1   37.809 ? 58  LYS   A HG3  1 c 2 
ATOM   2516 H HD2  . LYS   B 1 46  ? 24.906 9.349   2.015   1   40.376 ? 58  LYS   A HD2  1 c 2 
ATOM   2517 H HD3  . LYS   B 1 46  ? 25.348 10.024  3.396   1   41.745 ? 58  LYS   A HD3  1 c 2 
ATOM   2518 H HE2  . LYS   B 1 46  ? 27.49  9.107   3.131   1   44.386 ? 58  LYS   A HE2  1 c 2 
ATOM   2519 H HE3  . LYS   B 1 46  ? 27.047 8.487   1.741   1   43.136 ? 58  LYS   A HE3  1 c 2 
ATOM   2520 H HZ1  . LYS   B 1 46  ? 27.042 11.178  2.262   1   46.581 ? 58  LYS   A HZ1  1 c 2 
ATOM   2521 H HZ2  . LYS   B 1 46  ? 26.702 10.576  0.957   1   45.538 ? 58  LYS   A HZ2  1 c 2 
ATOM   2522 H HZ3  . LYS   B 1 46  ? 28.084 10.502  1.469   1   47.54  ? 58  LYS   A HZ3  1 c 2 
ATOM   2523 N N    . GLY   B 1 47  ? 21.339 6.953   5.789   1   29.848 ? 59  GLY   A N    1 ? 2 
ATOM   2524 C CA   . GLY   B 1 47  ? 19.91  6.818   5.825   1   29.479 ? 59  GLY   A CA   1 ? 2 
ATOM   2525 C C    . GLY   B 1 47  ? 19.253 8.12    6.265   1   28.027 ? 59  GLY   A C    1 ? 2 
ATOM   2526 O O    . GLY   B 1 47  ? 19.867 8.935   6.944   1   30.62  ? 59  GLY   A O    1 ? 2 
ATOM   2527 H H    . GLY   B 1 47  ? 21.761 7.393   6.469   1   31.752 ? 59  GLY   A H    1 c 2 
ATOM   2528 H HA2  . GLY   B 1 47  ? 19.582 6.57    4.932   1   28.059 ? 59  GLY   A HA2  1 c 2 
ATOM   2529 H HA3  . GLY   B 1 47  ? 19.668 6.097   6.452   1   28.032 ? 59  GLY   A HA3  1 c 2 
ATOM   2530 N N    . LYS   B 1 48  ? 17.987 8.321   5.862   1   24.814 ? 60  LYS   A N    1 ? 2 
ATOM   2531 C CA   . LYS   B 1 48  ? 17.268 9.488   6.246   1   27.145 ? 60  LYS   A CA   1 ? 2 
ATOM   2532 C C    . LYS   B 1 48  ? 15.77  9.24    6.188   1   27.669 ? 60  LYS   A C    1 ? 2 
ATOM   2533 O O    . LYS   B 1 48  ? 15.342 8.299   5.502   1   26.104 ? 60  LYS   A O    1 ? 2 
ATOM   2534 C CB   . LYS   B 1 48  ? 17.629 10.726  5.446   1   29.844 ? 60  LYS   A CB   1 ? 2 
ATOM   2535 C CG   . LYS   B 1 48  ? 17.396 10.609  3.92    1   29.795 ? 60  LYS   A CG   1 ? 2 
ATOM   2536 C CD   . LYS   B 1 48  ? 17.704 11.868  3.185   1   35.809 ? 60  LYS   A CD   1 ? 2 
ATOM   2537 C CE   . LYS   B 1 48  ? 17.561 11.651  1.726   1   40.504 ? 60  LYS   A CE   1 ? 2 
ATOM   2538 N NZ   . LYS   B 1 48  ? 17.539 13.041  1.18    1   47.237 ? 60  LYS   A NZ   1 ? 2 
ATOM   2539 H H    . LYS   B 1 48  ? 17.577 7.701   5.331   1   24.744 ? 60  LYS   A H    1 c 2 
ATOM   2540 H HA   . LYS   B 1 48  ? 17.498 9.68    7.19    1   28.106 ? 60  LYS   A HA   1 c 2 
ATOM   2541 H HB2  . LYS   B 1 48  ? 17.102 11.482  5.782   1   30.542 ? 60  LYS   A HB2  1 c 2 
ATOM   2542 H HB3  . LYS   B 1 48  ? 18.575 10.933  5.599   1   30.542 ? 60  LYS   A HB3  1 c 2 
ATOM   2543 H HG2  . LYS   B 1 48  ? 17.96  9.886   3.57    1   29.927 ? 60  LYS   A HG2  1 c 2 
ATOM   2544 H HG3  . LYS   B 1 48  ? 16.458 10.366  3.761   1   29.823 ? 60  LYS   A HG3  1 c 2 
ATOM   2545 H HD2  . LYS   B 1 48  ? 17.087 12.575  3.475   1   36.632 ? 60  LYS   A HD2  1 c 2 
ATOM   2546 H HD3  . LYS   B 1 48  ? 18.624 12.149  3.385   1   36.83  ? 60  LYS   A HD3  1 c 2 
ATOM   2547 H HE2  . LYS   B 1 48  ? 18.318 11.158  1.364   1   40.029 ? 60  LYS   A HE2  1 c 2 
ATOM   2548 H HE3  . LYS   B 1 48  ? 16.729 11.192  1.513   1   39.127 ? 60  LYS   A HE3  1 c 2 
ATOM   2549 H HZ1  . LYS   B 1 48  ? 18.23  13.523  1.515   1   46.843 ? 60  LYS   A HZ1  1 c 2 
ATOM   2550 H HZ2  . LYS   B 1 48  ? 16.758 13.448  1.398   1   45.91  ? 60  LYS   A HZ2  1 c 2 
ATOM   2551 H HZ3  . LYS   B 1 48  ? 17.612 13.012  0.278   1   46.323 ? 60  LYS   A HZ3  1 c 2 
ATOM   2552 N N    . LEU   B 1 49  ? 15.046 10.104  6.923   1   26.75  ? 61  LEU   A N    1 ? 2 
ATOM   2553 C CA   . LEU   B 1 49  ? 13.606 10.156  6.753   1   31.192 ? 61  LEU   A CA   1 ? 2 
ATOM   2554 C C    . LEU   B 1 49  ? 13.406 10.744  5.36    1   38.946 ? 61  LEU   A C    1 ? 2 
ATOM   2555 O O    . LEU   B 1 49  ? 14.203 11.578  4.91    1   36.154 ? 61  LEU   A O    1 ? 2 
ATOM   2556 C CB   . LEU   B 1 49  ? 12.886 10.931  7.825   1   35.14  ? 61  LEU   A CB   1 ? 2 
ATOM   2557 C CG   . LEU   B 1 49  ? 13.147 10.457  9.254   1   38.392 ? 61  LEU   A CG   1 ? 2 
ATOM   2558 C CD1  . LEU   B 1 49  ? 12.331 11.275  10.284  1   45.56  ? 61  LEU   A CD1  1 ? 2 
ATOM   2559 C CD2  . LEU   B 1 49  ? 12.862 8.962   9.277   1   39.591 ? 61  LEU   A CD2  1 ? 2 
ATOM   2560 H H    . LEU   B 1 49  ? 15.451 10.659  7.526   1   29.348 ? 61  LEU   A H    1 c 2 
ATOM   2561 H HA   . LEU   B 1 49  ? 13.264 9.227   6.743   1   30.739 ? 61  LEU   A HA   1 c 2 
ATOM   2562 H HB2  . LEU   B 1 49  ? 13.155 11.876  7.756   1   36.4   ? 61  LEU   A HB2  1 c 2 
ATOM   2563 H HB3  . LEU   B 1 49  ? 11.918 10.876  7.649   1   35.112 ? 61  LEU   A HB3  1 c 2 
ATOM   2564 H HG   . LEU   B 1 49  ? 14.109 10.589  9.453   1   39.39  ? 61  LEU   A HG   1 c 2 
ATOM   2565 H HD11 . LEU   B 1 49  ? 12.58  12.213  10.225  1   45.127 ? 61  LEU   A HD11 1 c 2 
ATOM   2566 H HD12 . LEU   B 1 49  ? 12.516 10.947  11.18   1   44.335 ? 61  LEU   A HD12 1 c 2 
ATOM   2567 H HD13 . LEU   B 1 49  ? 11.382 11.181  10.096  1   43.779 ? 61  LEU   A HD13 1 c 2 
ATOM   2568 H HD21 . LEU   B 1 49  ? 13.634 8.478   8.939   1   37.795 ? 61  LEU   A HD21 1 c 2 
ATOM   2569 H HD22 . LEU   B 1 49  ? 12.088 8.767   8.722   1   38.034 ? 61  LEU   A HD22 1 c 2 
ATOM   2570 H HD23 . LEU   B 1 49  ? 12.682 8.681   10.19   1   39.13  ? 61  LEU   A HD23 1 c 2 
ATOM   2571 N N    . SER   B 1 50  ? 12.401 10.287  4.627   1   37.407 ? 62  SER   A N    1 ? 2 
ATOM   2572 C CA   . SER   B 1 50  ? 12.243 10.839  3.275   1   43.322 ? 62  SER   A CA   1 ? 2 
ATOM   2573 C C    . SER   B 1 50  ? 12.046 12.365  3.33    1   45.23  ? 62  SER   A C    1 ? 2 
ATOM   2574 O O    . SER   B 1 50  ? 12.507 13.079  2.443   1   59.522 ? 62  SER   A O    1 ? 2 
ATOM   2575 C CB   . SER   B 1 50  ? 11.099 10.14   2.555   1   45.944 ? 62  SER   A CB   1 ? 2 
ATOM   2576 O OG   . SER   B 1 50  ? 9.889  10.567  3.171   1   45.764 ? 62  SER   A OG   1 ? 2 
ATOM   2577 H H    . SER   B 1 50  ? 11.821 9.654   4.941   1   37.957 ? 62  SER   A H    1 c 2 
ATOM   2578 H HA   . SER   B 1 50  ? 13.078 10.657  2.772   1   42.48  ? 62  SER   A HA   1 c 2 
ATOM   2579 H HB2  . SER   B 1 50  ? 11.099 10.386  1.61    1   45.597 ? 62  SER   A HB2  1 c 2 
ATOM   2580 H HB3  . SER   B 1 50  ? 11.194 9.172   2.637   1   43.705 ? 62  SER   A HB3  1 c 2 
ATOM   2581 H HG   . SER   B 1 50  ? 9.27   10.102  2.742   0   30     ? 62  SER   A HG   1 c 2 
ATOM   2582 N N    . ASN   B 1 51  ? 11.355 12.832  4.372   1   54.637 ? 63  ASN   A N    1 ? 2 
ATOM   2583 C CA   . ASN   B 1 51  ? 11.222 14.236  4.784   1   58.748 ? 63  ASN   A CA   1 ? 2 
ATOM   2584 C C    . ASN   B 1 51  ? 12.578 14.926  4.955   1   61.522 ? 63  ASN   A C    1 ? 2 
ATOM   2585 O O    . ASN   B 1 51  ? 12.736 16.079  4.57    1   71.218 ? 63  ASN   A O    1 ? 2 
ATOM   2586 C CB   . ASN   B 1 51  ? 10.465 14.351  6.1     1   48.924 ? 63  ASN   A CB   1 ? 2 
ATOM   2587 H H    . ASN   B 1 51  ? 10.909 12.212  4.874   1   51.643 ? 63  ASN   A H    1 c 2 
ATOM   2588 H HA   . ASN   B 1 51  ? 10.706 14.715  4.097   1   57.445 ? 63  ASN   A HA   1 c 2 
ATOM   2589 H HB2  . ASN   B 1 51  ? 11.108 14.394  6.857   0   30     ? 63  ASN   A HB2  1 c 2 
ATOM   2590 H HB3  . ASN   B 1 51  ? 9.507  14.327  5.936   0   30     ? 63  ASN   A HB3  1 c 2 
ATOM   2591 N N    . GLY   B 1 52  ? 13.556 14.238  5.551   1   68.042 ? 64  GLY   A N    1 ? 2 
ATOM   2592 C CA   . GLY   B 1 52  ? 14.942 14.697  5.621   1   61.447 ? 64  GLY   A CA   1 ? 2 
ATOM   2593 C C    . GLY   B 1 52  ? 15.238 15.337  6.971   1   70.741 ? 64  GLY   A C    1 ? 2 
ATOM   2594 O O    . GLY   B 1 52  ? 16.117 16.193  7.082   1   70.13  ? 64  GLY   A O    1 ? 2 
ATOM   2595 H H    . GLY   B 1 52  ? 13.35  13.434  5.932   1   62.674 ? 64  GLY   A H    1 c 2 
ATOM   2596 H HA2  . GLY   B 1 52  ? 15.544 13.928  5.481   1   63.629 ? 64  GLY   A HA2  1 c 2 
ATOM   2597 H HA3  . GLY   B 1 52  ? 15.108 15.349  4.901   1   66.042 ? 64  GLY   A HA3  1 c 2 
ATOM   2598 N N    . LYS   B 1 53  ? 14.478 14.912  7.991   1   67.618 ? 65  LYS   A N    1 ? 2 
ATOM   2599 C CA   . LYS   B 1 53  ? 14.459 15.56   9.301   1   64.081 ? 65  LYS   A CA   1 ? 2 
ATOM   2600 C C    . LYS   B 1 53  ? 15.555 14.964  10.226  1   58.062 ? 65  LYS   A C    1 ? 2 
ATOM   2601 O O    . LYS   B 1 53  ? 16.054 15.616  11.144  1   55.369 ? 65  LYS   A O    1 ? 2 
ATOM   2602 C CB   . LYS   B 1 53  ? 12.988 15.52   9.767   1   60.298 ? 65  LYS   A CB   1 ? 2 
ATOM   2603 H H    . LYS   B 1 53  ? 13.958 14.17   7.87    1   65.089 ? 65  LYS   A H    1 c 2 
ATOM   2604 H HA   . LYS   B 1 53  ? 14.68  16.516  9.164   1   65.109 ? 65  LYS   A HA   1 c 2 
ATOM   2605 H HB2  . LYS   B 1 53  ? 12.988 15.323  10.716  0   30     ? 65  LYS   A HB2  1 c 2 
ATOM   2606 H HB3  . LYS   B 1 53  ? 12.416 15.579  8.966   0   30     ? 65  LYS   A HB3  1 c 2 
ATOM   2607 N N    . LYS   B 1 54  ? 15.976 13.733  9.937   1   43.529 ? 66  LYS   A N    1 ? 2 
ATOM   2608 C CA   . LYS   B 1 54  ? 16.957 12.96   10.678  1   42.551 ? 66  LYS   A CA   1 ? 2 
ATOM   2609 C C    . LYS   B 1 54  ? 17.779 12.238  9.605   1   45.116 ? 66  LYS   A C    1 ? 2 
ATOM   2610 O O    . LYS   B 1 54  ? 17.192 11.79   8.61    1   46.273 ? 66  LYS   A O    1 ? 2 
ATOM   2611 C CB   . LYS   B 1 54  ? 16.243 11.893  11.513  1   39.495 ? 66  LYS   A CB   1 ? 2 
ATOM   2612 H H    . LYS   B 1 54  ? 15.604 13.331  9.206   1   44.761 ? 66  LYS   A H    1 c 2 
ATOM   2613 H HA   . LYS   B 1 54  ? 17.529 13.561  11.22   1   44.96  ? 66  LYS   A HA   1 c 2 
ATOM   2614 H HB2  . LYS   B 1 54  ? 16.898 11.332  11.966  0   30     ? 66  LYS   A HB2  1 c 2 
ATOM   2615 H HB3  . LYS   B 1 54  ? 15.264 12.03   11.419  0   30     ? 66  LYS   A HB3  1 c 2 
ATOM   2616 N N    . PHE   B 1 55  ? 19.072 12.099  9.845   1   39.807 ? 67  PHE   A N    1 ? 2 
ATOM   2617 C CA   . PHE   B 1 55  ? 20.054 11.578  8.926   1   37.563 ? 67  PHE   A CA   1 ? 2 
ATOM   2618 C C    . PHE   B 1 55  ? 20.985 10.738  9.769   1   35.715 ? 67  PHE   A C    1 ? 2 
ATOM   2619 O O    . PHE   B 1 55  ? 21.242 11.157  10.893  1   40.968 ? 67  PHE   A O    1 ? 2 
ATOM   2620 C CB   . PHE   B 1 55  ? 20.714 12.799  8.27    1   41.271 ? 67  PHE   A CB   1 ? 2 
ATOM   2621 C CG   . PHE   B 1 55  ? 21.607 12.414  7.095   1   47.668 ? 67  PHE   A CG   1 ? 2 
ATOM   2622 C CD1  . PHE   B 1 55  ? 22.959 12.09   7.282   1   52.335 ? 67  PHE   A CD1  1 ? 2 
ATOM   2623 C CD2  . PHE   B 1 55  ? 21.117 12.445  5.781   1   54.7   ? 67  PHE   A CD2  1 ? 2 
ATOM   2624 C CE1  . PHE   B 1 55  ? 23.775 11.738  6.195   1   55.427 ? 67  PHE   A CE1  1 ? 2 
ATOM   2625 C CE2  . PHE   B 1 55  ? 21.943 12.14   4.696   1   56.682 ? 67  PHE   A CE2  1 ? 2 
ATOM   2626 C CZ   . PHE   B 1 55  ? 23.264 11.772  4.905   1   56.359 ? 67  PHE   A CZ   1 ? 2 
ATOM   2627 H H    . PHE   B 1 55  ? 19.37  12.359  10.67   1   42.08  ? 67  PHE   A H    1 c 2 
ATOM   2628 H HA   . PHE   B 1 55  ? 19.61  11.018  8.238   1   36.123 ? 67  PHE   A HA   1 c 2 
ATOM   2629 H HB2  . PHE   B 1 55  ? 20.011 13.408  7.954   1   42.495 ? 67  PHE   A HB2  1 c 2 
ATOM   2630 H HB3  . PHE   B 1 55  ? 21.253 13.269  8.944   1   44.032 ? 67  PHE   A HB3  1 c 2 
ATOM   2631 H HD1  . PHE   B 1 55  ? 23.309 12.055  8.158   1   52.946 ? 67  PHE   A HD1  1 c 2 
ATOM   2632 H HD2  . PHE   B 1 55  ? 20.218 12.691  5.629   1   52.521 ? 67  PHE   A HD2  1 c 2 
ATOM   2633 H HE1  . PHE   B 1 55  ? 24.679 11.507  6.34    1   55.923 ? 67  PHE   A HE1  1 c 2 
ATOM   2634 H HE2  . PHE   B 1 55  ? 21.589 12.145  3.821   1   55.473 ? 67  PHE   A HE2  1 c 2 
ATOM   2635 H HZ   . PHE   B 1 55  ? 23.815 11.554  4.171   1   56.286 ? 67  PHE   A HZ   1 c 2 
ATOM   2636 N N    . ASP   B 1 56  ? 21.445 9.626   9.258   1   33.619 ? 68  ASP   A N    1 ? 2 
ATOM   2637 C CA   . ASP   B 1 56  ? 22.268 8.677   9.964   1   33.608 ? 68  ASP   A CA   1 ? 2 
ATOM   2638 C C    . ASP   B 1 56  ? 23.31  8.125   9       1   35.8   ? 68  ASP   A C    1 ? 2 
ATOM   2639 O O    . ASP   B 1 56  ? 22.964 7.752   7.909   1   35.083 ? 68  ASP   A O    1 ? 2 
ATOM   2640 C CB   . ASP   B 1 56  ? 21.404 7.548   10.492  1   33.158 ? 68  ASP   A CB   1 ? 2 
ATOM   2641 C CG   . ASP   B 1 56  ? 22.141 6.386   11.144  1   33.045 ? 68  ASP   A CG   1 ? 2 
ATOM   2642 O OD1  . ASP   B 1 56  ? 23.099 6.654   11.927  1   36.286 ? 68  ASP   A OD1  1 ? 2 
ATOM   2643 O OD2  . ASP   B 1 56  ? 21.666 5.276   10.988  1   34.79  ? 68  ASP   A OD2  1 ? 2 
ATOM   2644 H H    . ASP   B 1 56  ? 21.229 9.436   8.391   1   32.712 ? 68  ASP   A H    1 c 2 
ATOM   2645 H HA   . ASP   B 1 56  ? 22.72  9.133   10.71   1   36.083 ? 68  ASP   A HA   1 c 2 
ATOM   2646 H HB2  . ASP   B 1 56  ? 20.785 7.92    11.154  1   33.311 ? 68  ASP   A HB2  1 c 2 
ATOM   2647 H HB3  . ASP   B 1 56  ? 20.871 7.192   9.75    1   31.316 ? 68  ASP   A HB3  1 c 2 
ATOM   2648 N N    . SER   B 1 57  ? 24.577 7.984   9.412   1   39.732 ? 69  SER   A N    1 ? 2 
ATOM   2649 C CA   . SER   B 1 57  ? 25.49  7.189   8.586   1   42.84  ? 69  SER   A CA   1 ? 2 
ATOM   2650 C C    . SER   B 1 57  ? 26.601 6.479   9.369   1   40.187 ? 69  SER   A C    1 ? 2 
ATOM   2651 O O    . SER   B 1 57  ? 27.19  7.061   10.293  1   41.089 ? 69  SER   A O    1 ? 2 
ATOM   2652 C CB   . SER   B 1 57  ? 26.128 7.944   7.481   1   46.61  ? 69  SER   A CB   1 ? 2 
ATOM   2653 O OG   . SER   B 1 57  ? 26.81  9.001   8.042   1   49.58  ? 69  SER   A OG   1 ? 2 
ATOM   2654 H H    . SER   B 1 57  ? 24.873 8.37    10.185  1   41.351 ? 69  SER   A H    1 c 2 
ATOM   2655 H HA   . SER   B 1 57  ? 24.942 6.478   8.169   1   39.889 ? 69  SER   A HA   1 c 2 
ATOM   2656 H HB2  . SER   B 1 57  ? 26.746 7.366   6.994   1   45.91  ? 69  SER   A HB2  1 c 2 
ATOM   2657 H HB3  . SER   B 1 57  ? 25.445 8.274   6.867   1   45.164 ? 69  SER   A HB3  1 c 2 
ATOM   2658 H HG   . SER   B 1 57  ? 27.155 9.539   7.544   0   30     ? 69  SER   A HG   1 c 2 
ATOM   2659 N N    . SER   B 1 58  ? 26.892 5.276   8.856   1   40.132 ? 70  SER   A N    1 ? 2 
ATOM   2660 C CA   . SER   B 1 58  ? 28.011 4.46    9.298   1   43.204 ? 70  SER   A CA   1 ? 2 
ATOM   2661 C C    . SER   B 1 58  ? 29.309 5.189   9.064   1   45.398 ? 70  SER   A C    1 ? 2 
ATOM   2662 O O    . SER   B 1 58  ? 30.277 4.984   9.803   1   48.538 ? 70  SER   A O    1 ? 2 
ATOM   2663 C CB   . SER   B 1 58  ? 27.999 3.155   8.578   1   39.782 ? 70  SER   A CB   1 ? 2 
ATOM   2664 O OG   . SER   B 1 58  ? 28.189 3.352   7.176   1   42.773 ? 70  SER   A OG   1 ? 2 
ATOM   2665 H H    . SER   B 1 58  ? 26.359 4.947   8.19    1   38.719 ? 70  SER   A H    1 c 2 
ATOM   2666 H HA   . SER   B 1 58  ? 27.913 4.29    10.269  1   43.026 ? 70  SER   A HA   1 c 2 
ATOM   2667 H HB2  . SER   B 1 58  ? 28.712 2.587   8.927   1   41.994 ? 70  SER   A HB2  1 c 2 
ATOM   2668 H HB3  . SER   B 1 58  ? 27.146 2.707   8.733   1   39.424 ? 70  SER   A HB3  1 c 2 
ATOM   2669 H HG   . SER   B 1 58  ? 28.173 2.601   6.779   0   30     ? 70  SER   A HG   1 c 2 
ATOM   2670 N N    . HIS   B 1 59  ? 29.371 6.035   8.029   1   44.826 ? 71  HIS   A N    1 ? 2 
ATOM   2671 C CA   . HIS   B 1 59  ? 30.586 6.823   7.803   1   50.737 ? 71  HIS   A CA   1 ? 2 
ATOM   2672 C C    . HIS   B 1 59  ? 30.82  7.77    8.976   1   56.144 ? 71  HIS   A C    1 ? 2 
ATOM   2673 O O    . HIS   B 1 59  ? 31.969 8.018   9.324   1   59.809 ? 71  HIS   A O    1 ? 2 
ATOM   2674 C CB   . HIS   B 1 59  ? 30.498 7.568   6.469   1   52.189 ? 71  HIS   A CB   1 ? 2 
ATOM   2675 C CG   . HIS   B 1 59  ? 30.571 6.64    5.307   1   56.135 ? 71  HIS   A CG   1 ? 2 
ATOM   2676 N ND1  . HIS   B 1 59  ? 31.694 5.865   5.101   1   59.006 ? 71  HIS   A ND1  1 ? 2 
ATOM   2677 C CD2  . HIS   B 1 59  ? 29.681 6.305   4.355   1   55.255 ? 71  HIS   A CD2  1 ? 2 
ATOM   2678 C CE1  . HIS   B 1 59  ? 31.495 5.099   4.04    1   57.355 ? 71  HIS   A CE1  1 ? 2 
ATOM   2679 N NE2  . HIS   B 1 59  ? 30.271 5.359   3.579   1   54.332 ? 71  HIS   A NE2  1 ? 2 
ATOM   2680 H H    . HIS   B 1 59  ? 28.669 6.115   7.449   1   44.195 ? 71  HIS   A H    1 c 2 
ATOM   2681 H HA   . HIS   B 1 59  ? 31.349 6.195   7.759   1   51.727 ? 71  HIS   A HA   1 c 2 
ATOM   2682 H HB2  . HIS   B 1 59  ? 29.649 8.061   6.435   1   52.014 ? 71  HIS   A HB2  1 c 2 
ATOM   2683 H HB3  . HIS   B 1 59  ? 31.237 8.212   6.414   1   55.433 ? 71  HIS   A HB3  1 c 2 
ATOM   2684 H HD1  . HIS   B 1 59  ? 32.431 5.89    5.62    0   30     ? 71  HIS   A HD1  1 c 2 
ATOM   2685 H HD2  . HIS   B 1 59  ? 28.819 6.656   4.239   1   53.517 ? 71  HIS   A HD2  1 c 2 
ATOM   2686 H HE1  . HIS   B 1 59  ? 32.111 4.489   3.671   1   57.855 ? 71  HIS   A HE1  1 c 2 
ATOM   2687 H HE2  . HIS   B 1 59  ? 29.946 4.955   2.882   0   30     ? 71  HIS   A HE2  1 c 2 
ATOM   2688 N N    . ASP   B 1 60  ? 29.754 8.285   9.621   1   60.241 ? 72  ASP   A N    1 ? 2 
ATOM   2689 C CA   . ASP   B 1 60  ? 29.952 9.144   10.797  1   63.902 ? 72  ASP   A CA   1 ? 2 
ATOM   2690 C C    . ASP   B 1 60  ? 30.546 8.313   11.942  1   64.091 ? 72  ASP   A C    1 ? 2 
ATOM   2691 O O    . ASP   B 1 60  ? 30.886 8.887   12.966  1   77.933 ? 72  ASP   A O    1 ? 2 
ATOM   2692 C CB   . ASP   B 1 60  ? 28.753 10.036  11.142  1   61.763 ? 72  ASP   A CB   1 ? 2 
ATOM   2693 H H    . ASP   B 1 60  ? 28.906 8.113   9.327   1   56.933 ? 72  ASP   A H    1 c 2 
ATOM   2694 H HA   . ASP   B 1 60  ? 30.639 9.804   10.55   1   65.33  ? 72  ASP   A HA   1 c 2 
ATOM   2695 H HB2  . ASP   B 1 60  ? 29.059 10.868  11.516  0   30     ? 72  ASP   A HB2  1 c 2 
ATOM   2696 H HB3  . ASP   B 1 60  ? 27.92  9.518   10.95   0   30     ? 72  ASP   A HB3  1 c 2 
ATOM   2697 N N    . ARG   B 1 61  ? 30.783 7.011   11.773  1   60.711 ? 73  ARG   A N    1 ? 2 
ATOM   2698 C CA   . ARG   B 1 61  ? 31.462 6.168   12.754  1   60.695 ? 73  ARG   A CA   1 ? 2 
ATOM   2699 C C    . ARG   B 1 61  ? 32.77  5.593   12.195  1   62     ? 73  ARG   A C    1 ? 2 
ATOM   2700 O O    . ARG   B 1 61  ? 33.469 4.869   12.911  1   58.57  ? 73  ARG   A O    1 ? 2 
ATOM   2701 C CB   . ARG   B 1 61  ? 30.488 5.082   13.263  1   59.822 ? 73  ARG   A CB   1 ? 2 
ATOM   2702 C CG   . ARG   B 1 61  ? 29.579 5.626   14.371  1   64.207 ? 73  ARG   A CG   1 ? 2 
ATOM   2703 C CD   . ARG   B 1 61  ? 28.147 5.143   14.497  1   56.917 ? 73  ARG   A CD   1 ? 2 
ATOM   2704 N NE   . ARG   B 1 61  ? 27.404 4.788   13.265  1   56.282 ? 73  ARG   A NE   1 ? 2 
ATOM   2705 C CZ   . ARG   B 1 61  ? 26.277 5.362   12.798  1   52.916 ? 73  ARG   A CZ   1 ? 2 
ATOM   2706 N NH1  . ARG   B 1 61  ? 25.844 6.499   13.255  1   57.416 ? 73  ARG   A NH1  1 ? 2 
ATOM   2707 N NH2  . ARG   B 1 61  ? 25.628 4.833   11.791  1   52.736 ? 73  ARG   A NH2  1 ? 2 
ATOM   2708 H H    . ARG   B 1 61  ? 30.46  6.607   11.022  1   58.723 ? 73  ARG   A H    1 c 2 
ATOM   2709 H HA   . ARG   B 1 61  ? 31.698 6.735   13.532  1   63.61  ? 73  ARG   A HA   1 c 2 
ATOM   2710 H HB2  . ARG   B 1 61  ? 29.936 4.766   12.516  1   57.951 ? 73  ARG   A HB2  1 c 2 
ATOM   2711 H HB3  . ARG   B 1 61  ? 30.998 4.32    13.61   1   61.058 ? 73  ARG   A HB3  1 c 2 
ATOM   2712 H HG2  . ARG   B 1 61  ? 30.026 5.455   15.229  1   64.258 ? 73  ARG   A HG2  1 c 2 
ATOM   2713 H HG3  . ARG   B 1 61  ? 29.554 6.604   14.283  1   63.002 ? 73  ARG   A HG3  1 c 2 
ATOM   2714 H HD2  . ARG   B 1 61  ? 28.159 4.36    15.084  1   58.851 ? 73  ARG   A HD2  1 c 2 
ATOM   2715 H HD3  . ARG   B 1 61  ? 27.649 5.841   14.969  1   59.14  ? 73  ARG   A HD3  1 c 2 
ATOM   2716 H HE   . ARG   B 1 61  ? 27.728 4.135   12.788  1   54.616 ? 73  ARG   A HE   1 c 2 
ATOM   2717 H HH11 . ARG   B 1 61  ? 26.408 7.17    13.371  1   58.013 ? 73  ARG   A HH11 1 c 2 
ATOM   2718 H HH12 . ARG   B 1 61  ? 24.987 6.597   13.448  1   55.509 ? 73  ARG   A HH12 1 c 2 
ATOM   2719 H HH21 . ARG   B 1 61  ? 25.873 4.045   11.472  1   51.183 ? 73  ARG   A HH21 1 c 2 
ATOM   2720 H HH22 . ARG   B 1 61  ? 24.944 5.264   11.433  1   50.911 ? 73  ARG   A HH22 1 c 2 
ATOM   2721 N N    . ASN   B 1 62  ? 33.058 5.888   10.912  1   60.343 ? 74  ASN   A N    1 ? 2 
ATOM   2722 C CA   . ASN   B 1 62  ? 34.196 5.386   10.131  1   59.345 ? 74  ASN   A CA   1 ? 2 
ATOM   2723 C C    . ASN   B 1 62  ? 34.461 3.891   10.351  1   56.252 ? 74  ASN   A C    1 ? 2 
ATOM   2724 O O    . ASN   B 1 62  ? 35.602 3.45    10.428  1   58.74  ? 74  ASN   A O    1 ? 2 
ATOM   2725 C CB   . ASN   B 1 62  ? 35.4   6.316   10.346  1   64.449 ? 74  ASN   A CB   1 ? 2 
ATOM   2726 C CG   . ASN   B 1 62  ? 36.419 6.28    9.22    1   63.181 ? 74  ASN   A CG   1 ? 2 
ATOM   2727 O OD1  . ASN   B 1 62  ? 36.062 6.312   8.038   1   63.768 ? 74  ASN   A OD1  1 ? 2 
ATOM   2728 N ND2  . ASN   B 1 62  ? 37.683 6.155   9.548   1   64.34  ? 74  ASN   A ND2  1 ? 2 
ATOM   2729 H H    . ASN   B 1 62  ? 32.498 6.468   10.487  1   59.123 ? 74  ASN   A H    1 c 2 
ATOM   2730 H HA   . ASN   B 1 62  ? 33.945 5.481   9.185   1   58.133 ? 74  ASN   A HA   1 c 2 
ATOM   2731 H HB2  . ASN   B 1 62  ? 35.075 7.233   10.446  1   64.04  ? 74  ASN   A HB2  1 c 2 
ATOM   2732 H HB3  . ASN   B 1 62  ? 35.845 6.067   11.181  1   65.208 ? 74  ASN   A HB3  1 c 2 
ATOM   2733 H HD21 . ASN   B 1 62  ? 38.228 5.681   9.035   1   65.654 ? 74  ASN   A HD21 1 c 2 
ATOM   2734 H HD22 . ASN   B 1 62  ? 37.99  6.546   10.283  1   67.187 ? 74  ASN   A HD22 1 c 2 
ATOM   2735 N N    . GLU   B 1 63  ? 33.402 3.101   10.48   1   53.157 ? 75  GLU   A N    1 ? 2 
ATOM   2736 C CA   . GLU   B 1 63  ? 33.546 1.653   10.519  1   52.938 ? 75  GLU   A CA   1 ? 2 
ATOM   2737 C C    . GLU   B 1 63  ? 32.299 1.004   9.94    1   47.158 ? 75  GLU   A C    1 ? 2 
ATOM   2738 O O    . GLU   B 1 63  ? 31.223 1.612   9.959   1   39.284 ? 75  GLU   A O    1 ? 2 
ATOM   2739 C CB   . GLU   B 1 63  ? 33.813 1.065   11.898  1   61.431 ? 75  GLU   A CB   1 ? 2 
ATOM   2740 C CG   . GLU   B 1 63  ? 32.585 0.904   12.786  1   61.722 ? 75  GLU   A CG   1 ? 2 
ATOM   2741 C CD   . GLU   B 1 63  ? 32.878 0.354   14.183  1   73.705 ? 75  GLU   A CD   1 ? 2 
ATOM   2742 O OE1  . GLU   B 1 63  ? 34.091 0.325   14.55   1   76.344 ? 75  GLU   A OE1  1 ? 2 
ATOM   2743 O OE2  . GLU   B 1 63  ? 31.907 -0.024  14.904  1   76.58  ? 75  GLU   A OE2  1 ? 2 
ATOM   2744 H H    . GLU   B 1 63  ? 32.565 3.464   10.533  1   51.843 ? 75  GLU   A H    1 c 2 
ATOM   2745 H HA   . GLU   B 1 63  ? 34.312 1.415   9.941   1   54.506 ? 75  GLU   A HA   1 c 2 
ATOM   2746 H HB2  . GLU   B 1 63  ? 34.231 0.186   11.787  1   60.466 ? 75  GLU   A HB2  1 c 2 
ATOM   2747 H HB3  . GLU   B 1 63  ? 34.456 1.642   12.361  1   62.598 ? 75  GLU   A HB3  1 c 2 
ATOM   2748 H HG2  . GLU   B 1 63  ? 32.146 1.776   12.882  1   62.874 ? 75  GLU   A HG2  1 c 2 
ATOM   2749 H HG3  . GLU   B 1 63  ? 31.95  0.3     12.347  1   60.846 ? 75  GLU   A HG3  1 c 2 
ATOM   2750 N N    . PRO   B 1 64  ? 32.434 -0.23   9.395   1   44.225 ? 76  PRO   A N    1 ? 2 
ATOM   2751 C CA   . PRO   B 1 64  ? 31.289 -0.892  8.791   1   41.986 ? 76  PRO   A CA   1 ? 2 
ATOM   2752 C C    . PRO   B 1 64  ? 30.166 -1.181  9.783   1   38.982 ? 76  PRO   A C    1 ? 2 
ATOM   2753 O O    . PRO   B 1 64  ? 30.439 -1.451  10.923  1   40.525 ? 76  PRO   A O    1 ? 2 
ATOM   2754 C CB   . PRO   B 1 64  ? 31.85  -2.162  8.171   1   43.414 ? 76  PRO   A CB   1 ? 2 
ATOM   2755 C CG   . PRO   B 1 64  ? 33.353 -1.936  8.061   1   47.66  ? 76  PRO   A CG   1 ? 2 
ATOM   2756 C CD   . PRO   B 1 64  ? 33.689 -0.974  9.225   1   48.982 ? 76  PRO   A CD   1 ? 2 
ATOM   2757 H HA   . PRO   B 1 64  ? 30.945 -0.308  8.07    1   40.67  ? 76  PRO   A HA   1 c 2 
ATOM   2758 H HB2  . PRO   B 1 64  ? 31.657 -2.944  8.74    1   43.396 ? 76  PRO   A HB2  1 c 2 
ATOM   2759 H HB3  . PRO   B 1 64  ? 31.455 -2.319  7.282   1   42.111 ? 76  PRO   A HB3  1 c 2 
ATOM   2760 H HG2  . PRO   B 1 64  ? 33.841 -2.781  8.155   1   48.216 ? 76  PRO   A HG2  1 c 2 
ATOM   2761 H HG3  . PRO   B 1 64  ? 33.581 -1.533  7.198   1   47.31  ? 76  PRO   A HG3  1 c 2 
ATOM   2762 H HD2  . PRO   B 1 64  ? 33.922 -1.471  10.04   1   49.598 ? 76  PRO   A HD2  1 c 2 
ATOM   2763 H HD3  . PRO   B 1 64  ? 34.432 -0.379  8.983   1   50.21  ? 76  PRO   A HD3  1 c 2 
ATOM   2764 N N    . PHE   B 1 65  ? 28.918 -1.22   9.286   1   33.337 ? 77  PHE   A N    1 ? 2 
ATOM   2765 C CA   . PHE   B 1 65  ? 27.761 -1.641  10.062  1   34.434 ? 77  PHE   A CA   1 ? 2 
ATOM   2766 C C    . PHE   B 1 65  ? 27.576 -3.136  9.753   1   34.541 ? 77  PHE   A C    1 ? 2 
ATOM   2767 O O    . PHE   B 1 65  ? 27.666 -3.557  8.595   1   33.035 ? 77  PHE   A O    1 ? 2 
ATOM   2768 C CB   . PHE   B 1 65  ? 26.509 -0.859  9.702   1   33.822 ? 77  PHE   A CB   1 ? 2 
ATOM   2769 C CG   . PHE   B 1 65  ? 25.233 -1.35   10.354  1   30.83  ? 77  PHE   A CG   1 ? 2 
ATOM   2770 C CD1  . PHE   B 1 65  ? 25.001 -1.098  11.695  1   36.134 ? 77  PHE   A CD1  1 ? 2 
ATOM   2771 C CD2  . PHE   B 1 65  ? 24.343 -2.18   9.696   1   30.419 ? 77  PHE   A CD2  1 ? 2 
ATOM   2772 C CE1  . PHE   B 1 65  ? 23.853 -1.559  12.313  1   39.149 ? 77  PHE   A CE1  1 ? 2 
ATOM   2773 C CE2  . PHE   B 1 65  ? 23.205 -2.662  10.327  1   31.701 ? 77  PHE   A CE2  1 ? 2 
ATOM   2774 C CZ   . PHE   B 1 65  ? 22.954 -2.33   11.631  1   33.692 ? 77  PHE   A CZ   1 ? 2 
ATOM   2775 H H    . PHE   B 1 65  ? 28.787 -0.971  8.417   1   33.712 ? 77  PHE   A H    1 c 2 
ATOM   2776 H HA   . PHE   B 1 65  ? 27.953 -1.524  11.03   1   35.684 ? 77  PHE   A HA   1 c 2 
ATOM   2777 H HB2  . PHE   B 1 65  ? 26.649 0.08    9.953   1   33.661 ? 77  PHE   A HB2  1 c 2 
ATOM   2778 H HB3  . PHE   B 1 65  ? 26.395 -0.891  8.726   1   32.053 ? 77  PHE   A HB3  1 c 2 
ATOM   2779 H HD1  . PHE   B 1 65  ? 25.597 -0.543  12.172  1   37.164 ? 77  PHE   A HD1  1 c 2 
ATOM   2780 H HD2  . PHE   B 1 65  ? 24.496 -2.394  8.789   1   29.965 ? 77  PHE   A HD2  1 c 2 
ATOM   2781 H HE1  . PHE   B 1 65  ? 23.692 -1.342  13.217  1   38.354 ? 77  PHE   A HE1  1 c 2 
ATOM   2782 H HE2  . PHE   B 1 65  ? 22.588 -3.19   9.846   1   30.597 ? 77  PHE   A HE2  1 c 2 
ATOM   2783 H HZ   . PHE   B 1 65  ? 22.186 -2.662  12.067  1   34.263 ? 77  PHE   A HZ   1 c 2 
ATOM   2784 N N    . VAL   B 1 66  ? 27.441 -3.925  10.812  1   37.421 ? 78  VAL   A N    1 ? 2 
ATOM   2785 C CA   . VAL   B 1 66  ? 27.576 -5.38   10.653  1   39.58  ? 78  VAL   A CA   1 ? 2 
ATOM   2786 C C    . VAL   B 1 66  ? 26.279 -5.981  11.159  1   36.107 ? 78  VAL   A C    1 ? 2 
ATOM   2787 O O    . VAL   B 1 66  ? 25.866 -5.643  12.259  1   36.396 ? 78  VAL   A O    1 ? 2 
ATOM   2788 C CB   . VAL   B 1 66  ? 28.775 -5.946  11.425  1   43.052 ? 78  VAL   A CB   1 ? 2 
ATOM   2789 C CG1  . VAL   B 1 66  ? 28.834 -7.468  11.33   1   43.325 ? 78  VAL   A CG1  1 ? 2 
ATOM   2790 C CG2  . VAL   B 1 66  ? 30.106 -5.338  10.967  1   44.706 ? 78  VAL   A CG2  1 ? 2 
ATOM   2791 H H    . VAL   B 1 66  ? 27.26  -3.575  11.636  1   37.933 ? 78  VAL   A H    1 c 2 
ATOM   2792 H HA   . VAL   B 1 66  ? 27.679 -5.591  9.708   1   37.933 ? 78  VAL   A HA   1 c 2 
ATOM   2793 H HB   . VAL   B 1 66  ? 28.647 -5.709  12.373  1   43.846 ? 78  VAL   A HB   1 c 2 
ATOM   2794 H HG11 . VAL   B 1 66  ? 28.67  -7.743  10.412  1   42.335 ? 78  VAL   A HG11 1 c 2 
ATOM   2795 H HG12 . VAL   B 1 66  ? 28.159 -7.858  11.91   1   43.497 ? 78  VAL   A HG12 1 c 2 
ATOM   2796 H HG13 . VAL   B 1 66  ? 29.713 -7.778  11.607  1   45.314 ? 78  VAL   A HG13 1 c 2 
ATOM   2797 H HG21 . VAL   B 1 66  ? 30.842 -5.798  11.403  1   46.51  ? 78  VAL   A HG21 1 c 2 
ATOM   2798 H HG22 . VAL   B 1 66  ? 30.13  -4.395  11.203  1   44.679 ? 78  VAL   A HG22 1 c 2 
ATOM   2799 H HG23 . VAL   B 1 66  ? 30.191 -5.431  10.004  1   43.725 ? 78  VAL   A HG23 1 c 2 
ATOM   2800 N N    . PHE   B 1 67  ? 25.691 -6.937  10.399  1   32.808 ? 79  PHE   A N    1 ? 2 
ATOM   2801 C CA   . PHE   B 1 67  ? 24.473 -7.597  10.887  1   32.622 ? 79  PHE   A CA   1 ? 2 
ATOM   2802 C C    . PHE   B 1 67  ? 24.316 -8.963  10.221  1   32.818 ? 79  PHE   A C    1 ? 2 
ATOM   2803 O O    . PHE   B 1 67  ? 25.042 -9.249  9.248   1   31.471 ? 79  PHE   A O    1 ? 2 
ATOM   2804 C CB   . PHE   B 1 67  ? 23.189 -6.793  10.688  1   34.369 ? 79  PHE   A CB   1 ? 2 
ATOM   2805 C CG   . PHE   B 1 67  ? 22.705 -6.698  9.248   1   31.913 ? 79  PHE   A CG   1 ? 2 
ATOM   2806 C CD1  . PHE   B 1 67  ? 23.372 -5.921  8.315   1   34.34  ? 79  PHE   A CD1  1 ? 2 
ATOM   2807 C CD2  . PHE   B 1 67  ? 21.591 -7.41   8.805   1   29.756 ? 79  PHE   A CD2  1 ? 2 
ATOM   2808 C CE1  . PHE   B 1 67  ? 22.907 -5.806  7.007   1   31.022 ? 79  PHE   A CE1  1 ? 2 
ATOM   2809 C CE2  . PHE   B 1 67  ? 21.111 -7.236  7.527   1   30.267 ? 79  PHE   A CE2  1 ? 2 
ATOM   2810 C CZ   . PHE   B 1 67  ? 21.782 -6.509  6.616   1   29.606 ? 79  PHE   A CZ   1 ? 2 
ATOM   2811 H H    . PHE   B 1 67  ? 26.042 -7.174  9.589   1   33.09  ? 79  PHE   A H    1 c 2 
ATOM   2812 H HA   . PHE   B 1 67  ? 24.585 -7.749  11.863  1   34.649 ? 79  PHE   A HA   1 c 2 
ATOM   2813 H HB2  . PHE   B 1 67  ? 22.48  -7.203  11.232  1   33.728 ? 79  PHE   A HB2  1 c 2 
ATOM   2814 H HB3  . PHE   B 1 67  ? 23.337 -5.884  11.031  1   33.303 ? 79  PHE   A HB3  1 c 2 
ATOM   2815 H HD1  . PHE   B 1 67  ? 24.139 -5.439  8.579   1   33.67  ? 79  PHE   A HD1  1 c 2 
ATOM   2816 H HD2  . PHE   B 1 67  ? 21.093 -7.92   9.423   1   31.277 ? 79  PHE   A HD2  1 c 2 
ATOM   2817 H HE1  . PHE   B 1 67  ? 23.374 -5.271  6.384   1   31.042 ? 79  PHE   A HE1  1 c 2 
ATOM   2818 H HE2  . PHE   B 1 67  ? 20.358 -7.735  7.25    1   29.71  ? 79  PHE   A HE2  1 c 2 
ATOM   2819 H HZ   . PHE   B 1 67  ? 21.461 -6.44   5.731   1   29.186 ? 79  PHE   A HZ   1 c 2 
ATOM   2820 N N    . SER   B 1 68  ? 23.479 -9.792  10.87   1   33.319 ? 80  SER   A N    1 ? 2 
ATOM   2821 C CA   . SER   B 1 68  ? 23.205 -11.169 10.439  1   35.183 ? 80  SER   A CA   1 ? 2 
ATOM   2822 C C    . SER   B 1 68  ? 21.939 -11.128 9.601   1   31.762 ? 80  SER   A C    1 ? 2 
ATOM   2823 O O    . SER   B 1 68  ? 20.908 -10.707 10.105  1   32.789 ? 80  SER   A O    1 ? 2 
ATOM   2824 C CB   . SER   B 1 68  ? 23.026 -12.118 11.565  1   37.503 ? 80  SER   A CB   1 ? 2 
ATOM   2825 O OG   . SER   B 1 68  ? 24.261 -12.193 12.196  1   45.036 ? 80  SER   A OG   1 ? 2 
ATOM   2826 H H    . SER   B 1 68  ? 23.057 -9.484  11.62   1   34.005 ? 80  SER   A H    1 c 2 
ATOM   2827 H HA   . SER   B 1 68  ? 23.955 -11.481 9.874   1   34.949 ? 80  SER   A HA   1 c 2 
ATOM   2828 H HB2  . SER   B 1 68  ? 22.348 -11.785 12.182  1   38.826 ? 80  SER   A HB2  1 c 2 
ATOM   2829 H HB3  . SER   B 1 68  ? 22.763 -12.996 11.228  1   39.373 ? 80  SER   A HB3  1 c 2 
ATOM   2830 H HG   . SER   B 1 68  ? 24.189 -12.707 12.878  0   30     ? 80  SER   A HG   1 c 2 
ATOM   2831 N N    . LEU   B 1 69  ? 22.038 -11.486 8.321   1   33.864 ? 81  LEU   A N    1 ? 2 
ATOM   2832 C CA   . LEU   B 1 69  ? 20.915 -11.287 7.399   1   31.058 ? 81  LEU   A CA   1 ? 2 
ATOM   2833 C C    . LEU   B 1 69  ? 19.748 -12.222 7.713   1   30.411 ? 81  LEU   A C    1 ? 2 
ATOM   2834 O O    . LEU   B 1 69  ? 19.892 -13.435 8.05    1   34.297 ? 81  LEU   A O    1 ? 2 
ATOM   2835 C CB   . LEU   B 1 69  ? 21.402 -11.529 5.974   1   33.584 ? 81  LEU   A CB   1 ? 2 
ATOM   2836 C CG   . LEU   B 1 69  ? 20.339 -11.274 4.887   1   35.478 ? 81  LEU   A CG   1 ? 2 
ATOM   2837 C CD1  . LEU   B 1 69  ? 20.179 -9.782  4.6     1   33.421 ? 81  LEU   A CD1  1 ? 2 
ATOM   2838 C CD2  . LEU   B 1 69  ? 20.711 -12.092 3.635   1   41.962 ? 81  LEU   A CD2  1 ? 2 
ATOM   2839 H H    . LEU   B 1 69  ? 22.81  -11.863 8.009   1   33.519 ? 81  LEU   A H    1 c 2 
ATOM   2840 H HA   . LEU   B 1 69  ? 20.608 -10.349 7.481   1   30.282 ? 81  LEU   A HA   1 c 2 
ATOM   2841 H HB2  . LEU   B 1 69  ? 22.171 -10.938 5.805   1   33.123 ? 81  LEU   A HB2  1 c 2 
ATOM   2842 H HB3  . LEU   B 1 69  ? 21.706 -12.463 5.905   1   34.865 ? 81  LEU   A HB3  1 c 2 
ATOM   2843 H HG   . LEU   B 1 69  ? 19.468 -11.613 5.218   1   35.989 ? 81  LEU   A HG   1 c 2 
ATOM   2844 H HD11 . LEU   B 1 69  ? 19.906 -9.323  5.412   1   33.166 ? 81  LEU   A HD11 1 c 2 
ATOM   2845 H HD12 . LEU   B 1 69  ? 19.504 -9.654  3.913   1   33.043 ? 81  LEU   A HD12 1 c 2 
ATOM   2846 H HD13 . LEU   B 1 69  ? 21.026 -9.418  4.292   1   33.384 ? 81  LEU   A HD13 1 c 2 
ATOM   2847 H HD21 . LEU   B 1 69  ? 20.56  -13.036 3.808   1   41.297 ? 81  LEU   A HD21 1 c 2 
ATOM   2848 H HD22 . LEU   B 1 69  ? 21.647 -11.948 3.42    1   40.243 ? 81  LEU   A HD22 1 c 2 
ATOM   2849 H HD23 . LEU   B 1 69  ? 20.16  -11.81  2.886   1   39.527 ? 81  LEU   A HD23 1 c 2 
ATOM   2850 N N    . GLY   B 1 70  ? 18.576 -11.621 7.706   1   32.185 ? 82  GLY   A N    1 ? 2 
ATOM   2851 C CA   . GLY   B 1 70  ? 17.353 -12.38  7.745   1   36.727 ? 82  GLY   A CA   1 ? 2 
ATOM   2852 C C    . GLY   B 1 70  ? 16.964 -12.774 9.156   1   43.793 ? 82  GLY   A C    1 ? 2 
ATOM   2853 O O    . GLY   B 1 70  ? 16.094 -13.631 9.26    1   54.04  ? 82  GLY   A O    1 ? 2 
ATOM   2854 H H    . GLY   B 1 70  ? 18.532 -10.709 7.679   1   30.985 ? 82  GLY   A H    1 c 2 
ATOM   2855 H HA2  . GLY   B 1 70  ? 16.63  -11.843 7.346   1   35.892 ? 82  GLY   A HA2  1 c 2 
ATOM   2856 H HA3  . GLY   B 1 70  ? 17.46  -13.192 7.197   1   37.642 ? 82  GLY   A HA3  1 c 2 
ATOM   2857 N N    . LYS   B 1 71  ? 17.606 -12.191 10.182  1   39.366 ? 83  LYS   A N    1 ? 2 
ATOM   2858 C CA   . LYS   B 1 71  ? 17.258 -12.423 11.574  1   43.243 ? 83  LYS   A CA   1 ? 2 
ATOM   2859 C C    . LYS   B 1 71  ? 16.36  -11.3   12.131  1   45.365 ? 83  LYS   A C    1 ? 2 
ATOM   2860 O O    . LYS   B 1 71  ? 15.962 -11.339 13.268  1   49.765 ? 83  LYS   A O    1 ? 2 
ATOM   2861 C CB   . LYS   B 1 71  ? 18.532 -12.754 12.332  1   40.725 ? 83  LYS   A CB   1 ? 2 
ATOM   2862 H H    . LYS   B 1 71  ? 18.286 -11.609 10.001  1   39.628 ? 83  LYS   A H    1 c 2 
ATOM   2863 H HA   . LYS   B 1 71  ? 16.718 -13.253 11.605  1   44.026 ? 83  LYS   A HA   1 c 2 
ATOM   2864 H HB2  . LYS   B 1 71  ? 19.295 -12.503 11.757  0   30     ? 83  LYS   A HB2  1 c 2 
ATOM   2865 H HB3  . LYS   B 1 71  ? 18.289 -13.089 13.206  0   30     ? 83  LYS   A HB3  1 c 2 
ATOM   2866 N N    . GLY   B 1 72  ? 15.851 -10.375 11.331  1   50.686 ? 84  GLY   A N    1 ? 2 
ATOM   2867 C CA   . GLY   B 1 72  ? 15.118 -9.248  11.91   1   49.82  ? 84  GLY   A CA   1 ? 2 
ATOM   2868 C C    . GLY   B 1 72  ? 15.965 -8.415  12.892  1   51.578 ? 84  GLY   A C    1 ? 2 
ATOM   2869 O O    . GLY   B 1 72  ? 15.416 -7.786  13.798  1   53.775 ? 84  GLY   A O    1 ? 2 
ATOM   2870 H H    . GLY   B 1 72  ? 15.948 -10.433 10.424  1   47.476 ? 84  GLY   A H    1 c 2 
ATOM   2871 H HA2  . GLY   B 1 72  ? 14.804 -8.666  11.179  1   48.734 ? 84  GLY   A HA2  1 c 2 
ATOM   2872 H HA3  . GLY   B 1 72  ? 14.322 -9.593  12.379  1   51.521 ? 84  GLY   A HA3  1 c 2 
ATOM   2873 N N    . GLN   B 1 73  ? 17.308 -8.396  12.707  1   41.211 ? 85  GLN   A N    1 ? 2 
ATOM   2874 C CA   . GLN   B 1 73  ? 18.152 -7.502  13.479  1   40.063 ? 85  GLN   A CA   1 ? 2 
ATOM   2875 C C    . GLN   B 1 73  ? 18.043 -6.083  12.913  1   35.987 ? 85  GLN   A C    1 ? 2 
ATOM   2876 O O    . GLN   B 1 73  ? 18.455 -5.114  13.55   1   34.165 ? 85  GLN   A O    1 ? 2 
ATOM   2877 C CB   . GLN   B 1 73  ? 19.606 -7.928  13.404  1   42.628 ? 85  GLN   A CB   1 ? 2 
ATOM   2878 C CG   . GLN   B 1 73  ? 19.913 -9.229  14.133  1   42.952 ? 85  GLN   A CG   1 ? 2 
ATOM   2879 C CD   . GLN   B 1 73  ? 21.351 -9.626  13.972  1   41.395 ? 85  GLN   A CD   1 ? 2 
ATOM   2880 O OE1  . GLN   B 1 73  ? 22.19  -8.963  13.341  1   40.828 ? 85  GLN   A OE1  1 ? 2 
ATOM   2881 N NE2  . GLN   B 1 73  ? 21.677 -10.782 14.54   1   51.161 ? 85  GLN   A NE2  1 ? 2 
ATOM   2882 H H    . GLN   B 1 73  ? 17.693 -8.941  12.083  1   42.625 ? 85  GLN   A H    1 c 2 
ATOM   2883 H HA   . GLN   B 1 73  ? 17.849 -7.504  14.423  1   41.897 ? 85  GLN   A HA   1 c 2 
ATOM   2884 H HB2  . GLN   B 1 73  ? 19.854 -8.028  12.461  1   40.418 ? 85  GLN   A HB2  1 c 2 
ATOM   2885 H HB3  . GLN   B 1 73  ? 20.162 -7.215  13.783  1   41.753 ? 85  GLN   A HB3  1 c 2 
ATOM   2886 H HG2  . GLN   B 1 73  ? 19.713 -9.124  15.088  1   44.354 ? 85  GLN   A HG2  1 c 2 
ATOM   2887 H HG3  . GLN   B 1 73  ? 19.341 -9.944  13.782  1   42.946 ? 85  GLN   A HG3  1 c 2 
ATOM   2888 H HE21 . GLN   B 1 73  ? 22.506 -11.09  14.471  1   49.247 ? 85  GLN   A HE21 1 c 2 
ATOM   2889 H HE22 . GLN   B 1 73  ? 21.067 -11.247 14.988  1   49.719 ? 85  GLN   A HE22 1 c 2 
ATOM   2890 N N    . VAL   B 1 74  ? 17.481 -5.982  11.727  1   30.942 ? 86  VAL   A N    1 ? 2 
ATOM   2891 C CA   . VAL   B 1 74  ? 17.266 -4.698  11.039  1   26.881 ? 86  VAL   A CA   1 ? 2 
ATOM   2892 C C    . VAL   B 1 74  ? 15.839 -4.708  10.534  1   24.802 ? 86  VAL   A C    1 ? 2 
ATOM   2893 O O    . VAL   B 1 74  ? 15.189 -5.745  10.646  1   28.323 ? 86  VAL   A O    1 ? 2 
ATOM   2894 C CB   . VAL   B 1 74  ? 18.258 -4.557  9.877   1   29.371 ? 86  VAL   A CB   1 ? 2 
ATOM   2895 C CG1  . VAL   B 1 74  ? 19.696 -4.32   10.337  1   32.099 ? 86  VAL   A CG1  1 ? 2 
ATOM   2896 C CG2  . VAL   B 1 74  ? 18.16  -5.76   8.975   1   28.699 ? 86  VAL   A CG2  1 ? 2 
ATOM   2897 H H    . VAL   B 1 74  ? 17.216 -6.745  11.301  1   31.307 ? 86  VAL   A H    1 c 2 
ATOM   2898 H HA   . VAL   B 1 74  ? 17.387 -3.961  11.668  1   28.063 ? 86  VAL   A HA   1 c 2 
ATOM   2899 H HB   . VAL   B 1 74  ? 17.98  -3.769  9.354   1   27.905 ? 86  VAL   A HB   1 c 2 
ATOM   2900 H HG11 . VAL   B 1 74  ? 19.993 -5.073  10.875  1   32.588 ? 86  VAL   A HG11 1 c 2 
ATOM   2901 H HG12 . VAL   B 1 74  ? 19.738 -3.507  10.867  1   31.787 ? 86  VAL   A HG12 1 c 2 
ATOM   2902 H HG13 . VAL   B 1 74  ? 20.274 -4.23   9.561   1   30.972 ? 86  VAL   A HG13 1 c 2 
ATOM   2903 H HG21 . VAL   B 1 74  ? 18.661 -5.593  8.159   1   28.198 ? 86  VAL   A HG21 1 c 2 
ATOM   2904 H HG22 . VAL   B 1 74  ? 17.23  -5.93   8.752   1   28.611 ? 86  VAL   A HG22 1 c 2 
ATOM   2905 H HG23 . VAL   B 1 74  ? 18.531 -6.537  9.426   1   29.837 ? 86  VAL   A HG23 1 c 2 
ATOM   2906 N N    . ILE   B 1 75  ? 15.347 -3.586  10.014  1   23.505 ? 87  ILE   A N    1 ? 2 
ATOM   2907 C CA   . ILE   B 1 75  ? 13.992 -3.534  9.472   1   25.003 ? 87  ILE   A CA   1 ? 2 
ATOM   2908 C C    . ILE   B 1 75  ? 13.876 -4.511  8.293   1   23.355 ? 87  ILE   A C    1 ? 2 
ATOM   2909 O O    . ILE   B 1 75  ? 14.875 -4.876  7.651   1   26.694 ? 87  ILE   A O    1 ? 2 
ATOM   2910 C CB   . ILE   B 1 75  ? 13.613 -2.083  9.097   1   25.627 ? 87  ILE   A CB   1 ? 2 
ATOM   2911 C CG1  . ILE   B 1 75  ? 14.648 -1.468  8.091   1   28.087 ? 87  ILE   A CG1  1 ? 2 
ATOM   2912 C CG2  . ILE   B 1 75  ? 13.431 -1.222  10.33   1   28.103 ? 87  ILE   A CG2  1 ? 2 
ATOM   2913 C CD1  . ILE   B 1 75  ? 14.214 -0.128  7.483   1   28.291 ? 87  ILE   A CD1  1 ? 2 
ATOM   2914 H H    . ILE   B 1 75  ? 15.86  -2.83   10.009  1   23.703 ? 87  ILE   A H    1 c 2 
ATOM   2915 H HA   . ILE   B 1 75  ? 13.379 -3.831  10.172  1   25.674 ? 87  ILE   A HA   1 c 2 
ATOM   2916 H HB   . ILE   B 1 75  ? 12.751 -2.12   8.638   1   26.159 ? 87  ILE   A HB   1 c 2 
ATOM   2917 H HG12 . ILE   B 1 75  ? 15.499 -1.337  8.555   1   27.509 ? 87  ILE   A HG12 1 c 2 
ATOM   2918 H HG13 . ILE   B 1 75  ? 14.799 -2.106  7.365   1   26.977 ? 87  ILE   A HG13 1 c 2 
ATOM   2919 H HG21 . ILE   B 1 75  ? 13.062 -0.36   10.074  1   27.38  ? 87  ILE   A HG21 1 c 2 
ATOM   2920 H HG22 . ILE   B 1 75  ? 14.291 -1.088  10.763  1   27.877 ? 87  ILE   A HG22 1 c 2 
ATOM   2921 H HG23 . ILE   B 1 75  ? 12.824 -1.661  10.948  1   28.58  ? 87  ILE   A HG23 1 c 2 
ATOM   2922 H HD11 . ILE   B 1 75  ? 13.327 -0.22   7.088   1   28.062 ? 87  ILE   A HD11 1 c 2 
ATOM   2923 H HD12 . ILE   B 1 75  ? 14.85  0.137   6.792   1   27.658 ? 87  ILE   A HD12 1 c 2 
ATOM   2924 H HD13 . ILE   B 1 75  ? 14.189 0.555   8.18    1   28.496 ? 87  ILE   A HD13 1 c 2 
ATOM   2925 N N    . LYS   B 1 76  ? 12.642 -4.943  8.015   1   26.777 ? 88  LYS   A N    1 ? 2 
ATOM   2926 C CA   . LYS   B 1 76  ? 12.327 -5.976  7.036   1   26.883 ? 88  LYS   A CA   1 ? 2 
ATOM   2927 C C    . LYS   B 1 76  ? 12.87  -5.563  5.679   1   24.15  ? 88  LYS   A C    1 ? 2 
ATOM   2928 O O    . LYS   B 1 76  ? 13.44  -6.393  4.985   1   26.677 ? 88  LYS   A O    1 ? 2 
ATOM   2929 C CB   . LYS   B 1 76  ? 10.819 -6.27   7.01    1   30.098 ? 88  LYS   A CB   1 ? 2 
ATOM   2930 H H    . LYS   B 1 76  ? 11.947 -4.561  8.47    1   26.425 ? 88  LYS   A H    1 c 2 
ATOM   2931 H HA   . LYS   B 1 76  ? 12.792 -6.807  7.312   1   27.6   ? 88  LYS   A HA   1 c 2 
ATOM   2932 H HB2  . LYS   B 1 76  ? 10.685 -7.227  6.852   0   30     ? 88  LYS   A HB2  1 c 2 
ATOM   2933 H HB3  . LYS   B 1 76  ? 10.336 -5.42   7.111   0   30     ? 88  LYS   A HB3  1 c 2 
ATOM   2934 N N    . ALA   B 1 77  ? 12.798 -4.249  5.333   1   25.073 ? 89  ALA   A N    1 ? 2 
ATOM   2935 C CA   . ALA   B 1 77  ? 13.31  -3.729  4.043   1   24.455 ? 89  ALA   A CA   1 ? 2 
ATOM   2936 C C    . ALA   B 1 77  ? 14.777 -4.079  3.825   1   22.988 ? 89  ALA   A C    1 ? 2 
ATOM   2937 O O    . ALA   B 1 77  ? 15.221 -4.328  2.721   1   26.757 ? 89  ALA   A O    1 ? 2 
ATOM   2938 C CB   . ALA   B 1 77  ? 13.078 -2.263  3.86    1   24.795 ? 89  ALA   A CB   1 ? 2 
ATOM   2939 H H    . ALA   B 1 77  ? 12.41  -3.661  5.915   1   24.679 ? 89  ALA   A H    1 c 2 
ATOM   2940 H HA   . ALA   B 1 77  ? 12.799 -4.199  3.328   1   24.776 ? 89  ALA   A HA   1 c 2 
ATOM   2941 H HB1  . ALA   B 1 77  ? 12.123 -2.085  3.823   1   24.859 ? 89  ALA   A HB1  1 c 2 
ATOM   2942 H HB2  . ALA   B 1 77  ? 13.466 -1.776  4.606   1   24.35  ? 89  ALA   A HB2  1 c 2 
ATOM   2943 H HB3  . ALA   B 1 77  ? 13.491 -1.966  3.032   1   24.339 ? 89  ALA   A HB3  1 c 2 
ATOM   2944 N N    . TRP   B 1 78  ? 15.599 -4.009  4.923   1   23.676 ? 90  TRP   A N    1 ? 2 
ATOM   2945 C CA   . TRP   B 1 78  ? 16.991 -4.365  4.804   1   25.345 ? 90  TRP   A CA   1 ? 2 
ATOM   2946 C C    . TRP   B 1 78  ? 17.203 -5.844  4.584   1   22.925 ? 90  TRP   A C    1 ? 2 
ATOM   2947 O O    . TRP   B 1 78  ? 18.119 -6.194  3.791   1   25.844 ? 90  TRP   A O    1 ? 2 
ATOM   2948 C CB   . TRP   B 1 78  ? 17.833 -3.843  5.994   1   25.326 ? 90  TRP   A CB   1 ? 2 
ATOM   2949 C CG   . TRP   B 1 78  ? 18.324 -2.451  5.844   1   24.931 ? 90  TRP   A CG   1 ? 2 
ATOM   2950 C CD1  . TRP   B 1 78  ? 17.654 -1.294  5.486   1   26.932 ? 90  TRP   A CD1  1 ? 2 
ATOM   2951 C CD2  . TRP   B 1 78  ? 19.687 -2.059  6.048   1   22.755 ? 90  TRP   A CD2  1 ? 2 
ATOM   2952 N NE1  . TRP   B 1 78  ? 18.518 -0.235  5.455   1   25.814 ? 90  TRP   A NE1  1 ? 2 
ATOM   2953 C CE2  . TRP   B 1 78  ? 19.794 -0.673  5.779   1   24.073 ? 90  TRP   A CE2  1 ? 2 
ATOM   2954 C CE3  . TRP   B 1 78  ? 20.818 -2.798  6.394   1   24.525 ? 90  TRP   A CE3  1 ? 2 
ATOM   2955 C CZ2  . TRP   B 1 78  ? 20.987 0.011   5.938   1   26.373 ? 90  TRP   A CZ2  1 ? 2 
ATOM   2956 C CZ3  . TRP   B 1 78  ? 22.012 -2.145  6.492   1   28.317 ? 90  TRP   A CZ3  1 ? 2 
ATOM   2957 C CH2  . TRP   B 1 78  ? 22.102 -0.734  6.281   1   30.704 ? 90  TRP   A CH2  1 ? 2 
ATOM   2958 H H    . TRP   B 1 78  ? 15.271 -3.735  5.731   1   24.019 ? 90  TRP   A H    1 c 2 
ATOM   2959 H HA   . TRP   B 1 78  ? 17.334 -3.902  3.992   1   24.089 ? 90  TRP   A HA   1 c 2 
ATOM   2960 H HB2  . TRP   B 1 78  ? 17.29  -3.901  6.808   1   25.651 ? 90  TRP   A HB2  1 c 2 
ATOM   2961 H HB3  . TRP   B 1 78  ? 18.604 -4.439  6.112   1   25.79  ? 90  TRP   A HB3  1 c 2 
ATOM   2962 H HD1  . TRP   B 1 78  ? 16.733 -1.236  5.286   1   25.758 ? 90  TRP   A HD1  1 c 2 
ATOM   2963 H HE1  . TRP   B 1 78  ? 18.3   0.583   5.267   1   25.467 ? 90  TRP   A HE1  1 c 2 
ATOM   2964 H HE3  . TRP   B 1 78  ? 20.758 -3.724  6.551   1   25.301 ? 90  TRP   A HE3  1 c 2 
ATOM   2965 H HZ2  . TRP   B 1 78  ? 21.049 0.933   5.759   1   26.947 ? 90  TRP   A HZ2  1 c 2 
ATOM   2966 H HZ3  . TRP   B 1 78  ? 22.781 -2.624  6.754   1   28.754 ? 90  TRP   A HZ3  1 c 2 
ATOM   2967 H HH2  . TRP   B 1 78  ? 22.936 -0.306  6.36    1   29.972 ? 90  TRP   A HH2  1 c 2 
ATOM   2968 N N    . ASP   B 1 79  ? 16.489 -6.693  5.361   1   24.641 ? 91  ASP   A N    1 ? 2 
ATOM   2969 C CA   . ASP   B 1 79  ? 16.546 -8.125  5.141   1   28.406 ? 91  ASP   A CA   1 ? 2 
ATOM   2970 C C    . ASP   B 1 79  ? 16.202 -8.465  3.686   1   29.825 ? 91  ASP   A C    1 ? 2 
ATOM   2971 O O    . ASP   B 1 79  ? 16.909 -9.31   3.094   1   28.969 ? 91  ASP   A O    1 ? 2 
ATOM   2972 C CB   . ASP   B 1 79  ? 15.769 -8.922  6.145   1   31.935 ? 91  ASP   A CB   1 ? 2 
ATOM   2973 C CG   . ASP   B 1 79  ? 16.408 -9.096  7.525   1   32.354 ? 91  ASP   A CG   1 ? 2 
ATOM   2974 O OD1  . ASP   B 1 79  ? 17.62  -8.959  7.605   1   30.067 ? 91  ASP   A OD1  1 ? 2 
ATOM   2975 O OD2  . ASP   B 1 79  ? 15.644 -9.446  8.486   1   32.233 ? 91  ASP   A OD2  1 ? 2 
ATOM   2976 H H    . ASP   B 1 79  ? 15.967 -6.366  6.036   1   25.059 ? 91  ASP   A H    1 c 2 
ATOM   2977 H HA   . ASP   B 1 79  ? 17.481 -8.397  5.279   1   28.79  ? 91  ASP   A HA   1 c 2 
ATOM   2978 H HB2  . ASP   B 1 79  ? 14.897 -8.493  6.27    1   31.069 ? 91  ASP   A HB2  1 c 2 
ATOM   2979 H HB3  . ASP   B 1 79  ? 15.609 -9.816  5.776   1   32.158 ? 91  ASP   A HB3  1 c 2 
ATOM   2980 N N    . ILE   B 1 80  ? 15.232 -7.763  3.101   1   26.826 ? 92  ILE   A N    1 ? 2 
ATOM   2981 C CA   . ILE   B 1 80  ? 14.808 -7.978  1.714   1   27.683 ? 92  ILE   A CA   1 ? 2 
ATOM   2982 C C    . ILE   B 1 80  ? 15.846 -7.417  0.725   1   25.463 ? 92  ILE   A C    1 ? 2 
ATOM   2983 O O    . ILE   B 1 80  ? 16.253 -8.138  -0.19   1   29.5   ? 92  ILE   A O    1 ? 2 
ATOM   2984 C CB   . ILE   B 1 80  ? 13.4   -7.382  1.434   1   28.653 ? 92  ILE   A CB   1 ? 2 
ATOM   2985 C CG1  . ILE   B 1 80  ? 12.305 -8.082  2.203   1   32.733 ? 92  ILE   A CG1  1 ? 2 
ATOM   2986 C CG2  . ILE   B 1 80  ? 13.036 -7.344  -0.069  1   32.221 ? 92  ILE   A CG2  1 ? 2 
ATOM   2987 C CD1  . ILE   B 1 80  ? 10.985 -7.302  2.263   1   33.062 ? 92  ILE   A CD1  1 ? 2 
ATOM   2988 H H    . ILE   B 1 80  ? 14.801 -7.121  3.588   1   27.012 ? 92  ILE   A H    1 c 2 
ATOM   2989 H HA   . ILE   B 1 80  ? 14.751 -8.943  1.57    1   28.453 ? 92  ILE   A HA   1 c 2 
ATOM   2990 H HB   . ILE   B 1 80  ? 13.419 -6.456  1.747   1   28.664 ? 92  ILE   A HB   1 c 2 
ATOM   2991 H HG12 . ILE   B 1 80  ? 12.137 -8.952  1.789   1   33.143 ? 92  ILE   A HG12 1 c 2 
ATOM   2992 H HG13 . ILE   B 1 80  ? 12.616 -8.241  3.118   1   31.929 ? 92  ILE   A HG13 1 c 2 
ATOM   2993 H HG21 . ILE   B 1 80  ? 12.1   -7.108  -0.175  1   31.716 ? 92  ILE   A HG21 1 c 2 
ATOM   2994 H HG22 . ILE   B 1 80  ? 13.194 -8.217  -0.465  1   32.294 ? 92  ILE   A HG22 1 c 2 
ATOM   2995 H HG23 . ILE   B 1 80  ? 13.584 -6.681  -0.522  1   30.781 ? 92  ILE   A HG23 1 c 2 
ATOM   2996 H HD11 . ILE   B 1 80  ? 11.167 -6.363  2.459   1   32.001 ? 92  ILE   A HD11 1 c 2 
ATOM   2997 H HD12 . ILE   B 1 80  ? 10.42  -7.675  2.965   1   33.733 ? 92  ILE   A HD12 1 c 2 
ATOM   2998 H HD13 . ILE   B 1 80  ? 10.522 -7.37   1.406   1   33.656 ? 92  ILE   A HD13 1 c 2 
ATOM   2999 N N    . GLY   B 1 81  ? 16.29  -6.162  0.945   1   24.914 ? 93  GLY   A N    1 ? 2 
ATOM   3000 C CA   . GLY   B 1 81  ? 17.072 -5.421  -0.02   1   25.604 ? 93  GLY   A CA   1 ? 2 
ATOM   3001 C C    . GLY   B 1 81  ? 18.516 -5.835  -0.093  1   26.246 ? 93  GLY   A C    1 ? 2 
ATOM   3002 O O    . GLY   B 1 81  ? 19.059 -6.106  -1.152  1   28.595 ? 93  GLY   A O    1 ? 2 
ATOM   3003 H H    . GLY   B 1 81  ? 16.088 -5.758  1.739   1   24.475 ? 93  GLY   A H    1 c 2 
ATOM   3004 H HA2  . GLY   B 1 81  ? 16.663 -5.534  -0.908  1   26.058 ? 93  GLY   A HA2  1 c 2 
ATOM   3005 H HA3  . GLY   B 1 81  ? 17.024 -4.462  0.207   1   24.894 ? 93  GLY   A HA3  1 c 2 
ATOM   3006 N N    . VAL   B 1 82  ? 19.106 -6.014  1.104   1   27.22  ? 94  VAL   A N    1 ? 2 
ATOM   3007 C CA   . VAL   B 1 82  ? 20.501 -6.402  1.163   1   28.463 ? 94  VAL   A CA   1 ? 2 
ATOM   3008 C C    . VAL   B 1 82  ? 20.681 -7.818  0.597   1   28.181 ? 94  VAL   A C    1 ? 2 
ATOM   3009 O O    . VAL   B 1 82  ? 21.716 -8.091  -0.019  1   32.66  ? 94  VAL   A O    1 ? 2 
ATOM   3010 C CB   . VAL   B 1 82  ? 21.097 -6.209  2.554   1   30.415 ? 94  VAL   A CB   1 ? 2 
ATOM   3011 C CG1  . VAL   B 1 82  ? 22.534 -6.729  2.609   1   37.722 ? 94  VAL   A CG1  1 ? 2 
ATOM   3012 C CG2  . VAL   B 1 82  ? 21.113 -4.744  2.919   1   29.434 ? 94  VAL   A CG2  1 ? 2 
ATOM   3013 H H    . VAL   B 1 82  ? 18.639 -5.888  1.879   1   26.633 ? 94  VAL   A H    1 c 2 
ATOM   3014 H HA   . VAL   B 1 82  ? 20.985 -5.797  0.567   1   28.578 ? 94  VAL   A HA   1 c 2 
ATOM   3015 H HB   . VAL   B 1 82  ? 20.542 -6.707  3.198   1   30.92  ? 94  VAL   A HB   1 c 2 
ATOM   3016 H HG11 . VAL   B 1 82  ? 22.993 -6.506  1.781   1   35.957 ? 94  VAL   A HG11 1 c 2 
ATOM   3017 H HG12 . VAL   B 1 82  ? 22.527 -7.694  2.725   1   36.272 ? 94  VAL   A HG12 1 c 2 
ATOM   3018 H HG13 . VAL   B 1 82  ? 23     -6.318  3.356   1   35.709 ? 94  VAL   A HG13 1 c 2 
ATOM   3019 H HG21 . VAL   B 1 82  ? 21.492 -4.634  3.807   1   29.705 ? 94  VAL   A HG21 1 c 2 
ATOM   3020 H HG22 . VAL   B 1 82  ? 20.206 -4.396  2.91    1   28.886 ? 94  VAL   A HG22 1 c 2 
ATOM   3021 H HG23 . VAL   B 1 82  ? 21.653 -4.255  2.275   1   29.734 ? 94  VAL   A HG23 1 c 2 
ATOM   3022 N N    . ALA   B 1 83  ? 19.677 -8.692  0.73    1   28.527 ? 95  ALA   A N    1 ? 2 
ATOM   3023 C CA   . ALA   B 1 83  ? 19.715 -10.036 0.182   1   29.019 ? 95  ALA   A CA   1 ? 2 
ATOM   3024 C C    . ALA   B 1 83  ? 19.826 -10.006 -1.337  1   35.314 ? 95  ALA   A C    1 ? 2 
ATOM   3025 O O    . ALA   B 1 83  ? 20.274 -10.977 -1.909  1   38.139 ? 95  ALA   A O    1 ? 2 
ATOM   3026 C CB   . ALA   B 1 83  ? 18.494 -10.841 0.603   1   32.889 ? 95  ALA   A CB   1 ? 2 
ATOM   3027 H H    . ALA   B 1 83  ? 18.933 -8.437  1.194   1   27.745 ? 95  ALA   A H    1 c 2 
ATOM   3028 H HA   . ALA   B 1 83  ? 20.531 -10.486 0.537   1   31.313 ? 95  ALA   A HA   1 c 2 
ATOM   3029 H HB1  . ALA   B 1 83  ? 18.439 -10.867 1.573   1   31.607 ? 95  ALA   A HB1  1 c 2 
ATOM   3030 H HB2  . ALA   B 1 83  ? 17.691 -10.427 0.246   1   31.459 ? 95  ALA   A HB2  1 c 2 
ATOM   3031 H HB3  . ALA   B 1 83  ? 18.566 -11.748 0.262   1   33.096 ? 95  ALA   A HB3  1 c 2 
ATOM   3032 N N    . THR   B 1 84  ? 19.421 -8.899  -1.989  1   32.225 ? 96  THR   A N    1 ? 2 
ATOM   3033 C CA   . THR   B 1 84  ? 19.487 -8.84   -3.447  1   32.574 ? 96  THR   A CA   1 ? 2 
ATOM   3034 C C    . THR   B 1 84  ? 20.829 -8.318  -3.941  1   33.367 ? 96  THR   A C    1 ? 2 
ATOM   3035 O O    . THR   B 1 84  ? 21.104 -8.377  -5.138  1   34.631 ? 96  THR   A O    1 ? 2 
ATOM   3036 C CB   . THR   B 1 84  ? 18.374 -7.947  -3.997  1   31.911 ? 96  THR   A CB   1 ? 2 
ATOM   3037 O OG1  . THR   B 1 84  ? 18.726 -6.59   -3.746  1   32.202 ? 96  THR   A OG1  1 ? 2 
ATOM   3038 C CG2  . THR   B 1 84  ? 16.979 -8.368  -3.555  1   33.503 ? 96  THR   A CG2  1 ? 2 
ATOM   3039 H H    . THR   B 1 84  ? 19.084 -8.185  -1.529  1   31.442 ? 96  THR   A H    1 c 2 
ATOM   3040 H HA   . THR   B 1 84  ? 19.356 -9.747  -3.8    1   33.949 ? 96  THR   A HA   1 c 2 
ATOM   3041 H HB   . THR   B 1 84  ? 18.378 -8.073  -4.975  1   33.8   ? 96  THR   A HB   1 c 2 
ATOM   3042 H HG1  . THR   B 1 84  ? 18.804 -6.463  -2.902  0   30     ? 96  THR   A HG1  1 c 2 
ATOM   3043 H HG21 . THR   B 1 84  ? 16.317 -7.815  -4.003  1   33.005 ? 96  THR   A HG21 1 c 2 
ATOM   3044 H HG22 . THR   B 1 84  ? 16.895 -8.256  -2.595  1   31.948 ? 96  THR   A HG22 1 c 2 
ATOM   3045 H HG23 . THR   B 1 84  ? 16.832 -9.3    -3.787  1   34.072 ? 96  THR   A HG23 1 c 2 
ATOM   3046 N N    . MET   B 1 85  ? 21.715 -7.897  -3.055  1   31.818 ? 97  MET   A N    1 ? 2 
ATOM   3047 C CA   . MET   B 1 85  ? 22.907 -7.15   -3.457  1   34.617 ? 97  MET   A CA   1 ? 2 
ATOM   3048 C C    . MET   B 1 85  ? 24.138 -8.042  -3.604  1   35.232 ? 97  MET   A C    1 ? 2 
ATOM   3049 O O    . MET   B 1 85  ? 24.297 -9.041  -2.895  1   34.679 ? 97  MET   A O    1 ? 2 
ATOM   3050 C CB   . MET   B 1 85  ? 23.219 -6.08   -2.414  1   31.002 ? 97  MET   A CB   1 ? 2 
ATOM   3051 C CG   . MET   B 1 85  ? 22.11  -5.016  -2.299  1   31.022 ? 97  MET   A CG   1 ? 2 
ATOM   3052 S SD   . MET   B 1 85  ? 22.498 -3.732  -1.078  1   30.643 ? 97  MET   A SD   1 ? 2 
ATOM   3053 C CE   . MET   B 1 85  ? 23.927 -2.927  -1.837  1   32.775 ? 97  MET   A CE   1 ? 2 
ATOM   3054 H H    . MET   B 1 85  ? 21.589 -8.075  -2.168  1   31.755 ? 97  MET   A H    1 c 2 
ATOM   3055 H HA   . MET   B 1 85  ? 22.724 -6.714  -4.327  1   34.137 ? 97  MET   A HA   1 c 2 
ATOM   3056 H HB2  . MET   B 1 85  ? 23.34  -6.514  -1.542  1   31.421 ? 97  MET   A HB2  1 c 2 
ATOM   3057 H HB3  . MET   B 1 85  ? 24.063 -5.643  -2.653  1   32.573 ? 97  MET   A HB3  1 c 2 
ATOM   3058 H HG2  . MET   B 1 85  ? 21.978 -4.592  -3.169  1   31.4   ? 97  MET   A HG2  1 c 2 
ATOM   3059 H HG3  . MET   B 1 85  ? 21.273 -5.447  -2.045  1   30.238 ? 97  MET   A HG3  1 c 2 
ATOM   3060 H HE1  . MET   B 1 85  ? 24.224 -2.193  -1.269  1   32.501 ? 97  MET   A HE1  1 c 2 
ATOM   3061 H HE2  . MET   B 1 85  ? 24.651 -3.573  -1.934  1   33.489 ? 97  MET   A HE2  1 c 2 
ATOM   3062 H HE3  . MET   B 1 85  ? 23.678 -2.581  -2.714  1   33.183 ? 97  MET   A HE3  1 c 2 
ATOM   3063 N N    . LYS   B 1 86  ? 25.002 -7.697  -4.569  1   37.334 ? 98  LYS   A N    1 ? 2 
ATOM   3064 C CA   . LYS   B 1 86  ? 26.258 -8.409  -4.777  1   40.714 ? 98  LYS   A CA   1 ? 2 
ATOM   3065 C C    . LYS   B 1 86  ? 27.374 -7.696  -4.023  1   38.438 ? 98  LYS   A C    1 ? 2 
ATOM   3066 O O    . LYS   B 1 86  ? 27.288 -6.487  -3.755  1   39.568 ? 98  LYS   A O    1 ? 2 
ATOM   3067 C CB   . LYS   B 1 86  ? 26.547 -8.445  -6.28   1   45.287 ? 98  LYS   A CB   1 ? 2 
ATOM   3068 C CG   . LYS   B 1 86  ? 25.581 -9.201  -7.184  1   49.93  ? 98  LYS   A CG   1 ? 2 
ATOM   3069 C CD   . LYS   B 1 86  ? 26.039 -8.948  -8.625  1   58.588 ? 98  LYS   A CD   1 ? 2 
ATOM   3070 C CE   . LYS   B 1 86  ? 25.354 -9.828  -9.628  1   59.628 ? 98  LYS   A CE   1 ? 2 
ATOM   3071 N NZ   . LYS   B 1 86  ? 23.91  -9.681  -9.437  1   57.215 ? 98  LYS   A NZ   1 ? 2 
ATOM   3072 H H    . LYS   B 1 86  ? 24.803 -6.991  -5.115  1   37.671 ? 98  LYS   A H    1 c 2 
ATOM   3073 H HA   . LYS   B 1 86  ? 26.168 -9.333  -4.433  1   40.494 ? 98  LYS   A HA   1 c 2 
ATOM   3074 H HB2  . LYS   B 1 86  ? 26.592 -7.519  -6.598  1   45.575 ? 98  LYS   A HB2  1 c 2 
ATOM   3075 H HB3  . LYS   B 1 86  ? 27.439 -8.836  -6.402  1   47.043 ? 98  LYS   A HB3  1 c 2 
ATOM   3076 H HG2  . LYS   B 1 86  ? 25.614 -10.161 -6.98   1   50.691 ? 98  LYS   A HG2  1 c 2 
ATOM   3077 H HG3  . LYS   B 1 86  ? 24.669 -8.864  -7.052  1   48.952 ? 98  LYS   A HG3  1 c 2 
ATOM   3078 H HD2  . LYS   B 1 86  ? 25.865 -8.009  -8.853  1   56.591 ? 98  LYS   A HD2  1 c 2 
ATOM   3079 H HD3  . LYS   B 1 86  ? 27.008 -9.094  -8.683  1   58.112 ? 98  LYS   A HD3  1 c 2 
ATOM   3080 H HE2  . LYS   B 1 86  ? 25.593 -9.561  -10.534 1   61.444 ? 98  LYS   A HE2  1 c 2 
ATOM   3081 H HE3  . LYS   B 1 86  ? 25.606 -10.758 -9.493  1   60.316 ? 98  LYS   A HE3  1 c 2 
ATOM   3082 H HZ1  . LYS   B 1 86  ? 23.7   -8.821  -9.244  1   56.196 ? 98  LYS   A HZ1  1 c 2 
ATOM   3083 H HZ2  . LYS   B 1 86  ? 23.63  -10.217 -8.762  1   56.393 ? 98  LYS   A HZ2  1 c 2 
ATOM   3084 H HZ3  . LYS   B 1 86  ? 23.481 -9.922  -10.198 1   58.769 ? 98  LYS   A HZ3  1 c 2 
ATOM   3085 N N    . LYS   B 1 87  ? 28.508 -8.364  -3.791  1   40.609 ? 99  LYS   A N    1 ? 2 
ATOM   3086 C CA   . LYS   B 1 87  ? 29.618 -7.69   -3.115  1   40.862 ? 99  LYS   A CA   1 ? 2 
ATOM   3087 C C    . LYS   B 1 87  ? 30.152 -6.522  -3.944  1   41.141 ? 99  LYS   A C    1 ? 2 
ATOM   3088 O O    . LYS   B 1 87  ? 30.364 -6.671  -5.12   1   44.579 ? 99  LYS   A O    1 ? 2 
ATOM   3089 C CB   . LYS   B 1 87  ? 30.755 -8.68   -2.925  1   47.124 ? 99  LYS   A CB   1 ? 2 
ATOM   3090 C CG   . LYS   B 1 87  ? 31.78  -8.215  -1.923  1   51.827 ? 99  LYS   A CG   1 ? 2 
ATOM   3091 C CD   . LYS   B 1 87  ? 32.992 -9.119  -1.805  1   58.218 ? 99  LYS   A CD   1 ? 2 
ATOM   3092 C CE   . LYS   B 1 87  ? 34.077 -8.564  -0.919  1   59.662 ? 99  LYS   A CE   1 ? 2 
ATOM   3093 N NZ   . LYS   B 1 87  ? 35.185 -9.526  -1.02   1   64.107 ? 99  LYS   A NZ   1 ? 2 
ATOM   3094 H H    . LYS   B 1 87  ? 28.597 -9.235  -4.052  1   41.417 ? 99  LYS   A H    1 c 2 
ATOM   3095 H HA   . LYS   B 1 87  ? 29.304 -7.358  -2.235  1   40.021 ? 99  LYS   A HA   1 c 2 
ATOM   3096 H HB2  . LYS   B 1 87  ? 30.388 -9.538  -2.623  1   46.599 ? 99  LYS   A HB2  1 c 2 
ATOM   3097 H HB3  . LYS   B 1 87  ? 31.202 -8.83   -3.786  1   48.562 ? 99  LYS   A HB3  1 c 2 
ATOM   3098 H HG2  . LYS   B 1 87  ? 32.08  -7.315  -2.176  1   51.908 ? 99  LYS   A HG2  1 c 2 
ATOM   3099 H HG3  . LYS   B 1 87  ? 31.347 -8.149  -1.044  1   50.206 ? 99  LYS   A HG3  1 c 2 
ATOM   3100 H HD2  . LYS   B 1 87  ? 32.704 -9.987  -1.449  1   57.144 ? 99  LYS   A HD2  1 c 2 
ATOM   3101 H HD3  . LYS   B 1 87  ? 33.36  -9.27   -2.702  1   58.902 ? 99  LYS   A HD3  1 c 2 
ATOM   3102 H HE2  . LYS   B 1 87  ? 34.367 -7.686  -1.227  1   60.361 ? 99  LYS   A HE2  1 c 2 
ATOM   3103 H HE3  . LYS   B 1 87  ? 33.775 -8.504  0.005   1   58.713 ? 99  LYS   A HE3  1 c 2 
ATOM   3104 H HZ1  . LYS   B 1 87  ? 35.495 -9.555  -1.871  1   64.861 ? 99  LYS   A HZ1  1 c 2 
ATOM   3105 H HZ2  . LYS   B 1 87  ? 34.904 -10.353 -0.776  1   63.383 ? 99  LYS   A HZ2  1 c 2 
ATOM   3106 H HZ3  . LYS   B 1 87  ? 35.858 -9.271  -0.47   1   64.631 ? 99  LYS   A HZ3  1 c 2 
ATOM   3107 N N    . GLY   B 1 88  ? 30.407 -5.374  -3.319  1   39.807 ? 100 GLY   A N    1 ? 2 
ATOM   3108 C CA   . GLY   B 1 88  ? 30.856 -4.158  -3.988  1   40.682 ? 100 GLY   A CA   1 ? 2 
ATOM   3109 C C    . GLY   B 1 88  ? 29.713 -3.307  -4.544  1   40.565 ? 100 GLY   A C    1 ? 2 
ATOM   3110 O O    . GLY   B 1 88  ? 29.984 -2.212  -4.969  1   41.718 ? 100 GLY   A O    1 ? 2 
ATOM   3111 H H    . GLY   B 1 88  ? 30.297 -5.345  -2.413  1   38.876 ? 100 GLY   A H    1 c 2 
ATOM   3112 H HA2  . GLY   B 1 88  ? 31.375 -3.619  -3.346  1   41.317 ? 100 GLY   A HA2  1 c 2 
ATOM   3113 H HA3  . GLY   B 1 88  ? 31.462 -4.405  -4.725  1   43.018 ? 100 GLY   A HA3  1 c 2 
ATOM   3114 N N    . GLU   B 1 89  ? 28.449 -3.804  -4.511  1   38.343 ? 101 GLU   A N    1 ? 2 
ATOM   3115 C CA   . GLU   B 1 89  ? 27.312 -3.076  -5.063  1   35.97  ? 101 GLU   A CA   1 ? 2 
ATOM   3116 C C    . GLU   B 1 89  ? 26.962 -1.881  -4.159  1   36.221 ? 101 GLU   A C    1 ? 2 
ATOM   3117 O O    . GLU   B 1 89  ? 27.024 -1.98   -2.939  1   32.543 ? 101 GLU   A O    1 ? 2 
ATOM   3118 C CB   . GLU   B 1 89  ? 26.121 -4.023  -5.196  1   36.221 ? 101 GLU   A CB   1 ? 2 
ATOM   3119 C CG   . GLU   B 1 89  ? 24.842 -3.417  -5.796  1   36.099 ? 101 GLU   A CG   1 ? 2 
ATOM   3120 C CD   . GLU   B 1 89  ? 23.713 -4.427  -5.939  1   37.363 ? 101 GLU   A CD   1 ? 2 
ATOM   3121 O OE1  . GLU   B 1 89  ? 23.934 -5.585  -6.374  1   37.355 ? 101 GLU   A OE1  1 ? 2 
ATOM   3122 O OE2  . GLU   B 1 89  ? 22.596 -4.064  -5.601  1   36.232 ? 101 GLU   A OE2  1 ? 2 
ATOM   3123 H H    . GLU   B 1 89  ? 28.298 -4.618  -4.125  1   37.438 ? 101 GLU   A H    1 c 2 
ATOM   3124 H HA   . GLU   B 1 89  ? 27.564 -2.743  -5.959  1   38.458 ? 101 GLU   A HA   1 c 2 
ATOM   3125 H HB2  . GLU   B 1 89  ? 26.39  -4.785  -5.75   1   37.143 ? 101 GLU   A HB2  1 c 2 
ATOM   3126 H HB3  . GLU   B 1 89  ? 25.899 -4.368  -4.306  1   34.671 ? 101 GLU   A HB3  1 c 2 
ATOM   3127 H HG2  . GLU   B 1 89  ? 24.534 -2.681  -5.226  1   35.334 ? 101 GLU   A HG2  1 c 2 
ATOM   3128 H HG3  . GLU   B 1 89  ? 25.046 -3.048  -6.681  1   37.943 ? 101 GLU   A HG3  1 c 2 
ATOM   3129 N N    . ILE   B 1 90  ? 26.554 -0.78   -4.794  1   36.553 ? 102 ILE   A N    1 ? 2 
ATOM   3130 C CA   . ILE   B 1 90  ? 25.878 0.305   -4.101  1   36.347 ? 102 ILE   A CA   1 ? 2 
ATOM   3131 C C    . ILE   B 1 90  ? 24.48  0.45    -4.656  1   34.724 ? 102 ILE   A C    1 ? 2 
ATOM   3132 O O    . ILE   B 1 90  ? 24.275 0.506   -5.864  1   37.926 ? 102 ILE   A O    1 ? 2 
ATOM   3133 C CB   . ILE   B 1 90  ? 26.629 1.636   -4.184  1   36.746 ? 102 ILE   A CB   1 ? 2 
ATOM   3134 C CG1  . ILE   B 1 90  ? 28.076 1.485   -3.774  1   40.366 ? 102 ILE   A CG1  1 ? 2 
ATOM   3135 C CG2  . ILE   B 1 90  ? 25.9   2.696   -3.327  1   33.121 ? 102 ILE   A CG2  1 ? 2 
ATOM   3136 C CD1  . ILE   B 1 90  ? 28.893 2.756   -3.782  1   44.415 ? 102 ILE   A CD1  1 ? 2 
ATOM   3137 H H    . ILE   B 1 90  ? 26.703 -0.7    -5.692  1   38.247 ? 102 ILE   A H    1 c 2 
ATOM   3138 H HA   . ILE   B 1 90  ? 25.809 0.062   -3.161  1   34.453 ? 102 ILE   A HA   1 c 2 
ATOM   3139 H HB   . ILE   B 1 90  ? 26.61  1.934   -5.116  1   38.249 ? 102 ILE   A HB   1 c 2 
ATOM   3140 H HG12 . ILE   B 1 90  ? 28.101 1.108   -2.871  1   39.111 ? 102 ILE   A HG12 1 c 2 
ATOM   3141 H HG13 . ILE   B 1 90  ? 28.503 0.84    -4.374  1   41.256 ? 102 ILE   A HG13 1 c 2 
ATOM   3142 H HG21 . ILE   B 1 90  ? 26.369 3.545   -3.385  1   35.19  ? 102 ILE   A HG21 1 c 2 
ATOM   3143 H HG22 . ILE   B 1 90  ? 25.876 2.405   -2.4    1   32.615 ? 102 ILE   A HG22 1 c 2 
ATOM   3144 H HG23 . ILE   B 1 90  ? 24.991 2.813   -3.65   1   33.077 ? 102 ILE   A HG23 1 c 2 
ATOM   3145 H HD11 . ILE   B 1 90  ? 28.764 3.222   -4.631  1   45.051 ? 102 ILE   A HD11 1 c 2 
ATOM   3146 H HD12 . ILE   B 1 90  ? 29.837 2.538   -3.674  1   45.223 ? 102 ILE   A HD12 1 c 2 
ATOM   3147 H HD13 . ILE   B 1 90  ? 28.611 3.336   -3.049  1   42.994 ? 102 ILE   A HD13 1 c 2 
ATOM   3148 N N    . ALA   B 1 91  ? 23.526 0.514   -3.76   1   29.846 ? 103 ALA   A N    1 ? 2 
ATOM   3149 C CA   . ALA   B 1 91  ? 22.118 0.599   -4.067  1   30.17  ? 103 ALA   A CA   1 ? 2 
ATOM   3150 C C    . ALA   B 1 91  ? 21.403 1.683   -3.239  1   30.013 ? 103 ALA   A C    1 ? 2 
ATOM   3151 O O    . ALA   B 1 91  ? 21.822 2.081   -2.127  1   32.428 ? 103 ALA   A O    1 ? 2 
ATOM   3152 C CB   . ALA   B 1 91  ? 21.467 -0.733  -3.837  1   30.196 ? 103 ALA   A CB   1 ? 2 
ATOM   3153 H H    . ALA   B 1 91  ? 23.766 0.507   -2.878  1   30.089 ? 103 ALA   A H    1 c 2 
ATOM   3154 H HA   . ALA   B 1 91  ? 22.029 0.837   -5.029  1   31.523 ? 103 ALA   A HA   1 c 2 
ATOM   3155 H HB1  . ALA   B 1 91  ? 21.879 -1.402  -4.408  1   30.71  ? 103 ALA   A HB1  1 c 2 
ATOM   3156 H HB2  . ALA   B 1 91  ? 21.575 -0.994  -2.907  1   28.892 ? 103 ALA   A HB2  1 c 2 
ATOM   3157 H HB3  . ALA   B 1 91  ? 20.519 -0.674  -4.045  1   29.48  ? 103 ALA   A HB3  1 c 2 
ATOM   3158 N N    . HIS   B 1 92  ? 20.332 2.199   -3.844  1   27.675 ? 104 HIS   A N    1 ? 2 
ATOM   3159 C CA   . HIS   B 1 92  ? 19.372 3.073   -3.202  1   27.281 ? 104 HIS   A CA   1 ? 2 
ATOM   3160 C C    . HIS   B 1 92  ? 18.071 2.298   -2.946  1   29.34  ? 104 HIS   A C    1 ? 2 
ATOM   3161 O O    . HIS   B 1 92  ? 17.567 1.605   -3.842  1   30.865 ? 104 HIS   A O    1 ? 2 
ATOM   3162 C CB   . HIS   B 1 92  ? 19.085 4.326   -4.025  1   28.725 ? 104 HIS   A CB   1 ? 2 
ATOM   3163 C CG   . HIS   B 1 92  ? 20.172 5.291   -4.072  1   28.755 ? 104 HIS   A CG   1 ? 2 
ATOM   3164 N ND1  . HIS   B 1 92  ? 20.121 6.428   -4.827  1   28.869 ? 104 HIS   A ND1  1 ? 2 
ATOM   3165 C CD2  . HIS   B 1 92  ? 21.31  5.34    -3.378  1   27.678 ? 104 HIS   A CD2  1 ? 2 
ATOM   3166 C CE1  . HIS   B 1 92  ? 21.221 7.111   -4.652  1   31.279 ? 104 HIS   A CE1  1 ? 2 
ATOM   3167 N NE2  . HIS   B 1 92  ? 21.965 6.46    -3.763  1   29.848 ? 104 HIS   A NE2  1 ? 2 
ATOM   3168 H H    . HIS   B 1 92  ? 20.192 1.989   -4.722  1   29.233 ? 104 HIS   A H    1 c 2 
ATOM   3169 H HA   . HIS   B 1 92  ? 19.745 3.349   -2.332  1   27.232 ? 104 HIS   A HA   1 c 2 
ATOM   3170 H HB2  . HIS   B 1 92  ? 18.867 4.052   -4.943  1   29.254 ? 104 HIS   A HB2  1 c 2 
ATOM   3171 H HB3  . HIS   B 1 92  ? 18.288 4.766   -3.656  1   27.913 ? 104 HIS   A HB3  1 c 2 
ATOM   3172 H HD1  . HIS   B 1 92  ? 19.468 6.661   -5.361  0   30     ? 104 HIS   A HD1  1 c 2 
ATOM   3173 H HD2  . HIS   B 1 92  ? 21.627 4.702   -2.77   1   27.121 ? 104 HIS   A HD2  1 c 2 
ATOM   3174 H HE1  . HIS   B 1 92  ? 21.439 7.925   -5.069  1   32.73  ? 104 HIS   A HE1  1 c 2 
ATOM   3175 H HE2  . HIS   B 1 92  ? 22.753 6.726   -3.459  0   30     ? 104 HIS   A HE2  1 c 2 
ATOM   3176 N N    . LEU   B 1 93  ? 17.575 2.453   -1.731  1   24.764 ? 105 LEU   A N    1 ? 2 
ATOM   3177 C CA   . LEU   B 1 93  ? 16.307 1.91    -1.273  1   26.603 ? 105 LEU   A CA   1 ? 2 
ATOM   3178 C C    . LEU   B 1 93  ? 15.423 3.05    -0.827  1   26.467 ? 105 LEU   A C    1 ? 2 
ATOM   3179 O O    . LEU   B 1 93  ? 15.776 3.864   0.053   1   26.317 ? 105 LEU   A O    1 ? 2 
ATOM   3180 C CB   . LEU   B 1 93  ? 16.442 0.889   -0.135  1   23.415 ? 105 LEU   A CB   1 ? 2 
ATOM   3181 C CG   . LEU   B 1 93  ? 17.28  -0.368  -0.322  1   25.624 ? 105 LEU   A CG   1 ? 2 
ATOM   3182 C CD1  . LEU   B 1 93  ? 17.231 -1.328  0.788   1   27.09  ? 105 LEU   A CD1  1 ? 2 
ATOM   3183 C CD2  . LEU   B 1 93  ? 16.809 -1.165  -1.576  1   27.529 ? 105 LEU   A CD2  1 ? 2 
ATOM   3184 H H    . LEU   B 1 93  ? 18.065 2.939   -1.131  1   26.016 ? 105 LEU   A H    1 c 2 
ATOM   3185 H HA   . LEU   B 1 93  ? 15.876 1.467   -2.042  1   26.076 ? 105 LEU   A HA   1 c 2 
ATOM   3186 H HB2  . LEU   B 1 93  ? 16.793 1.368   0.651   1   24.126 ? 105 LEU   A HB2  1 c 2 
ATOM   3187 H HB3  . LEU   B 1 93  ? 15.533 0.607   0.118   1   24.097 ? 105 LEU   A HB3  1 c 2 
ATOM   3188 H HG   . LEU   B 1 93  ? 18.224 -0.097  -0.46   1   26.15  ? 105 LEU   A HG   1 c 2 
ATOM   3189 H HD11 . LEU   B 1 93  ? 17.476 -0.881  1.615   1   26.168 ? 105 LEU   A HD11 1 c 2 
ATOM   3190 H HD12 . LEU   B 1 93  ? 17.852 -2.055  0.617   1   26.686 ? 105 LEU   A HD12 1 c 2 
ATOM   3191 H HD13 . LEU   B 1 93  ? 16.33  -1.685  0.869   1   26.315 ? 105 LEU   A HD13 1 c 2 
ATOM   3192 H HD21 . LEU   B 1 93  ? 16.929 -0.621  -2.373  1   27.89  ? 105 LEU   A HD21 1 c 2 
ATOM   3193 H HD22 . LEU   B 1 93  ? 15.869 -1.395  -1.481  1   27.06  ? 105 LEU   A HD22 1 c 2 
ATOM   3194 H HD23 . LEU   B 1 93  ? 17.333 -1.979  -1.661  1   27.389 ? 105 LEU   A HD23 1 c 2 
ATOM   3195 N N    . LEU   B 1 94  ? 14.161 2.93    -1.242  1   25.302 ? 106 LEU   A N    1 ? 2 
ATOM   3196 C CA   . LEU   B 1 94  ? 13.085 3.746   -0.765  1   23.76  ? 106 LEU   A CA   1 ? 2 
ATOM   3197 C C    . LEU   B 1 94  ? 12.012 2.82    -0.162  1   27.569 ? 106 LEU   A C    1 ? 2 
ATOM   3198 O O    . LEU   B 1 94  ? 11.561 1.875   -0.831  1   26.624 ? 106 LEU   A O    1 ? 2 
ATOM   3199 C CB   . LEU   B 1 94  ? 12.496 4.673   -1.805  1   25.654 ? 106 LEU   A CB   1 ? 2 
ATOM   3200 C CG   . LEU   B 1 94  ? 11.452 5.687   -1.321  1   28.748 ? 106 LEU   A CG   1 ? 2 
ATOM   3201 C CD1  . LEU   B 1 94  ? 12.067 6.812   -0.463  1   28.475 ? 106 LEU   A CD1  1 ? 2 
ATOM   3202 C CD2  . LEU   B 1 94  ? 10.748 6.294   -2.565  1   31.465 ? 106 LEU   A CD2  1 ? 2 
ATOM   3203 H H    . LEU   B 1 94  ? 13.968 2.292   -1.867  1   25.532 ? 106 LEU   A H    1 c 2 
ATOM   3204 H HA   . LEU   B 1 94  ? 13.44  4.302   -0.027  1   24.667 ? 106 LEU   A HA   1 c 2 
ATOM   3205 H HB2  . LEU   B 1 94  ? 13.236 5.169   -2.225  1   26.658 ? 106 LEU   A HB2  1 c 2 
ATOM   3206 H HB3  . LEU   B 1 94  ? 12.085 4.119   -2.508  1   26.578 ? 106 LEU   A HB3  1 c 2 
ATOM   3207 H HG   . LEU   B 1 94  ? 10.774 5.21    -0.777  1   27.881 ? 106 LEU   A HG   1 c 2 
ATOM   3208 H HD11 . LEU   B 1 94  ? 12.437 6.434   0.352   1   27.63  ? 106 LEU   A HD11 1 c 2 
ATOM   3209 H HD12 . LEU   B 1 94  ? 11.379 7.46    -0.235  1   29.166 ? 106 LEU   A HD12 1 c 2 
ATOM   3210 H HD13 . LEU   B 1 94  ? 12.773 7.253   -0.964  1   29.208 ? 106 LEU   A HD13 1 c 2 
ATOM   3211 H HD21 . LEU   B 1 94  ? 10.296 5.589   -3.059  1   31.407 ? 106 LEU   A HD21 1 c 2 
ATOM   3212 H HD22 . LEU   B 1 94  ? 11.41  6.717   -3.138  1   31.907 ? 106 LEU   A HD22 1 c 2 
ATOM   3213 H HD23 . LEU   B 1 94  ? 10.097 6.956   -2.279  1   31.745 ? 106 LEU   A HD23 1 c 2 
ATOM   3214 N N    . ILE   B 1 95  ? 11.585 3.104   1.078   1   23.662 ? 107 ILE   A N    1 ? 2 
ATOM   3215 C CA   . ILE   B 1 95  ? 10.895 2.099   1.913   1   25.918 ? 107 ILE   A CA   1 ? 2 
ATOM   3216 C C    . ILE   B 1 95  ? 9.635  2.659   2.544   1   25.623 ? 107 ILE   A C    1 ? 2 
ATOM   3217 O O    . ILE   B 1 95  ? 9.684  3.647   3.294   1   26.993 ? 107 ILE   A O    1 ? 2 
ATOM   3218 C CB   . ILE   B 1 95  ? 11.814 1.62    3.052   1   23.171 ? 107 ILE   A CB   1 ? 2 
ATOM   3219 C CG1  . ILE   B 1 95  ? 13.115 1.103   2.527   1   23.117 ? 107 ILE   A CG1  1 ? 2 
ATOM   3220 C CG2  . ILE   B 1 95  ? 11.119 0.634   3.975   1   23.417 ? 107 ILE   A CG2  1 ? 2 
ATOM   3221 C CD1  . ILE   B 1 95  ? 14.235 1.017   3.554   1   22.698 ? 107 ILE   A CD1  1 ? 2 
ATOM   3222 H H    . ILE   B 1 95  ? 11.719 3.941   1.418   1   25.129 ? 107 ILE   A H    1 c 2 
ATOM   3223 H HA   . ILE   B 1 95  ? 10.661 1.333   1.358   1   25.07  ? 107 ILE   A HA   1 c 2 
ATOM   3224 H HB   . ILE   B 1 95  ? 12.026 2.408   3.591   1   23.662 ? 107 ILE   A HB   1 c 2 
ATOM   3225 H HG12 . ILE   B 1 95  ? 12.966 0.21    2.154   1   23.064 ? 107 ILE   A HG12 1 c 2 
ATOM   3226 H HG13 . ILE   B 1 95  ? 13.413 1.682   1.797   1   23.249 ? 107 ILE   A HG13 1 c 2 
ATOM   3227 H HG21 . ILE   B 1 95  ? 11.778 0.16    4.506   1   23.156 ? 107 ILE   A HG21 1 c 2 
ATOM   3228 H HG22 . ILE   B 1 95  ? 10.613 -0.005  3.445   1   23.722 ? 107 ILE   A HG22 1 c 2 
ATOM   3229 H HG23 . ILE   B 1 95  ? 10.514 1.111   4.567   1   23.814 ? 107 ILE   A HG23 1 c 2 
ATOM   3230 H HD11 . ILE   B 1 95  ? 14.404 1.905   3.921   1   22.887 ? 107 ILE   A HD11 1 c 2 
ATOM   3231 H HD12 . ILE   B 1 95  ? 15.046 0.685   3.124   1   22.643 ? 107 ILE   A HD12 1 c 2 
ATOM   3232 H HD13 . ILE   B 1 95  ? 13.982 0.413   4.276   1   22.724 ? 107 ILE   A HD13 1 c 2 
ATOM   3233 N N    . LYS   B 1 96  ? 8.472  2.053   2.219   1   28.744 ? 108 LYS   A N    1 ? 2 
ATOM   3234 C CA   . LYS   B 1 96  ? 7.23   2.437   2.87    1   28.168 ? 108 LYS   A CA   1 ? 2 
ATOM   3235 C C    . LYS   B 1 96  ? 7.173  1.898   4.308   1   26.624 ? 108 LYS   A C    1 ? 2 
ATOM   3236 O O    . LYS   B 1 96  ? 7.85   0.925   4.646   1   26.669 ? 108 LYS   A O    1 ? 2 
ATOM   3237 C CB   . LYS   B 1 96  ? 6.034  1.931   2.06    1   30.256 ? 108 LYS   A CB   1 ? 2 
ATOM   3238 C CG   . LYS   B 1 96  ? 5.942  2.374   0.585   1   31.075 ? 108 LYS   A CG   1 ? 2 
ATOM   3239 C CD   . LYS   B 1 96  ? 4.64   1.883   -0.074  1   38.755 ? 108 LYS   A CD   1 ? 2 
ATOM   3240 C CE   . LYS   B 1 96  ? 4.418  2.42    -1.484  1   43.158 ? 108 LYS   A CE   1 ? 2 
ATOM   3241 N NZ   . LYS   B 1 96  ? 3.373  1.605   -2.126  1   48.956 ? 108 LYS   A NZ   1 ? 2 
ATOM   3242 H H    . LYS   B 1 96  ? 8.459  1.393   1.586   1   27.931 ? 108 LYS   A H    1 c 2 
ATOM   3243 H HA   . LYS   B 1 96  ? 7.192  3.426   2.898   1   28.594 ? 108 LYS   A HA   1 c 2 
ATOM   3244 H HB2  . LYS   B 1 96  ? 6.05   0.951   2.079   1   30.079 ? 108 LYS   A HB2  1 c 2 
ATOM   3245 H HB3  . LYS   B 1 96  ? 5.212  2.216   2.51    1   30.987 ? 108 LYS   A HB3  1 c 2 
ATOM   3246 H HG2  . LYS   B 1 96  ? 5.98   3.354   0.543   1   32.41  ? 108 LYS   A HG2  1 c 2 
ATOM   3247 H HG3  . LYS   B 1 96  ? 6.712  2.012   0.095   1   31.674 ? 108 LYS   A HG3  1 c 2 
ATOM   3248 H HD2  . LYS   B 1 96  ? 4.655  0.901   -0.106  1   37.936 ? 108 LYS   A HD2  1 c 2 
ATOM   3249 H HD3  . LYS   B 1 96  ? 3.882  2.149   0.49    1   38.613 ? 108 LYS   A HD3  1 c 2 
ATOM   3250 H HE2  . LYS   B 1 96  ? 4.131  3.35    -1.449  1   43.776 ? 108 LYS   A HE2  1 c 2 
ATOM   3251 H HE3  . LYS   B 1 96  ? 5.241  2.363   -2.002  1   42.642 ? 108 LYS   A HE3  1 c 2 
ATOM   3252 H HZ1  . LYS   B 1 96  ? 2.6    1.676   -1.657  1   48.317 ? 108 LYS   A HZ1  1 c 2 
ATOM   3253 H HZ2  . LYS   B 1 96  ? 3.626  0.736   -2.147  1   47.14  ? 108 LYS   A HZ2  1 c 2 
ATOM   3254 H HZ3  . LYS   B 1 96  ? 3.233  1.898   -2.971  1   48.541 ? 108 LYS   A HZ3  1 c 2 
ATOM   3255 N N    . PRO   B 1 97  ? 6.353  2.511   5.185   1   29.792 ? 109 PRO   A N    1 ? 2 
ATOM   3256 C CA   . PRO   B 1 97  ? 6.395  2.277   6.621   1   30.725 ? 109 PRO   A CA   1 ? 2 
ATOM   3257 C C    . PRO   B 1 97  ? 6.171  0.826   7.016   1   29.233 ? 109 PRO   A C    1 ? 2 
ATOM   3258 O O    . PRO   B 1 97  ? 6.76   0.323   7.963   1   28.928 ? 109 PRO   A O    1 ? 2 
ATOM   3259 C CB   . PRO   B 1 97  ? 5.307  3.193   7.189   1   33.601 ? 109 PRO   A CB   1 ? 2 
ATOM   3260 C CG   . PRO   B 1 97  ? 4.78   4.049   6.049   1   33.366 ? 109 PRO   A CG   1 ? 2 
ATOM   3261 C CD   . PRO   B 1 97  ? 5.459  3.631   4.839   1   34.28  ? 109 PRO   A CD   1 ? 2 
ATOM   3262 H HA   . PRO   B 1 97  ? 7.277  2.576   6.957   1   29.781 ? 109 PRO   A HA   1 c 2 
ATOM   3263 H HB2  . PRO   B 1 97  ? 4.576  2.659   7.581   1   34.16  ? 109 PRO   A HB2  1 c 2 
ATOM   3264 H HB3  . PRO   B 1 97  ? 5.677  3.763   7.903   1   33.201 ? 109 PRO   A HB3  1 c 2 
ATOM   3265 H HG2  . PRO   B 1 97  ? 3.812  3.93    5.953   1   35.112 ? 109 PRO   A HG2  1 c 2 
ATOM   3266 H HG3  . PRO   B 1 97  ? 4.957  4.996   6.223   1   34.051 ? 109 PRO   A HG3  1 c 2 
ATOM   3267 H HD2  . PRO   B 1 97  ? 4.802  3.35    4.166   1   33.578 ? 109 PRO   A HD2  1 c 2 
ATOM   3268 H HD3  . PRO   B 1 97  ? 5.975  4.38    4.466   1   32.551 ? 109 PRO   A HD3  1 c 2 
ATOM   3269 N N    . GLU   B 1 98  ? 5.389  0.12    6.215   1   30.558 ? 110 GLU   A N    1 ? 2 
ATOM   3270 C CA   . GLU   B 1 98  ? 5.045  -1.268  6.484   1   32.127 ? 110 GLU   A CA   1 ? 2 
ATOM   3271 C C    . GLU   B 1 98  ? 6.312  -2.12   6.479   1   29.104 ? 110 GLU   A C    1 ? 2 
ATOM   3272 O O    . GLU   B 1 98  ? 6.267  -3.141  7.129   1   30.402 ? 110 GLU   A O    1 ? 2 
ATOM   3273 C CB   . GLU   B 1 98  ? 4.02   -1.823  5.481   1   35.181 ? 110 GLU   A CB   1 ? 2 
ATOM   3274 C CG   . GLU   B 1 98  ? 2.696  -1.073  5.509   1   40.457 ? 110 GLU   A CG   1 ? 2 
ATOM   3275 C CD   . GLU   B 1 98  ? 2.616  0.379   4.982   1   41.927 ? 110 GLU   A CD   1 ? 2 
ATOM   3276 O OE1  . GLU   B 1 98  ? 3.457  0.815   4.129   1   33.936 ? 110 GLU   A OE1  1 ? 2 
ATOM   3277 O OE2  . GLU   B 1 98  ? 1.731  1.108   5.527   1   46.591 ? 110 GLU   A OE2  1 ? 2 
ATOM   3278 H H    . GLU   B 1 98  ? 5.058  0.511   5.459   1   30.733 ? 110 GLU   A H    1 c 2 
ATOM   3279 H HA   . GLU   B 1 98  ? 4.645  -1.313  7.39    1   32.939 ? 110 GLU   A HA   1 c 2 
ATOM   3280 H HB2  . GLU   B 1 98  ? 4.4    -1.771  4.579   1   34.781 ? 110 GLU   A HB2  1 c 2 
ATOM   3281 H HB3  . GLU   B 1 98  ? 3.859  -2.768  5.683   1   36.329 ? 110 GLU   A HB3  1 c 2 
ATOM   3282 H HG2  . GLU   B 1 98  ? 2.042  -1.602  5.005   1   41.17  ? 110 GLU   A HG2  1 c 2 
ATOM   3283 H HG3  . GLU   B 1 98  ? 2.377  -1.064  6.437   1   40.83  ? 110 GLU   A HG3  1 c 2 
ATOM   3284 N N    . TYR   B 1 99  ? 7.402  -1.74   5.772   1   27.63  ? 111 TYR   A N    1 ? 2 
ATOM   3285 C CA   . TYR   B 1 99  ? 8.634  -2.509  5.729   1   27.172 ? 111 TYR   A CA   1 ? 2 
ATOM   3286 C C    . TYR   B 1 99  ? 9.733  -1.856  6.591   1   26.393 ? 111 TYR   A C    1 ? 2 
ATOM   3287 O O    . TYR   B 1 99  ? 10.928 -2.185  6.456   1   27.127 ? 111 TYR   A O    1 ? 2 
ATOM   3288 C CB   . TYR   B 1 99  ? 9.117  -2.709  4.299   1   27.552 ? 111 TYR   A CB   1 ? 2 
ATOM   3289 C CG   . TYR   B 1 99  ? 8.142  -3.587  3.516   1   29.711 ? 111 TYR   A CG   1 ? 2 
ATOM   3290 C CD1  . TYR   B 1 99  ? 6.952  -3.069  2.992   1   31.284 ? 111 TYR   A CD1  1 ? 2 
ATOM   3291 C CD2  . TYR   B 1 99  ? 8.38   -4.94   3.332   1   28.991 ? 111 TYR   A CD2  1 ? 2 
ATOM   3292 C CE1  . TYR   B 1 99  ? 6.093  -3.841  2.233   1   30.239 ? 111 TYR   A CE1  1 ? 2 
ATOM   3293 C CE2  . TYR   B 1 99  ? 7.51   -5.731  2.622   1   30.6   ? 111 TYR   A CE2  1 ? 2 
ATOM   3294 C CZ   . TYR   B 1 99  ? 6.367  -5.185  2.068   1   32.057 ? 111 TYR   A CZ   1 ? 2 
ATOM   3295 O OH   . TYR   B 1 99  ? 5.501  -5.998  1.427   1   34.306 ? 111 TYR   A OH   1 ? 2 
ATOM   3296 H H    . TYR   B 1 99  ? 7.361  -0.968  5.284   1   27.344 ? 111 TYR   A H    1 c 2 
ATOM   3297 H HA   . TYR   B 1 99  ? 8.446  -3.407  6.11    1   28.048 ? 111 TYR   A HA   1 c 2 
ATOM   3298 H HB2  . TYR   B 1 99  ? 9.193  -1.833  3.86    1   27.055 ? 111 TYR   A HB2  1 c 2 
ATOM   3299 H HB3  . TYR   B 1 99  ? 10.001 -3.139  4.314   1   27.003 ? 111 TYR   A HB3  1 c 2 
ATOM   3300 H HD1  . TYR   B 1 99  ? 6.777  -2.146  3.081   1   30.217 ? 111 TYR   A HD1  1 c 2 
ATOM   3301 H HD2  . TYR   B 1 99  ? 9.166  -5.324  3.688   1   28.864 ? 111 TYR   A HD2  1 c 2 
ATOM   3302 H HE1  . TYR   B 1 99  ? 5.294  -3.474  1.894   1   31.961 ? 111 TYR   A HE1  1 c 2 
ATOM   3303 H HE2  . TYR   B 1 99  ? 7.694  -6.648  2.509   1   31.353 ? 111 TYR   A HE2  1 c 2 
ATOM   3304 H HH   . TYR   B 1 99  ? 5.681  -6.011  0.59    0   30     ? 111 TYR   A HH   1 c 2 
ATOM   3305 N N    . ALA   B 1 100 ? 9.34   -0.875  7.399   1   27.203 ? 112 ALA   A N    1 ? 2 
ATOM   3306 C CA   . ALA   B 1 100 ? 10.275 -0.111  8.233   1   27.07  ? 112 ALA   A CA   1 ? 2 
ATOM   3307 C C    . ALA   B 1 100 ? 9.768  -0.119  9.676   1   27.8   ? 112 ALA   A C    1 ? 2 
ATOM   3308 O O    . ALA   B 1 100 ? 9.828  -1.158  10.327  1   30.411 ? 112 ALA   A O    1 ? 2 
ATOM   3309 C CB   . ALA   B 1 100 ? 10.465 1.276   7.683   1   26.321 ? 112 ALA   A CB   1 ? 2 
ATOM   3310 H H    . ALA   B 1 100 ? 8.452  -0.669  7.449   1   27.819 ? 112 ALA   A H    1 c 2 
ATOM   3311 H HA   . ALA   B 1 100 ? 11.153 -0.579  8.22    1   26.417 ? 112 ALA   A HA   1 c 2 
ATOM   3312 H HB1  . ALA   B 1 100 ? 10.974 1.231   6.856   1   25.674 ? 112 ALA   A HB1  1 c 2 
ATOM   3313 H HB2  . ALA   B 1 100 ? 9.599  1.68    7.503   1   26.878 ? 112 ALA   A HB2  1 c 2 
ATOM   3314 H HB3  . ALA   B 1 100 ? 10.949 1.821   8.326   1   26.565 ? 112 ALA   A HB3  1 c 2 
ATOM   3315 N N    . TYR   B 1 101 ? 9.244  1.013   10.178  1   27.751 ? 113 TYR   A N    1 ? 2 
ATOM   3316 C CA   . TYR   B 1 101 ? 8.784  1.116   11.538  1   31.155 ? 113 TYR   A CA   1 ? 2 
ATOM   3317 C C    . TYR   B 1 101 ? 7.259  1.228   11.659  1   30.639 ? 113 TYR   A C    1 ? 2 
ATOM   3318 O O    . TYR   B 1 101 ? 6.713  1.326   12.758  1   33.671 ? 113 TYR   A O    1 ? 2 
ATOM   3319 C CB   . TYR   B 1 101 ? 9.503  2.25    12.286  1   31.174 ? 113 TYR   A CB   1 ? 2 
ATOM   3320 C CG   . TYR   B 1 101 ? 10.999 2.012   12.375  1   30.495 ? 113 TYR   A CG   1 ? 2 
ATOM   3321 C CD1  . TYR   B 1 101 ? 11.557 1.111   13.288  1   29.738 ? 113 TYR   A CD1  1 ? 2 
ATOM   3322 C CD2  . TYR   B 1 101 ? 11.84  2.508   11.374  1   29.09  ? 113 TYR   A CD2  1 ? 2 
ATOM   3323 C CE1  . TYR   B 1 101 ? 12.918 0.925   13.376  1   28.606 ? 113 TYR   A CE1  1 ? 2 
ATOM   3324 C CE2  . TYR   B 1 101 ? 13.197 2.274   11.414  1   26.694 ? 113 TYR   A CE2  1 ? 2 
ATOM   3325 C CZ   . TYR   B 1 101 ? 13.755 1.522   12.44   1   28.165 ? 113 TYR   A CZ   1 ? 2 
ATOM   3326 O OH   . TYR   B 1 101 ? 15.059 1.16    12.403  1   26.63  ? 113 TYR   A OH   1 ? 2 
ATOM   3327 H H    . TYR   B 1 101 ? 9.162  1.746   9.639   1   27.876 ? 113 TYR   A H    1 c 2 
ATOM   3328 H HA   . TYR   B 1 101 ? 9.041  0.274   11.993  1   30.902 ? 113 TYR   A HA   1 c 2 
ATOM   3329 H HB2  . TYR   B 1 101 ? 9.337  3.097   11.815  1   30.943 ? 113 TYR   A HB2  1 c 2 
ATOM   3330 H HB3  . TYR   B 1 101 ? 9.132  2.318   13.193  1   32.759 ? 113 TYR   A HB3  1 c 2 
ATOM   3331 H HD1  . TYR   B 1 101 ? 11.01  0.769   13.975  1   31.205 ? 113 TYR   A HD1  1 c 2 
ATOM   3332 H HD2  . TYR   B 1 101 ? 11.489 3.084   10.714  1   28.105 ? 113 TYR   A HD2  1 c 2 
ATOM   3333 H HE1  . TYR   B 1 101 ? 13.275 0.345   14.026  1   29.933 ? 113 TYR   A HE1  1 c 2 
ATOM   3334 H HE2  . TYR   B 1 101 ? 13.756 2.66    10.762  1   26.532 ? 113 TYR   A HE2  1 c 2 
ATOM   3335 H HH   . TYR   B 1 101 ? 15.16  0.498   11.862  0   30     ? 113 TYR   A HH   1 c 2 
ATOM   3336 N N    . GLY   B 1 102 ? 6.482  1.191   10.543  1   29.602 ? 114 GLY   A N    1 ? 2 
ATOM   3337 C CA   . GLY   B 1 102 ? 5.06   0.943   10.714  1   31.902 ? 114 GLY   A CA   1 ? 2 
ATOM   3338 C C    . GLY   B 1 102 ? 4.228  2.123   11.184  1   36.324 ? 114 GLY   A C    1 ? 2 
ATOM   3339 O O    . GLY   B 1 102 ? 4.689  3.26    11.317  1   34.947 ? 114 GLY   A O    1 ? 2 
ATOM   3340 H H    . GLY   B 1 102 ? 6.831  1.324   9.709   1   28.709 ? 114 GLY   A H    1 c 2 
ATOM   3341 H HA2  . GLY   B 1 102 ? 4.699  0.631   9.851   1   32.09  ? 114 GLY   A HA2  1 c 2 
ATOM   3342 H HA3  . GLY   B 1 102 ? 4.95   0.203   11.357  1   33.439 ? 114 GLY   A HA3  1 c 2 
ATOM   3343 N N    . SER   B 1 103 ? 3.023  1.785   11.662  1   42.398 ? 115 SER   A N    1 ? 2 
ATOM   3344 C CA   . SER   B 1 103 ? 2.126  2.8     12.176  1   44.221 ? 115 SER   A CA   1 ? 2 
ATOM   3345 C C    . SER   B 1 103 ? 2.605  3.229   13.534  1   44.174 ? 115 SER   A C    1 ? 2 
ATOM   3346 O O    . SER   B 1 103 ? 2.46   4.389   13.83   1   44.04  ? 115 SER   A O    1 ? 2 
ATOM   3347 C CB   . SER   B 1 103 ? 0.649  2.44    12.208  1   48.41  ? 115 SER   A CB   1 ? 2 
ATOM   3348 O OG   . SER   B 1 103 ? 0.42   1.237   12.878  1   52.124 ? 115 SER   A OG   1 ? 2 
ATOM   3349 H H    . SER   B 1 103 ? 2.758  0.91    11.664  1   41.85  ? 115 SER   A H    1 c 2 
ATOM   3350 H HA   . SER   B 1 103 ? 2.216  3.586   11.583  1   43.325 ? 115 SER   A HA   1 c 2 
ATOM   3351 H HB2  . SER   B 1 103 ? 0.153  3.155   12.65   1   49.872 ? 115 SER   A HB2  1 c 2 
ATOM   3352 H HB3  . SER   B 1 103 ? 0.317  2.366   11.293  1   47.948 ? 115 SER   A HB3  1 c 2 
ATOM   3353 H HG   . SER   B 1 103 ? -0.433 1.111   12.847  0   30     ? 115 SER   A HG   1 c 2 
ATOM   3354 N N    . ALA   B 1 104 ? 3.241  2.319   14.306  1   43.396 ? 116 ALA   A N    1 ? 2 
ATOM   3355 C CA   . ALA   B 1 104 ? 3.668  2.707   15.622  1   47.326 ? 116 ALA   A CA   1 ? 2 
ATOM   3356 C C    . ALA   B 1 104 ? 4.885  3.635   15.566  1   41.309 ? 116 ALA   A C    1 ? 2 
ATOM   3357 O O    . ALA   B 1 104 ? 5.073  4.457   16.477  1   38.71  ? 116 ALA   A O    1 ? 2 
ATOM   3358 C CB   . ALA   B 1 104 ? 3.925  1.447   16.436  1   49.149 ? 116 ALA   A CB   1 ? 2 
ATOM   3359 H H    . ALA   B 1 104 ? 3.396  1.469   14.008  1   43.608 ? 116 ALA   A H    1 c 2 
ATOM   3360 H HA   . ALA   B 1 104 ? 2.922  3.211   16.05   1   47.874 ? 116 ALA   A HA   1 c 2 
ATOM   3361 H HB1  . ALA   B 1 104 ? 3.108  0.925   16.498  1   50.373 ? 116 ALA   A HB1  1 c 2 
ATOM   3362 H HB2  . ALA   B 1 104 ? 4.615  0.915   16.005  1   47.378 ? 116 ALA   A HB2  1 c 2 
ATOM   3363 H HB3  . ALA   B 1 104 ? 4.22   1.69    17.33   1   50.306 ? 116 ALA   A HB3  1 c 2 
ATOM   3364 N N    . GLY   B 1 105 ? 5.707  3.458   14.547  1   39.517 ? 117 GLY   A N    1 ? 2 
ATOM   3365 C CA   . GLY   B 1 105 ? 6.97   4.172   14.462  1   39.7   ? 117 GLY   A CA   1 ? 2 
ATOM   3366 C C    . GLY   B 1 105 ? 7.97   3.68    15.499  1   39.518 ? 117 GLY   A C    1 ? 2 
ATOM   3367 O O    . GLY   B 1 105 ? 7.824  2.587   16.038  1   37.706 ? 117 GLY   A O    1 ? 2 
ATOM   3368 H H    . GLY   B 1 105 ? 5.487  2.872   13.881  1   38.82  ? 117 GLY   A H    1 c 2 
ATOM   3369 H HA2  . GLY   B 1 105 ? 7.348  4.05    13.56   1   37.448 ? 117 GLY   A HA2  1 c 2 
ATOM   3370 H HA3  . GLY   B 1 105 ? 6.805  5.136   14.593  1   39.742 ? 117 GLY   A HA3  1 c 2 
ATOM   3371 N N    . SER   B 1 106 ? 8.928  4.547   15.845  1   39.1   ? 118 SER   A N    1 ? 2 
ATOM   3372 C CA   . SER   B 1 106 ? 9.928  4.256   16.854  1   36.003 ? 118 SER   A CA   1 ? 2 
ATOM   3373 C C    . SER   B 1 106 ? 10.305 5.577   17.479  1   36.805 ? 118 SER   A C    1 ? 2 
ATOM   3374 O O    . SER   B 1 106 ? 11.426 6.023   17.302  1   38.585 ? 118 SER   A O    1 ? 2 
ATOM   3375 C CB   . SER   B 1 106 ? 11.149 3.615   16.311  1   34.846 ? 118 SER   A CB   1 ? 2 
ATOM   3376 O OG   . SER   B 1 106 ? 12.026 3.178   17.327  1   38.761 ? 118 SER   A OG   1 ? 2 
ATOM   3377 H H    . SER   B 1 106 ? 8.959  5.358   15.424  1   37.704 ? 118 SER   A H    1 c 2 
ATOM   3378 H HA   . SER   B 1 106 ? 9.531  3.671   17.549  1   38.197 ? 118 SER   A HA   1 c 2 
ATOM   3379 H HB2  . SER   B 1 106 ? 10.888 2.849   15.765  1   34.169 ? 118 SER   A HB2  1 c 2 
ATOM   3380 H HB3  . SER   B 1 106 ? 11.615 4.246   15.731  1   34.176 ? 118 SER   A HB3  1 c 2 
ATOM   3381 H HG   . SER   B 1 106 ? 12.703 2.826   16.964  0   30     ? 118 SER   A HG   1 c 2 
ATOM   3382 N N    . LEU   B 1 107 ? 9.374  6.125   18.208  1   38.32  ? 119 LEU   A N    1 ? 2 
ATOM   3383 C CA   . LEU   B 1 107 ? 9.46   7.48    18.739  1   40.949 ? 119 LEU   A CA   1 ? 2 
ATOM   3384 C C    . LEU   B 1 107 ? 10.464 7.53    19.867  1   44.895 ? 119 LEU   A C    1 ? 2 
ATOM   3385 O O    . LEU   B 1 107 ? 10.496 6.637   20.691  1   45.294 ? 119 LEU   A O    1 ? 2 
ATOM   3386 C CB   . LEU   B 1 107 ? 8.092  8.012   19.078  1   44.168 ? 119 LEU   A CB   1 ? 2 
ATOM   3387 C CG   . LEU   B 1 107 ? 7.322  8.478   17.833  1   48.756 ? 119 LEU   A CG   1 ? 2 
ATOM   3388 C CD1  . LEU   B 1 107 ? 5.863  8.656   18.062  1   55.834 ? 119 LEU   A CD1  1 ? 2 
ATOM   3389 C CD2  . LEU   B 1 107 ? 7.921  9.793   17.361  1   48.903 ? 119 LEU   A CD2  1 ? 2 
ATOM   3390 H H    . LEU   B 1 107 ? 8.627  5.634   18.399  1   39.354 ? 119 LEU   A H    1 c 2 
ATOM   3391 H HA   . LEU   B 1 107 ? 9.826  8.035   18.01   1   40.167 ? 119 LEU   A HA   1 c 2 
ATOM   3392 H HB2  . LEU   B 1 107 ? 7.578  7.298   19.521  1   45.994 ? 119 LEU   A HB2  1 c 2 
ATOM   3393 H HB3  . LEU   B 1 107 ? 8.192  8.771   19.697  1   47.058 ? 119 LEU   A HB3  1 c 2 
ATOM   3394 H HG   . LEU   B 1 107 ? 7.446  7.803   17.117  1   46.325 ? 119 LEU   A HG   1 c 2 
ATOM   3395 H HD11 . LEU   B 1 107 ? 5.478  7.82    18.373  1   54.583 ? 119 LEU   A HD11 1 c 2 
ATOM   3396 H HD12 . LEU   B 1 107 ? 5.433  8.92    17.231  1   53.05  ? 119 LEU   A HD12 1 c 2 
ATOM   3397 H HD13 . LEU   B 1 107 ? 5.721  9.346   18.732  1   56.219 ? 119 LEU   A HD13 1 c 2 
ATOM   3398 H HD21 . LEU   B 1 107 ? 8.817  9.64    17.018  1   47.244 ? 119 LEU   A HD21 1 c 2 
ATOM   3399 H HD22 . LEU   B 1 107 ? 7.96   10.418  18.103  1   50.726 ? 119 LEU   A HD22 1 c 2 
ATOM   3400 H HD23 . LEU   B 1 107 ? 7.367  10.166  16.655  1   48.139 ? 119 LEU   A HD23 1 c 2 
ATOM   3401 N N    . PRO   B 1 108 ? 11.176 8.658   20.044  1   46.397 ? 120 PRO   A N    1 ? 2 
ATOM   3402 C CA   . PRO   B 1 108 ? 10.977 9.877   19.257  1   45.849 ? 120 PRO   A CA   1 ? 2 
ATOM   3403 C C    . PRO   B 1 108 ? 11.779 9.92    17.954  1   41.738 ? 120 PRO   A C    1 ? 2 
ATOM   3404 O O    . PRO   B 1 108 ? 11.701 10.869  17.215  1   44.063 ? 120 PRO   A O    1 ? 2 
ATOM   3405 C CB   . PRO   B 1 108 ? 11.441 11      20.2    1   48.361 ? 120 PRO   A CB   1 ? 2 
ATOM   3406 C CG   . PRO   B 1 108 ? 12.026 10.319  21.351  1   50.369 ? 120 PRO   A CG   1 ? 2 
ATOM   3407 C CD   . PRO   B 1 108 ? 12.11  8.863   21.141  1   48.254 ? 120 PRO   A CD   1 ? 2 
ATOM   3408 H HA   . PRO   B 1 108 ? 10.017 9.993   19.065  1   45.555 ? 120 PRO   A HA   1 c 2 
ATOM   3409 H HB2  . PRO   B 1 108 ? 12.109 11.576  19.759  1   48.092 ? 120 PRO   A HB2  1 c 2 
ATOM   3410 H HB3  . PRO   B 1 108 ? 10.678 11.56   20.477  1   50.038 ? 120 PRO   A HB3  1 c 2 
ATOM   3411 H HG2  . PRO   B 1 108 ? 12.924 10.674  21.518  1   51.074 ? 120 PRO   A HG2  1 c 2 
ATOM   3412 H HG3  . PRO   B 1 108 ? 11.485 10.501  22.148  1   52.709 ? 120 PRO   A HG3  1 c 2 
ATOM   3413 H HD2  . PRO   B 1 108 ? 13.02  8.595   20.892  1   47.6   ? 120 PRO   A HD2  1 c 2 
ATOM   3414 H HD3  . PRO   B 1 108 ? 11.832 8.372   21.946  1   50.216 ? 120 PRO   A HD3  1 c 2 
ATOM   3415 N N    . LYS   B 1 109 ? 12.638 8.959   17.722  1   41.313 ? 121 LYS   A N    1 ? 2 
ATOM   3416 C CA   . LYS   B 1 109 ? 13.548 9.035   16.592  1   40.798 ? 121 LYS   A CA   1 ? 2 
ATOM   3417 C C    . LYS   B 1 109 ? 12.781 8.921   15.27   1   38.324 ? 121 LYS   A C    1 ? 2 
ATOM   3418 O O    . LYS   B 1 109 ? 13.12  9.614   14.321  1   37.438 ? 121 LYS   A O    1 ? 2 
ATOM   3419 C CB   . LYS   B 1 109 ? 14.625 7.952   16.624  1   40.833 ? 121 LYS   A CB   1 ? 2 
ATOM   3420 C CG   . LYS   B 1 109 ? 15.668 8.061   15.487  1   42.531 ? 121 LYS   A CG   1 ? 2 
ATOM   3421 C CD   . LYS   B 1 109 ? 16.712 6.964   15.533  1   48.235 ? 121 LYS   A CD   1 ? 2 
ATOM   3422 C CE   . LYS   B 1 109 ? 17.429 6.832   16.873  1   51.181 ? 121 LYS   A CE   1 ? 2 
ATOM   3423 N NZ   . LYS   B 1 109 ? 18.53  7.771   16.994  1   54.177 ? 121 LYS   A NZ   1 ? 2 
ATOM   3424 H H    . LYS   B 1 109 ? 12.673 8.229   18.271  1   41.869 ? 121 LYS   A H    1 c 2 
ATOM   3425 H HA   . LYS   B 1 109 ? 13.998 9.918   16.617  1   41.594 ? 121 LYS   A HA   1 c 2 
ATOM   3426 H HB2  . LYS   B 1 109 ? 15.091 8.004   17.485  1   43.221 ? 121 LYS   A HB2  1 c 2 
ATOM   3427 H HB3  . LYS   B 1 109 ? 14.194 7.072   16.569  1   40.496 ? 121 LYS   A HB3  1 c 2 
ATOM   3428 H HG2  . LYS   B 1 109 ? 15.202 8.022   14.624  1   41.372 ? 121 LYS   A HG2  1 c 2 
ATOM   3429 H HG3  . LYS   B 1 109 ? 16.115 8.933   15.551  1   44.059 ? 121 LYS   A HG3  1 c 2 
ATOM   3430 H HD2  . LYS   B 1 109 ? 16.277 6.109   15.322  1   45.568 ? 121 LYS   A HD2  1 c 2 
ATOM   3431 H HD3  . LYS   B 1 109 ? 17.379 7.136   14.833  1   45.963 ? 121 LYS   A HD3  1 c 2 
ATOM   3432 H HE2  . LYS   B 1 109 ? 16.811 6.972   17.611  1   52.554 ? 121 LYS   A HE2  1 c 2 
ATOM   3433 H HE3  . LYS   B 1 109 ? 17.781 5.928   16.954  1   50.858 ? 121 LYS   A HE3  1 c 2 
ATOM   3434 H HZ1  . LYS   B 1 109 ? 18.224 8.617   16.889  1   54.218 ? 121 LYS   A HZ1  1 c 2 
ATOM   3435 H HZ2  . LYS   B 1 109 ? 19.152 7.598   16.359  1   52.742 ? 121 LYS   A HZ2  1 c 2 
ATOM   3436 H HZ3  . LYS   B 1 109 ? 18.911 7.692   17.812  1   55.524 ? 121 LYS   A HZ3  1 c 2 
ATOM   3437 N N    . ILE   B 1 110 ? 11.832 7.975   15.162  1   34.764 ? 122 ILE   A N    1 ? 2 
ATOM   3438 C CA   . ILE   B 1 110 ? 11.184 7.762   13.871  1   33.047 ? 122 ILE   A CA   1 ? 2 
ATOM   3439 C C    . ILE   B 1 110 ? 9.697  7.96    14.08   1   36.928 ? 122 ILE   A C    1 ? 2 
ATOM   3440 O O    . ILE   B 1 110 ? 9.108  7.269   14.914  1   37.306 ? 122 ILE   A O    1 ? 2 
ATOM   3441 C CB   . ILE   B 1 110 ? 11.446 6.337   13.355  1   29.875 ? 122 ILE   A CB   1 ? 2 
ATOM   3442 C CG1  . ILE   B 1 110 ? 12.911 5.872   13.294  1   33.118 ? 122 ILE   A CG1  1 ? 2 
ATOM   3443 C CG2  . ILE   B 1 110 ? 10.713 6.1     12.036  1   31.313 ? 122 ILE   A CG2  1 ? 2 
ATOM   3444 C CD1  . ILE   B 1 110 ? 13.758 6.666   12.357  1   34.085 ? 122 ILE   A CD1  1 ? 2 
ATOM   3445 H H    . ILE   B 1 110 ? 11.592 7.465   15.881  1   36.303 ? 122 ILE   A H    1 c 2 
ATOM   3446 H HA   . ILE   B 1 110 ? 11.517 8.408   13.223  1   32.869 ? 122 ILE   A HA   1 c 2 
ATOM   3447 H HB   . ILE   B 1 110 ? 11.017 5.743   14.004  1   32.119 ? 122 ILE   A HB   1 c 2 
ATOM   3448 H HG12 . ILE   B 1 110 ? 13.297 5.929   14.192  1   33.777 ? 122 ILE   A HG12 1 c 2 
ATOM   3449 H HG13 . ILE   B 1 110 ? 12.932 4.933   13.019  1   31.58  ? 122 ILE   A HG13 1 c 2 
ATOM   3450 H HG21 . ILE   B 1 110 ? 11.115 5.349   11.569  1   29.254 ? 122 ILE   A HG21 1 c 2 
ATOM   3451 H HG22 . ILE   B 1 110 ? 10.776 6.895   11.48   1   30.225 ? 122 ILE   A HG22 1 c 2 
ATOM   3452 H HG23 . ILE   B 1 110 ? 9.777  5.904   12.212  1   30.922 ? 122 ILE   A HG23 1 c 2 
ATOM   3453 H HD11 . ILE   B 1 110 ? 13.403 6.597   11.45   1   32.432 ? 122 ILE   A HD11 1 c 2 
ATOM   3454 H HD12 . ILE   B 1 110 ? 14.67  6.319   12.374  1   33.29  ? 122 ILE   A HD12 1 c 2 
ATOM   3455 H HD13 . ILE   B 1 110 ? 13.764 7.603   12.632  1   34.608 ? 122 ILE   A HD13 1 c 2 
ATOM   3456 N N    . PRO   B 1 111 ? 9.011  8.848   13.342  1   37.222 ? 123 PRO   A N    1 ? 2 
ATOM   3457 C CA   . PRO   B 1 111 ? 7.574  9.067   13.515  1   38.456 ? 123 PRO   A CA   1 ? 2 
ATOM   3458 C C    . PRO   B 1 111 ? 6.749  7.911   12.95   1   36.095 ? 123 PRO   A C    1 ? 2 
ATOM   3459 O O    . PRO   B 1 111 ? 7.271  7.032   12.272  1   33.097 ? 123 PRO   A O    1 ? 2 
ATOM   3460 C CB   . PRO   B 1 111 ? 7.304  10.392  12.746  1   43.179 ? 123 PRO   A CB   1 ? 2 
ATOM   3461 C CG   . PRO   B 1 111 ? 8.408  10.447  11.764  1   42.396 ? 123 PRO   A CG   1 ? 2 
ATOM   3462 C CD   . PRO   B 1 111 ? 9.606  9.761   12.351  1   40.549 ? 123 PRO   A CD   1 ? 2 
ATOM   3463 H HA   . PRO   B 1 111 ? 7.374  9.191   14.477  1   40.569 ? 123 PRO   A HA   1 c 2 
ATOM   3464 H HB2  . PRO   B 1 111 ? 6.429  10.367  12.293  1   42.466 ? 123 PRO   A HB2  1 c 2 
ATOM   3465 H HB3  . PRO   B 1 111 ? 7.333  11.167  13.355  1   44.001 ? 123 PRO   A HB3  1 c 2 
ATOM   3466 H HG2  . PRO   B 1 111 ? 8.141  10.003  10.933  1   40.79  ? 123 PRO   A HG2  1 c 2 
ATOM   3467 H HG3  . PRO   B 1 111 ? 8.625  11.38   11.555  1   42.615 ? 123 PRO   A HG3  1 c 2 
ATOM   3468 H HD2  . PRO   B 1 111 ? 10.1   9.265   11.661  1   38.196 ? 123 PRO   A HD2  1 c 2 
ATOM   3469 H HD3  . PRO   B 1 111 ? 10.209 10.407  12.78   1   40.746 ? 123 PRO   A HD3  1 c 2 
ATOM   3470 N N    . SER   B 1 112 ? 5.47   7.922   13.3    1   36.329 ? 124 SER   A N    1 ? 2 
ATOM   3471 C CA   . SER   B 1 112 ? 4.516  7.007   12.713  1   35.975 ? 124 SER   A CA   1 ? 2 
ATOM   3472 C C    . SER   B 1 112 ? 4.476  7.26    11.199  1   34.245 ? 124 SER   A C    1 ? 2 
ATOM   3473 O O    . SER   B 1 112 ? 4.554  8.394   10.751  1   36.623 ? 124 SER   A O    1 ? 2 
ATOM   3474 C CB   . SER   B 1 112 ? 3.169  7.092   13.287  1   40.418 ? 124 SER   A CB   1 ? 2 
ATOM   3475 O OG   . SER   B 1 112 ? 2.587  8.371   13.104  1   45.002 ? 124 SER   A OG   1 ? 2 
ATOM   3476 H H    . SER   B 1 112 ? 5.18   8.521   13.927  1   38.302 ? 124 SER   A H    1 c 2 
ATOM   3477 H HA   . SER   B 1 112 ? 4.853  6.087   12.862  1   35.65  ? 124 SER   A HA   1 c 2 
ATOM   3478 H HB2  . SER   B 1 112 ? 2.601  6.423   12.864  1   40.525 ? 124 SER   A HB2  1 c 2 
ATOM   3479 H HB3  . SER   B 1 112 ? 3.214  6.892   14.242  1   41.867 ? 124 SER   A HB3  1 c 2 
ATOM   3480 H HG   . SER   B 1 112 ? 1.837  8.352   13.48   0   30     ? 124 SER   A HG   1 c 2 
ATOM   3481 N N    . ASN   B 1 113 ? 4.336  6.164   10.51   1   32.049 ? 125 ASN   A N    1 ? 2 
ATOM   3482 C CA   . ASN   B 1 113 ? 4.043  6.117   9.084   1   31.5   ? 125 ASN   A CA   1 ? 2 
ATOM   3483 C C    . ASN   B 1 113 ? 5.175  6.777   8.268   1   29.937 ? 125 ASN   A C    1 ? 2 
ATOM   3484 O O    . ASN   B 1 113 ? 4.884  7.402   7.2     1   30.494 ? 125 ASN   A O    1 ? 2 
ATOM   3485 C CB   . ASN   B 1 113 ? 2.655  6.643   8.827   1   34.911 ? 125 ASN   A CB   1 ? 2 
ATOM   3486 C CG   . ASN   B 1 113 ? 1.608  5.769   9.509   1   34.201 ? 125 ASN   A CG   1 ? 2 
ATOM   3487 O OD1  . ASN   B 1 113 ? 0.668  6.289   10.09   1   38.037 ? 125 ASN   A OD1  1 ? 2 
ATOM   3488 N ND2  . ASN   B 1 113 ? 1.646  4.491   9.219   1   35.246 ? 125 ASN   A ND2  1 ? 2 
ATOM   3489 H H    . ASN   B 1 113 ? 4.429  5.368   10.948  1   32.386 ? 125 ASN   A H    1 c 2 
ATOM   3490 H HA   . ASN   B 1 113 ? 4.035  5.169   8.828   1   31.184 ? 125 ASN   A HA   1 c 2 
ATOM   3491 H HB2  . ASN   B 1 113 ? 2.583  7.558   9.163   1   34.846 ? 125 ASN   A HB2  1 c 2 
ATOM   3492 H HB3  . ASN   B 1 113 ? 2.486  6.656   7.864   1   33.629 ? 125 ASN   A HB3  1 c 2 
ATOM   3493 H HD21 . ASN   B 1 113 ? 1.186  3.915   9.71    1   35.899 ? 125 ASN   A HD21 1 c 2 
ATOM   3494 H HD22 . ASN   B 1 113 ? 2.11   4.201   8.52    1   33.468 ? 125 ASN   A HD22 1 c 2 
ATOM   3495 N N    . ALA   B 1 114 ? 6.43   6.523   8.718   1   29.246 ? 126 ALA   A N    1 ? 2 
ATOM   3496 C CA   . ALA   B 1 114 ? 7.6    7.132   8.099   1   31.082 ? 126 ALA   A CA   1 ? 2 
ATOM   3497 C C    . ALA   B 1 114 ? 8.058  6.355   6.862   1   25.55  ? 126 ALA   A C    1 ? 2 
ATOM   3498 O O    . ALA   B 1 114 ? 8.197  5.155   6.927   1   26.898 ? 126 ALA   A O    1 ? 2 
ATOM   3499 C CB   . ALA   B 1 114 ? 8.716  7.265   9.081   1   30.456 ? 126 ALA   A CB   1 ? 2 
ATOM   3500 H H    . ALA   B 1 114 ? 6.551  5.95    9.42    1   29.829 ? 126 ALA   A H    1 c 2 
ATOM   3501 H HA   . ALA   B 1 114 ? 7.339  8.046   7.8     1   30.273 ? 126 ALA   A HA   1 c 2 
ATOM   3502 H HB1  . ALA   B 1 114 ? 8.43   7.817   9.828   1   31.812 ? 126 ALA   A HB1  1 c 2 
ATOM   3503 H HB2  . ALA   B 1 114 ? 8.969  6.386   9.41    1   30.123 ? 126 ALA   A HB2  1 c 2 
ATOM   3504 H HB3  . ALA   B 1 114 ? 9.483  7.68    8.651   1   30.176 ? 126 ALA   A HB3  1 c 2 
ATOM   3505 N N    . THR   B 1 115 ? 8.345  7.076   5.765   1   26.905 ? 127 THR   A N    1 ? 2 
ATOM   3506 C CA   . THR   B 1 115 ? 9.052  6.532   4.628   1   24.713 ? 127 THR   A CA   1 ? 2 
ATOM   3507 C C    . THR   B 1 115 ? 10.529 6.846   4.789   1   23.141 ? 127 THR   A C    1 ? 2 
ATOM   3508 O O    . THR   B 1 115 ? 10.898 7.95    5.192   1   27.416 ? 127 THR   A O    1 ? 2 
ATOM   3509 C CB   . THR   B 1 115 ? 8.475  7.165   3.377   1   26.084 ? 127 THR   A CB   1 ? 2 
ATOM   3510 O OG1  . THR   B 1 115 ? 7.137  6.714   3.196   1   27.444 ? 127 THR   A OG1  1 ? 2 
ATOM   3511 C CG2  . THR   B 1 115 ? 9.212  6.735   2.129   1   28.464 ? 127 THR   A CG2  1 ? 2 
ATOM   3512 H H    . THR   B 1 115 ? 8.083  7.952   5.734   1   27.173 ? 127 THR   A H    1 c 2 
ATOM   3513 H HA   . THR   B 1 115 ? 8.916  5.562   4.596   1   24.339 ? 127 THR   A HA   1 c 2 
ATOM   3514 H HB   . THR   B 1 115 ? 8.487  8.149   3.452   1   27.396 ? 127 THR   A HB   1 c 2 
ATOM   3515 H HG1  . THR   B 1 115 ? 7.128  5.844   3.121   0   30     ? 127 THR   A HG1  1 c 2 
ATOM   3516 H HG21 . THR   B 1 115 ? 8.739  7.062   1.345   1   28.391 ? 127 THR   A HG21 1 c 2 
ATOM   3517 H HG22 . THR   B 1 115 ? 9.258  5.766   2.096   1   26.892 ? 127 THR   A HG22 1 c 2 
ATOM   3518 H HG23 . THR   B 1 115 ? 10.112 7.102   2.138   1   27.403 ? 127 THR   A HG23 1 c 2 
ATOM   3519 N N    . LEU   B 1 116 ? 11.349 5.823   4.597   1   23.759 ? 128 LEU   A N    1 ? 2 
ATOM   3520 C CA   . LEU   B 1 116 ? 12.804 5.911   4.756   1   24.935 ? 128 LEU   A CA   1 ? 2 
ATOM   3521 C C    . LEU   B 1 116 ? 13.519 5.759   3.41    1   24.751 ? 128 LEU   A C    1 ? 2 
ATOM   3522 O O    . LEU   B 1 116 ? 13.071 5.014   2.524   1   23.048 ? 128 LEU   A O    1 ? 2 
ATOM   3523 C CB   . LEU   B 1 116 ? 13.313 4.821   5.683   1   24.743 ? 128 LEU   A CB   1 ? 2 
ATOM   3524 C CG   . LEU   B 1 116 ? 13.19  5.12    7.181   1   30.332 ? 128 LEU   A CG   1 ? 2 
ATOM   3525 C CD1  . LEU   B 1 116 ? 11.857 5.501   7.585   1   36.903 ? 128 LEU   A CD1  1 ? 2 
ATOM   3526 C CD2  . LEU   B 1 116 ? 13.732 3.974   7.987   1   29.312 ? 128 LEU   A CD2  1 ? 2 
ATOM   3527 H H    . LEU   B 1 116 ? 10.992 5.019   4.35    1   23.302 ? 128 LEU   A H    1 c 2 
ATOM   3528 H HA   . LEU   B 1 116 ? 13.029 6.796   5.14    1   25.377 ? 128 LEU   A HA   1 c 2 
ATOM   3529 H HB2  . LEU   B 1 116 ? 12.815 3.994   5.488   1   25.23  ? 128 LEU   A HB2  1 c 2 
ATOM   3530 H HB3  . LEU   B 1 116 ? 14.262 4.657   5.476   1   25.402 ? 128 LEU   A HB3  1 c 2 
ATOM   3531 H HG   . LEU   B 1 116 ? 13.775 5.899   7.371   1   30.706 ? 128 LEU   A HG   1 c 2 
ATOM   3532 H HD11 . LEU   B 1 116 ? 11.696 6.428   7.342   1   35.293 ? 128 LEU   A HD11 1 c 2 
ATOM   3533 H HD12 . LEU   B 1 116 ? 11.767 5.402   8.548   1   35.362 ? 128 LEU   A HD12 1 c 2 
ATOM   3534 H HD13 . LEU   B 1 116 ? 11.206 4.933   7.14    1   34.444 ? 128 LEU   A HD13 1 c 2 
ATOM   3535 H HD21 . LEU   B 1 116 ? 14.636 3.77    7.695   1   29.235 ? 128 LEU   A HD21 1 c 2 
ATOM   3536 H HD22 . LEU   B 1 116 ? 13.168 3.192   7.86    1   29.244 ? 128 LEU   A HD22 1 c 2 
ATOM   3537 H HD23 . LEU   B 1 116 ? 13.743 4.215   8.929   1   30.311 ? 128 LEU   A HD23 1 c 2 
ATOM   3538 N N    . PHE   B 1 117 ? 14.708 6.413   3.315   1   23.478 ? 129 PHE   A N    1 ? 2 
ATOM   3539 C CA   . PHE   B 1 117 ? 15.595 6.266   2.206   1   25.219 ? 129 PHE   A CA   1 ? 2 
ATOM   3540 C C    . PHE   B 1 117 ? 16.974 5.792   2.69    1   27.506 ? 129 PHE   A C    1 ? 2 
ATOM   3541 O O    . PHE   B 1 117 ? 17.519 6.343   3.677   1   28.53  ? 129 PHE   A O    1 ? 2 
ATOM   3542 C CB   . PHE   B 1 117 ? 15.655 7.62    1.491   1   25.051 ? 129 PHE   A CB   1 ? 2 
ATOM   3543 C CG   . PHE   B 1 117 ? 16.674 7.557   0.359   1   27.296 ? 129 PHE   A CG   1 ? 2 
ATOM   3544 C CD1  . PHE   B 1 117 ? 16.311 7.148   -0.93   1   30.329 ? 129 PHE   A CD1  1 ? 2 
ATOM   3545 C CD2  . PHE   B 1 117 ? 18.012 7.947   0.554   1   29.482 ? 129 PHE   A CD2  1 ? 2 
ATOM   3546 C CE1  . PHE   B 1 117 ? 17.246 7.128   -1.952  1   29.111 ? 129 PHE   A CE1  1 ? 2 
ATOM   3547 C CE2  . PHE   B 1 117 ? 18.936 7.861   -0.478  1   31.084 ? 129 PHE   A CE2  1 ? 2 
ATOM   3548 C CZ   . PHE   B 1 117 ? 18.548 7.446   -1.728  1   30.123 ? 129 PHE   A CZ   1 ? 2 
ATOM   3549 H H    . PHE   B 1 117 ? 14.954 6.975   3.992   1   24.695 ? 129 PHE   A H    1 c 2 
ATOM   3550 H HA   . PHE   B 1 117 ? 15.221 5.592   1.583   1   24.633 ? 129 PHE   A HA   1 c 2 
ATOM   3551 H HB2  . PHE   B 1 117 ? 14.768 7.833   1.125   1   25.98  ? 129 PHE   A HB2  1 c 2 
ATOM   3552 H HB3  . PHE   B 1 117 ? 15.919 8.315   2.134   1   26.308 ? 129 PHE   A HB3  1 c 2 
ATOM   3553 H HD1  . PHE   B 1 117 ? 15.417 6.905   -1.108  1   28.786 ? 129 PHE   A HD1  1 c 2 
ATOM   3554 H HD2  . PHE   B 1 117 ? 18.297 8.208   1.415   1   29.304 ? 129 PHE   A HD2  1 c 2 
ATOM   3555 H HE1  . PHE   B 1 117 ? 16.985 6.829   -2.809  1   30.144 ? 129 PHE   A HE1  1 c 2 
ATOM   3556 H HE2  . PHE   B 1 117 ? 19.831 8.113   -0.326  1   31.426 ? 129 PHE   A HE2  1 c 2 
ATOM   3557 H HZ   . PHE   B 1 117 ? 19.171 7.424   -2.436  1   31.323 ? 129 PHE   A HZ   1 c 2 
ATOM   3558 N N    . PHE   B 1 118 ? 17.59  4.866   1.947   1   25.979 ? 130 PHE   A N    1 ? 2 
ATOM   3559 C CA   . PHE   B 1 118 ? 18.972 4.514   2.25    1   26.575 ? 130 PHE   A CA   1 ? 2 
ATOM   3560 C C    . PHE   B 1 118 ? 19.83  4.413   1.026   1   27.036 ? 130 PHE   A C    1 ? 2 
ATOM   3561 O O    . PHE   B 1 118 ? 19.336 4.055   -0.039  1   26.529 ? 130 PHE   A O    1 ? 2 
ATOM   3562 C CB   . PHE   B 1 118 ? 19.109 3.158   2.938   1   26.06  ? 130 PHE   A CB   1 ? 2 
ATOM   3563 C CG   . PHE   B 1 118 ? 18.482 3.125   4.31    1   22.983 ? 130 PHE   A CG   1 ? 2 
ATOM   3564 C CD1  . PHE   B 1 118 ? 17.142 2.82    4.483   1   23.486 ? 130 PHE   A CD1  1 ? 2 
ATOM   3565 C CD2  . PHE   B 1 118 ? 19.268 3.257   5.453   1   28.694 ? 130 PHE   A CD2  1 ? 2 
ATOM   3566 C CE1  . PHE   B 1 118 ? 16.56  2.746   5.755   1   25.094 ? 130 PHE   A CE1  1 ? 2 
ATOM   3567 C CE2  . PHE   B 1 118 ? 18.685 3.166   6.72    1   25.769 ? 130 PHE   A CE2  1 ? 2 
ATOM   3568 C CZ   . PHE   B 1 118 ? 17.365 2.919   6.881   1   25.062 ? 130 PHE   A CZ   1 ? 2 
ATOM   3569 H H    . PHE   B 1 118 ? 17.157 4.454   1.255   1   26.123 ? 130 PHE   A H    1 c 2 
ATOM   3570 H HA   . PHE   B 1 118 ? 19.351 5.209   2.846   1   27.137 ? 130 PHE   A HA   1 c 2 
ATOM   3571 H HB2  . PHE   B 1 118 ? 18.684 2.474   2.374   1   24.875 ? 130 PHE   A HB2  1 c 2 
ATOM   3572 H HB3  . PHE   B 1 118 ? 20.065 2.939   3.018   1   25.748 ? 130 PHE   A HB3  1 c 2 
ATOM   3573 H HD1  . PHE   B 1 118 ? 16.596 2.71    3.721   1   23.399 ? 130 PHE   A HD1  1 c 2 
ATOM   3574 H HD2  . PHE   B 1 118 ? 20.191 3.435   5.369   1   27.299 ? 130 PHE   A HD2  1 c 2 
ATOM   3575 H HE1  . PHE   B 1 118 ? 15.637 2.569   5.849   1   24.379 ? 130 PHE   A HE1  1 c 2 
ATOM   3576 H HE2  . PHE   B 1 118 ? 19.226 3.292   7.484   1   27.06  ? 130 PHE   A HE2  1 c 2 
ATOM   3577 H HZ   . PHE   B 1 118 ? 16.992 2.867   7.746   1   25.556 ? 130 PHE   A HZ   1 c 2 
ATOM   3578 N N    . GLU   B 1 119 ? 21.092 4.83    1.2     1   27.951 ? 131 GLU   A N    1 ? 2 
ATOM   3579 C CA   . GLU   B 1 119 ? 22.124 4.391   0.283   1   28.21  ? 131 GLU   A CA   1 ? 2 
ATOM   3580 C C    . GLU   B 1 119 ? 22.963 3.34    1.008   1   30.958 ? 131 GLU   A C    1 ? 2 
ATOM   3581 O O    . GLU   B 1 119 ? 23.49  3.629   2.086   1   29.469 ? 131 GLU   A O    1 ? 2 
ATOM   3582 C CB   . GLU   B 1 119 ? 22.918 5.62    -0.161  1   28.72  ? 131 GLU   A CB   1 ? 2 
ATOM   3583 C CG   . GLU   B 1 119 ? 24.09  5.333   -1.108  1   32.252 ? 131 GLU   A CG   1 ? 2 
ATOM   3584 C CD   . GLU   B 1 119 ? 24.768 6.605   -1.542  1   34.413 ? 131 GLU   A CD   1 ? 2 
ATOM   3585 O OE1  . GLU   B 1 119 ? 24.303 7.35    -2.49   1   37.252 ? 131 GLU   A OE1  1 ? 2 
ATOM   3586 O OE2  . GLU   B 1 119 ? 25.834 6.987   -0.963  1   39.917 ? 131 GLU   A OE2  1 ? 2 
ATOM   3587 H H    . GLU   B 1 119 ? 21.309 5.391   1.888   1   28.248 ? 131 GLU   A H    1 c 2 
ATOM   3588 H HA   . GLU   B 1 119 ? 21.696 3.977   -0.506  1   28.361 ? 131 GLU   A HA   1 c 2 
ATOM   3589 H HB2  . GLU   B 1 119 ? 22.306 6.242   -0.607  1   29.784 ? 131 GLU   A HB2  1 c 2 
ATOM   3590 H HB3  . GLU   B 1 119 ? 23.268 6.07    0.636   1   29.844 ? 131 GLU   A HB3  1 c 2 
ATOM   3591 H HG2  . GLU   B 1 119 ? 24.747 4.762   -0.655  1   31.665 ? 131 GLU   A HG2  1 c 2 
ATOM   3592 H HG3  . GLU   B 1 119 ? 23.763 4.859   -1.902  1   31.552 ? 131 GLU   A HG3  1 c 2 
ATOM   3593 N N    . ILE   B 1 120 ? 23.231 2.211   0.341   1   29.567 ? 132 ILE   A N    1 ? 2 
ATOM   3594 C CA   . ILE   B 1 120 ? 23.877 1.06    0.977   1   27.034 ? 132 ILE   A CA   1 ? 2 
ATOM   3595 C C    . ILE   B 1 120 ? 24.99  0.591   0.062   1   31.415 ? 132 ILE   A C    1 ? 2 
ATOM   3596 O O    . ILE   B 1 120 ? 24.73  0.301   -1.096  1   31.182 ? 132 ILE   A O    1 ? 2 
ATOM   3597 C CB   . ILE   B 1 120 ? 22.941 -0.096  1.308   1   28.914 ? 132 ILE   A CB   1 ? 2 
ATOM   3598 C CG1  . ILE   B 1 120 ? 21.721 0.333   2.148   1   26.083 ? 132 ILE   A CG1  1 ? 2 
ATOM   3599 C CG2  . ILE   B 1 120 ? 23.722 -1.277  1.921   1   27.908 ? 132 ILE   A CG2  1 ? 2 
ATOM   3600 C CD1  . ILE   B 1 120 ? 20.599 -0.68   2.216   1   25.337 ? 132 ILE   A CD1  1 ? 2 
ATOM   3601 H H    . ILE   B 1 120 ? 23.005 2.151   -0.543  1   29.559 ? 132 ILE   A H    1 c 2 
ATOM   3602 H HA   . ILE   B 1 120 ? 24.279 1.365   1.813   1   28.841 ? 132 ILE   A HA   1 c 2 
ATOM   3603 H HB   . ILE   B 1 120 ? 22.586 -0.413  0.454   1   27.664 ? 132 ILE   A HB   1 c 2 
ATOM   3604 H HG12 . ILE   B 1 120 ? 22.023 0.523   3.059   1   26.636 ? 132 ILE   A HG12 1 c 2 
ATOM   3605 H HG13 . ILE   B 1 120 ? 21.363 1.164   1.776   1   26.598 ? 132 ILE   A HG13 1 c 2 
ATOM   3606 H HG21 . ILE   B 1 120 ? 23.103 -1.891  2.35    1   27.571 ? 132 ILE   A HG21 1 c 2 
ATOM   3607 H HG22 . ILE   B 1 120 ? 24.352 -0.943  2.582   1   28.832 ? 132 ILE   A HG22 1 c 2 
ATOM   3608 H HG23 . ILE   B 1 120 ? 24.207 -1.747  1.222   1   28.935 ? 132 ILE   A HG23 1 c 2 
ATOM   3609 H HD11 . ILE   B 1 120 ? 20.352 -0.955  1.312   1   25.359 ? 132 ILE   A HD11 1 c 2 
ATOM   3610 H HD12 . ILE   B 1 120 ? 19.825 -0.279  2.654   1   24.802 ? 132 ILE   A HD12 1 c 2 
ATOM   3611 H HD13 . ILE   B 1 120 ? 20.889 -1.461  2.723   1   25.312 ? 132 ILE   A HD13 1 c 2 
ATOM   3612 N N    . GLU   B 1 121 ? 26.163 0.419   0.632   1   29.734 ? 133 GLU   A N    1 ? 2 
ATOM   3613 C CA   . GLU   B 1 121 ? 27.254 -0.251  -0.035  1   33.929 ? 133 GLU   A CA   1 ? 2 
ATOM   3614 C C    . GLU   B 1 121 ? 27.496 -1.605  0.635   1   33.298 ? 133 GLU   A C    1 ? 2 
ATOM   3615 O O    . GLU   B 1 121 ? 27.763 -1.645  1.824   1   35.115 ? 133 GLU   A O    1 ? 2 
ATOM   3616 C CB   . GLU   B 1 121 ? 28.516 0.591   0.058   1   38.518 ? 133 GLU   A CB   1 ? 2 
ATOM   3617 C CG   . GLU   B 1 121 ? 29.698 -0.027  -0.678  1   37.529 ? 133 GLU   A CG   1 ? 2 
ATOM   3618 C CD   . GLU   B 1 121 ? 30.977 0.768   -0.507  1   45.994 ? 133 GLU   A CD   1 ? 2 
ATOM   3619 O OE1  . GLU   B 1 121 ? 31.046 1.811   0.216   1   46.599 ? 133 GLU   A OE1  1 ? 2 
ATOM   3620 O OE2  . GLU   B 1 121 ? 31.904 0.34    -1.221  1   46.348 ? 133 GLU   A OE2  1 ? 2 
ATOM   3621 H H    . GLU   B 1 121 ? 26.299 0.735   1.479   1   30.898 ? 133 GLU   A H    1 c 2 
ATOM   3622 H HA   . GLU   B 1 121 ? 27.016 -0.389  -0.985  1   33.923 ? 133 GLU   A HA   1 c 2 
ATOM   3623 H HB2  . GLU   B 1 121 ? 28.334 1.478   -0.316  1   37.627 ? 133 GLU   A HB2  1 c 2 
ATOM   3624 H HB3  . GLU   B 1 121 ? 28.75  0.707   1.003   1   37.219 ? 133 GLU   A HB3  1 c 2 
ATOM   3625 H HG2  . GLU   B 1 121 ? 29.849 -0.937  -0.345  1   39.124 ? 133 GLU   A HG2  1 c 2 
ATOM   3626 H HG3  . GLU   B 1 121 ? 29.49  -0.087  -1.634  1   39.746 ? 133 GLU   A HG3  1 c 2 
ATOM   3627 N N    . LEU   B 1 122 ? 27.418 -2.69   -0.14   1   32.491 ? 134 LEU   A N    1 ? 2 
ATOM   3628 C CA   . LEU   B 1 122 ? 27.666 -4.011  0.418   1   32.597 ? 134 LEU   A CA   1 ? 2 
ATOM   3629 C C    . LEU   B 1 122 ? 29.156 -4.293  0.321   1   36.697 ? 134 LEU   A C    1 ? 2 
ATOM   3630 O O    . LEU   B 1 122 ? 29.714 -4.497  -0.767  1   39.51  ? 134 LEU   A O    1 ? 2 
ATOM   3631 C CB   . LEU   B 1 122 ? 26.84  -5.105  -0.273  1   33.039 ? 134 LEU   A CB   1 ? 2 
ATOM   3632 C CG   . LEU   B 1 122 ? 27.092 -6.526  0.229   1   32.421 ? 134 LEU   A CG   1 ? 2 
ATOM   3633 C CD1  . LEU   B 1 122 ? 26.803 -6.663  1.692   1   29.273 ? 134 LEU   A CD1  1 ? 2 
ATOM   3634 C CD2  . LEU   B 1 122 ? 26.206 -7.478  -0.525  1   36.706 ? 134 LEU   A CD2  1 ? 2 
ATOM   3635 H H    . LEU   B 1 122 ? 27.209 -2.61   -1.026  1   32.995 ? 134 LEU   A H    1 c 2 
ATOM   3636 H HA   . LEU   B 1 122 ? 27.416 -3.988  1.375   1   32.391 ? 134 LEU   A HA   1 c 2 
ATOM   3637 H HB2  . LEU   B 1 122 ? 25.885 -4.895  -0.15   1   31.287 ? 134 LEU   A HB2  1 c 2 
ATOM   3638 H HB3  . LEU   B 1 122 ? 27.035 -5.076  -1.238  1   33.395 ? 134 LEU   A HB3  1 c 2 
ATOM   3639 H HG   . LEU   B 1 122 ? 28.039 -6.765  0.06    1   34.322 ? 134 LEU   A HG   1 c 2 
ATOM   3640 H HD11 . LEU   B 1 122 ? 27.484 -6.195  2.204   1   30.538 ? 134 LEU   A HD11 1 c 2 
ATOM   3641 H HD12 . LEU   B 1 122 ? 26.806 -7.604  1.936   1   30.501 ? 134 LEU   A HD12 1 c 2 
ATOM   3642 H HD13 . LEU   B 1 122 ? 25.931 -6.281  1.889   1   28.743 ? 134 LEU   A HD13 1 c 2 
ATOM   3643 H HD21 . LEU   B 1 122 ? 26.319 -7.342  -1.479  1   35.871 ? 134 LEU   A HD21 1 c 2 
ATOM   3644 H HD22 . LEU   B 1 122 ? 25.278 -7.318  -0.284  1   34.001 ? 134 LEU   A HD22 1 c 2 
ATOM   3645 H HD23 . LEU   B 1 122 ? 26.445 -8.393  -0.299  1   35.911 ? 134 LEU   A HD23 1 c 2 
ATOM   3646 N N    . LEU   B 1 123 ? 29.812 -4.384  1.482   1   36.951 ? 135 LEU   A N    1 ? 2 
ATOM   3647 C CA   . LEU   B 1 123 ? 31.262 -4.484  1.486   1   41.021 ? 135 LEU   A CA   1 ? 2 
ATOM   3648 C C    . LEU   B 1 123 ? 31.697 -5.95   1.409   1   42.541 ? 135 LEU   A C    1 ? 2 
ATOM   3649 O O    . LEU   B 1 123 ? 32.639 -6.304  0.721   1   44.85  ? 135 LEU   A O    1 ? 2 
ATOM   3650 C CB   . LEU   B 1 123 ? 31.743 -3.844  2.777   1   40.921 ? 135 LEU   A CB   1 ? 2 
ATOM   3651 C CG   . LEU   B 1 123 ? 31.465 -2.351  2.947   1   45.271 ? 135 LEU   A CG   1 ? 2 
ATOM   3652 C CD1  . LEU   B 1 123 ? 31.877 -1.856  4.313   1   46.29  ? 135 LEU   A CD1  1 ? 2 
ATOM   3653 C CD2  . LEU   B 1 123 ? 32.157 -1.548  1.877   1   46.877 ? 135 LEU   A CD2  1 ? 2 
ATOM   3654 H H    . LEU   B 1 123 ? 29.357 -4.384  2.274   1   36.462 ? 135 LEU   A H    1 c 2 
ATOM   3655 H HA   . LEU   B 1 123 ? 31.628 -3.988  0.71    1   41.612 ? 135 LEU   A HA   1 c 2 
ATOM   3656 H HB2  . LEU   B 1 123 ? 31.331 -4.325  3.531   1   41.291 ? 135 LEU   A HB2  1 c 2 
ATOM   3657 H HB3  . LEU   B 1 123 ? 32.716 -3.985  2.843   1   43.955 ? 135 LEU   A HB3  1 c 2 
ATOM   3658 H HG   . LEU   B 1 123 ? 30.489 -2.206  2.853   1   42.537 ? 135 LEU   A HG   1 c 2 
ATOM   3659 H HD11 . LEU   B 1 123 ? 31.605 -2.5    4.987   1   45.638 ? 135 LEU   A HD11 1 c 2 
ATOM   3660 H HD12 . LEU   B 1 123 ? 31.449 -1.003  4.492   1   45.641 ? 135 LEU   A HD12 1 c 2 
ATOM   3661 H HD13 . LEU   B 1 123 ? 32.843 -1.746  4.343   1   48.194 ? 135 LEU   A HD13 1 c 2 
ATOM   3662 H HD21 . LEU   B 1 123 ? 31.694 -1.667  1.031   1   46.177 ? 135 LEU   A HD21 1 c 2 
ATOM   3663 H HD22 . LEU   B 1 123 ? 33.077 -1.849  1.788   1   48.674 ? 135 LEU   A HD22 1 c 2 
ATOM   3664 H HD23 . LEU   B 1 123 ? 32.148 -0.606  2.119   1   47.144 ? 135 LEU   A HD23 1 c 2 
ATOM   3665 N N    . ASP   B 1 124 ? 31.011 -6.793  2.163   1   39.605 ? 136 ASP   A N    1 ? 2 
ATOM   3666 C CA   . ASP   B 1 124 ? 31.364 -8.181  2.26    1   41.706 ? 136 ASP   A CA   1 ? 2 
ATOM   3667 C C    . ASP   B 1 124 ? 30.225 -8.921  2.961   1   38.803 ? 136 ASP   A C    1 ? 2 
ATOM   3668 O O    . ASP   B 1 124 ? 29.418 -8.302  3.693   1   38.336 ? 136 ASP   A O    1 ? 2 
ATOM   3669 C CB   . ASP   B 1 124 ? 32.656 -8.363  3.025   1   45.094 ? 136 ASP   A CB   1 ? 2 
ATOM   3670 C CG   . ASP   B 1 124 ? 33.428 -9.639  2.692   1   48.902 ? 136 ASP   A CG   1 ? 2 
ATOM   3671 O OD1  . ASP   B 1 124 ? 32.975 -10.446 1.835   1   47.859 ? 136 ASP   A OD1  1 ? 2 
ATOM   3672 O OD2  . ASP   B 1 124 ? 34.477 -9.809  3.285   1   54.139 ? 136 ASP   A OD2  1 ? 2 
ATOM   3673 H H    . ASP   B 1 124 ? 30.298 -6.487  2.645   1   38.838 ? 136 ASP   A H    1 c 2 
ATOM   3674 H HA   . ASP   B 1 124 ? 31.468 -8.54   1.35    1   42.037 ? 136 ASP   A HA   1 c 2 
ATOM   3675 H HB2  . ASP   B 1 124 ? 33.249 -7.602  2.857   1   45.955 ? 136 ASP   A HB2  1 c 2 
ATOM   3676 H HB3  . ASP   B 1 124 ? 32.455 -8.374  3.985   1   44.864 ? 136 ASP   A HB3  1 c 2 
ATOM   3677 N N    . PHE   B 1 125 ? 30.214 -10.24  2.732   1   39.331 ? 137 PHE   A N    1 ? 2 
ATOM   3678 C CA   . PHE   B 1 125 ? 29.395 -11.139 3.53    1   38.437 ? 137 PHE   A CA   1 ? 2 
ATOM   3679 C C    . PHE   B 1 125 ? 30.094 -12.492 3.635   1   42.906 ? 137 PHE   A C    1 ? 2 
ATOM   3680 O O    . PHE   B 1 125 ? 30.794 -12.931 2.72    1   47.374 ? 137 PHE   A O    1 ? 2 
ATOM   3681 C CB   . PHE   B 1 125 ? 27.968 -11.272 2.985   1   36.796 ? 137 PHE   A CB   1 ? 2 
ATOM   3682 C CG   . PHE   B 1 125 ? 27.874 -11.726 1.533   1   38.861 ? 137 PHE   A CG   1 ? 2 
ATOM   3683 C CD1  . PHE   B 1 125 ? 27.79  -13.077 1.21    1   40.444 ? 137 PHE   A CD1  1 ? 2 
ATOM   3684 C CD2  . PHE   B 1 125 ? 27.91  -10.811 0.492   1   37.911 ? 137 PHE   A CD2  1 ? 2 
ATOM   3685 C CE1  . PHE   B 1 125 ? 27.708 -13.494 -0.11   1   44.048 ? 137 PHE   A CE1  1 ? 2 
ATOM   3686 C CE2  . PHE   B 1 125 ? 27.865 -11.25  -0.828  1   43.636 ? 137 PHE   A CE2  1 ? 2 
ATOM   3687 C CZ   . PHE   B 1 125 ? 27.688 -12.576 -1.12   1   44.822 ? 137 PHE   A CZ   1 ? 2 
ATOM   3688 H H    . PHE   B 1 125 ? 30.726 -10.587 2.059   1   40.528 ? 137 PHE   A H    1 c 2 
ATOM   3689 H HA   . PHE   B 1 125 ? 29.336 -10.757 4.442   1   38.645 ? 137 PHE   A HA   1 c 2 
ATOM   3690 H HB2  . PHE   B 1 125 ? 27.481 -11.914 3.548   1   37.237 ? 137 PHE   A HB2  1 c 2 
ATOM   3691 H HB3  . PHE   B 1 125 ? 27.521 -10.401 3.073   1   35.719 ? 137 PHE   A HB3  1 c 2 
ATOM   3692 H HD1  . PHE   B 1 125 ? 27.753 -13.716 1.904   1   41.698 ? 137 PHE   A HD1  1 c 2 
ATOM   3693 H HD2  . PHE   B 1 125 ? 27.99  -9.89   0.68    1   38.254 ? 137 PHE   A HD2  1 c 2 
ATOM   3694 H HE1  . PHE   B 1 125 ? 27.621 -14.413 -0.307  1   44.875 ? 137 PHE   A HE1  1 c 2 
ATOM   3695 H HE2  . PHE   B 1 125 ? 27.856 -10.615 -1.527  1   42.175 ? 137 PHE   A HE2  1 c 2 
ATOM   3696 H HZ   . PHE   B 1 125 ? 27.672 -12.864 -2.019  1   45.359 ? 137 PHE   A HZ   1 c 2 
ATOM   3697 N N    . LYS   B 1 126 ? 29.94  -13.124 4.789   1   42.924 ? 138 LYS   A N    1 ? 2 
ATOM   3698 C CA   . LYS   B 1 126 ? 30.611 -14.373 5.136   1   44.738 ? 138 LYS   A CA   1 ? 2 
ATOM   3699 C C    . LYS   B 1 126 ? 29.583 -15.297 5.798   1   43.521 ? 138 LYS   A C    1 ? 2 
ATOM   3700 O O    . LYS   B 1 126 ? 28.65  -14.818 6.435   1   40.971 ? 138 LYS   A O    1 ? 2 
ATOM   3701 C CB   . LYS   B 1 126 ? 31.838 -14.025 6.004   1   46.012 ? 138 LYS   A CB   1 ? 2 
ATOM   3702 H H    . LYS   B 1 126 ? 29.378 -12.756 5.409   1   41.844 ? 138 LYS   A H    1 c 2 
ATOM   3703 H HA   . LYS   B 1 126 ? 30.926 -14.803 4.301   1   45.412 ? 138 LYS   A HA   1 c 2 
ATOM   3704 H HB2  . LYS   B 1 126 ? 32.642 -14.235 5.477   0   30     ? 138 LYS   A HB2  1 c 2 
ATOM   3705 H HB3  . LYS   B 1 126 ? 31.524 -13.679 6.854   0   30     ? 138 LYS   A HB3  1 c 2 
ATOM   3706 N N    . GLY   B 1 127 ? 29.84  -16.609 5.742   1   51.891 ? 139 GLY   A N    1 ? 2 
ATOM   3707 C CA   . GLY   B 1 127 ? 28.983 -17.646 6.304   1   55.475 ? 139 GLY   A CA   1 ? 2 
ATOM   3708 C C    . GLY   B 1 127 ? 28.949 -17.622 7.831   1   59.294 ? 139 GLY   A C    1 ? 2 
ATOM   3709 O O    . GLY   B 1 127 ? 29.94  -17.271 8.466   1   61.767 ? 139 GLY   A O    1 ? 2 
ATOM   3710 H H    . GLY   B 1 127 ? 30.607 -16.875 5.322   1   52.049 ? 139 GLY   A H    1 c 2 
ATOM   3711 H HA2  . GLY   B 1 127 ? 28.069 -17.529 5.953   1   54.015 ? 139 GLY   A HA2  1 c 2 
ATOM   3712 H HA3  . GLY   B 1 127 ? 29.312 -18.521 6.002   1   57.292 ? 139 GLY   A HA3  1 c 2 
ATOM   3713 N N    . GLU   B 1 128 ? 27.78  -17.926 8.408   1   60.899 ? 140 GLU   A N    1 ? 2 
ATOM   3714 C CA   . GLU   B 1 128 ? 27.704 -18.463 9.764   1   65.62  ? 140 GLU   A CA   1 ? 2 
ATOM   3715 C C    . GLU   B 1 128 ? 29.022 -19.21  10.07   1   71.527 ? 140 GLU   A C    1 ? 2 
ATOM   3716 O O    . GLU   B 1 128 ? 29.18  -20.363 9.595   1   69.498 ? 140 GLU   A O    1 ? 2 
ATOM   3717 C CB   . GLU   B 1 128 ? 26.475 -19.379 9.914   1   71.154 ? 140 GLU   A CB   1 ? 2 
ATOM   3718 O OXT  . GLU   B 1 128 ? 29.876 -18.617 10.759  1   74.526 ? 140 GLU   A OXT  1 ? 2 
ATOM   3719 H H    . GLU   B 1 128 ? 27.005 -17.787 7.945   1   59.491 ? 140 GLU   A H    1 c 2 
ATOM   3720 H HA   . GLU   B 1 128 ? 27.616 -17.703 10.395  1   65.562 ? 140 GLU   A HA   1 c 2 
ATOM   3721 H HB2  . GLU   B 1 128 ? 26.777 -20.239 10.173  0   30     ? 140 GLU   A HB2  1 c 2 
ATOM   3722 H HB3  . GLU   B 1 128 ? 25.691 -18.769 9.845   0   30     ? 140 GLU   A HB3  1 c 2 
HETATM 3723 C C4   . A1INW C 2 .   ? 5.284  -14.712 18.246  1   35.825 ? 201 A1INW B C4   1 ? 1 
HETATM 3724 C C14  . A1INW C 2 .   ? 8.4    -18.764 17.52   1   49.571 ? 201 A1INW B C14  1 ? 1 
HETATM 3725 C C5   . A1INW C 2 .   ? 4.462  -15.666 17.66   1   35.892 ? 201 A1INW B C5   1 ? 1 
HETATM 3726 C C6   . A1INW C 2 .   ? 4.507  -15.932 16.293  1   41.262 ? 201 A1INW B C6   1 ? 1 
HETATM 3727 C C11  . A1INW C 2 .   ? 3.67   -20.221 16.602  1   61.161 ? 201 A1INW B C11  1 ? 1 
HETATM 3728 C C7   . A1INW C 2 .   ? 5.355  -15.21  15.476  1   41.664 ? 201 A1INW B C7   1 ? 1 
HETATM 3729 C C8   . A1INW C 2 .   ? 5.247  -14.506 13.093  1   58.897 ? 201 A1INW B C8   1 ? 1 
HETATM 3730 C C9   . A1INW C 2 .   ? 3.01   -17.82  16.502  1   50.003 ? 201 A1INW B C9   1 ? 1 
HETATM 3731 C C10  . A1INW C 2 .   ? 2.905  -19.165 15.804  1   55.094 ? 201 A1INW B C10  1 ? 1 
HETATM 3732 C C12  . A1INW C 2 .   ? 5.886  -19.383 17.509  1   51.258 ? 201 A1INW B C12  1 ? 1 
HETATM 3733 C C13  . A1INW C 2 .   ? 7.143  -19.356 16.967  1   48.934 ? 201 A1INW B C13  1 ? 1 
HETATM 3734 N N1   . A1INW C 2 .   ? 5.115  -19.976 16.573  1   57.681 ? 201 A1INW B N1   1 ? 1 
HETATM 3735 N N2   . A1INW C 2 .   ? 7.081  -19.965 15.761  1   48.472 ? 201 A1INW B N2   1 ? 1 
HETATM 3736 C C3   . A1INW C 2 .   ? 6.166  -14.003 17.43   1   37.267 ? 201 A1INW B C3   1 ? 1 
HETATM 3737 N N3   . A1INW C 2 .   ? 5.843  -20.31  15.481  1   49.344 ? 201 A1INW B N3   1 ? 1 
HETATM 3738 C C1   . A1INW C 2 .   ? 7.893  -12.588 15.619  1   38.337 ? 201 A1INW B C1   1 ? 1 
HETATM 3739 O O1   . A1INW C 2 .   ? 7.003  -13.609 15.151  1   42.959 ? 201 A1INW B O1   1 ? 1 
HETATM 3740 C C2   . A1INW C 2 .   ? 6.161  -14.213 16.056  1   38.243 ? 201 A1INW B C2   1 ? 1 
HETATM 3741 O O2   . A1INW C 2 .   ? 5.426  -15.51  14.119  1   45.773 ? 201 A1INW B O2   1 ? 1 
HETATM 3742 O O3   . A1INW C 2 .   ? 3.743  -16.886 15.663  1   44.603 ? 201 A1INW B O3   1 ? 1 
HETATM 3743 C C15  . A1INW C 2 .   ? 8.656  -17.375 16.891  1   44.277 ? 201 A1INW B C15  1 ? 1 
HETATM 3744 C C16  . A1INW C 2 .   ? 9.292  -17.515 15.516  1   51.571 ? 201 A1INW B C16  1 ? 1 
HETATM 3745 C C17  . A1INW C 2 .   ? 9.436  -16.44  17.74   1   38.246 ? 201 A1INW B C17  1 ? 1 
HETATM 3746 O O4   . A1INW C 2 .   ? 8.658  -16.266 18.96   1   35.174 ? 201 A1INW B O4   1 ? 1 
HETATM 3747 C C18  . A1INW C 2 .   ? 9.337  -16.124 20.098  1   34.04  ? 201 A1INW B C18  1 ? 1 
HETATM 3748 O O5   . A1INW C 2 .   ? 10.531 -16.142 20.177  1   34.338 ? 201 A1INW B O5   1 ? 1 
HETATM 3749 C C19  . A1INW C 2 .   ? 8.428  -15.854 21.283  1   30.848 ? 201 A1INW B C19  1 ? 1 
HETATM 3750 C C20  . A1INW C 2 .   ? 8.553  -16.95  22.338  1   34.42  ? 201 A1INW B C20  1 ? 1 
HETATM 3751 C C21  . A1INW C 2 .   ? 7.989  -18.27  21.845  1   37.313 ? 201 A1INW B C21  1 ? 1 
HETATM 3752 C C22  . A1INW C 2 .   ? 6.509  -18.071 21.547  1   37.037 ? 201 A1INW B C22  1 ? 1 
HETATM 3753 C C23  . A1INW C 2 .   ? 6.292  -17.001 20.46   1   35.817 ? 201 A1INW B C23  1 ? 1 
HETATM 3754 N N4   . A1INW C 2 .   ? 7.056  -15.72  20.762  1   34.453 ? 201 A1INW B N4   1 ? 1 
HETATM 3755 C C24  . A1INW C 2 .   ? 6.604  -14.498 20.39   1   34.663 ? 201 A1INW B C24  1 ? 1 
HETATM 3756 O O6   . A1INW C 2 .   ? 7.367  -13.474 20.445  1   33.51  ? 201 A1INW B O6   1 ? 1 
HETATM 3757 C C25  . A1INW C 2 .   ? 5.188  -14.416 19.756  1   32.659 ? 201 A1INW B C25  1 ? 1 
HETATM 3758 C C26  . A1INW C 2 .   ? 4.554  -13.029 20.085  1   35.334 ? 201 A1INW B C26  1 ? 1 
HETATM 3759 C C27  . A1INW C 2 .   ? 4.196  -12.872 21.563  1   34.191 ? 201 A1INW B C27  1 ? 1 
HETATM 3760 C C28  . A1INW C 2 .   ? 3.65   -11.46  21.847  1   36.447 ? 201 A1INW B C28  1 ? 1 
HETATM 3761 C C29  . A1INW C 2 .   ? 2.422  -11.138 21.043  1   37.205 ? 201 A1INW B C29  1 ? 1 
HETATM 3762 C C30  . A1INW C 2 .   ? 2.661  -11.342 19.57   1   42.317 ? 201 A1INW B C30  1 ? 1 
HETATM 3763 C C31  . A1INW C 2 .   ? 3.296  -12.714 19.247  1   38.62  ? 201 A1INW B C31  1 ? 1 
HETATM 3764 H H17  . A1INW C 2 .   ? 8.322  -18.673 18.494  1   46.397 ? 201 A1INW B H17  1 c 1 
HETATM 3765 H H16  . A1INW C 2 .   ? 9.159  -19.354 17.323  1   48.28  ? 201 A1INW B H16  1 c 1 
HETATM 3766 H H5   . A1INW C 2 .   ? 3.873  -16.155 18.21   1   37.307 ? 201 A1INW B H5   1 c 1 
HETATM 3767 H H14  . A1INW C 2 .   ? 3.363  -20.213 17.531  1   57.875 ? 201 A1INW B H14  1 c 1 
HETATM 3768 H H13  . A1INW C 2 .   ? 3.488  -21.107 16.226  1   60.551 ? 201 A1INW B H13  1 c 1 
HETATM 3769 H H7   . A1INW C 2 .   ? 5.662  -14.809 12.269  1   56.092 ? 201 A1INW B H7   1 c 1 
HETATM 3770 H H8   . A1INW C 2 .   ? 5.656  -13.672 13.372  1   53.545 ? 201 A1INW B H8   1 c 1 
HETATM 3771 H H6   . A1INW C 2 .   ? 4.298  -14.365 12.944  1   55.882 ? 201 A1INW B H6   1 c 1 
HETATM 3772 H H9   . A1INW C 2 .   ? 2.109  -17.469 16.68   1   49.758 ? 201 A1INW B H9   1 c 1 
HETATM 3773 H H10  . A1INW C 2 .   ? 3.469  -17.933 17.362  1   47.549 ? 201 A1INW B H10  1 c 1 
HETATM 3774 H H12  . A1INW C 2 .   ? 1.962  -19.427 15.73   1   57.259 ? 201 A1INW B H12  1 c 1 
HETATM 3775 H H11  . A1INW C 2 .   ? 3.279  -19.1   14.9    1   56.803 ? 201 A1INW B H11  1 c 1 
HETATM 3776 H H15  . A1INW C 2 .   ? 5.606  -19.01  18.326  1   50.267 ? 201 A1INW B H15  1 c 1 
HETATM 3777 H H4   . A1INW C 2 .   ? 6.695  -13.315 17.803  1   35.72  ? 201 A1INW B H4   1 c 1 
HETATM 3778 H H2   . A1INW C 2 .   ? 8.389  -12.224 14.868  1   40.174 ? 201 A1INW B H2   1 c 1 
HETATM 3779 H H3   . A1INW C 2 .   ? 8.513  -12.969 16.262  1   38.024 ? 201 A1INW B H3   1 c 1 
HETATM 3780 H H1   . A1INW C 2 .   ? 7.381  -11.88  16.042  1   38.808 ? 201 A1INW B H1   1 c 1 
HETATM 3781 H H18  . A1INW C 2 .   ? 7.774  -16.952 16.748  1   45.54  ? 201 A1INW B H18  1 c 1 
HETATM 3782 H H21  . A1INW C 2 .   ? 10.109 -18.037 15.588  1   49.901 ? 201 A1INW B H21  1 c 1 
HETATM 3783 H H19  . A1INW C 2 .   ? 9.502  -16.633 15.164  1   49.72  ? 201 A1INW B H19  1 c 1 
HETATM 3784 H H20  . A1INW C 2 .   ? 8.674  -17.963 14.915  1   51.331 ? 201 A1INW B H20  1 c 1 
HETATM 3785 H H23  . A1INW C 2 .   ? 10.317 -16.821 17.939  1   38.432 ? 201 A1INW B H23  1 c 1 
HETATM 3786 H H22  . A1INW C 2 .   ? 9.554  -15.582 17.282  1   38.882 ? 201 A1INW B H22  1 c 1 
HETATM 3787 H H24  . A1INW C 2 .   ? 8.692  -14.986 21.689  1   31.548 ? 201 A1INW B H24  1 c 1 
HETATM 3788 H H26  . A1INW C 2 .   ? 9.504  -17.069 22.577  1   33.299 ? 201 A1INW B H26  1 c 1 
HETATM 3789 H H25  . A1INW C 2 .   ? 8.067  -16.673 23.151  1   33.13  ? 201 A1INW B H25  1 c 1 
HETATM 3790 H H27  . A1INW C 2 .   ? 8.104  -18.964 22.534  1   36.577 ? 201 A1INW B H27  1 c 1 
HETATM 3791 H H28  . A1INW C 2 .   ? 8.462  -18.559 21.031  1   37.495 ? 201 A1INW B H28  1 c 1 
HETATM 3792 H H29  . A1INW C 2 .   ? 6.044  -17.799 22.367  1   36.278 ? 201 A1INW B H29  1 c 1 
HETATM 3793 H H30  . A1INW C 2 .   ? 6.121  -18.921 21.247  1   38.032 ? 201 A1INW B H30  1 c 1 
HETATM 3794 H H31  . A1INW C 2 .   ? 5.332  -16.806 20.394  1   36.844 ? 201 A1INW B H31  1 c 1 
HETATM 3795 H H32  . A1INW C 2 .   ? 6.587  -17.357 19.591  1   37.24  ? 201 A1INW B H32  1 c 1 
HETATM 3796 H H33  . A1INW C 2 .   ? 4.623  -15.122 20.163  1   34.366 ? 201 A1INW B H33  1 c 1 
HETATM 3797 H H34  . A1INW C 2 .   ? 5.229  -12.334 19.871  1   34.606 ? 201 A1INW B H34  1 c 1 
HETATM 3798 H H36  . A1INW C 2 .   ? 3.521  -13.538 21.808  1   35.173 ? 201 A1INW B H36  1 c 1 
HETATM 3799 H H35  . A1INW C 2 .   ? 4.991  -13.029 22.111  1   33.413 ? 201 A1INW B H35  1 c 1 
HETATM 3800 H H37  . A1INW C 2 .   ? 4.349  -10.799 21.643  1   35.185 ? 201 A1INW B H37  1 c 1 
HETATM 3801 H H38  . A1INW C 2 .   ? 3.436  -11.385 22.803  1   35.075 ? 201 A1INW B H38  1 c 1 
HETATM 3802 H H39  . A1INW C 2 .   ? 2.162  -10.205 21.204  1   38.634 ? 201 A1INW B H39  1 c 1 
HETATM 3803 H H40  . A1INW C 2 .   ? 1.682  -11.714 21.335  1   38.96  ? 201 A1INW B H40  1 c 1 
HETATM 3804 H H41  . A1INW C 2 .   ? 3.251  -10.629 19.24   1   40.411 ? 201 A1INW B H41  1 c 1 
HETATM 3805 H H42  . A1INW C 2 .   ? 1.805  -11.266 19.094  1   42.219 ? 201 A1INW B H42  1 c 1 
HETATM 3806 H H44  . A1INW C 2 .   ? 2.63   -13.415 19.399  1   39.747 ? 201 A1INW B H44  1 c 1 
HETATM 3807 H H43  . A1INW C 2 .   ? 3.534  -12.733 18.297  1   39.981 ? 201 A1INW B H43  1 c 1 
HETATM 3808 C C4   . A1INW D 2 .   ? 18.47  3.882   12.755  1   28.861 ? 201 A1INW A C4   1 ? 2 
HETATM 3809 C C14  . A1INW D 2 .   ? 20.515 -0.554  13.925  1   35.331 ? 201 A1INW A C14  1 ? 2 
HETATM 3810 C C5   . A1INW D 2 .   ? 19.723 4.07    13.318  1   29.702 ? 201 A1INW A C5   1 ? 2 
HETATM 3811 C C6   . A1INW D 2 .   ? 19.882 3.97    14.699  1   34.23  ? 201 A1INW A C6   1 ? 2 
HETATM 3812 C C11  . A1INW D 2 .   ? 23.945 3.03    14.739  1   43.583 ? 201 A1INW A C11  1 ? 2 
HETATM 3813 C C7   . A1INW D 2 .   ? 18.798 3.648   15.502  1   36.781 ? 201 A1INW A C7   1 ? 2 
HETATM 3814 C C8   . A1INW D 2 .   ? 19.304 2.331   17.341  1   38.83  ? 201 A1INW A C8   1 ? 2 
HETATM 3815 C C9   . A1INW D 2 .   ? 22.19  4.783   14.813  1   42.324 ? 201 A1INW A C9   1 ? 2 
HETATM 3816 C C10  . A1INW D 2 .   ? 23.427 4.232   15.483  1   43.49  ? 201 A1INW A C10  1 ? 2 
HETATM 3817 C C12  . A1INW D 2 .   ? 22.234 1.388   13.874  1   41.157 ? 201 A1INW A C12  1 ? 2 
HETATM 3818 C C13  . A1INW D 2 .   ? 21.564 0.354   14.472  1   38.976 ? 201 A1INW A C13  1 ? 2 
HETATM 3819 N N1   . A1INW D 2 .   ? 23.023 1.904   14.83   1   43.386 ? 201 A1INW A N1   1 ? 2 
HETATM 3820 N N2   . A1INW D 2 .   ? 21.926 0.328   15.776  1   42.542 ? 201 A1INW A N2   1 ? 2 
HETATM 3821 C C3   . A1INW D 2 .   ? 17.37  3.594   13.542  1   29.409 ? 201 A1INW A C3   1 ? 2 
HETATM 3822 N N3   . A1INW D 2 .   ? 22.804 1.282   16.013  1   47.201 ? 201 A1INW A N3   1 ? 2 
HETATM 3823 C C1   . A1INW D 2 .   ? 15.29  2.868   15.329  1   35.641 ? 201 A1INW A C1   1 ? 2 
HETATM 3824 O O1   . A1INW D 2 .   ? 16.546 3.196   15.858  1   34.948 ? 201 A1INW A O1   1 ? 2 
HETATM 3825 C C2   . A1INW D 2 .   ? 17.544 3.433   14.934  1   35.41  ? 201 A1INW A C2   1 ? 2 
HETATM 3826 O O2   . A1INW D 2 .   ? 18.959 3.649   16.893  1   38.206 ? 201 A1INW A O2   1 ? 2 
HETATM 3827 O O3   . A1INW D 2 .   ? 21.045 4.153   15.415  1   36.948 ? 201 A1INW A O3   1 ? 2 
HETATM 3828 C C15  . A1INW D 2 .   ? 19.117 -0.246  14.448  1   33.157 ? 201 A1INW A C15  1 ? 2 
HETATM 3829 C C16  . A1INW D 2 .   ? 18.89  -0.969  15.811  1   40.091 ? 201 A1INW A C16  1 ? 2 
HETATM 3830 C C17  . A1INW D 2 .   ? 18.053 -0.647  13.454  1   32.011 ? 201 A1INW A C17  1 ? 2 
HETATM 3831 O O4   . A1INW D 2 .   ? 18.14  0.196   12.258  1   28.694 ? 201 A1INW A O4   1 ? 2 
HETATM 3832 C C18  . A1INW D 2 .   ? 17.609 -0.325  11.167  1   28.171 ? 201 A1INW A C18  1 ? 2 
HETATM 3833 O O5   . A1INW D 2 .   ? 17.053 -1.366  11.111  1   28.572 ? 201 A1INW A O5   1 ? 2 
HETATM 3834 C C19  . A1INW D 2 .   ? 17.867 0.538   9.925   1   24.604 ? 201 A1INW A C19  1 ? 2 
HETATM 3835 C C20  . A1INW D 2 .   ? 18.702 -0.272  8.956   1   26.105 ? 201 A1INW A C20  1 ? 2 
HETATM 3836 C C21  . A1INW D 2 .   ? 20.1   -0.456  9.48    1   26.468 ? 201 A1INW A C21  1 ? 2 
HETATM 3837 C C22  . A1INW D 2 .   ? 20.751 0.916   9.646   1   26.428 ? 201 A1INW A C22  1 ? 2 
HETATM 3838 C C23  . A1INW D 2 .   ? 19.941 1.783   10.647  1   25.375 ? 201 A1INW A C23  1 ? 2 
HETATM 3839 N N4   . A1INW D 2 .   ? 18.505 1.78    10.36   1   25.92  ? 201 A1INW A N4   1 ? 2 
HETATM 3840 C C24  . A1INW D 2 .   ? 17.651 2.774   10.708  1   25.866 ? 201 A1INW A C24  1 ? 2 
HETATM 3841 O O6   . A1INW D 2 .   ? 16.439 2.62    10.65   1   26.685 ? 201 A1INW A O6   1 ? 2 
HETATM 3842 C C25  . A1INW D 2 .   ? 18.273 4.04    11.233  1   27.109 ? 201 A1INW A C25  1 ? 2 
HETATM 3843 C C26  . A1INW D 2 .   ? 17.412 5.26    10.915  1   26.707 ? 201 A1INW A C26  1 ? 2 
HETATM 3844 C C27  . A1INW D 2 .   ? 17.353 5.521   9.396   1   24.712 ? 201 A1INW A C27  1 ? 2 
HETATM 3845 C C28  . A1INW D 2 .   ? 16.593 6.819   9.119   1   27.746 ? 201 A1INW A C28  1 ? 2 
HETATM 3846 C C29  . A1INW D 2 .   ? 17.096 8.06    9.775   1   28.989 ? 201 A1INW A C29  1 ? 2 
HETATM 3847 C C30  . A1INW D 2 .   ? 17.197 7.819   11.235  1   31.142 ? 201 A1INW A C30  1 ? 2 
HETATM 3848 C C31  . A1INW D 2 .   ? 17.917 6.5     11.581  1   28.294 ? 201 A1INW A C31  1 ? 2 
HETATM 3849 H H17  . A1INW D 2 .   ? 20.509 -0.481  12.946  1   33.757 ? 201 A1INW A H17  1 c 2 
HETATM 3850 H H16  . A1INW D 2 .   ? 20.742 -1.481  14.154  1   35.778 ? 201 A1INW A H16  1 c 2 
HETATM 3851 H H5   . A1INW D 2 .   ? 20.455 4.291   12.767  1   30.416 ? 201 A1INW A H5   1 c 2 
HETATM 3852 H H14  . A1INW D 2 .   ? 24.076 3.262   13.797  1   42.275 ? 201 A1INW A H14  1 c 2 
HETATM 3853 H H13  . A1INW D 2 .   ? 24.81  2.766   15.114  1   44.978 ? 201 A1INW A H13  1 c 2 
HETATM 3854 H H7   . A1INW D 2 .   ? 19.412 2.337   18.306  1   40.922 ? 201 A1INW A H7   1 c 2 
HETATM 3855 H H8   . A1INW D 2 .   ? 20.137 2.055   16.925  1   38.415 ? 201 A1INW A H8   1 c 2 
HETATM 3856 H H6   . A1INW D 2 .   ? 18.598 1.711   17.099  1   37.858 ? 201 A1INW A H6   1 c 2 
HETATM 3857 H H9   . A1INW D 2 .   ? 22.144 5.756   14.94   1   41.717 ? 201 A1INW A H9   1 c 2 
HETATM 3858 H H10  . A1INW D 2 .   ? 22.219 4.594   13.851  1   39.131 ? 201 A1INW A H10  1 c 2 
HETATM 3859 H H12  . A1INW D 2 .   ? 24.121 4.925   15.507  1   45.333 ? 201 A1INW A H12  1 c 2 
HETATM 3860 H H11  . A1INW D 2 .   ? 23.216 3.98    16.407  1   45.288 ? 201 A1INW A H11  1 c 2 
HETATM 3861 H H15  . A1INW D 2 .   ? 22.186 1.656   12.972  1   39.281 ? 201 A1INW A H15  1 c 2 
HETATM 3862 H H4   . A1INW D 2 .   ? 16.526 3.453   13.143  1   29.391 ? 201 A1INW A H4   1 c 2 
HETATM 3863 H H2   . A1INW D 2 .   ? 14.676 2.672   16.056  1   36.241 ? 201 A1INW A H2   1 c 2 
HETATM 3864 H H3   . A1INW D 2 .   ? 15.373 2.087   14.759  1   33.825 ? 201 A1INW A H3   1 c 2 
HETATM 3865 H H1   . A1INW D 2 .   ? 14.949 3.615   14.811  1   34.346 ? 201 A1INW A H1   1 c 2 
HETATM 3866 H H18  . A1INW D 2 .   ? 19.046 0.73    14.594  1   34.776 ? 201 A1INW A H18  1 c 2 
HETATM 3867 H H21  . A1INW D 2 .   ? 19.312 -1.844  15.79   1   38.884 ? 201 A1INW A H21  1 c 2 
HETATM 3868 H H19  . A1INW D 2 .   ? 17.938 -1.074  15.966  1   38.631 ? 201 A1INW A H19  1 c 2 
HETATM 3869 H H20  . A1INW D 2 .   ? 19.279 -0.44   16.528  1   40.088 ? 201 A1INW A H20  1 c 2 
HETATM 3870 H H23  . A1INW D 2 .   ? 18.176 -1.588  13.211  1   31.214 ? 201 A1INW A H23  1 c 2 
HETATM 3871 H H22  . A1INW D 2 .   ? 17.168 -0.549  13.863  1   31.829 ? 201 A1INW A H22  1 c 2 
HETATM 3872 H H24  . A1INW D 2 .   ? 16.995 0.758   9.501   1   24.895 ? 201 A1INW A H24  1 c 2 
HETATM 3873 H H26  . A1INW D 2 .   ? 18.283 -1.155  8.814   1   25.201 ? 201 A1INW A H26  1 c 2 
HETATM 3874 H H25  . A1INW D 2 .   ? 18.736 0.195   8.088   1   24.87  ? 201 A1INW A H25  1 c 2 
HETATM 3875 H H27  . A1INW D 2 .   ? 20.624 -0.999  8.848   1   26.211 ? 201 A1INW A H27  1 c 2 
HETATM 3876 H H28  . A1INW D 2 .   ? 20.079 -0.924  10.346  1   27.248 ? 201 A1INW A H28  1 c 2 
HETATM 3877 H H29  . A1INW D 2 .   ? 20.789 1.369   8.777   1   25.629 ? 201 A1INW A H29  1 c 2 
HETATM 3878 H H30  . A1INW D 2 .   ? 21.668 0.806   9.976   1   27.134 ? 201 A1INW A H30  1 c 2 
HETATM 3879 H H31  . A1INW D 2 .   ? 20.28  2.705   10.609  1   26.636 ? 201 A1INW A H31  1 c 2 
HETATM 3880 H H32  . A1INW D 2 .   ? 20.09  1.447   11.559  1   27.113 ? 201 A1INW A H32  1 c 2 
HETATM 3881 H H33  . A1INW D 2 .   ? 19.165 4.161   10.818  1   27.1   ? 201 A1INW A H33  1 c 2 
HETATM 3882 H H34  . A1INW D 2 .   ? 16.489 5.088   11.237  1   26.549 ? 201 A1INW A H34  1 c 2 
HETATM 3883 H H36  . A1INW D 2 .   ? 18.262 5.588   9.037   1   25.576 ? 201 A1INW A H36  1 c 2 
HETATM 3884 H H35  . A1INW D 2 .   ? 16.901 4.777   8.95    1   24.447 ? 201 A1INW A H35  1 c 2 
HETATM 3885 H H37  . A1INW D 2 .   ? 15.658 6.688   9.391   1   26.865 ? 201 A1INW A H37  1 c 2 
HETATM 3886 H H38  . A1INW D 2 .   ? 16.59  6.969   8.147   1   26.477 ? 201 A1INW A H38  1 c 2 
HETATM 3887 H H39  . A1INW D 2 .   ? 16.479 8.803   9.601   1   29.772 ? 201 A1INW A H39  1 c 2 
HETATM 3888 H H40  . A1INW D 2 .   ? 17.979 8.294   9.414   1   29.714 ? 201 A1INW A H40  1 c 2 
HETATM 3889 H H41  . A1INW D 2 .   ? 16.293 7.8     11.619  1   30.48  ? 201 A1INW A H41  1 c 2 
HETATM 3890 H H42  . A1INW D 2 .   ? 17.682 8.566   11.65   1   31.815 ? 201 A1INW A H42  1 c 2 
HETATM 3891 H H44  . A1INW D 2 .   ? 18.865 6.602   11.359  1   29.216 ? 201 A1INW A H44  1 c 2 
HETATM 3892 H H43  . A1INW D 2 .   ? 17.863 6.373   12.55   1   29.895 ? 201 A1INW A H43  1 c 2 
HETATM 3893 O O    . HOH   E 3 .   ? 2.659  -28.875 33.441  1   46.244 ? 301 HOH   B O    1 ? ? 
HETATM 3894 O O    . HOH   E 3 .   ? 21.789 -3.57   38.355  1   52.136 ? 302 HOH   B O    1 ? ? 
HETATM 3895 O O    . HOH   E 3 .   ? 18.939 -16.246 34.945  1   39.874 ? 303 HOH   B O    1 ? ? 
HETATM 3896 O O    . HOH   E 3 .   ? 18.089 -13.489 40.032  1   44.982 ? 304 HOH   B O    1 ? ? 
HETATM 3897 O O    . HOH   E 3 .   ? 12.018 -22.113 39.198  1   36.196 ? 305 HOH   B O    1 ? ? 
HETATM 3898 O O    . HOH   E 3 .   ? 17.715 -5.725  39.064  1   33.122 ? 306 HOH   B O    1 ? ? 
HETATM 3899 O O    . HOH   E 3 .   ? 24.597 -11.121 37.791  1   45.012 ? 307 HOH   B O    1 ? ? 
HETATM 3900 O O    . HOH   E 3 .   ? 18.753 -18.353 33.077  1   33.769 ? 308 HOH   B O    1 ? ? 
HETATM 3901 O O    . HOH   E 3 .   ? -4.327 -26.268 23.644  1   47.167 ? 309 HOH   B O    1 ? ? 
HETATM 3902 O O    . HOH   E 3 .   ? 8.907  -24.143 40.376  1   36.386 ? 310 HOH   B O    1 ? ? 
HETATM 3903 O O    . HOH   E 3 .   ? 10.07  -2.463  29.502  1   34.016 ? 311 HOH   B O    1 ? ? 
HETATM 3904 O O    . HOH   E 3 .   ? 16.57  -21.514 21.554  1   43.132 ? 312 HOH   B O    1 ? ? 
HETATM 3905 O O    . HOH   E 3 .   ? 10.403 -6.034  40.392  1   34.168 ? 313 HOH   B O    1 ? ? 
HETATM 3906 O O    . HOH   E 3 .   ? 22.053 -9.962  30.884  1   33.555 ? 314 HOH   B O    1 ? ? 
HETATM 3907 O O    . HOH   E 3 .   ? 13.656 -7.229  41.141  1   41.294 ? 315 HOH   B O    1 ? ? 
HETATM 3908 O O    . HOH   E 3 .   ? 15.944 -11.831 21.547  1   29.112 ? 316 HOH   B O    1 ? ? 
HETATM 3909 O O    . HOH   E 3 .   ? 14.558 -0.932  27.258  1   38.144 ? 317 HOH   B O    1 ? ? 
HETATM 3910 O O    . HOH   E 3 .   ? 10.57  -4.823  19.423  1   30.937 ? 318 HOH   B O    1 ? ? 
HETATM 3911 O O    . HOH   E 3 .   ? 5.524  -2.48   24.427  1   46.672 ? 319 HOH   B O    1 ? ? 
HETATM 3912 O O    . HOH   E 3 .   ? 21.133 -12.941 31.338  1   42.162 ? 320 HOH   B O    1 ? ? 
HETATM 3913 O O    . HOH   E 3 .   ? 12.234 -11.452 13.942  1   37.184 ? 321 HOH   B O    1 ? ? 
HETATM 3914 O O    . HOH   E 3 .   ? 10.497 -6.612  21.526  1   28.302 ? 322 HOH   B O    1 ? ? 
HETATM 3915 O O    . HOH   E 3 .   ? 8.642  -2.929  33.605  1   36.618 ? 323 HOH   B O    1 ? ? 
HETATM 3916 O O    . HOH   E 3 .   ? 15.696 -9.496  41.531  1   34.636 ? 324 HOH   B O    1 ? ? 
HETATM 3917 O O    . HOH   E 3 .   ? 11.454 -6.396  31.919  1   31.816 ? 325 HOH   B O    1 ? ? 
HETATM 3918 O O    . HOH   E 3 .   ? 8.712  -15.731 41.96   1   42.608 ? 326 HOH   B O    1 ? ? 
HETATM 3919 O O    . HOH   E 3 .   ? 17.818 -3.019  19.274  1   44.101 ? 327 HOH   B O    1 ? ? 
HETATM 3920 O O    . HOH   E 3 .   ? 13.069 -1.286  34.907  1   41.763 ? 328 HOH   B O    1 ? ? 
HETATM 3921 O O    . HOH   E 3 .   ? -0.069 -20.985 30.862  1   47.583 ? 329 HOH   B O    1 ? ? 
HETATM 3922 O O    . HOH   E 3 .   ? 15.255 -5.42   39.992  1   36.132 ? 330 HOH   B O    1 ? ? 
HETATM 3923 O O    . HOH   E 3 .   ? 2.12   -11.118 37.466  1   41.725 ? 331 HOH   B O    1 ? ? 
HETATM 3924 O O    . HOH   E 3 .   ? 17.858 -2.103  30.278  1   41.447 ? 332 HOH   B O    1 ? ? 
HETATM 3925 O O    . HOH   E 3 .   ? 10.284 -5.06   11.778  1   29.137 ? 333 HOH   B O    1 ? ? 
HETATM 3926 O O    . HOH   E 3 .   ? 17.037 -4.507  16.771  1   41.821 ? 334 HOH   B O    1 ? ? 
HETATM 3927 O O    . HOH   E 3 .   ? -0.63  -4.349  33.907  1   42.393 ? 335 HOH   B O    1 ? ? 
HETATM 3928 O O    . HOH   E 3 .   ? 19.274 -0.78   19.511  1   47.065 ? 336 HOH   B O    1 ? ? 
HETATM 3929 O O    . HOH   E 3 .   ? -2.839 -6.535  32.399  1   64.903 ? 337 HOH   B O    1 ? ? 
HETATM 3930 O O    . HOH   E 3 .   ? 18.161 -4.299  21.59   1   57.502 ? 338 HOH   B O    1 ? ? 
HETATM 3931 O O    . HOH   E 3 .   ? 13.446 -15.223 17.251  1   57.117 ? 339 HOH   B O    1 ? ? 
HETATM 3932 O O    . HOH   E 3 .   ? -3.710 -23.486 33.694  1   40.278 ? 340 HOH   B O    1 ? ? 
HETATM 3933 O O    . HOH   F 3 .   ? 33.997 1.323   -0.616  1   52.999 ? 301 HOH   A O    1 ? ? 
HETATM 3934 O O    . HOH   F 3 .   ? 22.184 -7.023  -7.294  1   37.078 ? 302 HOH   A O    1 ? ? 
HETATM 3935 O O    . HOH   F 3 .   ? 18.906 12.752  -0.926  1   44.893 ? 303 HOH   A O    1 ? ? 
HETATM 3936 O O    . HOH   F 3 .   ? 13.901 4.401   18.556  1   43.627 ? 304 HOH   A O    1 ? ? 
HETATM 3937 O O    . HOH   F 3 .   ? 22.766 8.25    13.928  1   45.168 ? 305 HOH   A O    1 ? ? 
HETATM 3938 O O    . HOH   F 3 .   ? 5.262  7.905   4.692   1   35.541 ? 306 HOH   A O    1 ? ? 
HETATM 3939 O O    . HOH   F 3 .   ? 28.861 -10.976 -5.044  1   35.377 ? 307 HOH   A O    1 ? ? 
HETATM 3940 O O    . HOH   F 3 .   ? 13.061 -9.519  8.136   1   53.191 ? 308 HOH   A O    1 ? ? 
HETATM 3941 O O    . HOH   F 3 .   ? 26.589 -16.73  1.001   1   44.463 ? 309 HOH   A O    1 ? ? 
HETATM 3942 O O    . HOH   F 3 .   ? 5.3    -3.19   -8.469  1   37.127 ? 310 HOH   A O    1 ? ? 
HETATM 3943 O O    . HOH   F 3 .   ? 27.300 9.076   -1.607  1   37.259 ? 311 HOH   A O    1 ? ? 
HETATM 3944 O O    . HOH   F 3 .   ? 7.172  4.667   11.026  1   31.285 ? 312 HOH   A O    1 ? ? 
HETATM 3945 O O    . HOH   F 3 .   ? 9.3    2.706   -9.529  1   37.218 ? 313 HOH   A O    1 ? ? 
HETATM 3946 O O    . HOH   F 3 .   ? 18.869 -5.68   -8.012  1   34.793 ? 314 HOH   A O    1 ? ? 
HETATM 3947 O O    . HOH   F 3 .   ? 26.635 -18.975 3.673   1   35.139 ? 315 HOH   A O    1 ? ? 
HETATM 3948 O O    . HOH   F 3 .   ? 7.522  6.399   -3.614  1   37.247 ? 316 HOH   A O    1 ? ? 
HETATM 3949 O O    . HOH   F 3 .   ? 18.359 7.357   -6.648  1   43.267 ? 317 HOH   A O    1 ? ? 
HETATM 3950 O O    . HOH   F 3 .   ? 7.496  5.09    -10.944 1   43.297 ? 318 HOH   A O    1 ? ? 
HETATM 3951 O O    . HOH   F 3 .   ? 26.606 2.338   12.173  1   46.517 ? 319 HOH   A O    1 ? ? 
HETATM 3952 O O    . HOH   F 3 .   ? 6.178  -11.621 -6.656  1   47.937 ? 320 HOH   A O    1 ? ? 
HETATM 3953 O O    . HOH   F 3 .   ? 2.168  -0.578  -0.266  1   42.683 ? 321 HOH   A O    1 ? ? 
HETATM 3954 O O    . HOH   F 3 .   ? 1.294  1.692   8.144   1   59.158 ? 322 HOH   A O    1 ? ? 
HETATM 3955 O O    . HOH   F 3 .   ? 7.699  -0.565  14.461  1   44.345 ? 323 HOH   A O    1 ? ? 
HETATM 3956 O O    . HOH   F 3 .   ? 23.588 -5.462  13.769  1   50.039 ? 324 HOH   A O    1 ? ? 
HETATM 3957 O O    . HOH   F 3 .   ? 13.514 -9.47   -3.585  1   45.954 ? 325 HOH   A O    1 ? ? 
HETATM 3958 O O    . HOH   F 3 .   ? 4.28   -4.514  8.435   1   45.057 ? 326 HOH   A O    1 ? ? 
HETATM 3959 O O    . HOH   F 3 .   ? 8.856  3.672   9.164   1   27.615 ? 327 HOH   A O    1 ? ? 
HETATM 3960 O O    . HOH   F 3 .   ? 6.136  6.159   0.68    1   30.913 ? 328 HOH   A O    1 ? ? 
HETATM 3961 O O    . HOH   F 3 .   ? 8.853  2.293   -1.439  1   30.257 ? 329 HOH   A O    1 ? ? 
HETATM 3962 O O    . HOH   F 3 .   ? 10.369 -3.762  9.505   1   30.2   ? 330 HOH   A O    1 ? ? 
HETATM 3963 O O    . HOH   F 3 .   ? 12.703 -6.548  11.613  1   30.261 ? 331 HOH   A O    1 ? ? 
HETATM 3964 O O    . HOH   F 3 .   ? 18.505 -9.292  10.238  1   33.21  ? 332 HOH   A O    1 ? ? 
HETATM 3965 O O    . HOH   F 3 .   ? 9.638  -1.943  13.015  1   35.048 ? 333 HOH   A O    1 ? ? 
HETATM 3966 O O    . HOH   F 3 .   ? 25.332 9.46    11.688  1   41.776 ? 334 HOH   A O    1 ? ? 
HETATM 3967 O O    . HOH   F 3 .   ? 6.071  -8.523  0.255   1   37.93  ? 335 HOH   A O    1 ? ? 
HETATM 3968 O O    . HOH   F 3 .   ? 16.501 4.069   18.57   1   40.216 ? 336 HOH   A O    1 ? ? 
HETATM 3969 O O    . HOH   F 3 .   ? 9.069  -9.182  0.022   1   42.959 ? 337 HOH   A O    1 ? ? 
HETATM 3970 O O    . HOH   F 3 .   ? 15.879 0.469   -11.669 1   56.09  ? 338 HOH   A O    1 ? ? 
HETATM 3971 O O    . HOH   F 3 .   ? 29.03  1.617   11.842  1   42.567 ? 339 HOH   A O    1 ? ? 
HETATM 3972 O O    . HOH   F 3 .   ? 22.605 -19.874 7.65    1   54.471 ? 340 HOH   A O    1 ? ? 
HETATM 3973 O O    . HOH   F 3 .   ? 27.97  -2.901  13.498  1   41.949 ? 341 HOH   A O    1 ? ? 
HETATM 3974 O O    . HOH   F 3 .   ? 4.098  3.845   -4.662  1   37.805 ? 342 HOH   A O    1 ? ? 
HETATM 3975 O O    . HOH   F 3 .   ? 8.095  10.029  5.942   1   38.811 ? 343 HOH   A O    1 ? ? 
HETATM 3976 O O    . HOH   F 3 .   ? 13.507 6.731   19.541  1   39.097 ? 344 HOH   A O    1 ? ? 
HETATM 3977 O O    . HOH   F 3 .   ? 6.223  -0.953  -9.341  1   39.096 ? 345 HOH   A O    1 ? ? 
HETATM 3978 O O    . HOH   F 3 .   ? 13.004 5.415   22.171  1   37.472 ? 346 HOH   A O    1 ? ? 
HETATM 3979 O O    . HOH   F 3 .   ? 13.829 13.595  -3.76   1   37.698 ? 347 HOH   A O    1 ? ? 
HETATM 3980 O O    . HOH   F 3 .   ? 26.971 5.33    1.519   1   49.094 ? 348 HOH   A O    1 ? ? 
HETATM 3981 O O    . HOH   F 3 .   ? 0.983  1.695   -0      0.5 45.279 ? 349 HOH   A O    1 ? ? 
HETATM 3982 O O    . HOH   F 3 .   ? 29.321 7.680   -1.762  1   42.451 ? 350 HOH   A O    1 ? ? 
HETATM 3983 O O    . HOH   F 3 .   ? 33.339 -10.862 -5.073  1   53.065 ? 351 HOH   A O    1 ? ? 
HETATM 3984 O O    . HOH   F 3 .   ? 34.137 5.391   -5.718  1   47.802 ? 352 HOH   A O    1 ? ? 
HETATM 3985 O O    . HOH   F 3 .   ? 31.383 -12.322 -3.95   1   43.988 ? 353 HOH   A O    1 ? ? 
HETATM 3986 O O    . HOH   F 3 .   ? 15.194 14.634  -1.787  1   49.626 ? 354 HOH   A O    1 ? ? 
HETATM 3987 O O    . HOH   F 3 .   ? 31.511 6.198   -0.284  1   44.313 ? 355 HOH   A O    1 ? ? 
HETATM 3988 O O    . HOH   F 3 .   ? 11.545 -8.332  10.151  1   44.295 ? 356 HOH   A O    1 ? ? 
HETATM 3989 O O    . HOH   F 3 .   ? 2.956  6.398   3.444   1   40.19  ? 357 HOH   A O    1 ? ? 
HETATM 3990 O O    . HOH   F 3 .   ? 2.375  -2.381  10.161  1   49.965 ? 358 HOH   A O    1 ? ? 
HETATM 3991 O O    . HOH   F 3 .   ? 7.708  4.852   -1.493  1   38.765 ? 359 HOH   A O    1 ? ? 
HETATM 3992 O O    . HOH   F 3 .   ? 8.808  11.09   8.55    1   46.515 ? 360 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   ? 0.524791 0.736321 0.644143 0.131285    0.106727    -0.00614454 13  GLY   B N    
2    C CA   . GLY   A 1   ? 0.492967 0.735692 0.628119 0.108644    0.110419    0.00090286  13  GLY   B CA   
3    C C    . GLY   A 1   ? 0.521766 0.732483 0.616107 0.0878009   0.0983515   0.00574122  13  GLY   B C    
4    O O    . GLY   A 1   ? 0.483154 0.654834 0.533688 0.0878685   0.0984754   0.00180524  13  GLY   B O    
5    H H1   . GLY   A 1   ? 0.532323 0.762593 0.677805 0.146172    0.114167    -0.00908881 13  GLY   B H1   
6    H H2   . GLY   A 1   ? 0.516832 0.715137 0.631983 0.131092    0.0893603   -0.00237403 13  GLY   B H2   
7    H H3   . GLY   A 1   ? 0.5393   0.724578 0.626244 0.130771    0.114414    -0.0113983  13  GLY   B H3   
8    H HA2  . GLY   A 1   ? 0.513017 0.768982 0.651173 0.107905    0.130112    -0.00193491 13  GLY   B HA2  
9    H HA3  . GLY   A 1   ? 0.488716 0.759954 0.658612 0.107905    0.101407    0.00536474  13  GLY   B HA3  
10   N N    . ALA   A 2   ? 0.477485 0.705777 0.587907 0.0700606   0.0881476   0.0134111   14  ALA   B N    
11   C CA   . ALA   A 2   ? 0.469386 0.673551 0.54641  0.0514464   0.0851335   0.0176372   14  ALA   B CA   
12   C C    . ALA   A 2   ? 0.39457  0.559061 0.434994 0.0538339   0.0701549   0.0165484   14  ALA   B C    
13   O O    . ALA   A 2   ? 0.422027 0.561708 0.427921 0.0470713   0.0726199   0.0166488   14  ALA   B O    
14   C CB   . ALA   A 2   ? 0.443826 0.666625 0.542033 0.0332415   0.0769644   0.0239673   14  ALA   B CB   
15   H H    . ALA   A 2   ? 0.471868 0.725877 0.61321  0.069853    0.0827004   0.0156471   14  ALA   B H    
16   H HA   . ALA   A 2   ? 0.464626 0.665027 0.527512 0.0489669   0.0998345   0.0168131   14  ALA   B HA   
17   H HB1  . ALA   A 2   ? 0.447308 0.689776 0.561913 0.0273251   0.0890543   0.0252597   14  ALA   B HB1  
18   H HB2  . ALA   A 2   ? 0.437071 0.67146  0.553888 0.0358641   0.0646302   0.0241809   14  ALA   B HB2  
19   H HB3  . ALA   A 2   ? 0.441285 0.643965 0.517421 0.0244443   0.0720662   0.0264157   14  ALA   B HB3  
20   N N    . PRO   A 3   ? 0.394599 0.553294 0.441199 0.0592707   0.052049    0.0177779   15  PRO   B N    
21   C CA   . PRO   A 3   ? 0.409377 0.53204  0.422601 0.0572582   0.0398901   0.0181254   15  PRO   B CA   
22   C C    . PRO   A 3   ? 0.45041  0.543431 0.43363  0.0654796   0.0471754   0.0110685   15  PRO   B C    
23   O O    . PRO   A 3   ? 0.407603 0.477214 0.360576 0.0562932   0.0440712   0.0107122   15  PRO   B O    
24   C CB   . PRO   A 3   ? 0.417108 0.540766 0.443771 0.0643218   0.0223504   0.0217509   15  PRO   B CB   
25   C CG   . PRO   A 3   ? 0.404683 0.569643 0.471226 0.0621827   0.0202961   0.0245444   15  PRO   B CG   
26   C CD   . PRO   A 3   ? 0.425014 0.612375 0.509455 0.0652786   0.0413161   0.0204087   15  PRO   B CD   
27   H HA   . PRO   A 3   ? 0.401101 0.519594 0.404393 0.0453494   0.0371648   0.0211198   15  PRO   B HA   
28   H HB2  . PRO   A 3   ? 0.432048 0.545128 0.457263 0.0771616   0.0222385   0.0194445   15  PRO   B HB2  
29   H HB3  . PRO   A 3   ? 0.411507 0.521084 0.423028 0.0564905   0.0131552   0.0247514   15  PRO   B HB3  
30   H HG2  . PRO   A 3   ? 0.413271 0.58567  0.494086 0.0714188   0.0111104   0.0263752   15  PRO   B HG2  
31   H HG3  . PRO   A 3   ? 0.396326 0.564649 0.460997 0.0492516   0.0154703   0.026971    15  PRO   B HG3  
32   H HD2  . PRO   A 3   ? 0.426468 0.621592 0.524925 0.079774    0.0454711   0.0177269   15  PRO   B HD2  
33   H HD3  . PRO   A 3   ? 0.402506 0.613089 0.506619 0.0561238   0.0431226   0.0223949   15  PRO   B HD3  
34   N N    . ALA   A 4   ? 0.421973 0.517362 0.414687 0.0829059   0.0573456   0.00441439  16  ALA   B N    
35   C CA   . ALA   A 4   ? 0.467376 0.530116 0.427506 0.0905099   0.0654491   -0.00536452 16  ALA   B CA   
36   C C    . ALA   A 4   ? 0.47873  0.538265 0.411415 0.0792304   0.0781157   -0.00804453 16  ALA   B C    
37   O O    . ALA   A 4   ? 0.508225 0.536176 0.402522 0.0756985   0.0766855   -0.014153   16  ALA   B O    
38   C CB   . ALA   A 4   ? 0.527359 0.59523  0.506137 0.113583    0.0769281   -0.0129136  16  ALA   B CB   
39   H H    . ALA   A 4   ? 0.431997 0.549361 0.451784 0.0902013   0.0591383   0.00532167  16  ALA   B H    
40   H HA   . ALA   A 4   ? 0.478109 0.5159   0.420611 0.0876611   0.0543046   -0.00502702 16  ALA   B HA   
41   H HB1  . ALA   A 4   ? 0.514303 0.58219  0.508809 0.121489    0.0665375   -0.00954342 16  ALA   B HB1  
42   H HB2  . ALA   A 4   ? 0.509656 0.605995 0.509414 0.115643    0.0886926   -0.0128977  16  ALA   B HB2  
43   H HB3  . ALA   A 4   ? 0.54332  0.585791 0.497564 0.118841    0.0832486   -0.0212048  16  ALA   B HB3  
44   N N    . THR   A 5   ? 0.437814 0.528623 0.388558 0.07296     0.0899905   -0.00315545 17  THR   B N    
45   C CA   . THR   A 5   ? 0.456931 0.543215 0.37916  0.0624639   0.101624    -0.00225608 17  THR   B CA   
46   C C    . THR   A 5   ? 0.472813 0.540407 0.371516 0.0477945   0.0844476   0.00428921  17  THR   B C    
47   O O    . THR   A 5   ? 0.44492  0.494445 0.308047 0.0418651   0.084717    0.00339509  17  THR   B O    
48   C CB   . THR   A 5   ? 0.494892 0.616316 0.44444  0.0568511   0.117359    0.00415422  17  THR   B CB   
49   O OG1  . THR   A 5   ? 0.521137 0.657764 0.486801 0.0728624   0.136097    -0.0046021  17  THR   B OG1  
50   C CG2  . THR   A 5   ? 0.541585 0.657255 0.46157  0.0438536   0.128285    0.0101201   17  THR   B CG2  
51   H H    . THR   A 5   ? 0.431329 0.545602 0.411567 0.0746112   0.0902444   0.00023362  17  THR   B H    
52   H HA   . THR   A 5   ? 0.496357 0.568135 0.396916 0.0688397   0.110238    -0.010126   17  THR   B HA   
53   H HB   . THR   A 5   ? 0.468171 0.605578 0.444032 0.0524069   0.109503    0.00954422  17  THR   B HB   
55   H HG21 . THR   A 5   ? 0.531352 0.667891 0.468912 0.040851    0.141237    0.0134458   17  THR   B HG21 
56   H HG22 . THR   A 5   ? 0.557838 0.656575 0.447891 0.0475288   0.134035    0.00445285  17  THR   B HG22 
57   H HG23 . THR   A 5   ? 0.519093 0.626475 0.431835 0.0347735   0.116507    0.0165788   17  THR   B HG23 
58   N N    . VAL   A 6   ? 0.427293 0.502598 0.347121 0.0417526   0.0697508   0.0113213   18  VAL   B N    
59   C CA   . VAL   A 6   ? 0.419592 0.482356 0.323406 0.0298514   0.0564696   0.0172476   18  VAL   B CA   
60   C C    . VAL   A 6   ? 0.456592 0.492298 0.335169 0.0307039   0.0459827   0.0113516   18  VAL   B C    
61   O O    . VAL   A 6   ? 0.467984 0.49269  0.323488 0.022469    0.0398828   0.0129283   18  VAL   B O    
62   C CB   . VAL   A 6   ? 0.393632 0.468263 0.320968 0.0229961   0.0462786   0.0241892   18  VAL   B CB   
63   C CG1  . VAL   A 6   ? 0.395715 0.45928  0.308975 0.0139102   0.0360226   0.0290908   18  VAL   B CG1  
64   C CG2  . VAL   A 6   ? 0.393714 0.49184  0.345766 0.0186761   0.0551986   0.0286574   18  VAL   B CG2  
65   H H    . VAL   A 6   ? 0.419422 0.508649 0.363305 0.0452751   0.0681995   0.0122252   18  VAL   B H    
66   H HA   . VAL   A 6   ? 0.430194 0.49276  0.321552 0.0250487   0.0614563   0.0203365   18  VAL   B HA   
67   H HB   . VAL   A 6   ? 0.392947 0.46679  0.329077 0.027358    0.0403883   0.0221414   18  VAL   B HB   
68   H HG11 . VAL   A 6   ? 0.403575 0.463083 0.302411 0.0117652   0.03915     0.0309094   18  VAL   B HG11 
69   H HG12 . VAL   A 6   ? 0.396118 0.449211 0.302049 0.0143255   0.0286342   0.0267257   18  VAL   B HG12 
70   H HG13 . VAL   A 6   ? 0.379011 0.450111 0.305201 0.00981119  0.0338269   0.0328711   18  VAL   B HG13 
71   H HG21 . VAL   A 6   ? 0.376392 0.478234 0.339039 0.0136863   0.0483198   0.0313555   18  VAL   B HG21 
72   H HG22 . VAL   A 6   ? 0.392499 0.502952 0.359423 0.0245402   0.0608364   0.025704    18  VAL   B HG22 
73   H HG23 . VAL   A 6   ? 0.397952 0.49445  0.339935 0.014531    0.0621408   0.0318128   18  VAL   B HG23 
74   N N    . THR   A 7   ? 0.480267 0.504414 0.36319  0.0399628   0.0428765   0.0053444   19  THR   B N    
75   C CA   . THR   A 7   ? 0.505394 0.497631 0.362047 0.0386992   0.034394    -0.00117041 19  THR   B CA   
76   C C    . THR   A 7   ? 0.524693 0.500959 0.346664 0.0370499   0.0410302   -0.00957316 19  THR   B C    
77   O O    . THR   A 7   ? 0.511139 0.471901 0.308866 0.0256953   0.0304301   -0.0108066  19  THR   B O    
78   C CB   . THR   A 7   ? 0.54733  0.523048 0.41055  0.0521663   0.033567    -0.00635157 19  THR   B CB   
79   O OG1  . THR   A 7   ? 0.494858 0.486213 0.383638 0.050527    0.0244444   0.00341016  19  THR   B OG1  
80   C CG2  . THR   A 7   ? 0.603981 0.539058 0.437958 0.0499428   0.0265545   -0.0141237  19  THR   B CG2  
81   H H    . THR   A 7   ? 0.469627 0.504932 0.37234  0.04672     0.0453013   0.00574206  19  THR   B H    
82   H HA   . THR   A 7   ? 0.496365 0.486536 0.351863 0.0295453   0.0244835   0.00339148  19  THR   B HA   
83   H HB   . THR   A 7   ? 0.549676 0.532439 0.420425 0.0632102   0.0442341   -0.0105594  19  THR   B HB   
85   H HG21 . THR   A 7   ? 0.605176 0.528903 0.44616  0.0572816   0.0234345   -0.0136447  19  THR   B HG21 
86   H HG22 . THR   A 7   ? 0.591557 0.523079 0.417313 0.0370932   0.0178339   -0.0108267  19  THR   B HG22 
87   H HG23 . THR   A 7   ? 0.621971 0.54509  0.43792  0.0535773   0.0339026   -0.0228802  19  THR   B HG23 
88   N N    . GLU   A 8   ? 0.507973 0.491217 0.32833  0.0474518   0.0586387   -0.0151174  20  GLU   B N    
89   C CA   . GLU   A 8   ? 0.570916 0.535517 0.351475 0.0478992   0.0682306   -0.0254231  20  GLU   B CA   
90   C C    . GLU   A 8   ? 0.611797 0.582799 0.369804 0.0341556   0.0647928   -0.0177399  20  GLU   B C    
91   O O    . GLU   A 8   ? 0.608988 0.558308 0.325314 0.0280494   0.0605216   -0.0245055  20  GLU   B O    
92   C CB   . GLU   A 8   ? 0.608361 0.582285 0.39348  0.0632024   0.0925713   -0.0332076  20  GLU   B CB   
93   H H    . GLU   A 8   ? 0.507264 0.50818  0.351285 0.0539406   0.0652819   -0.0127385  20  GLU   B H    
94   H HA   . GLU   A 8   ? 0.598403 0.537884 0.360281 0.0472043   0.0614898   -0.0329997  20  GLU   B HA   
97   N N    . GLN   A 9   ? 0.550113 0.548236 0.331685 0.0301157   0.0676906   -0.00433749 21  GLN   B N    
98   C CA   . GLN   A 9   ? 0.54946  0.551738 0.309014 0.0217547   0.0700423   0.00443078  21  GLN   B CA   
99   C C    . GLN   A 9   ? 0.506171 0.519072 0.281395 0.0125692   0.055063    0.0187802   21  GLN   B C    
100  O O    . GLN   A 9   ? 0.567814 0.5809   0.32451  0.00704158  0.0540708   0.0285791   21  GLN   B O    
101  C CB   . GLN   A 9   ? 0.579935 0.599771 0.347275 0.0252252   0.0931411   0.00814792  21  GLN   B CB   
102  C CG   . GLN   A 9   ? 0.608902 0.622514 0.361274 0.0363993   0.113269    -0.00619278 21  GLN   B CG   
103  C CD   . GLN   A 9   ? 0.655126 0.694576 0.42656  0.0391954   0.138597    -0.00223499 21  GLN   B CD   
104  O OE1  . GLN   A 9   ? 0.609431 0.665414 0.394535 0.0295641   0.141911    0.0118657   21  GLN   B OE1  
105  N NE2  . GLN   A 9   ? 0.72834  0.770235 0.501187 0.0524437   0.158127    -0.0152729  21  GLN   B NE2  
106  H H    . GLN   A 9   ? 0.528816 0.540817 0.3389   0.0325849   0.0679249   -0.00052754 21  GLN   B H    
107  H HA   . GLN   A 9   ? 0.583484 0.569319 0.310269 0.0193956   0.067111    -0.00086329 21  GLN   B HA   
108  H HB2  . GLN   A 9   ? 0.545202 0.581901 0.345483 0.0260403   0.0947064   0.0126704   21  GLN   B HB2  
109  H HB3  . GLN   A 9   ? 0.583555 0.602626 0.333555 0.0189437   0.0941158   0.0159388   21  GLN   B HB3  
110  H HG2  . GLN   A 9   ? 0.652454 0.647731 0.367186 0.0343374   0.113004    -0.0112989  21  GLN   B HG2  
111  H HG3  . GLN   A 9   ? 0.613928 0.623882 0.380781 0.0440514   0.110521    -0.0136935  21  GLN   B HG3  
112  H HE21 . GLN   A 9   ? 0.705201 0.768613 0.503763 0.0561855   0.171565    -0.0140711  21  GLN   B HE21 
113  H HE22 . GLN   A 9   ? 0.73661  0.758856 0.485719 0.0577542   0.158088    -0.0256089  21  GLN   B HE22 
114  N N    . GLY   A 10  ? 0.461741 0.48337  0.270181 0.0124077   0.046139    0.0210169   22  GLY   B N    
115  C CA   . GLY   A 10  ? 0.426582 0.458501 0.251185 0.0060723   0.0368428   0.0329607   22  GLY   B CA   
116  C C    . GLY   A 10  ? 0.44478  0.469766 0.253575 -6.424e-05  0.0196492   0.0357772   22  GLY   B C    
117  O O    . GLY   A 10  ? 0.453676 0.465666 0.242946 -0.0027149  0.0113701   0.027509    22  GLY   B O    
118  H H    . GLY   A 10  ? 0.456829 0.47662  0.275901 0.0166707   0.0460909   0.0153843   22  GLY   B H    
119  H HA2  . GLY   A 10  ? 0.434932 0.472146 0.2595   0.0051232   0.0441217   0.0393873   22  GLY   B HA2  
120  H HA3  . GLY   A 10  ? 0.409654 0.448487 0.257131 0.00677908  0.034913    0.0330391   22  GLY   B HA3  
121  N N    . GLU   A 11  ? 0.451299 0.485222 0.270025 -0.00232581 0.014702    0.0478827   23  GLU   B N    
122  C CA   . GLU   A 11  ? 0.456677 0.493612 0.272256 -0.00604606 -0.00185118 0.0539901   23  GLU   B CA   
123  C C    . GLU   A 11  ? 0.428437 0.474948 0.273421 -0.00810844 -0.00888065 0.0520117   23  GLU   B C    
124  O O    . GLU   A 11  ? 0.409577 0.461643 0.27761  -0.00560177 -0.00133076 0.0528773   23  GLU   B O    
125  C CB   . GLU   A 11  ? 0.450548 0.49132  0.26957  -0.00343325 -0.0006475  0.0686359   23  GLU   B CB   
126  C CG   . GLU   A 11  ? 0.518303 0.568697 0.347125 -0.00303332 -0.017741   0.0772944   23  GLU   B CG   
127  C CD   . GLU   A 11  ? 0.635455 0.683904 0.463606 0.00265144  -0.019241   0.0936894   23  GLU   B CD   
128  O OE1  . GLU   A 11  ? 0.738992 0.77629  0.561493 0.00414852  -0.00577062 0.0998332   23  GLU   B OE1  
129  O OE2  . GLU   A 11  ? 0.638349 0.696964 0.472523 0.00516582  -0.0354782  0.10107     23  GLU   B OE2  
130  H H    . GLU   A 11  ? 0.438776 0.477538 0.268778 -0.00103629 0.0222044   0.0524965   23  GLU   B H    
131  H HA   . GLU   A 11  ? 0.476208 0.506205 0.269467 -0.00883922 -0.00816494 0.0502967   23  GLU   B HA   
132  H HB2  . GLU   A 11  ? 0.489345 0.522892 0.285914 -0.0034085  0.00385117  0.071488    23  GLU   B HB2  
133  H HB3  . GLU   A 11  ? 0.450193 0.493799 0.287617 -0.00182608 0.00735761  0.0700034   23  GLU   B HB3  
134  H HG2  . GLU   A 11  ? 0.499234 0.557866 0.35143  -0.00301041 -0.0190309  0.0747939   23  GLU   B HG2  
135  H HG3  . GLU   A 11  ? 0.536765 0.586933 0.350164 -0.00651139 -0.0277892  0.0747463   23  GLU   B HG3  
136  N N    . ASP   A 12  ? 0.416971 0.466388 0.260418 -0.0141288  -0.0227095  0.0500315   24  ASP   B N    
137  C CA   . ASP   A 12  ? 0.37569  0.436537 0.246611 -0.0180336  -0.0271489  0.049668    24  ASP   B CA   
138  C C    . ASP   A 12  ? 0.360347 0.44001  0.254048 -0.0144289  -0.0309729  0.060294    24  ASP   B C    
139  O O    . ASP   A 12  ? 0.403277 0.492659 0.294521 -0.0148211  -0.0432998  0.06681     24  ASP   B O    
140  C CB   . ASP   A 12  ? 0.4394   0.496917 0.301535 -0.0287891  -0.0395528  0.0435529   24  ASP   B CB   
141  C CG   . ASP   A 12  ? 0.433325 0.502574 0.320902 -0.0364528  -0.0425838  0.0438183   24  ASP   B CG   
142  O OD1  . ASP   A 12  ? 0.347881 0.429358 0.258543 -0.0316827  -0.0349386  0.0484556   24  ASP   B OD1  
143  O OD2  . ASP   A 12  ? 0.440205 0.505685 0.323033 -0.0485862  -0.0518816  0.0392712   24  ASP   B OD2  
144  H H    . ASP   A 12  ? 0.437387 0.482246 0.261947 -0.0170929  -0.0294151  0.0487883   24  ASP   B H    
145  H HA   . ASP   A 12  ? 0.37455  0.43238  0.253737 -0.0161793  -0.0195051  0.0468214   24  ASP   B HA   
146  H HB2  . ASP   A 12  ? 0.442567 0.483526 0.287666 -0.0295534  -0.0366929  0.0362447   24  ASP   B HB2  
147  H HB3  . ASP   A 12  ? 0.443224 0.505762 0.297213 -0.0312117  -0.048862   0.0462992   24  ASP   B HB3  
148  N N    . ILE   A 13  ? 0.345735 0.429447 0.260259 -0.00942571 -0.021032   0.0622795   25  ILE   B N    
149  C CA   . ILE   A 13  ? 0.33665  0.432947 0.272251 -0.00282878 -0.0218639  0.0709061   25  ILE   B CA   
150  C C    . ILE   A 13  ? 0.395908 0.510493 0.358393 -0.00511409 -0.0225246  0.0692005   25  ILE   B C    
151  O O    . ILE   A 13  ? 0.379707 0.503545 0.363345 0.00285464  -0.0181735  0.0735099   25  ILE   B O    
152  C CB   . ILE   A 13  ? 0.355977 0.440884 0.294358 0.00365169  -0.00940889 0.0733941   25  ILE   B CB   
153  C CG1  . ILE   A 13  ? 0.368243 0.448011 0.311297 0.00021445  0.00051475  0.0644408   25  ILE   B CG1  
154  C CG2  . ILE   A 13  ? 0.406663 0.477618 0.321124 0.00509435  -0.00740066 0.0790737   25  ILE   B CG2  
155  C CD1  . ILE   A 13  ? 0.372672 0.443764 0.32353  0.00365468  0.0104564   0.065568    25  ILE   B CD1  
156  H H    . ILE   A 13  ? 0.336467 0.414391 0.251773 -0.00966327 -0.0142023  0.0579039   25  ILE   B H    
157  H HA   . ILE   A 13  ? 0.366888 0.466642 0.296864 -0.00112638 -0.0299827  0.0766768   25  ILE   B HA   
158  H HB   . ILE   A 13  ? 0.361928 0.451587 0.31437  0.00892542  -0.00921924 0.0778966   25  ILE   B HB   
159  H HG12 . ILE   A 13  ? 0.364466 0.43875  0.295741 -0.00246529 0.0013583   0.060901    25  ILE   B HG12 
160  H HG13 . ILE   A 13  ? 0.355033 0.441852 0.307033 -0.00209399 -0.00063203 0.061345    25  ILE   B HG13 
161  H HG21 . ILE   A 13  ? 0.398599 0.462584 0.317137 0.00775101  -0.00031727 0.0822861   25  ILE   B HG21 
162  H HG22 . ILE   A 13  ? 0.398707 0.465077 0.301042 0.00140911  -0.0045761  0.0735199   25  ILE   B HG22 
163  H HG23 . ILE   A 13  ? 0.411066 0.484407 0.317852 0.00671605  -0.0157212  0.0851394   25  ILE   B HG23 
164  H HD11 . ILE   A 13  ? 0.373747 0.446642 0.334468 0.00829011  0.0103614   0.0691476   25  ILE   B HD11 
165  H HD12 . ILE   A 13  ? 0.363029 0.433431 0.317358 0.00077434  0.0142896   0.0596331   25  ILE   B HD12 
166  H HD13 . ILE   A 13  ? 0.379453 0.443068 0.321423 0.00366332  0.0130931   0.0685575   25  ILE   B HD13 
167  N N    . THR   A 14  ? 0.350152 0.46785  0.311323 -0.0157213  -0.0260989  0.0631321   26  THR   B N    
168  C CA   . THR   A 14  ? 0.354144 0.491445 0.339447 -0.021389   -0.0253467  0.0627058   26  THR   B CA   
169  C C    . THR   A 14  ? 0.347856 0.512335 0.353557 -0.0225265  -0.0379586  0.0689104   26  THR   B C    
170  O O    . THR   A 14  ? 0.368856 0.532327 0.360245 -0.0262819  -0.0521923  0.0705449   26  THR   B O    
171  C CB   . THR   A 14  ? 0.373194 0.5007   0.348864 -0.0343157  -0.0241251  0.0563872   26  THR   B CB   
172  O OG1  . THR   A 14  ? 0.372644 0.49219  0.331804 -0.0437677  -0.0364602  0.0537294   26  THR   B OG1  
173  C CG2  . THR   A 14  ? 0.381286 0.488171 0.343045 -0.0307112  -0.0138027  0.0522235   26  THR   B CG2  
174  H H    . THR   A 14  ? 0.368925 0.474996 0.313185 -0.0198505  -0.0280132  0.0592354   26  THR   B H    
175  H HA   . THR   A 14  ? 0.344496 0.484425 0.340878 -0.0157591  -0.0164216  0.0630469   26  THR   B HA   
176  H HB   . THR   A 14  ? 0.365743 0.507457 0.357885 -0.03861    -0.0213412  0.0573861   26  THR   B HB   
178  H HG21 . THR   A 14  ? 0.382159 0.480081 0.335983 -0.0373482  -0.0141953  0.0497421   26  THR   B HG21 
179  H HG22 . THR   A 14  ? 0.378893 0.475781 0.329347 -0.0257863  -0.0142292  0.0514862   26  THR   B HG22 
180  H HG23 . THR   A 14  ? 0.369316 0.481873 0.341222 -0.02687    -0.00654913 0.0528883   26  THR   B HG23 
181  N N    . SER   A 15  ? 0.354303 0.545261 0.393482 -0.0207321  -0.0329948  0.0713646   27  SER   B N    
182  C CA   . SER   A 15  ? 0.3631   0.589059 0.431453 -0.0227441  -0.045657   0.077342    27  SER   B CA   
183  C C    . SER   A 15  ? 0.354201 0.586315 0.41805  -0.0437699  -0.0572905  0.0735268   27  SER   B C    
184  O O    . SER   A 15  ? 0.358973 0.609073 0.429097 -0.049332   -0.0759722  0.0769484   27  SER   B O    
185  C CB   . SER   A 15  ? 0.416016 0.67282  0.526362 -0.014092   -0.0343859  0.0801115   27  SER   B CB   
186  O OG   . SER   A 15  ? 0.47274  0.716093 0.583139 0.00564626  -0.0252199  0.0826679   27  SER   B OG   
187  H H    . SER   A 15  ? 0.344459 0.53322  0.389063 -0.0181866  -0.0214274  0.0690226   27  SER   B H    
188  H HA   . SER   A 15  ? 0.377032 0.602736 0.440485 -0.0156615  -0.0552547  0.0825491   27  SER   B HA   
189  H HB2  . SER   A 15  ? 0.408004 0.66486  0.520562 -0.0213269  -0.0235729  0.0754804   27  SER   B HB2  
190  H HB3  . SER   A 15  ? 0.416262 0.700526 0.550152 -0.0148099  -0.0439175  0.0846869   27  SER   B HB3  
192  N N    . LYS   A 16  ? 0.342491 0.558019 0.394432 -0.055828   -0.0475057  0.0670299   28  LYS   B N    
193  C CA   . LYS   A 16  ? 0.395103 0.607911 0.440772 -0.0775934  -0.0560078  0.0631575   28  LYS   B CA   
194  C C    . LYS   A 16  ? 0.405997 0.584917 0.410945 -0.0828582  -0.068263   0.057066    28  LYS   B C    
195  O O    . LYS   A 16  ? 0.393211 0.567997 0.390887 -0.100906   -0.0799267  0.0529394   28  LYS   B O    
196  C CB   . LYS   A 16  ? 0.431146 0.629241 0.471554 -0.0880981  -0.0409781  0.0602517   28  LYS   B CB   
197  C CG   . LYS   A 16  ? 0.532778 0.76379  0.608834 -0.0891033  -0.0261121  0.064303    28  LYS   B CG   
198  C CD   . LYS   A 16  ? 0.599615 0.810263 0.659811 -0.0998967  -0.0111922  0.0630588   28  LYS   B CD   
199  C CE   . LYS   A 16  ? 0.721933 0.963569 0.811173 -0.101532   0.00683018  0.0661017   28  LYS   B CE   
200  N NZ   . LYS   A 16  ? 0.819071 1.0383   0.885881 -0.115502   0.0192977   0.0669821   28  LYS   B NZ   
201  H H    . LYS   A 16  ? 0.346023 0.549561 0.392355 -0.050835   -0.0355918  0.0652429   28  LYS   B H    
202  H HA   . LYS   A 16  ? 0.393736 0.634812 0.463631 -0.0836462  -0.0638684  0.0662413   28  LYS   B HA   
203  H HB2  . LYS   A 16  ? 0.44121  0.616004 0.461851 -0.0804121  -0.0342133  0.0580667   28  LYS   B HB2  
204  H HB3  . LYS   A 16  ? 0.459044 0.646669 0.489603 -0.102531   -0.0472003  0.0578066   28  LYS   B HB3  
205  H HG2  . LYS   A 16  ? 0.519093 0.777078 0.619143 -0.0975541  -0.0323537  0.0667066   28  LYS   B HG2  
206  H HG3  . LYS   A 16  ? 0.504498 0.743406 0.589764 -0.074169   -0.0198186  0.0656035   28  LYS   B HG3  
207  H HD2  . LYS   A 16  ? 0.609566 0.795918 0.647549 -0.0913521  -0.00718242 0.0609153   28  LYS   B HD2  
208  H HD3  . LYS   A 16  ? 0.627586 0.826705 0.678102 -0.114698   -0.0173317  0.062448    28  LYS   B HD3  
209  H HE2  . LYS   A 16  ? 0.707649 0.979077 0.824884 -0.108494   0.00335955  0.068548    28  LYS   B HE2  
210  H HE3  . LYS   A 16  ? 0.696725 0.943401 0.791262 -0.0864905  0.0143169   0.0652609   28  LYS   B HE3  
211  H HZ1  . LYS   A 16  ? 0.803049 1.01505  0.865207 -0.129927   0.012919    0.0681634   28  LYS   B HZ1  
212  H HZ2  . LYS   A 16  ? 0.791686 0.985335 0.833995 -0.108692   0.0206068   0.0651539   28  LYS   B HZ2  
213  H HZ3  . LYS   A 16  ? 0.792431 1.02987  0.873656 -0.116747   0.0321171   0.0684765   28  LYS   B HZ3  
214  N N    . LYS   A 17  ? 0.392448 0.550204 0.372761 -0.068398   -0.0663316  0.056238    29  LYS   B N    
215  C CA   . LYS   A 17  ? 0.411124 0.535926 0.351011 -0.0708115  -0.0724732  0.0489244   29  LYS   B CA   
216  C C    . LYS   A 17  ? 0.451544 0.546261 0.373799 -0.081944   -0.0675687  0.0406402   29  LYS   B C    
217  O O    . LYS   A 17  ? 0.46135  0.534966 0.360732 -0.0939923  -0.0769815  0.032966    29  LYS   B O    
218  C CB   . LYS   A 17  ? 0.45181  0.58612  0.381265 -0.0767687  -0.0926614  0.0494334   29  LYS   B CB   
219  C CG   . LYS   A 17  ? 0.466405 0.622711 0.407009 -0.0618289  -0.09794    0.0604832   29  LYS   B CG   
220  C CD   . LYS   A 17  ? 0.543368 0.67595  0.456245 -0.0468961  -0.0882744  0.0621005   29  LYS   B CD   
221  C CE   . LYS   A 17  ? 0.647925 0.793675 0.564931 -0.033171   -0.0943959  0.0754069   29  LYS   B CE   
222  N NZ   . LYS   A 17  ? 0.707887 0.860874 0.654297 -0.01979    -0.0789388  0.0813838   29  LYS   B NZ   
223  H H    . LYS   A 17  ? 0.381665 0.544903 0.370251 -0.0567234  -0.0596557  0.0599419   29  LYS   B H    
224  H HA   . LYS   A 17  ? 0.415025 0.529582 0.344529 -0.059223   -0.0655442  0.0496263   29  LYS   B HA   
225  H HB2  . LYS   A 17  ? 0.458248 0.60717  0.401963 -0.0893102  -0.1012     0.0490448   29  LYS   B HB2  
226  H HB3  . LYS   A 17  ? 0.472197 0.58227  0.371277 -0.0787433  -0.0948204  0.0429243   29  LYS   B HB3  
227  H HG2  . LYS   A 17  ? 0.457747 0.634495 0.428277 -0.056781   -0.0927754  0.0658872   29  LYS   B HG2  
228  H HG3  . LYS   A 17  ? 0.49396  0.661415 0.431918 -0.0674955  -0.113551   0.0620903   29  LYS   B HG3  
229  H HD2  . LYS   A 17  ? 0.563641 0.676279 0.447016 -0.0512718  -0.0905304  0.0556788   29  LYS   B HD2  
230  H HD3  . LYS   A 17  ? 0.527643 0.652659 0.44649  -0.0419375  -0.0744588  0.0606644   29  LYS   B HD3  
231  H HE2  . LYS   A 17  ? 0.650387 0.815907 0.578722 -0.0362023  -0.108841   0.0798525   29  LYS   B HE2  
232  H HE3  . LYS   A 17  ? 0.658049 0.786337 0.546541 -0.030303   -0.0936257  0.0755255   29  LYS   B HE3  
233  H HZ1  . LYS   A 17  ? 0.664511 0.831477 0.633965 -0.0226703  -0.0766427  0.0797857   29  LYS   B HZ1  
234  H HZ2  . LYS   A 17  ? 0.672569 0.808289 0.607418 -0.0172723  -0.0676133  0.0780703   29  LYS   B HZ2  
235  H HZ3  . LYS   A 17  ? 0.683681 0.843626 0.635982 -0.0113879  -0.0829683  0.089839    29  LYS   B HZ3  
236  N N    . ASP   A 18  ? 0.44234  0.531625 0.372518 -0.0773174  -0.053263   0.0423223   30  ASP   B N    
237  C CA   . ASP   A 18  ? 0.412792 0.471298 0.326113 -0.0837274  -0.0483107  0.0380265   30  ASP   B CA   
238  C C    . ASP   A 18  ? 0.440476 0.473412 0.333227 -0.0683726  -0.0405983  0.0343172   30  ASP   B C    
239  O O    . ASP   A 18  ? 0.504376 0.516429 0.389123 -0.0678206  -0.0354459  0.033892    30  ASP   B O    
240  C CB   . ASP   A 18  ? 0.430279 0.500838 0.363286 -0.0910202  -0.0393566  0.0439688   30  ASP   B CB   
241  C CG   . ASP   A 18  ? 0.428593 0.518145 0.378108 -0.0777975  -0.0271162  0.0485926   30  ASP   B CG   
242  O OD1  . ASP   A 18  ? 0.367381 0.453062 0.310785 -0.063114   -0.0250289  0.0473192   30  ASP   B OD1  
243  O OD2  . ASP   A 18  ? 0.357262 0.463875 0.324028 -0.0835153  -0.0188289  0.0526716   30  ASP   B OD2  
244  H H    . ASP   A 18  ? 0.412161 0.515639 0.357042 -0.0694439  -0.0469009  0.0465438   30  ASP   B H    
245  H HA   . ASP   A 18  ? 0.452918 0.498923 0.355018 -0.0943699  -0.0560603  0.0338348   30  ASP   B HA   
246  H HB2  . ASP   A 18  ? 0.442904 0.490368 0.362006 -0.0950226  -0.0370894  0.0429108   30  ASP   B HB2  
247  H HB3  . ASP   A 18  ? 0.432654 0.520642 0.38066  -0.102219   -0.0435938  0.0458023   30  ASP   B HB3  
248  N N    . ARG   A 19  ? 0.439479 0.477919 0.327677 -0.055556   -0.0389728  0.0338068   31  ARG   B N    
249  C CA   . ARG   A 19  ? 0.451253 0.474856 0.328042 -0.0417678  -0.0300937  0.0308988   31  ARG   B CA   
250  C C    . ARG   A 19  ? 0.425091 0.45176  0.315129 -0.0363066  -0.0216563  0.0346058   31  ARG   B C    
251  O O    . ARG   A 19  ? 0.4338   0.449386 0.318449 -0.0270709  -0.0167827  0.032294    31  ARG   B O    
252  C CB   . ARG   A 19  ? 0.473412 0.465193 0.323714 -0.0405828  -0.030984   0.021543    31  ARG   B CB   
253  C CG   . ARG   A 19  ? 0.515186 0.501559 0.344059 -0.0456409  -0.038861   0.0156952   31  ARG   B CG   
254  C CD   . ARG   A 19  ? 0.57909  0.529771 0.37636  -0.0441567  -0.0380219  0.00309467  31  ARG   B CD   
255  N NE   . ARG   A 19  ? 0.571197 0.510256 0.367067 -0.0273028  -0.0246888  -6.975e-05  31  ARG   B NE   
256  C CZ   . ARG   A 19  ? 0.585712 0.53191  0.377628 -0.0145024  -0.0137588  -0.00167128 31  ARG   B CZ   
257  N NH1  . ARG   A 19  ? 0.542533 0.502015 0.323822 -0.0164902  -0.0143619  0.00050332  31  ARG   B NH1  
258  N NH2  . ARG   A 19  ? 0.567104 0.50676  0.365537 7.168e-05   -0.00252116 -0.00478315 31  ARG   B NH2  
259  H H    . ARG   A 19  ? 0.438387 0.491392 0.331784 -0.055825   -0.0435955  0.0360723   31  ARG   B H    
260  H HA   . ARG   A 19  ? 0.440086 0.472461 0.316884 -0.0358998  -0.0286923  0.0323793   31  ARG   B HA   
261  H HB2  . ARG   A 19  ? 0.489883 0.468273 0.33778  -0.0468121  -0.0332454  0.0205762   31  ARG   B HB2  
262  H HB3  . ARG   A 19  ? 0.476062 0.463208 0.324432 -0.0303214  -0.0241297  0.0201112   31  ARG   B HB3  
263  H HG2  . ARG   A 19  ? 0.508576 0.507021 0.337851 -0.0395928  -0.036451   0.0184591   31  ARG   B HG2  
264  H HG3  . ARG   A 19  ? 0.519176 0.514035 0.353476 -0.0564589  -0.0474213  0.0175001   31  ARG   B HG3  
265  H HD2  . ARG   A 19  ? 0.588098 0.53739  0.368568 -0.0461132  -0.0416705  -0.00069824 31  ARG   B HD2  
266  H HD3  . ARG   A 19  ? 0.586829 0.5226   0.380371 -0.0532065  -0.0432256  0.00039979  31  ARG   B HD3  
267  H HE   . ARG   A 19  ? 0.579414 0.506907 0.378926 -0.025582   -0.0236257  -0.00037483 31  ARG   B HE   
268  H HH11 . ARG   A 19  ? 0.541468 0.51643  0.332424 -0.0214367  -0.0199125  0.0073116   31  ARG   B HH11 
269  H HH12 . ARG   A 19  ? 0.574122 0.526232 0.338015 -0.0123     -0.0088965  -0.00445803 31  ARG   B HH12 
270  H HH21 . ARG   A 19  ? 0.576755 0.504959 0.379439 0.00224559  -0.00373647 -0.00547704 31  ARG   B HH21 
271  H HH22 . ARG   A 19  ? 0.570656 0.518529 0.370049 0.00736596  0.00579996  -0.00547419 31  ARG   B HH22 
272  N N    . GLY   A 20  ? 0.428473 0.473832 0.336944 -0.0408548  -0.0196002  0.0400933   32  GLY   B N    
273  C CA   . GLY   A 20  ? 0.402041 0.448884 0.316558 -0.0377645  -0.0123869  0.0424952   32  GLY   B CA   
274  C C    . GLY   A 20  ? 0.400412 0.453669 0.320265 -0.026653   -0.00673839 0.0419875   32  GLY   B C    
275  O O    . GLY   A 20  ? 0.374905 0.425399 0.294515 -0.0237686  -0.0037332  0.0417953   32  GLY   B O    
276  H H    . GLY   A 20  ? 0.418273 0.476485 0.335322 -0.0456411  -0.022672   0.0420156   32  GLY   B H    
277  H HA2  . GLY   A 20  ? 0.419631 0.450949 0.324178 -0.0389116  -0.013439   0.041883    32  GLY   B HA2  
278  H HA3  . GLY   A 20  ? 0.403117 0.461406 0.327396 -0.0428559  -0.0102427  0.0451532   32  GLY   B HA3  
279  N N    . VAL   A 21  ? 0.355508 0.418402 0.280757 -0.0221983  -0.00595243 0.0429379   33  VAL   B N    
280  C CA   . VAL   A 21  ? 0.303327 0.369618 0.233402 -0.0149219  -3.913e-05  0.0434715   33  VAL   B CA   
281  C C    . VAL   A 21  ? 0.393289 0.456001 0.31283  -0.0114191  -0.0008637  0.0438923   33  VAL   B C    
282  O O    . VAL   A 21  ? 0.338872 0.406148 0.255789 -0.012707   -0.00602227 0.0473533   33  VAL   B O    
283  C CB   . VAL   A 21  ? 0.349945 0.426807 0.294589 -0.0131986  0.00455461  0.0464958   33  VAL   B CB   
284  C CG1  . VAL   A 21  ? 0.345729 0.419352 0.293636 -0.00899096 0.0109414   0.0463648   33  VAL   B CG1  
285  C CG2  . VAL   A 21  ? 0.346448 0.427774 0.297089 -0.0175488  0.00764554  0.0450627   33  VAL   B CG2  
286  H H    . VAL   A 21  ? 0.358336 0.425165 0.283574 -0.02484    -0.0100198  0.0439865   33  VAL   B H    
287  H HA   . VAL   A 21  ? 0.334066 0.396273 0.263055 -0.0134264  0.00187915  0.0414179   33  VAL   B HA   
288  H HB   . VAL   A 21  ? 0.34032  0.42286  0.288228 -0.0124063  0.00174119  0.0497006   33  VAL   B HB   
289  H HG11 . VAL   A 21  ? 0.344911 0.415898 0.291081 -0.0101299  0.0118662   0.0432425   33  VAL   B HG11 
290  H HG12 . VAL   A 21  ? 0.350662 0.422469 0.29463  -0.0069195  0.0109253   0.0487622   33  VAL   B HG12 
291  H HG13 . VAL   A 21  ? 0.345431 0.420923 0.300766 -0.00777098 0.0141263   0.0470757   33  VAL   B HG13 
292  H HG21 . VAL   A 21  ? 0.344569 0.430244 0.303305 -0.0149042  0.012387    0.0451575   33  VAL   B HG21 
293  H HG22 . VAL   A 21  ? 0.349168 0.435017 0.301429 -0.021705   0.00484264  0.0463633   33  VAL   B HG22 
294  H HG23 . VAL   A 21  ? 0.348319 0.42312  0.292185 -0.0190354  0.00796109  0.0428485   33  VAL   B HG23 
295  N N    . LEU   A 22  ? 0.345437 0.402059 0.259149 -0.00710847 0.00394594  0.0406258   34  LEU   B N    
296  C CA   . LEU   A 22  ? 0.409685 0.462194 0.309505 -0.00383506 0.00763196  0.0400736   34  LEU   B CA   
297  C C    . LEU   A 22  ? 0.403078 0.462478 0.312119 -0.001433   0.0173575   0.043511    34  LEU   B C    
298  O O    . LEU   A 22  ? 0.363673 0.429097 0.288079 -0.00105197 0.0209347   0.0417555   34  LEU   B O    
299  C CB   . LEU   A 22  ? 0.371033 0.411423 0.258705 -0.00037339 0.00864838  0.0323193   34  LEU   B CB   
300  C CG   . LEU   A 22  ? 0.431557 0.457386 0.305251 -0.0055677  -0.00078736 0.0282284   34  LEU   B CG   
301  C CD1  . LEU   A 22  ? 0.472173 0.480883 0.336883 0.0017676   0.00302039  0.0202959   34  LEU   B CD1  
302  C CD2  . LEU   A 22  ? 0.440249 0.46214  0.294119 -0.0109485  -0.00715155 0.0276762   34  LEU   B CD2  
303  H H    . LEU   A 22  ? 0.362908 0.419161 0.281537 -0.00600838 0.00540942  0.038804    34  LEU   B H    
304  H HA   . LEU   A 22  ? 0.395685 0.447802 0.287534 -0.00587353 0.00323424  0.0425522   34  LEU   B HA   
305  H HB2  . LEU   A 22  ? 0.385769 0.428516 0.284044 0.00261756  0.0108536   0.0311336   34  LEU   B HB2  
306  H HB3  . LEU   A 22  ? 0.404473 0.442984 0.282483 0.00253601  0.0140748   0.0308623   34  LEU   B HB3  
307  H HG   . LEU   A 22  ? 0.414633 0.443524 0.297581 -0.00980407 -0.00487801 0.0306862   34  LEU   B HG   
308  H HD11 . LEU   A 22  ? 0.454919 0.467194 0.332493 0.00527813  0.00413102  0.0217257   34  LEU   B HD11 
309  H HD12 . LEU   A 22  ? 0.480809 0.474631 0.333546 -0.00197742 -0.00230797 0.0167561   34  LEU   B HD12 
310  H HD13 . LEU   A 22  ? 0.473728 0.482355 0.331671 0.00679262  0.00974785  0.0174493   34  LEU   B HD13 
311  H HD21 . LEU   A 22  ? 0.433242 0.466989 0.294688 -0.0127451  -0.00952563 0.0337782   34  LEU   B HD21 
312  H HD22 . LEU   A 22  ? 0.457772 0.473636 0.297398 -0.00717966 -0.00226664 0.0244996   34  LEU   B HD22 
313  H HD23 . LEU   A 22  ? 0.453584 0.466822 0.300856 -0.0165992  -0.0139643  0.0244944   34  LEU   B HD23 
314  N N    . LYS   A 23  ? 0.351371 0.408956 0.249044 -0.00133545 0.0207718   0.0491962   35  LYS   B N    
315  C CA   . LYS   A 23  ? 0.34887  0.40872  0.252888 -0.00218259 0.0305614   0.054888    35  LYS   B CA   
316  C C    . LYS   A 23  ? 0.346    0.403059 0.232429 -0.00181491 0.0410305   0.0570688   35  LYS   B C    
317  O O    . LYS   A 23  ? 0.416856 0.465996 0.277229 -0.0008626  0.0381271   0.058269    35  LYS   B O    
318  C CB   . LYS   A 23  ? 0.372195 0.428039 0.278759 -0.00256334 0.0265479   0.0641134   35  LYS   B CB   
319  C CG   . LYS   A 23  ? 0.381844 0.431538 0.293974 -0.00497058 0.035732    0.0713631   35  LYS   B CG   
320  C CD   . LYS   A 23  ? 0.40922  0.448071 0.321757 -0.00183782 0.0322748   0.0816927   35  LYS   B CD   
321  C CE   . LYS   A 23  ? 0.393883 0.419405 0.311612 -0.00616677 0.0422084   0.0872527   35  LYS   B CE   
322  N NZ   . LYS   A 23  ? 0.415469 0.423798 0.328781 -0.00035236 0.0393399   0.0995409   35  LYS   B NZ   
323  H H    . LYS   A 23  ? 0.376353 0.429847 0.260247 -0.00172627 0.0162137   0.050003    35  LYS   B H    
324  H HA   . LYS   A 23  ? 0.338261 0.403482 0.257282 -0.00316706 0.0335528   0.0520944   35  LYS   B HA   
325  H HB2  . LYS   A 23  ? 0.355341 0.41415  0.273047 -0.00237145 0.0220415   0.0619872   35  LYS   B HB2  
326  H HB3  . LYS   A 23  ? 0.379248 0.432267 0.272151 -0.00127184 0.0214892   0.0678246   35  LYS   B HB3  
327  H HG2  . LYS   A 23  ? 0.397514 0.44571  0.299101 -0.00643335 0.0421718   0.0737251   35  LYS   B HG2  
328  H HG3  . LYS   A 23  ? 0.374314 0.427553 0.300565 -0.00770616 0.0389273   0.0668389   35  LYS   B HG3  
329  H HD2  . LYS   A 23  ? 0.38763  0.429916 0.311119 0.00067713  0.0272871   0.0788067   35  LYS   B HD2  
330  H HD3  . LYS   A 23  ? 0.41265  0.448924 0.310617 0.00073708  0.0279516   0.0878709   35  LYS   B HD3  
331  H HE2  . LYS   A 23  ? 0.409663 0.435116 0.31978  -0.0104845  0.0491782   0.0892499   35  LYS   B HE2  
332  H HE3  . LYS   A 23  ? 0.388913 0.41625  0.320649 -0.00913105 0.0441379   0.0806743   35  LYS   B HE3  
333  H HZ1  . LYS   A 23  ? 0.429673 0.435737 0.327851 0.00170536  0.0367282   0.106946    35  LYS   B HZ1  
334  H HZ2  . LYS   A 23  ? 0.407549 0.418746 0.329975 0.00493415  0.0337702   0.0975303   35  LYS   B HZ2  
335  H HZ3  . LYS   A 23  ? 0.425852 0.422312 0.342232 -0.00392406 0.0456773   0.102025    35  LYS   B HZ3  
336  N N    . ILE   A 24  ? 0.377932 0.443248 0.278755 -0.0039491  0.0533768   0.0569529   36  ILE   B N    
337  C CA   . ILE   A 24  ? 0.42601  0.490038 0.313207 -0.00674209 0.0677553   0.0629615   36  ILE   B CA   
338  C C    . ILE   A 24  ? 0.414149 0.477189 0.315809 -0.014875   0.0743316   0.0718978   36  ILE   B C    
339  O O    . ILE   A 24  ? 0.414389 0.486866 0.34368  -0.0194955  0.0749201   0.0684183   36  ILE   B O    
340  C CB   . ILE   A 24  ? 0.442894 0.518975 0.332468 -0.00316988 0.0813946   0.0548715   36  ILE   B CB   
341  C CG1  . ILE   A 24  ? 0.469381 0.539002 0.344458 0.0056114   0.0750385   0.0438145   36  ILE   B CG1  
342  C CG2  . ILE   A 24  ? 0.523966 0.597398 0.391302 -0.00682064 0.0987906   0.0614115   36  ILE   B CG2  
343  C CD1  . ILE   A 24  ? 0.438199 0.519023 0.322766 0.0138227   0.08862     0.0340038   36  ILE   B CD1  
344  H H    . ILE   A 24  ? 0.359899 0.432668 0.278776 -0.00463802 0.0530342   0.0535269   36  ILE   B H    
345  H HA   . ILE   A 24  ? 0.436555 0.490644 0.301021 -0.00583584 0.0646229   0.0669846   36  ILE   B HA   
346  H HB   . ILE   A 24  ? 0.438882 0.528186 0.353562 -0.00431322 0.0841516   0.0525021   36  ILE   B HB   
347  H HG12 . ILE   A 24  ? 0.473125 0.530759 0.321861 0.00526305  0.0725852   0.0450554   36  ILE   B HG12 
348  H HG13 . ILE   A 24  ? 0.438205 0.506671 0.323029 0.00636534  0.0639884   0.0417718   36  ILE   B HG13 
349  H HG21 . ILE   A 24  ? 0.514257 0.597492 0.385229 -0.00351334 0.109662    0.0553671   36  ILE   B HG21 
350  H HG22 . ILE   A 24  ? 0.526285 0.586132 0.365718 -0.00597385 0.0944233   0.0642704   36  ILE   B HG22 
351  H HG23 . ILE   A 24  ? 0.508339 0.583319 0.384936 -0.0136023  0.103583    0.068949    36  ILE   B HG23 
352  H HD11 . ILE   A 24  ? 0.431595 0.527001 0.344113 0.014419    0.0888189   0.0334108   36  ILE   B HD11 
353  H HD12 . ILE   A 24  ? 0.456489 0.527158 0.32939  0.0195138   0.0839782   0.0269386   36  ILE   B HD12 
354  H HD13 . ILE   A 24  ? 0.468007 0.551353 0.342442 0.0129783   0.101864    0.0353691   36  ILE   B HD13 
355  N N    . VAL   A 25  ? 0.44876  0.497062 0.328128 -0.0178269  0.0787709   0.0841393   37  VAL   B N    
356  C CA   . VAL   A 25  ? 0.476946 0.517134 0.363551 -0.0272407  0.0884992   0.0943282   37  VAL   B CA   
357  C C    . VAL   A 25  ? 0.477728 0.534172 0.37255  -0.0348051  0.107986    0.092808    37  VAL   B C    
358  O O    . VAL   A 25  ? 0.463193 0.521566 0.334782 -0.0328741  0.118606    0.0940584   37  VAL   B O    
359  C CB   . VAL   A 25  ? 0.51379  0.528775 0.371808 -0.0266164  0.0858054   0.110913    37  VAL   B CB   
360  C CG1  . VAL   A 25  ? 0.533588 0.532458 0.393089 -0.0378559  0.0984553   0.123524    37  VAL   B CG1  
361  C CG2  . VAL   A 25  ? 0.527122 0.533249 0.385933 -0.0172034  0.0670412   0.112693    37  VAL   B CG2  
362  H H    . VAL   A 25  ? 0.463915 0.505246 0.321393 -0.0144858  0.0749027   0.0866863   37  VAL   B H    
363  H HA   . VAL   A 25  ? 0.457628 0.498388 0.36386  -0.0293497  0.0842647   0.0913549   37  VAL   B HA   
364  H HB   . VAL   A 25  ? 0.533278 0.547655 0.367725 -0.0247827  0.0882947   0.113157    37  VAL   B HB   
365  H HG11 . VAL   A 25  ? 0.521097 0.52256  0.404183 -0.0424893  0.098886    0.118526    37  VAL   B HG11 
366  H HG12 . VAL   A 25  ? 0.550097 0.554339 0.40184  -0.0436679  0.111214    0.125787    37  VAL   B HG12 
367  H HG13 . VAL   A 25  ? 0.555494 0.535275 0.399601 -0.034986   0.0934145   0.134423    37  VAL   B HG13 
368  H HG21 . VAL   A 25  ? 0.542868 0.534773 0.385348 -0.0151177  0.0641873   0.124185    37  VAL   B HG21 
369  H HG22 . VAL   A 25  ? 0.508482 0.523818 0.363876 -0.0125035  0.059698    0.106027    37  VAL   B HG22 
370  H HG23 . VAL   A 25  ? 0.505103 0.510698 0.384299 -0.0180957  0.0654648   0.109075    37  VAL   B HG23 
371  N N    . LYS   A 26  ? 0.440304 0.509972 0.368351 -0.0441769  0.113221    0.0895904   38  LYS   B N    
372  C CA   . LYS   A 26  ? 0.487717 0.581999 0.434668 -0.0522426  0.131836    0.0879996   38  LYS   B CA   
373  C C    . LYS   A 26  ? 0.50014  0.582802 0.445118 -0.06894    0.14596     0.101333    38  LYS   B C    
374  O O    . LYS   A 26  ? 0.511559 0.607303 0.454907 -0.0758079  0.166238    0.105764    38  LYS   B O    
375  C CB   . LYS   A 26  ? 0.512249 0.636513 0.502374 -0.0533931  0.126939    0.0758681   38  LYS   B CB   
376  C CG   . LYS   A 26  ? 0.492639 0.625569 0.482821 -0.0369852  0.115344    0.064724    38  LYS   B CG   
377  C CD   . LYS   A 26  ? 0.581557 0.719269 0.553108 -0.0248884  0.125528    0.06059     38  LYS   B CD   
378  C CE   . LYS   A 26  ? 0.602169 0.772313 0.60202  -0.0219881  0.140732    0.0547547   38  LYS   B CE   
379  N NZ   . LYS   A 26  ? 0.680725 0.847483 0.655686 -0.00873565 0.152236    0.0487027   38  LYS   B NZ   
380  H H    . LYS   A 26  ? 0.443405 0.508467 0.383722 -0.0460383  0.105201    0.0878306   38  LYS   B H    
381  H HA   . LYS   A 26  ? 0.495279 0.594765 0.427569 -0.0461746  0.139018    0.086458    38  LYS   B HA   
382  H HB2  . LYS   A 26  ? 0.492639 0.610152 0.493278 -0.0597506  0.118892    0.0757654   38  LYS   B HB2  
383  H HB3  . LYS   A 26  ? 0.504405 0.648706 0.511954 -0.0590856  0.139286    0.0757478   38  LYS   B HB3  
384  H HG2  . LYS   A 26  ? 0.501463 0.617391 0.47816  -0.0334924  0.103526    0.0649744   38  LYS   B HG2  
385  H HG3  . LYS   A 26  ? 0.492291 0.643212 0.508724 -0.03752    0.111026    0.0590035   38  LYS   B HG3  
386  H HD2  . LYS   A 26  ? 0.587269 0.71089  0.532944 -0.0270545  0.132363    0.066939    38  LYS   B HD2  
387  H HD3  . LYS   A 26  ? 0.558857 0.689183 0.521489 -0.0160256  0.114699    0.0553321   38  LYS   B HD3  
388  H HE2  . LYS   A 26  ? 0.590218 0.774853 0.615208 -0.0184725  0.132042    0.0492959   38  LYS   B HE2  
389  H HE3  . LYS   A 26  ? 0.619214 0.799333 0.6302   -0.0324566  0.152416    0.0601056   38  LYS   B HE3  
390  H HZ1  . LYS   A 26  ? 0.65513  0.810471 0.619297 -0.00052638 0.14118     0.0436797   38  LYS   B HZ1  
391  H HZ2  . LYS   A 26  ? 0.681783 0.835705 0.630813 -0.0126167  0.16004     0.0539114   38  LYS   B HZ2  
392  H HZ3  . LYS   A 26  ? 0.663173 0.851319 0.658525 -0.00493932 0.162853    0.0445393   38  LYS   B HZ3  
393  N N    . ARG   A 27  ? 0.48555  0.542644 0.431454 -0.0759833  0.137322    0.107304    39  ARG   B N    
394  C CA   . ARG   A 27  ? 0.509917 0.543978 0.446653 -0.0916775  0.149693    0.122326    39  ARG   B CA   
395  C C    . ARG   A 27  ? 0.585336 0.577124 0.494638 -0.0847949  0.137786    0.133304    39  ARG   B C    
396  O O    . ARG   A 27  ? 0.513962 0.4955   0.434478 -0.0791857  0.123212    0.126362    39  ARG   B O    
397  C CB   . ARG   A 27  ? 0.516594 0.558134 0.489689 -0.112024   0.154375    0.118833    39  ARG   B CB   
398  C CG   . ARG   A 27  ? 0.568872 0.582011 0.528637 -0.13082    0.170179    0.136314    39  ARG   B CG   
399  C CD   . ARG   A 27  ? 0.572548 0.588903 0.568127 -0.155261   0.173183    0.131757    39  ARG   B CD   
400  N NE   . ARG   A 27  ? 0.588005 0.57732  0.585982 -0.151535   0.153902    0.122784    39  ARG   B NE   
401  C CZ   . ARG   A 27  ? 0.572913 0.566207 0.599214 -0.167241   0.147076    0.11052     39  ARG   B CZ   
402  N NH1  . ARG   A 27  ? 0.560939 0.526629 0.581941 -0.161924   0.131831    0.100913    39  ARG   B NH1  
403  N NH2  . ARG   A 27  ? 0.551609 0.579187 0.611743 -0.188239   0.15555     0.107016    39  ARG   B NH2  
404  H H    . ARG   A 27  ? 0.470724 0.522982 0.422334 -0.0710301  0.124614    0.101902    39  ARG   B H    
405  H HA   . ARG   A 27  ? 0.54336  0.581615 0.465759 -0.0940643  0.163016    0.128848    39  ARG   B HA   
406  H HB2  . ARG   A 27  ? 0.501263 0.574651 0.497929 -0.115312   0.159639    0.111624    39  ARG   B HB2  
407  H HB3  . ARG   A 27  ? 0.503882 0.536057 0.485123 -0.110459   0.141807    0.112547    39  ARG   B HB3  
408  H HG2  . ARG   A 27  ? 0.585485 0.565772 0.521252 -0.125256   0.164375    0.144761    39  ARG   B HG2  
409  H HG3  . ARG   A 27  ? 0.582078 0.606107 0.532736 -0.133548   0.18446     0.142623    39  ARG   B HG3  
410  H HD2  . ARG   A 27  ? 0.611988 0.611108 0.599884 -0.169215   0.185247    0.143366    39  ARG   B HD2  
411  H HD3  . ARG   A 27  ? 0.55835  0.611236 0.582055 -0.159604   0.17574     0.122945    39  ARG   B HD3  
412  H HE   . ARG   A 27  ? 0.579626 0.549333 0.558595 -0.138406   0.146575    0.12506     39  ARG   B HE   
413  H HH11 . ARG   A 27  ? 0.548233 0.510941 0.558551 -0.145593   0.123743    0.0979833   39  ARG   B HH11 
414  H HH12 . ARG   A 27  ? 0.580836 0.53126  0.608702 -0.175254   0.130647    0.0970607   39  ARG   B HH12 
415  H HH21 . ARG   A 27  ? 0.582245 0.605547 0.643298 -0.20194    0.168379    0.11601     39  ARG   B HH21 
416  H HH22 . ARG   A 27  ? 0.535252 0.591039 0.617952 -0.188815   0.148215    0.0962666   39  ARG   B HH22 
417  N N    . VAL   A 28  ? 0.593686 0.56079  0.467428 -0.0852034  0.144901    0.151277    40  VAL   B N    
418  C CA   . VAL   A 28  ? 0.673282 0.602191 0.52268  -0.0752181  0.132006    0.16437     40  VAL   B CA   
419  C C    . VAL   A 28  ? 0.695035 0.591226 0.558264 -0.0848371  0.13238     0.169099    40  VAL   B C    
420  O O    . VAL   A 28  ? 0.665405 0.552271 0.534887 -0.105013   0.147841    0.175115    40  VAL   B O    
421  C CB   . VAL   A 28  ? 0.693644 0.605726 0.496122 -0.0722906  0.137022    0.183798    40  VAL   B CB   
422  C CG1  . VAL   A 28  ? 0.814182 0.682795 0.591528 -0.0651796  0.126824    0.204418    40  VAL   B CG1  
423  C CG2  . VAL   A 28  ? 0.700038 0.634942 0.484264 -0.0584732  0.128409    0.175303    40  VAL   B CG2  
424  H H    . VAL   A 28  ? 0.629324 0.603797 0.493581 -0.0911063  0.157971    0.156058    40  VAL   B H    
425  H HA   . VAL   A 28  ? 0.633357 0.569099 0.4865   -0.0629851  0.118793    0.156759    40  VAL   B HA   
426  H HB   . VAL   A 28  ? 0.734946 0.649959 0.533566 -0.08485    0.153446    0.188556    40  VAL   B HB   
427  H HG11 . VAL   A 28  ? 0.769542 0.636535 0.558606 -0.0537744  0.112676    0.199207    40  VAL   B HG11 
428  H HG12 . VAL   A 28  ? 0.811537 0.659645 0.592358 -0.0758486  0.135429    0.212104    40  VAL   B HG12 
429  H HG13 . VAL   A 28  ? 0.813671 0.676164 0.559548 -0.061246   0.125803    0.215333    40  VAL   B HG13 
430  H HG21 . VAL   A 28  ? 0.725217 0.648943 0.4764   -0.0574267  0.1304      0.186586    40  VAL   B HG21 
431  H HG22 . VAL   A 28  ? 0.673515 0.632501 0.47139  -0.0616418  0.136454    0.163654    40  VAL   B HG22 
432  H HG23 . VAL   A 28  ? 0.672686 0.608324 0.464103 -0.0479517  0.112921    0.170191    40  VAL   B HG23 
433  N N    . GLY   A 29  ? 0.685338 0.561268 0.550136 -0.0700654  0.116426    0.167624    41  GLY   B N    
434  C CA   . GLY   A 29  ? 0.719878 0.556579 0.592266 -0.0728315  0.115039    0.170198    41  GLY   B CA   
435  C C    . GLY   A 29  ? 0.834996 0.624566 0.677743 -0.0659411  0.114477    0.194795    41  GLY   B C    
436  O O    . GLY   A 29  ? 0.831902 0.619939 0.644302 -0.0617427  0.115069    0.211938    41  GLY   B O    
437  H H    . GLY   A 29  ? 0.670346 0.557619 0.531609 -0.0572272  0.106553    0.164168    41  GLY   B H    
438  H HA2  . GLY   A 29  ? 0.73404  0.569883 0.619536 -0.0892665  0.123769    0.1657      41  GLY   B HA2  
439  H HA3  . GLY   A 29  ? 0.707853 0.548274 0.592713 -0.0630557  0.105611    0.159482    41  GLY   B HA3  
440  N N    . ASN   A 30  ? 0.85267  0.59994  0.701247 -0.064242   0.113014    0.196663    42  ASN   B N    
441  C CA   . ASN   A 30  ? 0.918068 0.611546 0.741551 -0.0588674  0.113736    0.221026    42  ASN   B CA   
442  C C    . ASN   A 30  ? 0.979923 0.655131 0.808009 -0.0299534  0.0980109   0.222305    42  ASN   B C    
443  O O    . ASN   A 30  ? 0.927231 0.614174 0.780782 -0.022068   0.0933316   0.201781    42  ASN   B O    
444  C CB   . ASN   A 30  ? 0.918966 0.568448 0.74505  -0.0817464  0.127775    0.223806    42  ASN   B CB   
445  H H    . ASN   A 30  ? 0.83779  0.587847 0.705324 -0.0659383  0.111439    0.181965    42  ASN   B H    
446  H HA   . ASN   A 30  ? 0.935808 0.631413 0.736653 -0.0590656  0.115365    0.235948    42  ASN   B HA   
449  N N    . GLY   A 31  ? 1.01883  0.666733 0.822697 -0.0135161  0.0900714   0.247063    43  GLY   B N    
450  C CA   . GLY   A 31  ? 1.09414  0.72017  0.907565 0.0148168   0.0770443   0.251545    43  GLY   B CA   
451  C C    . GLY   A 31  ? 1.08064  0.755758 0.906124 0.0363524   0.0594468   0.246227    43  GLY   B C    
452  O O    . GLY   A 31  ? 1.04562  0.765743 0.869101 0.0282823   0.0573599   0.237384    43  GLY   B O    
453  H H    . GLY   A 31  ? 1.05383  0.697516 0.834763 -0.019407   0.0928246   0.261989    43  GLY   B H    
454  H HA2  . GLY   A 31  ? 1.13346  0.725087 0.927896 0.0205      0.0754062   0.27205     43  GLY   B HA2  
455  H HA3  . GLY   A 31  ? 1.08313  0.694729 0.914354 0.0142486   0.0815821   0.237966    43  GLY   B HA3  
456  N N    . GLU   A 32  ? 1.07411  0.737927 0.913375 0.0639918   0.0473146   0.252465    44  GLU   B N    
457  C CA   . GLU   A 32  ? 1.0242   0.730862 0.876775 0.0855069   0.0283347   0.253629    44  GLU   B CA   
458  C C    . GLU   A 32  ? 0.894811 0.632836 0.787742 0.094128    0.0293809   0.226899    44  GLU   B C    
459  O O    . GLU   A 32  ? 0.821263 0.606791 0.728047 0.100193    0.0184029   0.220054    44  GLU   B O    
460  C CB   . GLU   A 32  ? 1.02127  0.702278 0.864491 0.110744    0.0128716   0.281984    44  GLU   B CB   
461  H H    . GLU   A 32  ? 1.10412  0.731906 0.946213 0.069396    0.0513612   0.256046    44  GLU   B H    
462  H HA   . GLU   A 32  ? 0.983902 0.717252 0.822982 0.0764662   0.0246705   0.254058    44  GLU   B HA   
465  N N    . GLU   A 33  ? 0.860592 0.570078 0.768837 0.0926516   0.0431425   0.211495    45  GLU   B N    
466  C CA   . GLU   A 33  ? 0.838936 0.572147 0.778597 0.101115    0.0465591   0.187209    45  GLU   B CA   
467  C C    . GLU   A 33  ? 0.789541 0.564688 0.731572 0.0796607   0.0499227   0.166775    45  GLU   B C    
468  O O    . GLU   A 33  ? 0.762009 0.533237 0.68803  0.056431    0.0566488   0.164015    45  GLU   B O    
469  C CB   . GLU   A 33  ? 0.902354 0.586653 0.849981 0.106764    0.0601105   0.176221    45  GLU   B CB   
470  H H    . GLU   A 33  ? 0.908345 0.580998 0.804705 0.0850745   0.0510272   0.216206    45  GLU   B H    
471  H HA   . GLU   A 33  ? 0.834677 0.58966  0.788948 0.118971    0.0369342   0.191923    45  GLU   B HA   
474  N N    . THR   A 34  ? 0.741827 0.557808 0.706701 0.0886406   0.0456636   0.153139    46  THR   B N    
475  C CA   . THR   A 34  ? 0.64901  0.496664 0.619433 0.0728615   0.0498685   0.131872    46  THR   B CA   
476  C C    . THR   A 34  ? 0.678555 0.526538 0.669775 0.0830174   0.057873    0.113597    46  THR   B C    
477  O O    . THR   A 34  ? 0.765911 0.606415 0.773711 0.10527     0.0581933   0.117482    46  THR   B O    
478  C CB   . THR   A 34  ? 0.582224 0.478218 0.554572 0.0709601   0.0380818   0.133132    46  THR   B CB   
479  O OG1  . THR   A 34  ? 0.549355 0.462611 0.541699 0.0926903   0.0284674   0.140764    46  THR   B OG1  
480  C CG2  . THR   A 34  ? 0.569351 0.465972 0.515606 0.0603303   0.0323556   0.147576    46  THR   B CG2  
481  H H    . THR   A 34  ? 0.736585 0.561319 0.714788 0.105633    0.0396218   0.158426    46  THR   B H    
482  H HA   . THR   A 34  ? 0.661361 0.496704 0.620268 0.0567615   0.0558804   0.127796    46  THR   B HA   
483  H HB   . THR   A 34  ? 0.548861 0.462524 0.526343 0.0628482   0.0410777   0.119285    46  THR   B HB   
485  H HG21 . THR   A 34  ? 0.55443  0.478274 0.500556 0.0598909   0.0246163   0.146761    46  THR   B HG21 
486  H HG22 . THR   A 34  ? 0.605601 0.483596 0.543574 0.0679932   0.0288792   0.162504    46  THR   B HG22 
487  H HG23 . THR   A 34  ? 0.573658 0.461608 0.51084  0.0461587   0.040207    0.142698    46  THR   B HG23 
488  N N    . PRO   A 35  ? 0.694166 0.550687 0.684229 0.06789     0.0652263   0.0930396   47  PRO   B N    
489  C CA   . PRO   A 35  ? 0.726087 0.578002 0.727228 0.0754913   0.075197    0.074702    47  PRO   B CA   
490  C C    . PRO   A 35  ? 0.847422 0.736663 0.873445 0.0952401   0.0721448   0.0762879   47  PRO   B C    
491  O O    . PRO   A 35  ? 0.768059 0.694675 0.801385 0.0958026   0.060114    0.0864587   47  PRO   B O    
492  C CB   . PRO   A 35  ? 0.637849 0.503796 0.627972 0.0526932   0.0773919   0.0573734   47  PRO   B CB   
493  C CG   . PRO   A 35  ? 0.632686 0.489964 0.608304 0.0333858   0.0735423   0.0650986   47  PRO   B CG   
494  C CD   . PRO   A 35  ? 0.633445 0.504597 0.610903 0.0442768   0.0644199   0.0865342   47  PRO   B CD   
495  H HA   . PRO   A 35  ? 0.764892 0.581949 0.763    0.0801387   0.0819708   0.0727663   47  PRO   B HA   
496  H HB2  . PRO   A 35  ? 0.62215  0.519675 0.618167 0.0528169   0.073478    0.0555238   47  PRO   B HB2  
497  H HB3  . PRO   A 35  ? 0.665622 0.514191 0.651942 0.0505273   0.0851085   0.0439797   47  PRO   B HB3  
498  H HG2  . PRO   A 35  ? 0.612324 0.488353 0.585115 0.021221    0.0714807   0.0582628   47  PRO   B HG2  
499  H HG3  . PRO   A 35  ? 0.663885 0.489668 0.632822 0.028121    0.0785377   0.0642858   47  PRO   B HG3  
500  H HD2  . PRO   A 35  ? 0.611229 0.512977 0.592009 0.0436705   0.0585971   0.0862942   47  PRO   B HD2  
501  H HD3  . PRO   A 35  ? 0.651444 0.5091   0.618204 0.03647     0.0642717   0.0955178   47  PRO   B HD3  
502  N N    . MET   A 36  ? 0.849047 0.729011 0.887947 0.109437    0.0844352   0.0638079   48  MET   B N    
503  C CA   . MET   A 36  ? 0.767937 0.689858 0.835102 0.125004    0.0854385   0.0623866   48  MET   B CA   
504  C C    . MET   A 36  ? 0.732997 0.657037 0.798816 0.122336    0.102288    0.0394682   48  MET   B C    
505  O O    . MET   A 36  ? 0.7535   0.640878 0.795944 0.111998    0.111533    0.0247913   48  MET   B O    
506  C CB   . MET   A 36  ? 0.770961 0.688583 0.864013 0.153908    0.0833601   0.0764791   48  MET   B CB   
507  C CG   . MET   A 36  ? 0.781194 0.70999  0.873597 0.155524    0.0631226   0.100659    48  MET   B CG   
508  S SD   . MET   A 36  ? 0.723648 0.646184 0.848269 0.192854    0.0587869   0.118035    48  MET   B SD   
509  C CE   . MET   A 36  ? 0.784661 0.62549  0.880938 0.193544    0.0727054   0.114411    48  MET   B CE   
510  H H    . MET   A 36  ? 0.860643 0.708805 0.891075 0.10888     0.0928876   0.0557733   48  MET   B H    
511  H HA   . MET   A 36  ? 0.738499 0.691255 0.808072 0.117601    0.0759451   0.0678115   48  MET   B HA   
512  H HB2  . MET   A 36  ? 0.812126 0.691346 0.898654 0.160648    0.091321    0.0734176   48  MET   B HB2  
513  H HB3  . MET   A 36  ? 0.770051 0.715239 0.886299 0.165083    0.0875816   0.0726103   48  MET   B HB3  
514  H HG2  . MET   A 36  ? 0.727167 0.691949 0.825281 0.148869    0.0548992   0.10259     48  MET   B HG2  
515  H HG3  . MET   A 36  ? 0.767715 0.670323 0.837109 0.144303    0.0608531   0.105123    48  MET   B HG3  
516  H HE1  . MET   A 36  ? 0.814881 0.636671 0.915693 0.209618    0.0671729   0.129469    48  MET   B HE1  
517  H HE2  . MET   A 36  ? 0.779492 0.605626 0.850589 0.173082    0.0714623   0.113596    48  MET   B HE2  
518  H HE3  . MET   A 36  ? 0.795333 0.624565 0.896483 0.197851    0.0870412   0.0982655   48  MET   B HE3  
519  N N    . ILE   A 37  ? 0.64672  0.615209 0.735925 0.129277    0.105402    0.0370927   49  ILE   B N    
520  C CA   . ILE   A 37  ? 0.638439 0.612703 0.720701 0.123875    0.122264    0.0168431   49  ILE   B CA   
521  C C    . ILE   A 37  ? 0.670812 0.600032 0.74479  0.136698    0.14084     0.00145255  49  ILE   B C    
522  O O    . ILE   A 37  ? 0.828693 0.746236 0.925365 0.161352    0.145452    0.00724822  49  ILE   B O    
523  C CB   . ILE   A 37  ? 0.646537 0.674535 0.762352 0.132865    0.126224    0.0194419   49  ILE   B CB   
524  C CG1  . ILE   A 37  ? 0.581885 0.647067 0.704285 0.119772    0.105362    0.0348785   49  ILE   B CG1  
525  C CG2  . ILE   A 37  ? 0.619148 0.652283 0.725048 0.128217    0.147951    -0.0007117  49  ILE   B CG2  
526  C CD1  . ILE   A 37  ? 0.611851 0.726882 0.755204 0.114133    0.108064    0.034123    49  ILE   B CD1  
527  H H    . ILE   A 37  ? 0.646665 0.641282 0.755104 0.136574    0.0972135   0.0482526   49  ILE   B H    
528  H HA   . ILE   A 37  ? 0.628802 0.601266 0.689646 0.105675    0.119059    0.011694    49  ILE   B HA   
529  H HB   . ILE   A 37  ? 0.642985 0.674917 0.78334  0.152143    0.128451    0.0249646   49  ILE   B HB   
530  H HG12 . ILE   A 37  ? 0.59004  0.641229 0.687592 0.104272    0.0992891   0.033554    49  ILE   B HG12 
531  H HG13 . ILE   A 37  ? 0.600741 0.66896  0.736799 0.129567    0.0950782   0.0474568   49  ILE   B HG13 
532  H HG21 . ILE   A 37  ? 0.615276 0.684669 0.742019 0.130162    0.150889    0.00192876  49  ILE   B HG21 
533  H HG22 . ILE   A 37  ? 0.624562 0.646489 0.702516 0.110703    0.145765    -0.00692345 49  ILE   B HG22 
534  H HG23 . ILE   A 37  ? 0.660748 0.671542 0.766421 0.140568    0.161191    -0.00983926 49  ILE   B HG23 
535  H HD11 . ILE   A 37  ? 0.603418 0.736357 0.774577 0.129007    0.116013    0.034368    49  ILE   B HD11 
536  H HD12 . ILE   A 37  ? 0.574405 0.707451 0.721488 0.106853    0.093601    0.0438191   49  ILE   B HD12 
537  H HD13 . ILE   A 37  ? 0.592928 0.703954 0.717968 0.10236     0.116405    0.0238899   49  ILE   B HD13 
538  N N    . GLY   A 38  ? 0.663199 0.566653 0.703898 0.120552    0.150378    -0.0182885  50  GLY   B N    
539  C CA   . GLY   A 38  ? 0.730907 0.584858 0.753802 0.127612    0.167882    -0.0375812  50  GLY   B CA   
540  C C    . GLY   A 38  ? 0.750259 0.550842 0.743361 0.111275    0.160746    -0.0411457  50  GLY   B C    
541  O O    . GLY   A 38  ? 0.809927 0.568609 0.77549  0.104825    0.172027    -0.0622544  50  GLY   B O    
542  H H    . GLY   A 38  ? 0.651421 0.567654 0.678237 0.10399     0.14494     -0.0202461  50  GLY   B H    
543  H HA2  . GLY   A 38  ? 0.732191 0.591256 0.741469 0.121937    0.178254    -0.0519653  50  GLY   B HA2  
544  H HA3  . GLY   A 38  ? 0.745945 0.595375 0.789842 0.149163    0.175458    -0.0350023  50  GLY   B HA3  
545  N N    . ASP   A 39  ? 0.744208 0.545448 0.741651 0.103463    0.143209    -0.021483   51  ASP   B N    
546  C CA   . ASP   A 39  ? 0.749665 0.504252 0.725145 0.086847    0.137782    -0.0215589  51  ASP   B CA   
547  C C    . ASP   A 39  ? 0.789685 0.537301 0.734984 0.0577132   0.135704    -0.0398043  51  ASP   B C    
548  O O    . ASP   A 39  ? 0.75144  0.537721 0.692222 0.0468788   0.130764    -0.0433365  51  ASP   B O    
549  C CB   . ASP   A 39  ? 0.756125 0.519861 0.739789 0.0818967   0.121824    0.00351267  51  ASP   B CB   
550  C CG   . ASP   A 39  ? 0.737335 0.492769 0.742224 0.107856    0.119528    0.0242371   51  ASP   B CG   
551  O OD1  . ASP   A 39  ? 0.781769 0.521438 0.800057 0.131857    0.130541    0.0194391   51  ASP   B OD1  
552  O OD2  . ASP   A 39  ? 0.779983 0.544973 0.787495 0.105631    0.106682    0.0455659   51  ASP   B OD2  
553  H H    . ASP   A 39  ? 0.706647 0.538242 0.720553 0.107566    0.135035    -0.00786957 51  ASP   B H    
554  H HA   . ASP   A 39  ? 0.806641 0.524367 0.780486 0.0976432   0.146305    -0.026088   51  ASP   B HA   
555  H HB2  . ASP   A 39  ? 0.702317 0.503076 0.690272 0.0753619   0.114197    0.00838638  51  ASP   B HB2  
556  H HB3  . ASP   A 39  ? 0.755837 0.494442 0.724745 0.0664322   0.119562    0.00220722  51  ASP   B HB3  
557  N N    . LYS   A 40  ? 0.809721 0.505679 0.73388  0.0447867   0.138589    -0.0514294  52  LYS   B N    
558  C CA   . LYS   A 40  ? 0.818492 0.509057 0.717959 0.0143152   0.131095    -0.0652518  52  LYS   B CA   
559  C C    . LYS   A 40  ? 0.784625 0.492388 0.694363 -0.00220739 0.116099    -0.0461077  52  LYS   B C    
560  O O    . LYS   A 40  ? 0.8067   0.487926 0.723543 0.00037895  0.116344    -0.0321927  52  LYS   B O    
561  C CB   . LYS   A 40  ? 0.936718 0.565894 0.809456 0.00540911  0.140264    -0.088179   52  LYS   B CB   
562  C CG   . LYS   A 40  ? 0.985525 0.6118   0.830917 -0.0269188  0.130571    -0.106293   52  LYS   B CG   
563  C CD   . LYS   A 40  ? 1.13626  0.701069 0.949245 -0.0381865  0.13852     -0.133238   52  LYS   B CD   
564  C CE   . LYS   A 40  ? 1.17663  0.7372   0.969062 -0.0753398  0.12258     -0.146038   52  LYS   B CE   
565  N NZ   . LYS   A 40  ? 1.29892  0.792558 1.06784  -0.0925878  0.125917    -0.165321   52  LYS   B NZ   
566  H H    . LYS   A 40  ? 0.850452 0.513456 0.776507 0.0550527   0.144583    -0.050443   52  LYS   B H    
567  H HA   . LYS   A 40  ? 0.804698 0.523153 0.698617 0.0109955   0.129887    -0.0717357  52  LYS   B HA   
568  H HB2  . LYS   A 40  ? 0.954731 0.572975 0.823078 0.0207372   0.152497    -0.0988736  52  LYS   B HB2  
569  H HB3  . LYS   A 40  ? 0.955954 0.554477 0.832814 0.00601261  0.140806    -0.0810056  52  LYS   B HB3  
570  H HG2  . LYS   A 40  ? 0.975066 0.611569 0.828621 -0.0415179  0.119818    -0.0960344  52  LYS   B HG2  
571  H HG3  . LYS   A 40  ? 0.968616 0.626507 0.809061 -0.0275895  0.128229    -0.110105   52  LYS   B HG3  
572  H HD2  . LYS   A 40  ? 1.13954  0.700818 0.939046 -0.0274766  0.148683    -0.146715   52  LYS   B HD2  
573  H HD3  . LYS   A 40  ? 1.15312  0.681218 0.971026 -0.0311935  0.144764    -0.129781   52  LYS   B HD3  
574  H HE2  . LYS   A 40  ? 1.14134  0.727532 0.951824 -0.0849711  0.111877    -0.130971   52  LYS   B HE2  
575  H HE3  . LYS   A 40  ? 1.17354  0.754216 0.950498 -0.0799472  0.119257    -0.156153   52  LYS   B HE3  
576  H HZ1  . LYS   A 40  ? 1.29355  0.765781 1.07536  -0.0896821  0.128822    -0.154824   52  LYS   B HZ1  
577  H HZ2  . LYS   A 40  ? 1.31963  0.786893 1.06939  -0.0834674  0.136663    -0.18108    52  LYS   B HZ2  
578  H HZ3  . LYS   A 40  ? 1.28864  0.787547 1.04867  -0.115727   0.114362    -0.172112   52  LYS   B HZ3  
579  N N    . VAL   A 41  ? 0.732491 0.483757 0.642448 -0.0173047  0.104466    -0.044468   53  VAL   B N    
580  C CA   . VAL   A 41  ? 0.702545 0.477761 0.625018 -0.0294242  0.093155    -0.0271352  53  VAL   B CA   
581  C C    . VAL   A 41  ? 0.69968  0.48043  0.613829 -0.0579886  0.0837115   -0.0370414  53  VAL   B C    
582  O O    . VAL   A 41  ? 0.653598 0.442149 0.552771 -0.0675568  0.0793475   -0.0536212  53  VAL   B O    
583  C CB   . VAL   A 41  ? 0.668432 0.493376 0.60542  -0.017662   0.0873057   -0.013442   53  VAL   B CB   
584  C CG1  . VAL   A 41  ? 0.662066 0.510873 0.608344 -0.0286878  0.078009    0.00170064  53  VAL   B CG1  
585  C CG2  . VAL   A 41  ? 0.660682 0.486719 0.610833 0.00863808  0.0936767   -0.00355098 53  VAL   B CG2  
586  H H    . VAL   A 41  ? 0.728661 0.493973 0.629948 -0.0193761  0.104367    -0.0543563  53  VAL   B H    
587  H HA   . VAL   A 41  ? 0.720093 0.474512 0.647295 -0.0265532  0.0956908   -0.0174396  53  VAL   B HA   
588  H HB   . VAL   A 41  ? 0.655479 0.497683 0.586382 -0.0207097  0.0853654   -0.0222289  53  VAL   B HB   
589  H HG11 . VAL   A 41  ? 0.672699 0.500373 0.61934  -0.0336233  0.0801373   0.00724239  53  VAL   B HG11 
590  H HG12 . VAL   A 41  ? 0.64235  0.506756 0.586124 -0.0411102  0.0724472   -0.00431379 53  VAL   B HG12 
591  H HG13 . VAL   A 41  ? 0.630408 0.499615 0.584295 -0.0184666  0.0758461   0.0118008   53  VAL   B HG13 
592  H HG21 . VAL   A 41  ? 0.631841 0.488178 0.590776 0.012888    0.0884325   0.00520246  53  VAL   B HG21 
593  H HG22 . VAL   A 41  ? 0.677102 0.495957 0.623935 0.0163784   0.101043    -0.0142339  53  VAL   B HG22 
594  H HG23 . VAL   A 41  ? 0.68227  0.48604  0.635503 0.013376    0.0954914   0.00486157  53  VAL   B HG23 
595  N N    . TYR   A 42  ? 0.665984 0.442174 0.589882 -0.0726887  0.0805273   -0.0260545  54  TYR   B N    
596  C CA   . TYR   A 42  ? 0.666188 0.451959 0.591612 -0.100587   0.0716395   -0.0332901  54  TYR   B CA   
597  C C    . TYR   A 42  ? 0.631926 0.463126 0.578383 -0.104401   0.0656669   -0.0164602  54  TYR   B C    
598  O O    . TYR   A 42  ? 0.616764 0.443124 0.571484 -0.099877   0.0717363   0.00098672  54  TYR   B O    
599  C CB   . TYR   A 42  ? 0.769676 0.5066   0.690101 -0.119001   0.0766335   -0.0375912  54  TYR   B CB   
600  C CG   . TYR   A 42  ? 0.812442 0.49213  0.709813 -0.114493   0.0852167   -0.0552566  54  TYR   B CG   
601  C CD1  . TYR   A 42  ? 0.839527 0.487768 0.733653 -0.0878741  0.0974348   -0.0492365  54  TYR   B CD1  
602  C CD2  . TYR   A 42  ? 0.889679 0.548081 0.768211 -0.135746   0.0804416   -0.0790216  54  TYR   B CD2  
603  C CE1  . TYR   A 42  ? 0.921686 0.516399 0.796446 -0.0805225  0.107688    -0.0666071  54  TYR   B CE1  
604  C CE2  . TYR   A 42  ? 0.946047 0.546824 0.799236 -0.131675   0.0902153   -0.0978797  54  TYR   B CE2  
605  C CZ   . TYR   A 42  ? 0.964321 0.532601 0.816568 -0.102784   0.105291    -0.0918122  54  TYR   B CZ   
606  O OH   . TYR   A 42  ? 1.04556  0.557203 0.874339 -0.0948632  0.117201    -0.111705   54  TYR   B OH   
607  H H    . TYR   A 42  ? 0.675316 0.443934 0.605829 -0.0652812  0.0840651   -0.0131396  54  TYR   B H    
608  H HA   . TYR   A 42  ? 0.676869 0.471628 0.592887 -0.105417   0.0662621   -0.0462736  54  TYR   B HA   
609  H HB2  . TYR   A 42  ? 0.754978 0.484798 0.683519 -0.115796   0.0813926   -0.022607   54  TYR   B HB2  
610  H HB3  . TYR   A 42  ? 0.756062 0.505233 0.681016 -0.139199   0.0695282   -0.0428037  54  TYR   B HB3  
611  H HD1  . TYR   A 42  ? 0.820064 0.483457 0.725743 -0.073947   0.0986045   -0.0332108  54  TYR   B HD1  
612  H HD2  . TYR   A 42  ? 0.868646 0.550558 0.751547 -0.153728   0.0701723   -0.0826317  54  TYR   B HD2  
613  H HE1  . TYR   A 42  ? 0.928923 0.504546 0.805502 -0.0603218  0.11597     -0.0616465  54  TYR   B HE1  
614  H HE2  . TYR   A 42  ? 0.977103 0.561663 0.813846 -0.147584   0.086304    -0.115221   54  TYR   B HE2  
616  N N    . VAL   A 43  ? 0.591501 0.462552 0.543857 -0.113085   0.0541389   -0.0221857  55  VAL   B N    
617  C CA   . VAL   A 43  ? 0.566766 0.481249 0.540252 -0.115172   0.049573    -0.00936469 55  VAL   B CA   
618  C C    . VAL   A 43  ? 0.574237 0.51628  0.562226 -0.137152   0.0379734   -0.0170329  55  VAL   B C    
619  O O    . VAL   A 43  ? 0.563103 0.497478 0.539877 -0.149252   0.0286218   -0.033084   55  VAL   B O    
620  C CB   . VAL   A 43  ? 0.516783 0.460813 0.489052 -0.0950984  0.0460097   -0.00411426 55  VAL   B CB   
621  C CG1  . VAL   A 43  ? 0.535684 0.461051 0.499143 -0.0745239  0.0546143   0.00301846  55  VAL   B CG1  
622  C CG2  . VAL   A 43  ? 0.50125  0.462615 0.464686 -0.0982217  0.0341379   -0.0169502  55  VAL   B CG2  
623  H H    . VAL   A 43  ? 0.60561  0.475676 0.547648 -0.116904   0.0492466   -0.0342463  55  VAL   B H    
624  H HA   . VAL   A 43  ? 0.567617 0.475009 0.54726  -0.115276   0.0563862   0.00132139  55  VAL   B HA   
625  H HB   . VAL   A 43  ? 0.500941 0.467545 0.485708 -0.0950735  0.0451778   0.0044075   55  VAL   B HB   
626  H HG11 . VAL   A 43  ? 0.547185 0.453941 0.500029 -0.0714428  0.0568752   -0.00576126 55  VAL   B HG11 
627  H HG12 . VAL   A 43  ? 0.540729 0.452305 0.507159 -0.0740984  0.0602131   0.0116394   55  VAL   B HG12 
628  H HG13 . VAL   A 43  ? 0.505245 0.451125 0.470769 -0.0648858  0.0521647   0.00792186  55  VAL   B HG13 
629  H HG21 . VAL   A 43  ? 0.488305 0.457471 0.446022 -0.0857284  0.0342081   -0.0146376  55  VAL   B HG21 
630  H HG22 . VAL   A 43  ? 0.493777 0.478419 0.469005 -0.106232   0.0266601   -0.0161987  55  VAL   B HG22 
631  H HG23 . VAL   A 43  ? 0.530301 0.470949 0.481157 -0.104797   0.0340017   -0.0278188  55  VAL   B HG23 
632  N N    . HIS   A 44  ? 0.502384 0.47972  0.515191 -0.140854   0.0382286   -0.00561173 56  HIS   B N    
633  C CA   . HIS   A 44  ? 0.500234 0.522558 0.535201 -0.150728   0.0254181   -0.00905622 56  HIS   B CA   
634  C C    . HIS   A 44  ? 0.496393 0.549579 0.535127 -0.129357   0.0231822   -0.00106039 56  HIS   B C    
635  O O    . HIS   A 44  ? 0.436559 0.484924 0.471541 -0.115534   0.0339641   0.00982123  56  HIS   B O    
636  C CB   . HIS   A 44  ? 0.538393 0.579042 0.604051 -0.172535   0.0296315   -0.00422686 56  HIS   B CB   
637  C CG   . HIS   A 44  ? 0.600658 0.624015 0.667018 -0.199243   0.0223122   -0.0172803  56  HIS   B CG   
638  N ND1  . HIS   A 44  ? 0.694333 0.723183 0.752002 -0.207915   0.00351459  -0.0332278  56  HIS   B ND1  
639  C CD2  . HIS   A 44  ? 0.641361 0.63426  0.709961 -0.220055   0.0315176   -0.0168914  56  HIS   B CD2  
640  C CE1  . HIS   A 44  ? 0.779882 0.78343  0.835117 -0.23435    0.00070046  -0.0442627  56  HIS   B CE1  
641  N NE2  . HIS   A 44  ? 0.726795 0.707229 0.790097 -0.242411   0.0179793   -0.0344884  56  HIS   B NE2  
642  H H    . HIS   A 44  ? 0.513713 0.487341 0.529796 -0.136196   0.0469183   0.00482338  56  HIS   B H    
643  H HA   . HIS   A 44  ? 0.520854 0.539734 0.546853 -0.156894   0.0154294   -0.0200657  56  HIS   B HA   
644  H HB2  . HIS   A 44  ? 0.541789 0.568635 0.606362 -0.170525   0.0422175   0.00518242  56  HIS   B HB2  
645  H HB3  . HIS   A 44  ? 0.516389 0.594372 0.602351 -0.171024   0.0250009   -0.00153491 56  HIS   B HB3  
647  H HD2  . HIS   A 44  ? 0.658265 0.63858  0.729085 -0.220392   0.0441961   -0.00658018 56  HIS   B HD2  
648  H HE1  . HIS   A 44  ? 0.770831 0.772354 0.818438 -0.246368   -0.0118848  -0.0565745  56  HIS   B HE1  
650  N N    . TYR   A 45  ? 0.454887 0.537357 0.499186 -0.127461   0.00786235  -0.00614806 57  TYR   B N    
651  C CA   . TYR   A 45  ? 0.408987 0.513784 0.45519  -0.107463   0.00597945  0.00131715  57  TYR   B CA   
652  C C    . TYR   A 45  ? 0.384915 0.531927 0.456606 -0.109484   -0.00849611 0.00080045  57  TYR   B C    
653  O O    . TYR   A 45  ? 0.420018 0.578329 0.498262 -0.123777   -0.0232377  -0.00703908 57  TYR   B O    
654  C CB   . TYR   A 45  ? 0.335711 0.419524 0.351296 -0.0925826  0.00472471  -0.00050059 57  TYR   B CB   
655  C CG   . TYR   A 45  ? 0.373358 0.456585 0.372007 -0.0974606  -0.0102903  -0.010509   57  TYR   B CG   
656  C CD1  . TYR   A 45  ? 0.350421 0.458718 0.352009 -0.0909171  -0.024309   -0.00769105 57  TYR   B CD1  
657  C CD2  . TYR   A 45  ? 0.392772 0.448711 0.370664 -0.10925    -0.0110383  -0.0227534  57  TYR   B CD2  
658  C CE1  . TYR   A 45  ? 0.434998 0.542955 0.417475 -0.0970917  -0.0401638  -0.0148247  57  TYR   B CE1  
659  C CE2  . TYR   A 45  ? 0.465051 0.520448 0.421351 -0.115297   -0.0251806  -0.0323065  57  TYR   B CE2  
660  C CZ   . TYR   A 45  ? 0.414064 0.494449 0.369601 -0.108645   -0.0395554  -0.0271594  57  TYR   B CZ   
661  O OH   . TYR   A 45  ? 0.528451 0.607284 0.457666 -0.115655   -0.0556043  -0.0346034  57  TYR   B OH   
662  H H    . TYR   A 45  ? 0.470416 0.556787 0.5158   -0.138519   -0.00186319 -0.0138387  57  TYR   B H    
663  H HA   . TYR   A 45  ? 0.386862 0.493803 0.439894 -0.102285   0.0163197   0.00904457  57  TYR   B HA   
664  H HB2  . TYR   A 45  ? 0.337238 0.43136  0.354609 -0.0808478  0.00590885  0.00567465  57  TYR   B HB2  
665  H HB3  . TYR   A 45  ? 0.36437  0.424242 0.368687 -0.0916845  0.0131361   -0.00089016 57  TYR   B HB3  
666  H HD1  . TYR   A 45  ? 0.349703 0.47434  0.365471 -0.0824173  -0.0234834  -0.00072423 57  TYR   B HD1  
667  H HD2  . TYR   A 45  ? 0.418575 0.453708 0.393963 -0.11253    -0.00170898 -0.0246683  57  TYR   B HD2  
668  H HE1  . TYR   A 45  ? 0.402291 0.524205 0.384661 -0.0911543  -0.0499807  -0.0108589  57  TYR   B HE1  
669  H HE2  . TYR   A 45  ? 0.467773 0.501759 0.405828 -0.122802   -0.0242149  -0.0421361  57  TYR   B HE2  
671  N N    . LYS   A 46  ? 0.372445 0.53868  0.452694 -0.0919879  -0.00642366 0.00858794  58  LYS   B N    
672  C CA   . LYS   A 46  ? 0.412479 0.615085 0.515055 -0.0839479  -0.0189091  0.0105965   58  LYS   B CA   
673  C C    . LYS   A 46  ? 0.41079  0.600738 0.490658 -0.0636548  -0.0203124  0.0146913   58  LYS   B C    
674  O O    . LYS   A 46  ? 0.430504 0.60894  0.502724 -0.0536911  -0.00678848 0.0192953   58  LYS   B O    
675  C CB   . LYS   A 46  ? 0.362064 0.599993 0.503481 -0.0808342  -0.00867146 0.0163065   58  LYS   B CB   
676  H H    . LYS   A 46  ? 0.373966 0.528171 0.444969 -0.0837108  0.00333235  0.012937    58  LYS   B H    
677  H HA   . LYS   A 46  ? 0.406558 0.617213 0.51141  -0.0920165  -0.0326587  0.00595568  58  LYS   B HA   
680  N N    . GLY   A 47  ? 0.407784 0.597215 0.473406 -0.0595526  -0.0373405  0.0133884   59  GLY   B N    
681  C CA   . GLY   A 47  ? 0.424481 0.599492 0.468485 -0.0434333  -0.0387624  0.0182841   59  GLY   B CA   
682  C C    . GLY   A 47  ? 0.42375  0.619865 0.480922 -0.031722   -0.0543558  0.0232637   59  GLY   B C    
683  O O    . GLY   A 47  ? 0.496057 0.720674 0.577681 -0.0366259  -0.0676169  0.022404    59  GLY   B O    
684  H H    . GLY   A 47  ? 0.425758 0.622789 0.493731 -0.068145   -0.0484565  0.00974343  59  GLY   B H    
685  H HA2  . GLY   A 47  ? 0.407884 0.576576 0.451766 -0.0369008  -0.0272519  0.020946    59  GLY   B HA2  
686  H HA3  . GLY   A 47  ? 0.4267   0.58256  0.446232 -0.0467304  -0.040768   0.0159337   59  GLY   B HA3  
687  N N    . LYS   A 48  ? 0.378251 0.560148 0.421474 -0.0162437  -0.0529543  0.0288612   60  LYS   B N    
688  C CA   . LYS   A 48  ? 0.426316 0.617864 0.475942 -0.00209373 -0.0681951  0.035304    60  LYS   B CA   
689  C C    . LYS   A 48  ? 0.424065 0.583776 0.444548 0.0085703   -0.064816   0.0402769   60  LYS   B C    
690  O O    . LYS   A 48  ? 0.372839 0.513642 0.379034 0.00601577  -0.0500084  0.038015    60  LYS   B O    
691  C CB   . LYS   A 48  ? 0.38108  0.606305 0.474444 0.0104889   -0.0664063  0.0370148   60  LYS   B CB   
692  C CG   . LYS   A 48  ? 0.393549 0.615062 0.495348 0.0195626   -0.0441406  0.0354342   60  LYS   B CG   
693  C CD   . LYS   A 48  ? 0.394177 0.6418   0.531446 0.0387484   -0.0405135  0.0369194   60  LYS   B CD   
694  H H    . LYS   A 48  ? 0.391559 0.556406 0.421228 -0.0144869  -0.0430735  0.0290035   60  LYS   B H    
695  H HA   . LYS   A 48  ? 0.424272 0.619604 0.467154 -0.00774416 -0.0821335  0.0355689   60  LYS   B HA   
696  H HB2  . LYS   A 48  ? 0.406747 0.635245 0.503264 0.0219135   -0.0775886  0.041862    60  LYS   B HB2  
697  H HB3  . LYS   A 48  ? 0.393385 0.642066 0.508139 0.00157376  -0.0695644  0.034415    60  LYS   B HB3  
698  H HG2  . LYS   A 48  ? 0.37905  0.605161 0.485756 0.0089631   -0.0343391  0.0322051   60  LYS   B HG2  
699  H HG3  . LYS   A 48  ? 0.38955  0.584625 0.466097 0.022901    -0.0403645  0.0362661   60  LYS   B HG3  
702  N N    . LEU   A 49  ? 0.402448 0.555164 0.412042 0.0178437   -0.0805099  0.0477543   61  LEU   B N    
703  C CA   . LEU   A 49  ? 0.49053  0.6137   0.47998  0.0295069   -0.0779026  0.0537533   61  LEU   B CA   
704  C C    . LEU   A 49  ? 0.446383 0.575429 0.460253 0.0441407   -0.0654802  0.051085    61  LEU   B C    
705  O O    . LEU   A 49  ? 0.433077 0.592914 0.482277 0.051994    -0.065639   0.0493925   61  LEU   B O    
706  C CB   . LEU   A 49  ? 0.484255 0.596303 0.459288 0.0387046   -0.0974548  0.0646594   61  LEU   B CB   
707  C CG   . LEU   A 49  ? 0.509795 0.619657 0.457862 0.0255512   -0.112721   0.0679232   61  LEU   B CG   
708  C CD1  . LEU   A 49  ? 0.538462 0.634184 0.466792 0.0352166   -0.133325   0.0818552   61  LEU   B CD1  
709  C CD2  . LEU   A 49  ? 0.521218 0.608068 0.435193 0.00930492  -0.100088   0.0637248   61  LEU   B CD2  
710  H H    . LEU   A 49  ? 0.438562 0.603761 0.452564 0.0163158   -0.0937808  0.049561    61  LEU   B H    
711  H HA   . LEU   A 49  ? 0.458563 0.563406 0.426744 0.0215622   -0.0703243  0.0522904   61  LEU   B HA   
712  H HB2  . LEU   A 49  ? 0.496377 0.626122 0.49611  0.0504496   -0.104168   0.0667585   61  LEU   B HB2  
713  H HB3  . LEU   A 49  ? 0.504078 0.590729 0.461772 0.0430859   -0.0938698  0.0683817   61  LEU   B HB3  
714  H HG   . LEU   A 49  ? 0.502115 0.63628  0.467434 0.0203226   -0.117994   0.0634307   61  LEU   B HG   
715  H HD11 . LEU   A 49  ? 0.543621 0.656295 0.4974   0.0479691   -0.142366   0.0850459   61  LEU   B HD11 
716  H HD12 . LEU   A 49  ? 0.55601  0.651939 0.46463  0.0255299   -0.142738   0.0830027   61  LEU   B HD12 
717  H HD13 . LEU   A 49  ? 0.552069 0.620792 0.46128  0.0382703   -0.128185   0.08679     61  LEU   B HD13 
718  H HD21 . LEU   A 49  ? 0.497406 0.593587 0.422905 0.00307614  -0.0897861  0.055735    61  LEU   B HD21 
719  H HD22 . LEU   A 49  ? 0.521241 0.5877   0.422629 0.0122613   -0.0935711  0.0673323   61  LEU   B HD22 
720  H HD23 . LEU   A 49  ? 0.535186 0.617954 0.427899 0.00190971  -0.108418   0.0654047   61  LEU   B HD23 
721  N N    . SER   A 50  ? 0.448232 0.549674 0.443615 0.0465607   -0.053603   0.0495948   62  SER   B N    
722  C CA   . SER   A 50  ? 0.493098 0.599281 0.505855 0.0585352   -0.040149   0.0442973   62  SER   B CA   
723  C C    . SER   A 50  ? 0.523391 0.635536 0.556896 0.0806912   -0.0466506  0.0473335   62  SER   B C    
724  O O    . SER   A 50  ? 0.62605  0.757255 0.685421 0.0917061   -0.0351095  0.041925    62  SER   B O    
725  C CB   . SER   A 50  ? 0.559025 0.634932 0.545989 0.0554623   -0.0287352  0.0406324   62  SER   B CB   
726  O OG   . SER   A 50  ? 0.625375 0.667829 0.587979 0.0584603   -0.0366433  0.0457027   62  SER   B OG   
727  H H    . SER   A 50  ? 0.464106 0.545426 0.436743 0.0403897   -0.053565   0.0513334   62  SER   B H    
728  H HA   . SER   A 50  ? 0.480116 0.608247 0.510124 0.0539363   -0.0335976  0.0406247   62  SER   B HA   
729  H HB2  . SER   A 50  ? 0.554615 0.633203 0.549424 0.0627906   -0.019587   0.0360933   62  SER   B HB2  
730  H HB3  . SER   A 50  ? 0.540632 0.617171 0.519585 0.0434477   -0.0249504  0.0393318   62  SER   B HB3  
732  N N    . ASN   A 51  ? 0.632744 0.728507 0.654409 0.0877142   -0.063869   0.0565774   63  ASN   B N    
733  C CA   . ASN   A 51  ? 0.780861 0.885553 0.825062 0.1101      -0.0766516  0.0632212   63  ASN   B CA   
734  C C    . ASN   A 51  ? 0.860088 1.01994  0.952879 0.114631    -0.0807202  0.0616912   63  ASN   B C    
735  O O    . ASN   A 51  ? 0.983127 1.16275  1.11057  0.136312    -0.0795397  0.0617023   63  ASN   B O    
736  C CB   . ASN   A 51  ? 0.722636 0.805452 0.741797 0.110655    -0.0987438  0.0767874   63  ASN   B CB   
737  H H    . ASN   A 51  ? 0.637564 0.714402 0.634534 0.078224    -0.0679087  0.0598412   63  ASN   B H    
738  H HA   . ASN   A 51  ? 0.765669 0.854342 0.810416 0.123125    -0.0689857  0.0606664   63  ASN   B HA   
741  N N    . GLY   A 52  ? 0.936374 1.12148  1.03381  0.0940625   -0.0852368  0.0598902   64  GLY   B N    
742  C CA   . GLY   A 52  ? 0.765804 1.00323  0.909803 0.0908679   -0.0853835  0.0562381   64  GLY   B CA   
743  C C    . GLY   A 52  ? 0.838707 1.10154  0.994189 0.0864033   -0.112925   0.0631211   64  GLY   B C    
744  O O    . GLY   A 52  ? 0.846638 1.15658  1.04424  0.0816106   -0.117755   0.0607845   64  GLY   B O    
745  H H    . GLY   A 52  ? 0.867165 1.03565  0.938143 0.0808601   -0.0875222  0.0604769   64  GLY   B H    
746  H HA2  . GLY   A 52  ? 0.794108 1.03549  0.935528 0.0760321   -0.0745261  0.0505098   64  GLY   B HA2  
747  H HA3  . GLY   A 52  ? 0.81485  1.06761  0.985684 0.105758    -0.0779164  0.0548012   64  GLY   B HA3  
748  N N    . LYS   A 53  ? 0.943289 1.17505  1.05875  0.0848755   -0.130725   0.0715111   65  LYS   B N    
749  C CA   . LYS   A 53  ? 0.879825 1.12907  1.00047  0.0892504   -0.160738   0.0816176   65  LYS   B CA   
750  C C    . LYS   A 53  ? 0.927739 1.18347  1.02559  0.0622104   -0.173654   0.0781244   65  LYS   B C    
751  O O    . LYS   A 53  ? 0.956537 1.22502  1.04983  0.0616321   -0.200834   0.0856386   65  LYS   B O    
752  C CB   . LYS   A 53  ? 0.826581 1.03585  0.916703 0.107927    -0.173059   0.0955381   65  LYS   B CB   
753  H H    . LYS   A 53  ? 0.903287 1.10291  0.986512 0.0800905   -0.124182   0.0714048   65  LYS   B H    
754  H HA   . LYS   A 53  ? 0.88236  1.16752  1.04481  0.0989804   -0.165068   0.0818415   65  LYS   B HA   
757  N N    . LYS   A 54  ? 0.816526 1.06087  0.897215 0.0409133   -0.155555   0.0668401   66  LYS   B N    
758  C CA   . LYS   A 54  ? 0.684024 0.936483 0.751577 0.015359    -0.162332   0.0586887   66  LYS   B CA   
759  C C    . LYS   A 54  ? 0.633452 0.889334 0.716054 0.00273423  -0.136812   0.0469643   66  LYS   B C    
760  O O    . LYS   A 54  ? 0.640562 0.873602 0.713914 0.0101503   -0.116489   0.0466868   66  LYS   B O    
761  C CB   . LYS   A 54  ? 0.63657  0.848296 0.642374 0.00334129  -0.166577   0.059538    66  LYS   B CB   
762  H H    . LYS   A 54  ? 0.790552 1.01901  0.86633  0.0429764   -0.138132   0.0638252   66  LYS   B H    
763  H HA   . LYS   A 54  ? 0.699134 0.981301 0.789195 0.0137342   -0.178893   0.0596986   66  LYS   B HA   
766  N N    . PHE   A 55  ? 0.54187  0.819726 0.640413 -0.0173133  -0.13957    0.0382336   67  PHE   B N    
767  C CA   . PHE   A 55  ? 0.56056  0.853983 0.68897  -0.028531   -0.119916   0.0303572   67  PHE   B CA   
768  C C    . PHE   A 55  ? 0.496232 0.783716 0.610816 -0.0557242  -0.123763   0.0198156   67  PHE   B C    
769  O O    . PHE   A 55  ? 0.557359 0.875078 0.695158 -0.0685569  -0.140674   0.0165869   67  PHE   B O    
770  C CB   . PHE   A 55  ? 0.424137 0.767838 0.612762 -0.0190267  -0.120869   0.0335285   67  PHE   B CB   
771  H H    . PHE   A 55  ? 0.588348 0.869689 0.675877 -0.025779   -0.155592   0.037414    67  PHE   B H    
772  H HA   . PHE   A 55  ? 0.500426 0.773046 0.61691  -0.0240838  -0.102498   0.0300475   67  PHE   B HA   
775  N N    . ASP   A 56  ? 0.503877 0.751063 0.579444 -0.0645548  -0.109787   0.0137505   68  ASP   B N    
776  C CA   . ASP   A 56  ? 0.487052 0.714601 0.536672 -0.0867673  -0.112538   0.0021959   68  ASP   B CA   
777  C C    . ASP   A 56  ? 0.479771 0.698386 0.543069 -0.0984675  -0.0913085  -0.00380438 68  ASP   B C    
778  O O    . ASP   A 56  ? 0.408258 0.611654 0.469967 -0.088274   -0.0707884  0.00034466  68  ASP   B O    
779  C CB   . ASP   A 56  ? 0.493726 0.678688 0.489342 -0.0846711  -0.10738    -0.00012459 68  ASP   B CB   
780  C CG   . ASP   A 56  ? 0.52547  0.679749 0.488569 -0.102497   -0.101378   -0.014073   68  ASP   B CG   
781  O OD1  . ASP   A 56  ? 0.563639 0.723528 0.522964 -0.120296   -0.116439   -0.0235524  68  ASP   B OD1  
782  O OD2  . ASP   A 56  ? 0.559698 0.683452 0.499228 -0.0978912  -0.0826016  -0.0160818  68  ASP   B OD2  
783  H H    . ASP   A 56  ? 0.483184 0.713418 0.547969 -0.0553492  -0.0973245  0.0165596   68  ASP   B H    
784  H HA   . ASP   A 56  ? 0.509797 0.754905 0.566631 -0.0958201  -0.129732   -0.00039998 68  ASP   B HA   
785  H HB2  . ASP   A 56  ? 0.510579 0.697042 0.491376 -0.0799558  -0.121202   0.00409585  68  ASP   B HB2  
786  H HB3  . ASP   A 56  ? 0.480642 0.654697 0.474716 -0.0743556  -0.0933896  0.00412339  68  ASP   B HB3  
787  N N    . SER   A 57  ? 0.515392 0.737145 0.585834 -0.121152   -0.0967778  -0.0135378  69  SER   B N    
788  C CA   . SER   A 57  ? 0.520375 0.73118  0.605266 -0.13366    -0.0771988  -0.0169391  69  SER   B CA   
789  C C    . SER   A 57  ? 0.560118 0.74066  0.621261 -0.157238   -0.0799769  -0.0312939  69  SER   B C    
790  O O    . SER   A 57  ? 0.54805  0.737772 0.602727 -0.171951   -0.101504   -0.0398151  69  SER   B O    
791  C CB   . SER   A 57  ? 0.598196 0.853241 0.737313 -0.13935    -0.0748352  -0.011715   69  SER   B CB   
792  O OG   . SER   A 57  ? 0.578798 0.81783  0.725748 -0.154093   -0.0554604  -0.0132192  69  SER   B OG   
793  H H    . SER   A 57  ? 0.53179  0.760437 0.596395 -0.129764   -0.113157   -0.0178205  69  SER   B H    
794  H HA   . SER   A 57  ? 0.520177 0.711984 0.593823 -0.123184   -0.0620491  -0.0131667  69  SER   B HA   
795  H HB2  . SER   A 57  ? 0.550447 0.821042 0.702986 -0.123166   -0.0701142  -0.00399004 69  SER   B HB2  
796  H HB3  . SER   A 57  ? 0.580813 0.859913 0.735956 -0.149135   -0.0912279  -0.014722   69  SER   B HB3  
798  N N    . SER   A 58  ? 0.513321 0.655385 0.558805 -0.159169   -0.0591284  -0.0338513  70  SER   B N    
799  C CA   . SER   A 58  ? 0.554883 0.660568 0.580914 -0.179848   -0.0564871  -0.047571   70  SER   B CA   
800  C C    . SER   A 58  ? 0.591632 0.720622 0.64898  -0.20719    -0.0680219  -0.0530143  70  SER   B C    
801  O O    . SER   A 58  ? 0.630878 0.73937  0.669043 -0.228446   -0.0789523  -0.0682423  70  SER   B O    
802  C CB   . SER   A 58  ? 0.544295 0.610277 0.56026  -0.175028   -0.0324462  -0.0452399  70  SER   B CB   
803  O OG   . SER   A 58  ? 0.475467 0.559575 0.520832 -0.166914   -0.0187098  -0.0302409  70  SER   B OG   
804  H H    . SER   A 58  ? 0.507766 0.644619 0.55418  -0.146502   -0.0465784  -0.0267196  70  SER   B H    
805  H HA   . SER   A 58  ? 0.575682 0.665506 0.572322 -0.180237   -0.0640623  -0.0557341  70  SER   B HA   
806  H HB2  . SER   A 58  ? 0.565402 0.609417 0.576022 -0.19043    -0.030823   -0.0533501  70  SER   B HB2  
807  H HB3  . SER   A 58  ? 0.536147 0.582788 0.527986 -0.162196   -0.027557   -0.0462267  70  SER   B HB3  
809  N N    . HIS   A 59  ? 0.591047 0.762264 0.695978 -0.207387   -0.064059   -0.0414722  71  HIS   B N    
810  C CA   . HIS   A 59  ? 0.574022 0.777711 0.719316 -0.234349   -0.073048   -0.0445432  71  HIS   B CA   
811  C C    . HIS   A 59  ? 0.617832 0.852095 0.766928 -0.245233   -0.104974   -0.0531624  71  HIS   B C    
812  O O    . HIS   A 59  ? 0.66507  0.904771 0.825928 -0.274621   -0.117227   -0.0634754  71  HIS   B O    
813  C CB   . HIS   A 59  ? 0.522013 0.769446 0.718786 -0.230416   -0.0587249  -0.0302111  71  HIS   B CB   
814  C CG   . HIS   A 59  ? 0.53951  0.753802 0.72728  -0.225849   -0.0294953  -0.0217219  71  HIS   B CG   
815  N ND1  . HIS   A 59  ? 0.585705 0.754663 0.757728 -0.245766   -0.0178284  -0.0256628  71  HIS   B ND1  
816  C CD2  . HIS   A 59  ? 0.519203 0.733424 0.70457  -0.202254   -0.0117411  -0.00948959 71  HIS   B CD2  
817  C CE1  . HIS   A 59  ? 0.605888 0.753552 0.770316 -0.2341     0.00543267  -0.0135066  71  HIS   B CE1  
818  N NE2  . HIS   A 59  ? 0.557073 0.731896 0.727653 -0.208504   0.00902411  -0.0044571  71  HIS   B NE2  
819  H H    . HIS   A 59  ? 0.551544 0.73203  0.664349 -0.191211   -0.0547694  -0.0320093  71  HIS   B H    
820  H HA   . HIS   A 59  ? 0.607575 0.780118 0.741319 -0.250304   -0.0665356  -0.0511294  71  HIS   B HA   
821  H HB2  . HIS   A 59  ? 0.508035 0.781414 0.714757 -0.212008   -0.0626971  -0.0240373  71  HIS   B HB2  
822  H HB3  . HIS   A 59  ? 0.542134 0.816075 0.769115 -0.249458   -0.065328   -0.0324198  71  HIS   B HB3  
824  H HD2  . HIS   A 59  ? 0.499891 0.735817 0.692069 -0.185153   -0.0135243  -0.00492178 71  HIS   B HD2  
825  H HE1  . HIS   A 59  ? 0.616731 0.731607 0.769919 -0.242388   0.0165754   -0.0117773  71  HIS   B HE1  
827  N N    . ASP   A 60  ? 0.64142  0.892332 0.777792 -0.223433   -0.119681   -0.0486321  72  ASP   B N    
828  C CA   . ASP   A 60  ? 0.78754  1.06075  0.916412 -0.231962   -0.152709   -0.0551088  72  ASP   B CA   
829  C C    . ASP   A 60  ? 0.891265 1.11811  0.969914 -0.255567   -0.161858   -0.0747465  72  ASP   B C    
830  O O    . ASP   A 60  ? 0.932101 1.17355  1.00091  -0.271385   -0.190591   -0.0834589  72  ASP   B O    
831  C CB   . ASP   A 60  ? 0.795178 1.07785  0.903731 -0.204752   -0.165958   -0.0459809  72  ASP   B CB   
832  C CG   . ASP   A 60  ? 0.787073 1.10675  0.933257 -0.176613   -0.160429   -0.0285276  72  ASP   B CG   
833  O OD1  . ASP   A 60  ? 0.658799 1.02845  0.863394 -0.180131   -0.162589   -0.0234021  72  ASP   B OD1  
834  O OD2  . ASP   A 60  ? 0.653486 0.951297 0.769876 -0.151976   -0.153744   -0.0209621  72  ASP   B OD2  
835  H H    . ASP   A 60  ? 0.632456 0.879713 0.763437 -0.203509   -0.109774   -0.0407732  72  ASP   B H    
836  H HA   . ASP   A 60  ? 0.77053  1.08425  0.940001 -0.242085   -0.16307    -0.0531202  72  ASP   B HA   
837  H HB2  . ASP   A 60  ? 0.80267  1.04738  0.87084  -0.197623   -0.156835   -0.0487809  72  ASP   B HB2  
838  H HB3  . ASP   A 60  ? 0.81993  1.11768  0.923702 -0.212829   -0.189271   -0.0495171  72  ASP   B HB3  
839  N N    . ARG   A 61  ? 0.935363 1.10455  0.979757 -0.257055   -0.138145   -0.0824417  73  ARG   B N    
840  C CA   . ARG   A 61  ? 0.935742 1.05467  0.931717 -0.27708    -0.141916   -0.103254   73  ARG   B CA   
841  C C    . ARG   A 61  ? 0.913195 1.0029   0.922107 -0.301972   -0.127806   -0.111899   73  ARG   B C    
842  O O    . ARG   A 61  ? 0.91638  0.955304 0.885842 -0.318495   -0.126757   -0.130648   73  ARG   B O    
843  C CB   . ARG   A 61  ? 0.923938 0.995733 0.863163 -0.256173   -0.127787   -0.107229   73  ARG   B CB   
844  C CG   . ARG   A 61  ? 0.976461 1.0619   0.882743 -0.246197   -0.148536   -0.106428   73  ARG   B CG   
845  C CD   . ARG   A 61  ? 0.928108 1.04137  0.846383 -0.216831   -0.146692   -0.086195   73  ARG   B CD   
846  N NE   . ARG   A 61  ? 0.945614 1.03069  0.860106 -0.198096   -0.115646   -0.0805566  73  ARG   B NE   
847  C CZ   . ARG   A 61  ? 0.88808  0.983663 0.814369 -0.173779   -0.103681   -0.0648683  73  ARG   B CZ   
848  N NH1  . ARG   A 61  ? 0.869807 0.997708 0.80635  -0.160967   -0.118293   -0.0524139  73  ARG   B NH1  
849  N NH2  . ARG   A 61  ? 0.806725 0.876536 0.731231 -0.162372   -0.0781763  -0.062247   73  ARG   B NH2  
850  H H    . ARG   A 61  ? 0.884521 1.04449  0.934269 -0.243812   -0.11944    -0.074784   73  ARG   B H    
851  H HA   . ARG   A 61  ? 0.956394 1.09162  0.946695 -0.289426   -0.164689   -0.109788   73  ARG   B HA   
852  H HB2  . ARG   A 61  ? 0.906943 0.976746 0.856618 -0.238712   -0.110571   -0.0966156  73  ARG   B HB2  
853  H HB3  . ARG   A 61  ? 0.971682 1.00404  0.884055 -0.266633   -0.121059   -0.120723   73  ARG   B HB3  
854  H HG2  . ARG   A 61  ? 0.995296 1.04483  0.858362 -0.246705   -0.143368   -0.117266   73  ARG   B HG2  
855  H HG3  . ARG   A 61  ? 0.983503 1.0918   0.89735  -0.260947   -0.170651   -0.11013    73  ARG   B HG3  
856  H HD2  . ARG   A 61  ? 0.954406 1.06497  0.842459 -0.212236   -0.157692   -0.0865362  73  ARG   B HD2  
857  H HD3  . ARG   A 61  ? 0.915002 1.06582  0.873024 -0.215031   -0.154485   -0.0765801  73  ARG   B HD3  
858  H HE   . ARG   A 61  ? 0.944925 1.00112  0.8463   -0.20372    -0.104129   -0.0890064  73  ARG   B HE   
859  H HH11 . ARG   A 61  ? 0.88816  1.01806  0.804405 -0.162801   -0.132593   -0.0539602  73  ARG   B HH11 
860  H HH12 . ARG   A 61  ? 0.839506 0.985045 0.801587 -0.150229   -0.113675   -0.0424908  73  ARG   B HH12 
861  H HH21 . ARG   A 61  ? 0.838068 0.885199 0.757384 -0.169522   -0.0688874  -0.0694381  73  ARG   B HH21 
862  H HH22 . ARG   A 61  ? 0.798976 0.873995 0.727446 -0.147586   -0.0714361  -0.0530924  73  ARG   B HH22 
863  N N    . ASN   A 62  ? 0.821501 0.941061 0.883518 -0.305316   -0.116322   -0.0984135  74  ASN   B N    
864  C CA   . ASN   A 62  ? 0.840132 0.938937 0.920736 -0.332981   -0.104884   -0.10277    74  ASN   B CA   
865  C C    . ASN   A 62  ? 0.880744 0.901441 0.915828 -0.328918   -0.0820874  -0.110662   74  ASN   B C    
866  O O    . ASN   A 62  ? 0.965473 0.946192 0.992394 -0.355087   -0.0785696  -0.122387   74  ASN   B O    
867  C CB   . ASN   A 62  ? 0.791834 0.915797 0.891551 -0.370513   -0.131791   -0.116194   74  ASN   B CB   
868  H H    . ASN   A 62  ? 0.79976  0.952314 0.885865 -0.290125   -0.114625   -0.0858624  74  ASN   B H    
869  H HA   . ASN   A 62  ? 0.797887 0.921733 0.913233 -0.328542   -0.0936768  -0.0894637  74  ASN   B HA   
872  N N    . GLU   A 63  ? 0.858588 0.856693 0.866246 -0.296446   -0.0667268  -0.104259   75  GLU   B N    
873  C CA   . GLU   A 63  ? 0.884238 0.814717 0.856383 -0.288006   -0.0450834  -0.109874   75  GLU   B CA   
874  C C    . GLU   A 63  ? 0.806488 0.737531 0.77436  -0.252002   -0.0277904  -0.0940607  75  GLU   B C    
875  O O    . GLU   A 63  ? 0.744366 0.714934 0.718347 -0.234216   -0.0350493  -0.0856408  75  GLU   B O    
876  C CB   . GLU   A 63  ? 0.939059 0.819168 0.857355 -0.293066   -0.0497935  -0.13396    75  GLU   B CB   
877  C CG   . GLU   A 63  ? 0.96494  0.856638 0.850936 -0.271123   -0.0567412  -0.13707    75  GLU   B CG   
878  C CD   . GLU   A 63  ? 1.05025  0.900755 0.879012 -0.278617   -0.0627677  -0.162126   75  GLU   B CD   
879  O OE1  . GLU   A 63  ? 1.05573  0.914217 0.855153 -0.261671   -0.0654581  -0.162943   75  GLU   B OE1  
880  O OE2  . GLU   A 63  ? 1.10028  0.907186 0.909078 -0.301543   -0.0633809  -0.181551   75  GLU   B OE2  
881  H H    . GLU   A 63  ? 0.825357 0.851116 0.83858  -0.279183   -0.069878   -0.0959684  75  GLU   B H    
882  H HA   . GLU   A 63  ? 0.894528 0.808524 0.880183 -0.301473   -0.0364335  -0.107678   75  GLU   B HA   
883  H HB2  . GLU   A 63  ? 0.969108 0.805208 0.872136 -0.288316   -0.0338881  -0.13701    75  GLU   B HB2  
884  H HB3  . GLU   A 63  ? 0.97936  0.859334 0.896697 -0.317138   -0.0635467  -0.14553    75  GLU   B HB3  
885  H HG2  . GLU   A 63  ? 0.935958 0.871293 0.839765 -0.271549   -0.0714197  -0.130074   75  GLU   B HG2  
886  H HG3  . GLU   A 63  ? 0.935576 0.821898 0.820313 -0.249126   -0.0421579  -0.127701   75  GLU   B HG3  
887  N N    . PRO   A 64  ? 0.795071 0.681417 0.752855 -0.240824   -0.00593468 -0.0890165  76  PRO   B N    
888  C CA   . PRO   A 64  ? 0.74881  0.635336 0.7025   -0.20839    0.00832619  -0.0748513  76  PRO   B CA   
889  C C    . PRO   A 64  ? 0.761753 0.643285 0.683581 -0.189332   0.00604882  -0.083624   76  PRO   B C    
890  O O    . PRO   A 64  ? 0.768329 0.624179 0.659271 -0.198702   0.00050707  -0.103007   76  PRO   B O    
891  C CB   . PRO   A 64  ? 0.80231  0.634674 0.747588 -0.204776   0.0275324   -0.0712679  76  PRO   B CB   
892  C CG   . PRO   A 64  ? 0.877601 0.694735 0.836534 -0.23692    0.0257834   -0.0748221  76  PRO   B CG   
893  C CD   . PRO   A 64  ? 0.900257 0.733801 0.852222 -0.25931    0.00467898  -0.0949514  76  PRO   B CD   
894  H HA   . PRO   A 64  ? 0.722728 0.643764 0.6995   -0.202876   0.00792033  -0.0618069  76  PRO   B HA   
895  H HB2  . PRO   A 64  ? 0.829136 0.629034 0.750015 -0.196989   0.0320116   -0.0814356  76  PRO   B HB2  
896  H HB3  . PRO   A 64  ? 0.779978 0.620483 0.735725 -0.190424   0.0359438   -0.0563909  76  PRO   B HB3  
897  H HG2  . PRO   A 64  ? 0.905367 0.676649 0.850746 -0.238928   0.0352219   -0.0779096  76  PRO   B HG2  
898  H HG3  . PRO   A 64  ? 0.848382 0.691843 0.83273  -0.24163    0.0277599   -0.0617074  76  PRO   B HG3  
899  H HD2  . PRO   A 64  ? 0.923182 0.71968  0.846569 -0.261564   0.00484683  -0.110122   76  PRO   B HD2  
900  H HD3  . PRO   A 64  ? 0.896029 0.743113 0.868238 -0.281601   -0.00135472 -0.0949662  76  PRO   B HD3  
901  N N    . PHE   A 65  ? 0.670363 0.576724 0.598394 -0.1651     0.0105485   -0.0697642  77  PHE   B N    
902  C CA   . PHE   A 65  ? 0.655731 0.56098  0.558026 -0.147003   0.0117977   -0.0740296  77  PHE   B CA   
903  C C    . PHE   A 65  ? 0.664862 0.533807 0.556665 -0.128411   0.0316756   -0.0730306  77  PHE   B C    
904  O O    . PHE   A 65  ? 0.588451 0.455917 0.498883 -0.117404   0.0412159   -0.0581257  77  PHE   B O    
905  C CB   . PHE   A 65  ? 0.622063 0.572304 0.536553 -0.133789   0.00403788  -0.0607175  77  PHE   B CB   
906  C CG   . PHE   A 65  ? 0.613185 0.560407 0.500844 -0.118283   0.00713203  -0.0634242  77  PHE   B CG   
907  C CD1  . PHE   A 65  ? 0.709027 0.649879 0.564159 -0.125966   -0.00172692 -0.0769775  77  PHE   B CD1  
908  C CD2  . PHE   A 65  ? 0.627766 0.576066 0.520581 -0.0980368  0.0200167   -0.052875   77  PHE   B CD2  
909  C CE1  . PHE   A 65  ? 0.702052 0.63861  0.530713 -0.113257   0.00532259  -0.0784589  77  PHE   B CE1  
910  C CE2  . PHE   A 65  ? 0.682157 0.629813 0.554777 -0.0863298  0.0253951   -0.0547974  77  PHE   B CE2  
911  C CZ   . PHE   A 65  ? 0.672624 0.614905 0.513446 -0.0939572  0.019385    -0.0668575  77  PHE   B CZ   
912  H H    . PHE   A 65  ? 0.654378 0.578711 0.602975 -0.160823   0.0135518   -0.0572289  77  PHE   B H    
913  H HA   . PHE   A 65  ? 0.686484 0.58206  0.568012 -0.156449   0.00482664  -0.0874624  77  PHE   B HA   
914  H HB2  . PHE   A 65  ? 0.614642 0.587219 0.537079 -0.143995   -0.00926843 -0.0615337  77  PHE   B HB2  
915  H HB3  . PHE   A 65  ? 0.593633 0.553317 0.526532 -0.125784   0.0102344   -0.0488261  77  PHE   B HB3  
916  H HD1  . PHE   A 65  ? 0.711023 0.651318 0.561121 -0.140814   -0.012574   -0.0848548  77  PHE   B HD1  
917  H HD2  . PHE   A 65  ? 0.61363  0.564748 0.524187 -0.0931189  0.0249596   -0.0437529  77  PHE   B HD2  
918  H HE1  . PHE   A 65  ? 0.727816 0.659823 0.530759 -0.118995   -0.00020513 -0.0866484  77  PHE   B HE1  
919  H HE2  . PHE   A 65  ? 0.641268 0.593631 0.521361 -0.0741447  0.0328496   -0.0472391  77  PHE   B HE2  
920  H HZ   . PHE   A 65  ? 0.683261 0.625094 0.509369 -0.0870628  0.0250382   -0.0674693  77  PHE   B HZ   
921  N N    . VAL   A 66  ? 0.662959 0.502247 0.523613 -0.125005   0.0376808   -0.0895779  78  VAL   B N    
922  C CA   . VAL   A 66  ? 0.709283 0.510453 0.562448 -0.107956   0.056883    -0.0924428  78  VAL   B CA   
923  C C    . VAL   A 66  ? 0.713859 0.526559 0.553581 -0.0880942  0.0653219   -0.0942759  78  VAL   B C    
924  O O    . VAL   A 66  ? 0.723954 0.542416 0.537058 -0.0949844  0.0601032   -0.106396   78  VAL   B O    
925  C CB   . VAL   A 66  ? 0.799824 0.547145 0.629481 -0.121444   0.061991    -0.113335   78  VAL   B CB   
926  C CG1  . VAL   A 66  ? 0.853605 0.558264 0.675564 -0.0994219  0.0831243   -0.117957   78  VAL   B CG1  
927  C CG2  . VAL   A 66  ? 0.838978 0.573952 0.683603 -0.145875   0.054196    -0.111197   78  VAL   B CG2  
928  H H    . VAL   A 66  ? 0.689951 0.533196 0.533436 -0.132532   0.0299671   -0.0991883  78  VAL   B H    
929  H HA   . VAL   A 66  ? 0.695123 0.497559 0.567434 -0.100792   0.0612679   -0.0793963  78  VAL   B HA   
930  H HB   . VAL   A 66  ? 0.821389 0.568543 0.628664 -0.129783   0.0563806   -0.126886   78  VAL   B HB   
931  H HG11 . VAL   A 66  ? 0.827595 0.536161 0.670265 -0.0882096  0.0873428   -0.102711   78  VAL   B HG11 
932  H HG12 . VAL   A 66  ? 0.845429 0.55713  0.655963 -0.0876954  0.0890451   -0.123271   78  VAL   B HG12 
933  H HG13 . VAL   A 66  ? 0.89358  0.55987  0.701366 -0.108268   0.086474    -0.130751   78  VAL   B HG13 
934  H HG21 . VAL   A 66  ? 0.877119 0.571493 0.707137 -0.152608   0.0594857   -0.123336   78  VAL   B HG21 
935  H HG22 . VAL   A 66  ? 0.823245 0.582796 0.670443 -0.161209   0.0405823   -0.113377   78  VAL   B HG22 
936  H HG23 . VAL   A 66  ? 0.809786 0.552831 0.675808 -0.139769   0.0577716   -0.0953642  78  VAL   B HG23 
937  N N    . PHE   A 67  ? 0.675259 0.489509 0.531544 -0.0653895  0.0781929   -0.0827567  79  PHE   B N    
938  C CA   . PHE   A 67  ? 0.665974 0.494819 0.517019 -0.0474266  0.088636    -0.0834708  79  PHE   B CA   
939  C C    . PHE   A 67  ? 0.709013 0.527926 0.580997 -0.0233217  0.103738    -0.0753315  79  PHE   B C    
940  O O    . PHE   A 67  ? 0.660217 0.467094 0.550333 -0.0195633  0.102534    -0.0636536  79  PHE   B O    
941  C CB   . PHE   A 67  ? 0.619115 0.494742 0.479504 -0.0467962  0.0782278   -0.0696268  79  PHE   B CB   
942  C CG   . PHE   A 67  ? 0.574481 0.473771 0.466651 -0.0371368  0.0746276   -0.0484615  79  PHE   B CG   
943  C CD1  . PHE   A 67  ? 0.587252 0.490949 0.493543 -0.0466994  0.0648764   -0.0391892  79  PHE   B CD1  
944  C CD2  . PHE   A 67  ? 0.542925 0.462968 0.449156 -0.0205119  0.0807741   -0.0385131  79  PHE   B CD2  
945  C CE1  . PHE   A 67  ? 0.526512 0.450026 0.454219 -0.0383171  0.062602    -0.0211939  79  PHE   B CE1  
946  C CE2  . PHE   A 67  ? 0.491377 0.430446 0.420611 -0.0133616  0.0756115   -0.0210183  79  PHE   B CE2  
947  C CZ   . PHE   A 67  ? 0.494748 0.434239 0.43101  -0.022192   0.0666203   -0.0129569  79  PHE   B CZ   
948  H H    . PHE   A 67  ? 0.675759 0.483104 0.547667 -0.0616912  0.0802348   -0.0736158  79  PHE   B H    
949  H HA   . PHE   A 67  ? 0.704057 0.518438 0.531203 -0.0510742  0.0931313   -0.0984202  79  PHE   B HA   
950  H HB2  . PHE   A 67  ? 0.620125 0.502631 0.471576 -0.040029   0.0850689   -0.0727606  79  PHE   B HB2  
951  H HB3  . PHE   A 67  ? 0.617421 0.500649 0.469127 -0.0603278  0.0666762   -0.0720836  79  PHE   B HB3  
952  H HD1  . PHE   A 67  ? 0.588997 0.483026 0.48973  -0.05973    0.0601216   -0.0454352  79  PHE   B HD1  
953  H HD2  . PHE   A 67  ? 0.550125 0.47052  0.449955 -0.0144616  0.0891768   -0.0442969  79  PHE   B HD2  
954  H HE1  . PHE   A 67  ? 0.523126 0.449541 0.458685 -0.0447972  0.0583753   -0.0152788  79  PHE   B HE1  
955  H HE2  . PHE   A 67  ? 0.485731 0.439601 0.424697 -0.00378891 0.0781078   -0.0150031  79  PHE   B HE2  
956  H HZ   . PHE   A 67  ? 0.476884 0.427759 0.42433  -0.0175387  0.0639454   -0.00187497 79  PHE   B HZ   
957  N N    . SER   A 68  ? 0.711984 0.537948 0.581314 -0.00729272 0.117932    -0.0808555  80  SER   B N    
958  C CA   . SER   A 68  ? 0.690439 0.516802 0.584763 0.0180869   0.131598    -0.0737037  80  SER   B CA   
959  C C    . SER   A 68  ? 0.638295 0.5138   0.559012 0.0257568   0.125132    -0.0543183  80  SER   B C    
960  O O    . SER   A 68  ? 0.597442 0.501115 0.511137 0.0204257   0.124469    -0.0552731  80  SER   B O    
961  C CB   . SER   A 68  ? 0.746006 0.556831 0.627183 0.0310121   0.153213    -0.0922825  80  SER   B CB   
962  O OG   . SER   A 68  ? 0.82001  0.579256 0.670919 0.0229439   0.159405    -0.113455   80  SER   B OG   
963  H H    . SER   A 68  ? 0.713513 0.546275 0.565175 -0.0127441  0.119007    -0.0891279  80  SER   B H    
964  H HA   . SER   A 68  ? 0.709381 0.514262 0.612437 0.0218921   0.130936    -0.0690222  80  SER   B HA   
965  H HB2  . SER   A 68  ? 0.736978 0.569044 0.607952 0.0265576   0.154973    -0.0955171  80  SER   B HB2  
966  H HB3  . SER   A 68  ? 0.745668 0.560893 0.64911  0.0494492   0.161675    -0.0865391  80  SER   B HB3  
968  N N    . LEU   A 69  ? 0.624086 0.50628  0.571511 0.0370634   0.119932    -0.0367944  81  LEU   B N    
969  C CA   . LEU   A 69  ? 0.550427 0.474822 0.519787 0.0414617   0.110712    -0.0192697  81  LEU   B CA   
970  C C    . LEU   A 69  ? 0.619885 0.574344 0.607947 0.0560966   0.12137     -0.0192754  81  LEU   B C    
971  O O    . LEU   A 69  ? 0.616359 0.562431 0.61796  0.0744313   0.135968    -0.0244846  81  LEU   B O    
972  C CB   . LEU   A 69  ? 0.587181 0.503798 0.572779 0.0490453   0.10239     -0.00193234 81  LEU   B CB   
973  C CG   . LEU   A 69  ? 0.587531 0.540607 0.589396 0.0508313   0.0893685   0.0162177   81  LEU   B CG   
974  C CD1  . LEU   A 69  ? 0.572779 0.537893 0.560901 0.0318477   0.0784549   0.0177727   81  LEU   B CD1  
975  C CD2  . LEU   A 69  ? 0.635897 0.581052 0.649639 0.0618233   0.0825087   0.0337884   81  LEU   B CD2  
976  H H    . LEU   A 69  ? 0.637078 0.494415 0.587022 0.0416992   0.121748    -0.0356808  81  LEU   B H    
977  H HA   . LEU   A 69  ? 0.558556 0.495915 0.518416 0.028299    0.102387    -0.0184598  81  LEU   B HA   
978  H HB2  . LEU   A 69  ? 0.594806 0.491523 0.568649 0.0383146   0.0986556   -0.00297257 81  LEU   B HB2  
979  H HB3  . LEU   A 69  ? 0.606781 0.509487 0.602154 0.063574    0.109549    -0.00150966 81  LEU   B HB3  
980  H HG   . LEU   A 69  ? 0.578285 0.55474  0.591551 0.0569722   0.0918746   0.0160965   81  LEU   B HG   
981  H HD11 . LEU   A 69  ? 0.566809 0.535856 0.544933 0.0243134   0.0805495   0.00823503  81  LEU   B HD11 
982  H HD12 . LEU   A 69  ? 0.549044 0.5353   0.544815 0.0332405   0.0715881   0.0267669   81  LEU   B HD12 
983  H HD13 . LEU   A 69  ? 0.578544 0.526217 0.559836 0.0255272   0.0761421   0.019392    81  LEU   B HD13 
984  H HD21 . LEU   A 69  ? 0.636184 0.579735 0.663982 0.0772021   0.087129    0.0358107   81  LEU   B HD21 
985  H HD22 . LEU   A 69  ? 0.637918 0.557488 0.640824 0.0559123   0.0825459   0.0342447   81  LEU   B HD22 
986  H HD23 . LEU   A 69  ? 0.598667 0.565164 0.615959 0.0592855   0.0733803   0.0429132   81  LEU   B HD23 
987  N N    . GLY   A 70  ? 0.63866  0.628842 0.629283 0.0475033   0.114635    -0.0132582  82  GLY   B N    
988  C CA   . GLY   A 70  ? 0.641351 0.666535 0.650872 0.0544403   0.123276    -0.011447   82  GLY   B CA   
989  C C    . GLY   A 70  ? 0.738254 0.759716 0.734363 0.0559965   0.14452     -0.0280601  82  GLY   B C    
990  O O    . GLY   A 70  ? 0.765129 0.813061 0.78592  0.0674969   0.15773     -0.0273411  82  GLY   B O    
991  H H    . GLY   A 70  ? 0.610456 0.60286  0.591362 0.0361526   0.104381    -0.00991434 82  GLY   B H    
992  H HA2  . GLY   A 70  ? 0.627706 0.671619 0.635844 0.0448818   0.114799    -0.0053431  82  GLY   B HA2  
993  H HA3  . GLY   A 70  ? 0.649279 0.684864 0.683815 0.067727    0.123464    -0.00402114 82  GLY   B HA3  
994  N N    . LYS   A 71  ? 0.696325 0.686485 0.654488 0.0448263   0.148492    -0.0433703  83  LYS   B N    
995  C CA   . LYS   A 71  ? 0.725394 0.705583 0.659522 0.044508    0.16884     -0.0611164  83  LYS   B CA   
996  C C    . LYS   A 71  ? 0.78497  0.777397 0.687575 0.0241569   0.163839    -0.0614181  83  LYS   B C    
997  O O    . LYS   A 71  ? 0.941258 0.919488 0.808393 0.0175828   0.176199    -0.075954   83  LYS   B O    
998  C CB   . LYS   A 71  ? 0.78616  0.71695  0.69676  0.0470347   0.175602    -0.0788666  83  LYS   B CB   
999  H H    . LYS   A 71  ? 0.706769 0.681817 0.652464 0.0361452   0.137545    -0.0428152  83  LYS   B H    
1000 H HA   . LYS   A 71  ? 0.74409  0.741858 0.699504 0.0569002   0.182018    -0.0605522  83  LYS   B HA   
1003 N N    . GLY   A 72  ? 0.730817 0.745845 0.64278  0.014706    0.145453    -0.0452398  84  GLY   B N    
1004 C CA   . GLY   A 72  ? 0.820432 0.841583 0.703503 -0.00290577 0.136754    -0.0421346  84  GLY   B CA   
1005 C C    . GLY   A 72  ? 0.759149 0.750787 0.599115 -0.0158962  0.128686    -0.0539467  84  GLY   B C    
1006 O O    . GLY   A 72  ? 0.796801 0.786967 0.603019 -0.0272065  0.128716    -0.0564292  84  GLY   B O    
1007 H H    . GLY   A 72  ? 0.730455 0.755521 0.666323 0.0201223   0.138043    -0.035697   84  GLY   B H    
1008 H HA2  . GLY   A 72  ? 0.74825  0.781692 0.643434 -0.00610285 0.123565    -0.0307481  84  GLY   B HA2  
1009 H HA3  . GLY   A 72  ? 0.784909 0.81862  0.664663 -0.00362018 0.148751    -0.042669   84  GLY   B HA3  
1010 N N    . GLN   A 73  ? 0.677036 0.646449 0.51791  -0.0165288  0.118895    -0.0591628  85  GLN   B N    
1011 C CA   . GLN   A 73  ? 0.638576 0.585596 0.445853 -0.0314791  0.106745    -0.0694966  85  GLN   B CA   
1012 C C    . GLN   A 73  ? 0.616506 0.578336 0.430694 -0.0412887  0.0825556   -0.0563988  85  GLN   B C    
1013 O O    . GLN   A 73  ? 0.623977 0.580218 0.413688 -0.0544636  0.0683024   -0.060525   85  GLN   B O    
1014 C CB   . GLN   A 73  ? 0.709176 0.623401 0.516032 -0.0302913  0.109491    -0.0827327  85  GLN   B CB   
1015 C CG   . GLN   A 73  ? 0.792599 0.685079 0.590759 -0.0180339  0.134315    -0.0985797  85  GLN   B CG   
1016 C CD   . GLN   A 73  ? 0.864267 0.717814 0.664641 -0.0146874  0.137823    -0.10994    85  GLN   B CD   
1017 O OE1  . GLN   A 73  ? 0.798119 0.641261 0.605483 -0.0246348  0.122046    -0.105844   85  GLN   B OE1  
1018 N NE2  . GLN   A 73  ? 0.989876 0.820133 0.783356 -0.00095009 0.160496    -0.124911   85  GLN   B NE2  
1019 H H    . GLN   A 73  ? 0.668775 0.637683 0.53265  -0.00810166 0.119434    -0.0555968  85  GLN   B H    
1020 H HA   . GLN   A 73  ? 0.686572 0.629106 0.465632 -0.0369128  0.111869    -0.0766334  85  GLN   B HA   
1021 H HB2  . GLN   A 73  ? 0.685765 0.603311 0.518119 -0.025413   0.104986    -0.0741748  85  GLN   B HB2  
1022 H HB3  . GLN   A 73  ? 0.723861 0.62642  0.510485 -0.0427633  0.0992838   -0.0894141  85  GLN   B HB3  
1023 H HG2  . GLN   A 73  ? 0.819309 0.705234 0.587052 -0.0242733  0.139656    -0.10877    85  GLN   B HG2  
1024 H HG3  . GLN   A 73  ? 0.775323 0.685036 0.595939 -0.00560498 0.144081    -0.0915016  85  GLN   B HG3  
1025 H HE21 . GLN   A 73  ? 0.983562 0.786979 0.778286 0.00286151  0.164156    -0.131611   85  GLN   B HE21 
1026 H HE22 . GLN   A 73  ? 0.968504 0.809317 0.7564   0.00467886  0.17284     -0.128262   85  GLN   B HE22 
1027 N N    . VAL   A 74  ? 0.504915 0.487346 0.351654 -0.0341466  0.0778635   -0.0409024  86  VAL   B N    
1028 C CA   . VAL   A 74  ? 0.480438 0.477591 0.336883 -0.0394403  0.0592847   -0.0289418  86  VAL   B CA   
1029 C C    . VAL   A 74  ? 0.423558 0.4422   0.292551 -0.0345716  0.0597958   -0.0156726  86  VAL   B C    
1030 O O    . VAL   A 74  ? 0.446    0.471648 0.323238 -0.0279064  0.0738339   -0.0152138  86  VAL   B O    
1031 C CB   . VAL   A 74  ? 0.463875 0.458073 0.34552  -0.0367667  0.0543651   -0.0250577  86  VAL   B CB   
1032 C CG1  . VAL   A 74  ? 0.511297 0.485315 0.381968 -0.047343   0.0498172   -0.0366055  86  VAL   B CG1  
1033 C CG2  . VAL   A 74  ? 0.447096 0.440113 0.351093 -0.0227457  0.0667835   -0.0209668  86  VAL   B CG2  
1034 H H    . VAL   A 74  ? 0.514926 0.502646 0.37852  -0.0248942  0.0869622   -0.0381181  86  VAL   B H    
1035 H HA   . VAL   A 74  ? 0.485738 0.480378 0.32437  -0.047893   0.0502998   -0.031696   86  VAL   B HA   
1036 H HB   . VAL   A 74  ? 0.444514 0.451753 0.335161 -0.0378087  0.0451976   -0.0165811  86  VAL   B HB   
1037 H HG11 . VAL   A 74  ? 0.530014 0.487207 0.388237 -0.0466096  0.0589454   -0.0466259  86  VAL   B HG11 
1038 H HG12 . VAL   A 74  ? 0.507921 0.487468 0.367707 -0.0557816  0.0393287   -0.0378007  86  VAL   B HG12 
1039 H HG13 . VAL   A 74  ? 0.496132 0.467988 0.382736 -0.0469524  0.048189    -0.0328471  86  VAL   B HG13 
1040 H HG21 . VAL   A 74  ? 0.437921 0.431279 0.355583 -0.0212403  0.0623573   -0.0148074  86  VAL   B HG21 
1041 H HG22 . VAL   A 74  ? 0.438181 0.445618 0.348261 -0.0180473  0.0696928   -0.0155855  86  VAL   B HG22 
1042 H HG23 . VAL   A 74  ? 0.472663 0.449916 0.37102  -0.0200095  0.0760005   -0.0296584  86  VAL   B HG23 
1043 N N    . ILE   A 75  ? 0.407419 0.436719 0.28121  -0.0375913  0.0449961   -0.00550558 87  ILE   B N    
1044 C CA   . ILE   A 75  ? 0.384487 0.427901 0.26727  -0.0352798  0.0440981   0.00575643  87  ILE   B CA   
1045 C C    . ILE   A 75  ? 0.385433 0.439209 0.296859 -0.0263353  0.0502346   0.0104071   87  ILE   B C    
1046 O O    . ILE   A 75  ? 0.376286 0.425359 0.301375 -0.0206368  0.0512729   0.00883591  87  ILE   B O    
1047 C CB   . ILE   A 75  ? 0.420817 0.467459 0.301648 -0.03792    0.027775    0.013885    87  ILE   B CB   
1048 C CG1  . ILE   A 75  ? 0.39393  0.442612 0.291668 -0.0353611  0.0200444   0.0135482   87  ILE   B CG1  
1049 C CG2  . ILE   A 75  ? 0.433265 0.472572 0.284509 -0.045264   0.0193939   0.0137502   87  ILE   B CG2  
1050 C CD1  . ILE   A 75  ? 0.383357 0.438985 0.287767 -0.0331862  0.00801094  0.0211519   87  ILE   B CD1  
1051 H H    . ILE   A 75  ? 0.406253 0.433459 0.278034 -0.0413375  0.035696    -0.00627403 87  ILE   B H    
1052 H HA   . ILE   A 75  ? 0.410772 0.454302 0.280745 -0.0381051  0.0502927   0.00513782  87  ILE   B HA   
1053 H HB   . ILE   A 75  ? 0.396722 0.448866 0.284327 -0.0363684  0.0278188   0.0202171   87  ILE   B HB   
1054 H HG12 . ILE   A 75  ? 0.408149 0.451831 0.29956  -0.0392743  0.0179818   0.00754145  87  ILE   B HG12 
1055 H HG13 . ILE   A 75  ? 0.38783  0.437785 0.299027 -0.0311927  0.0256901   0.0139597   87  ILE   B HG13 
1056 H HG21 . ILE   A 75  ? 0.431164 0.472394 0.283791 -0.0443929  0.009672    0.0201603   87  ILE   B HG21 
1057 H HG22 . ILE   A 75  ? 0.447709 0.482579 0.291886 -0.048095   0.0164832   0.00708896  87  ILE   B HG22 
1058 H HG23 . ILE   A 75  ? 0.45009  0.486774 0.287577 -0.0480716  0.0265517   0.0141813   87  ILE   B HG23 
1059 H HD11 . ILE   A 75  ? 0.375965 0.433007 0.282829 -0.0307257  0.00934212  0.0259653   87  ILE   B HD11 
1060 H HD12 . ILE   A 75  ? 0.37403  0.433413 0.291138 -0.0315398  0.0066049   0.0206662   87  ILE   B HD12 
1061 H HD13 . ILE   A 75  ? 0.393273 0.447554 0.286453 -0.0358239  0.00068778  0.0215977   87  ILE   B HD13 
1062 N N    . LYS   A 76  ? 0.363782 0.431441 0.283651 -0.0262533  0.0536505   0.0170613   88  LYS   B N    
1063 C CA   . LYS   A 76  ? 0.391909 0.474801 0.33944  -0.0190022  0.0560758   0.0224495   88  LYS   B CA   
1064 C C    . LYS   A 76  ? 0.357983 0.43786  0.314436 -0.0149466  0.0448681   0.0271303   88  LYS   B C    
1065 O O    . LYS   A 76  ? 0.335169 0.416978 0.307629 -0.00639415 0.0471263   0.0289281   88  LYS   B O    
1066 C CB   . LYS   A 76  ? 0.419214 0.518819 0.37396  -0.0250827  0.055808    0.0296486   88  LYS   B CB   
1067 H H    . LYS   A 76  ? 0.383964 0.451797 0.291528 -0.0318824  0.0535302   0.0188086   88  LYS   B H    
1068 H HA   . LYS   A 76  ? 0.391521 0.475598 0.347261 -0.0130996  0.0652555   0.0185126   88  LYS   B HA   
1071 N N    . ALA   A 77  ? 0.357142 0.431246 0.302626 -0.0196524  0.0341368   0.0293886   89  ALA   B N    
1072 C CA   . ALA   A 77  ? 0.356653 0.42941  0.308551 -0.0161327  0.0271797   0.0331475   89  ALA   B CA   
1073 C C    . ALA   A 77  ? 0.322045 0.386151 0.278737 -0.0127433  0.0308371   0.0307285   89  ALA   B C    
1074 O O    . ALA   A 77  ? 0.325442 0.388843 0.289534 -0.00827274 0.0300208   0.0359901   89  ALA   B O    
1075 C CB   . ALA   A 77  ? 0.343389 0.412921 0.286018 -0.0191186  0.0185346   0.0343329   89  ALA   B CB   
1076 H H    . ALA   A 77  ? 0.363195 0.434214 0.296842 -0.0243824  0.0319457   0.0288562   89  ALA   B H    
1077 H HA   . ALA   A 77  ? 0.340391 0.420034 0.300288 -0.0137265  0.0260292   0.0372963   89  ALA   B HA   
1078 H HB1  . ALA   A 77  ? 0.346845 0.417561 0.286149 -0.0209606  0.0158442   0.0368065   89  ALA   B HB1  
1079 H HB2  . ALA   A 77  ? 0.3523   0.418179 0.288104 -0.0216483  0.0174455   0.0313083   89  ALA   B HB2  
1080 H HB3  . ALA   A 77  ? 0.341985 0.411469 0.28861  -0.0165599  0.0168098   0.0357131   89  ALA   B HB3  
1081 N N    . TRP   A 78  ? 0.346059 0.400075 0.296287 -0.0156231  0.0355569   0.0229726   90  TRP   B N    
1082 C CA   . TRP   A 78  ? 0.326641 0.366704 0.28054  -0.0149452  0.0396492   0.0199908   90  TRP   B CA   
1083 C C    . TRP   A 78  ? 0.373999 0.408407 0.338402 -0.0046892  0.0482032   0.0218071   90  TRP   B C    
1084 O O    . TRP   A 78  ? 0.35536  0.378095 0.325623 -0.00102774 0.0493266   0.0263719   90  TRP   B O    
1085 C CB   . TRP   A 78  ? 0.381587 0.410052 0.322372 -0.0237686  0.0397857   0.00904247  90  TRP   B CB   
1086 C CG   . TRP   A 78  ? 0.403114 0.437622 0.343939 -0.0322708  0.0297399   0.00909637  90  TRP   B CG   
1087 C CD1  . TRP   A 78  ? 0.374955 0.424897 0.319148 -0.0323985  0.0209621   0.014574    90  TRP   B CD1  
1088 C CD2  . TRP   A 78  ? 0.406524 0.431621 0.347959 -0.0419938  0.0281913   0.00241038  90  TRP   B CD2  
1089 N NE1  . TRP   A 78  ? 0.385642 0.441825 0.336836 -0.0392799  0.0146471   0.0125384   90  TRP   B NE1  
1090 C CE2  . TRP   A 78  ? 0.419843 0.462757 0.370207 -0.047273   0.0181436   0.00530067  90  TRP   B CE2  
1091 C CE3  . TRP   A 78  ? 0.402354 0.404801 0.339427 -0.046644   0.0346843   -0.00580418 90  TRP   B CE3  
1092 C CZ2  . TRP   A 78  ? 0.394109 0.439622 0.352987 -0.0591909  0.0134406   0.00070011  90  TRP   B CZ2  
1093 C CZ3  . TRP   A 78  ? 0.473917 0.472234 0.415162 -0.0602055  0.0299105   -0.0105284  90  TRP   B CZ3  
1094 C CH2  . TRP   A 78  ? 0.407162 0.430083 0.361139 -0.0672737  0.0191696   -0.00696298 90  TRP   B CH2  
1095 H H    . TRP   A 78  ? 0.343153 0.396818 0.284147 -0.0191252  0.0361108   0.0193005   90  TRP   B H    
1096 H HA   . TRP   A 78  ? 0.339853 0.381097 0.297882 -0.0156896  0.0361705   0.0244111   90  TRP   B HA   
1097 H HB2  . TRP   A 78  ? 0.383748 0.413796 0.31472  -0.0248639  0.0411761   0.00534939  90  TRP   B HB2  
1098 H HB3  . TRP   A 78  ? 0.392344 0.407279 0.33395  -0.0229692  0.0453456   0.00514756  90  TRP   B HB3  
1099 H HD1  . TRP   A 78  ? 0.370921 0.426475 0.314132 -0.0283279  0.0195861   0.0189006   90  TRP   B HD1  
1100 H HE1  . TRP   A 78  ? 0.3796   0.446419 0.335943 -0.0387028  0.00932894  0.015058    90  TRP   B HE1  
1101 H HE3  . TRP   A 78  ? 0.431287 0.421658 0.364797 -0.0407697  0.0423112   -0.00785542 90  TRP   B HE3  
1102 H HZ2  . TRP   A 78  ? 0.391651 0.453485 0.361415 -0.0613883  0.00738387  0.00304123  90  TRP   B HZ2  
1103 H HZ3  . TRP   A 78  ? 0.468171 0.447393 0.404559 -0.0651472  0.0338193   -0.0170424  90  TRP   B HZ3  
1104 H HH2  . TRP   A 78  ? 0.43095  0.454507 0.390749 -0.0778132  0.0156971   -0.0106566  90  TRP   B HH2  
1105 N N    . ASP   A 79  ? 0.361789 0.402922 0.328482 -0.00014079 0.0554127   0.0182508   91  ASP   B N    
1106 C CA   . ASP   A 79  ? 0.40136  0.443287 0.384892 0.0128898   0.0635733   0.0202963   91  ASP   B CA   
1107 C C    . ASP   A 79  ? 0.356696 0.411825 0.355524 0.019221    0.0545779   0.0340114   91  ASP   B C    
1108 O O    . ASP   A 79  ? 0.415978 0.462709 0.424984 0.0297225   0.0553463   0.0399886   91  ASP   B O    
1109 C CB   . ASP   A 79  ? 0.421583 0.476614 0.410121 0.0165664   0.0748244   0.0146256   91  ASP   B CB   
1110 C CG   . ASP   A 79  ? 0.417223 0.452681 0.386778 0.014319    0.0874939   -0.00050092 91  ASP   B CG   
1111 O OD1  . ASP   A 79  ? 0.436659 0.445118 0.395293 0.0127998   0.087794    -0.00713498 91  ASP   B OD1  
1112 O OD2  . ASP   A 79  ? 0.496803 0.542839 0.4611   0.0127987   0.0973093   -0.00562194 91  ASP   B OD2  
1113 H H    . ASP   A 79  ? 0.372106 0.418224 0.330423 -0.00491569 0.0556115   0.0150031   91  ASP   B H    
1114 H HA   . ASP   A 79  ? 0.407819 0.431346 0.389167 0.0155136   0.0678753   0.0166039   91  ASP   B HA   
1115 H HB2  . ASP   A 79  ? 0.399296 0.468254 0.385141 0.0102192   0.0712835   0.0169983   91  ASP   B HB2  
1116 H HB3  . ASP   A 79  ? 0.411432 0.475083 0.418342 0.0267024   0.0780331   0.0186009   91  ASP   B HB3  
1117 N N    . ILE   A 80  ? 0.327204 0.399064 0.324009 0.0127659   0.0453653   0.0389125   92  ILE   B N    
1118 C CA   . ILE   A 80  ? 0.322106 0.404377 0.326195 0.0164331   0.0352324   0.0499445   92  ILE   B CA   
1119 C C    . ILE   A 80  ? 0.363051 0.428739 0.355449 0.0155404   0.0314086   0.0549074   92  ILE   B C    
1120 O O    . ILE   A 80  ? 0.343202 0.406251 0.339652 0.0234067   0.0277054   0.0646805   92  ILE   B O    
1121 C CB   . ILE   A 80  ? 0.335962 0.43485  0.336722 0.00777478  0.027001    0.0512098   92  ILE   B CB   
1122 C CG1  . ILE   A 80  ? 0.330676 0.450297 0.347139 0.00663424  0.0310993   0.0498736   92  ILE   B CG1  
1123 C CG2  . ILE   A 80  ? 0.353945 0.458501 0.352584 0.00839366  0.0148694   0.0596134   92  ILE   B CG2  
1124 C CD1  . ILE   A 80  ? 0.336707 0.461332 0.342791 -0.00648823 0.0258786   0.0490013   92  ILE   B CD1  
1125 H H    . ILE   A 80  ? 0.3264   0.401266 0.315029 0.00589526  0.0448749   0.0353053   92  ILE   B H    
1126 H HA   . ILE   A 80  ? 0.337943 0.427059 0.356162 0.0247642   0.0362164   0.0536596   92  ILE   B HA   
1127 H HB   . ILE   A 80  ? 0.330609 0.422367 0.318979 0.0014719   0.0269298   0.047265    92  ILE   B HB   
1128 H HG12 . ILE   A 80  ? 0.334659 0.467501 0.366944 0.0121998   0.0280214   0.0549208   92  ILE   B HG12 
1129 H HG13 . ILE   A 80  ? 0.339293 0.455327 0.356662 0.00850517  0.0405867   0.0447155   92  ILE   B HG13 
1130 H HG21 . ILE   A 80  ? 0.344185 0.457572 0.341868 0.00260942  0.0100144   0.0591346   92  ILE   B HG21 
1131 H HG22 . ILE   A 80  ? 0.35377  0.464083 0.363382 0.015556    0.0130067   0.0649488   92  ILE   B HG22 
1132 H HG23 . ILE   A 80  ? 0.350462 0.443379 0.336666 0.00714612  0.0138663   0.0600706   92  ILE   B HG23 
1133 H HD11 . ILE   A 80  ? 0.333751 0.444956 0.324228 -0.0101612  0.0262502   0.045727    92  ILE   B HD11 
1134 H HD12 . ILE   A 80  ? 0.334728 0.470672 0.348962 -0.0094486  0.0311228   0.0479993   92  ILE   B HD12 
1135 H HD13 . ILE   A 80  ? 0.331422 0.460359 0.337828 -0.00840117 0.0170703   0.0528366   92  ILE   B HD13 
1136 N N    . GLY   A 81  ? 0.328047 0.385929 0.307379 0.00634481  0.0317322   0.0498505   93  GLY   B N    
1137 C CA   . GLY   A 81  ? 0.366366 0.414552 0.337503 0.00361249  0.0307822   0.054702    93  GLY   B CA   
1138 C C    . GLY   A 81  ? 0.339193 0.366736 0.311234 0.00490512  0.0373162   0.0573435   93  GLY   B C    
1139 O O    . GLY   A 81  ? 0.350549 0.369629 0.317585 0.00696971  0.0370367   0.0674382   93  GLY   B O    
1140 H H    . GLY   A 81  ? 0.337662 0.397642 0.313843 0.00182714  0.0327707   0.043977    93  GLY   B H    
1141 H HA2  . GLY   A 81  ? 0.347034 0.400237 0.315177 0.00594425  0.0261706   0.0607863   93  GLY   B HA2  
1142 H HA3  . GLY   A 81  ? 0.340981 0.391225 0.307738 -0.00230172 0.0303343   0.0505025   93  GLY   B HA3  
1143 N N    . VAL   A 82  ? 0.386121 0.401252 0.360668 0.00271193  0.0435345   0.0483321   94  VAL   B N    
1144 C CA   . VAL   A 82  ? 0.391492 0.380565 0.365005 0.00145001  0.0498386   0.049073    94  VAL   B CA   
1145 C C    . VAL   A 82  ? 0.445076 0.422395 0.42438  0.0163833   0.0510788   0.059353    94  VAL   B C    
1146 O O    . VAL   A 82  ? 0.476328 0.430442 0.451264 0.0169524   0.0536438   0.0679211   94  VAL   B O    
1147 C CB   . VAL   A 82  ? 0.417084 0.392071 0.387185 -0.00635249 0.0549176   0.0341866   94  VAL   B CB   
1148 C CG1  . VAL   A 82  ? 0.491791 0.432565 0.459689 -0.00876765 0.0616651   0.0340849   94  VAL   B CG1  
1149 C CG2  . VAL   A 82  ? 0.355109 0.345153 0.32126  -0.0203945  0.0494285   0.0270034   94  VAL   B CG2  
1150 H H    . VAL   A 82  ? 0.36614  0.387118 0.340737 0.00122544  0.0439048   0.0414525   94  VAL   B H    
1151 H HA   . VAL   A 82  ? 0.405106 0.392269 0.375192 -0.00473044 0.0494823   0.0533112   94  VAL   B HA   
1152 H HB   . VAL   A 82  ? 0.4121   0.389937 0.383371 -0.00034674 0.0570937   0.0293028   94  VAL   B HB   
1153 H HG11 . VAL   A 82  ? 0.481584 0.419115 0.449521 -0.0116204  0.0610547   0.0431256   94  VAL   B HG11 
1154 H HG12 . VAL   A 82  ? 0.492048 0.421159 0.46242  0.00193446  0.0655737   0.0348376   94  VAL   B HG12 
1155 H HG13 . VAL   A 82  ? 0.487418 0.420119 0.450807 -0.0184946  0.0627817   0.0243041   94  VAL   B HG13 
1156 H HG21 . VAL   A 82  ? 0.380212 0.361155 0.34179  -0.0262817  0.0506451   0.0178172   94  VAL   B HG21 
1157 H HG22 . VAL   A 82  ? 0.351983 0.358438 0.31774  -0.0179825  0.0455307   0.0272196   94  VAL   B HG22 
1158 H HG23 . VAL   A 82  ? 0.366692 0.358657 0.335278 -0.0256478  0.04854     0.0316838   94  VAL   B HG23 
1159 N N    . ALA   A 83  ? 0.341372 0.33716  0.33175  0.0279076   0.0481077   0.0608178   95  ALA   B N    
1160 C CA   . ALA   A 83  ? 0.37592  0.368174 0.378244 0.0447162   0.0465441   0.0716285   95  ALA   B CA   
1161 C C    . ALA   A 83  ? 0.382359 0.373264 0.374862 0.0456745   0.0370474   0.0885315   95  ALA   B C    
1162 O O    . ALA   A 83  ? 0.450967 0.429123 0.44661  0.0583347   0.0340762   0.101306    95  ALA   B O    
1163 C CB   . ALA   A 83  ? 0.350092 0.371933 0.372393 0.0543712   0.044816    0.0696534   95  ALA   B CB   
1164 H H    . ALA   A 83  ? 0.349616 0.361477 0.341643 0.0251387   0.0467582   0.0555015   95  ALA   B H    
1165 H HA   . ALA   A 83  ? 0.39194  0.361443 0.394928 0.0489849   0.0532274   0.0696507   95  ALA   B HA   
1166 H HB1  . ALA   A 83  ? 0.354961 0.375858 0.380003 0.0536312   0.0528458   0.059269    95  ALA   B HB1  
1167 H HB2  . ALA   A 83  ? 0.336239 0.377238 0.356933 0.0486136   0.0380473   0.0710913   95  ALA   B HB2  
1168 H HB3  . ALA   A 83  ? 0.365536 0.388256 0.399594 0.0667092   0.0426371   0.0774413   95  ALA   B HB3  
1169 N N    . THR   A 84  ? 0.398444 0.402196 0.377638 0.0340625   0.032214    0.0888174   96  THR   B N    
1170 C CA   . THR   A 84  ? 0.414629 0.415773 0.376819 0.0333924   0.0254108   0.102908    96  THR   B CA   
1171 C C    . THR   A 84  ? 0.455985 0.429918 0.402585 0.025005    0.0341588   0.108595    96  THR   B C    
1172 O O    . THR   A 84  ? 0.478721 0.445614 0.406006 0.0230784   0.0324259   0.121318    96  THR   B O    
1173 C CB   . THR   A 84  ? 0.397154 0.420454 0.348949 0.0256878   0.0187283   0.0993802   96  THR   B CB   
1174 O OG1  . THR   A 84  ? 0.409458 0.431475 0.355558 0.0137154   0.0267447   0.0896176   96  THR   B OG1  
1175 C CG2  . THR   A 84  ? 0.411731 0.460456 0.377386 0.0289954   0.0100273   0.0946912   96  THR   B CG2  
1176 H H    . THR   A 84  ? 0.374204 0.387691 0.353104 0.0270703   0.0333586   0.0802057   96  THR   B H    
1177 H HA   . THR   A 84  ? 0.429441 0.431119 0.395611 0.0434213   0.0193889   0.111874    96  THR   B HA   
1178 H HB   . THR   A 84  ? 0.421621 0.441995 0.359559 0.0265702   0.0142167   0.108424    96  THR   B HB   
1180 H HG21 . THR   A 84  ? 0.395581 0.452687 0.351395 0.023684    0.00521345  0.0930475   96  THR   B HG21 
1181 H HG22 . THR   A 84  ? 0.389109 0.441216 0.365337 0.0275782   0.0151022   0.0862278   96  THR   B HG22 
1182 H HG23 . THR   A 84  ? 0.410267 0.463429 0.383956 0.0374154   0.00426515  0.101889    96  THR   B HG23 
1183 N N    . MET   A 85  ? 0.433027 0.391675 0.38492  0.0168293   0.0441789   0.0992724   97  MET   B N    
1184 C CA   . MET   A 85  ? 0.474716 0.415776 0.41649  0.00304311  0.0528765   0.102626    97  MET   B CA   
1185 C C    . MET   A 85  ? 0.557176 0.45885  0.493694 0.00563551  0.0582317   0.113966    97  MET   B C    
1186 O O    . MET   A 85  ? 0.515312 0.399736 0.460742 0.0170266   0.0581644   0.111932    97  MET   B O    
1187 C CB   . MET   A 85  ? 0.444514 0.393755 0.396273 -0.0105457  0.057728    0.0860291   97  MET   B CB   
1188 C CG   . MET   A 85  ? 0.414504 0.397106 0.368632 -0.0138113  0.0531705   0.0780854   97  MET   B CG   
1189 S SD   . MET   A 85  ? 0.425097 0.415996 0.391426 -0.0280498  0.05526     0.0621638   97  MET   B SD   
1190 C CE   . MET   A 85  ? 0.47118  0.45841  0.440786 -0.0444495  0.064738    0.0677707   97  MET   B CE   
1191 H H    . MET   A 85  ? 0.437148 0.396846 0.398964 0.0186828   0.0458345   0.0904046   97  MET   B H    
1192 H HA   . MET   A 85  ? 0.473743 0.423492 0.404914 0.00021905  0.0519257   0.108683    97  MET   B HA   
1193 H HB2  . MET   A 85  ? 0.449378 0.39174  0.407677 -0.00757748 0.0579607   0.0784413   97  MET   B HB2  
1194 H HB3  . MET   A 85  ? 0.463191 0.401222 0.413109 -0.0205844  0.0636297   0.0879092   97  MET   B HB3  
1195 H HG2  . MET   A 85  ? 0.419222 0.407833 0.366032 -0.015888   0.0543382   0.083877    97  MET   B HG2  
1196 H HG3  . MET   A 85  ? 0.405379 0.397694 0.361196 -0.006231   0.0476473   0.076042    97  MET   B HG3  
1197 H HE1  . MET   A 85  ? 0.459575 0.453703 0.439044 -0.0534891  0.064245    0.0597206   97  MET   B HE1  
1198 H HE2  . MET   A 85  ? 0.486103 0.451351 0.45065  -0.0458359  0.0690251   0.0742696   97  MET   B HE2  
1199 H HE3  . MET   A 85  ? 0.457857 0.458261 0.424469 -0.043357   0.0664128   0.0724885   97  MET   B HE3  
1200 N N    . LYS   A 86  ? 0.563569 0.448653 0.484416 -0.00429914 0.0643158   0.126784    98  LYS   B N    
1201 C CA   . LYS   A 86  ? 0.597629 0.438687 0.509788 -0.00520557 0.0704323   0.139591    98  LYS   B CA   
1202 C C    . LYS   A 86  ? 0.601669 0.427495 0.521648 -0.0261148  0.0814586   0.12822     98  LYS   B C    
1203 O O    . LYS   A 86  ? 0.57534  0.429474 0.503955 -0.0404565  0.0840707   0.11717     98  LYS   B O    
1204 C CB   . LYS   A 86  ? 0.57169  0.401837 0.457645 -0.00707095 0.0715228   0.162225    98  LYS   B CB   
1205 H H    . LYS   A 86  ? 0.554989 0.45538  0.469593 -0.0109595  0.0656823   0.127747    98  LYS   B H    
1206 H HA   . LYS   A 86  ? 0.59808  0.425979 0.515635 0.00817465  0.0666965   0.140569    98  LYS   B HA   
1209 N N    . LYS   A 87  ? 0.648743 0.429318 0.566275 -0.0290279  0.0872561   0.131099    99  LYS   B N    
1210 C CA   . LYS   A 87  ? 0.695869 0.460567 0.619829 -0.0529311  0.0959153   0.119873    99  LYS   B CA   
1211 C C    . LYS   A 87  ? 0.664318 0.445602 0.586179 -0.0751186  0.104125    0.12807     99  LYS   B C    
1212 O O    . LYS   A 87  ? 0.662016 0.432209 0.565901 -0.0738233  0.108451    0.148537    99  LYS   B O    
1213 C CB   . LYS   A 87  ? 0.773071 0.476701 0.688414 -0.0531999  0.101639    0.125604    99  LYS   B CB   
1214 C CG   . LYS   A 87  ? 0.850254 0.531555 0.7723   -0.0777501  0.107757    0.108419    99  LYS   B CG   
1215 C CD   . LYS   A 87  ? 0.938352 0.550355 0.849078 -0.0762679  0.113561    0.111245    99  LYS   B CD   
1216 C CE   . LYS   A 87  ? 0.992201 0.580533 0.906113 -0.106893   0.11883     0.0951685   99  LYS   B CE   
1217 N NZ   . LYS   A 87  ? 1.10197  0.617482 1.00147  -0.114748   0.126911    0.102278    99  LYS   B NZ   
1218 H H    . LYS   A 87  ? 0.67783  0.43656  0.590098 -0.0162371  0.0851523   0.140021    99  LYS   B H    
1219 H HA   . LYS   A 87  ? 0.662355 0.443693 0.597302 -0.0550898  0.0931293   0.103491    99  LYS   B HA   
1220 H HB2  . LYS   A 87  ? 0.784378 0.476973 0.700664 -0.0348224  0.0978212   0.123906    99  LYS   B HB2  
1221 H HB3  . LYS   A 87  ? 0.806286 0.492473 0.709334 -0.0552185  0.105049    0.142948    99  LYS   B HB3  
1222 H HG2  . LYS   A 87  ? 0.840044 0.533314 0.764769 -0.0965139  0.111898    0.111661    99  LYS   B HG2  
1223 H HG3  . LYS   A 87  ? 0.816334 0.516705 0.747208 -0.0768007  0.103631    0.0915769   99  LYS   B HG3  
1224 H HD2  . LYS   A 87  ? 0.940136 0.542518 0.851714 -0.0575248  0.110802    0.104685    99  LYS   B HD2  
1225 H HD3  . LYS   A 87  ? 0.966107 0.557012 0.865926 -0.0739172  0.116508    0.130327    99  LYS   B HD3  
1226 H HE2  . LYS   A 87  ? 0.977362 0.59256  0.898522 -0.125144   0.120175    0.0970788   99  LYS   B HE2  
1227 H HE3  . LYS   A 87  ? 0.980157 0.576322 0.899018 -0.105332   0.115163    0.0764183   99  LYS   B HE3  
1228 H HZ1  . LYS   A 87  ? 1.10721  0.613185 0.999757 -0.117368   0.130634    0.120937    99  LYS   B HZ1  
1229 H HZ2  . LYS   A 87  ? 1.10824  0.597646 1.00247  -0.0964028  0.126318    0.0996599   99  LYS   B HZ2  
1230 H HZ3  . LYS   A 87  ? 1.10628  0.610771 1.00843  -0.135568   0.128916    0.0908041   99  LYS   B HZ3  
1231 N N    . GLY   A 88  ? 0.60733  0.416865 0.547539 -0.0943324  0.106143    0.112667    100 GLY   B N    
1232 C CA   . GLY   A 88  ? 0.616869 0.452086 0.564367 -0.114265   0.115618    0.11799     100 GLY   B CA   
1233 C C    . GLY   A 88  ? 0.599957 0.486062 0.551834 -0.105622   0.113519    0.116342    100 GLY   B C    
1234 O O    . GLY   A 88  ? 0.607426 0.523235 0.57226  -0.11989    0.122354    0.116276    100 GLY   B O    
1235 H H    . GLY   A 88  ? 0.605591 0.419824 0.554736 -0.0943986  0.10143     0.0984903   100 GLY   B H    
1236 H HA2  . GLY   A 88  ? 0.622002 0.461537 0.584528 -0.130352   0.116832    0.108021    100 GLY   B HA2  
1237 H HA3  . GLY   A 88  ? 0.651672 0.464827 0.586246 -0.118979   0.123337    0.132842    100 GLY   B HA3  
1238 N N    . GLU   A 89  ? 0.54209  0.437974 0.485531 -0.0829774  0.102707    0.114213    101 GLU   B N    
1239 C CA   . GLU   A 89  ? 0.525364 0.460426 0.467898 -0.0739386  0.0998508   0.112018    101 GLU   B CA   
1240 C C    . GLU   A 89  ? 0.511433 0.482323 0.479533 -0.0805099  0.0966367   0.0946041   101 GLU   B C    
1241 O O    . GLU   A 89  ? 0.512894 0.480386 0.492789 -0.0828879  0.0890034   0.0818987   101 GLU   B O    
1242 C CB   . GLU   A 89  ? 0.532446 0.464417 0.461414 -0.0520755  0.0878192   0.11427     101 GLU   B CB   
1243 C CG   . GLU   A 89  ? 0.510392 0.47428  0.433881 -0.0431892  0.0829284   0.1109      101 GLU   B CG   
1244 C CD   . GLU   A 89  ? 0.526368 0.488115 0.438495 -0.0256939  0.0700194   0.114334    101 GLU   B CD   
1245 O OE1  . GLU   A 89  ? 0.526339 0.463675 0.425768 -0.0186301  0.0673036   0.128103    101 GLU   B OE1  
1246 O OE2  . GLU   A 89  ? 0.447731 0.432888 0.366117 -0.0198908  0.0622802   0.103576    101 GLU   B OE2  
1247 H H    . GLU   A 89  ? 0.55978  0.436928 0.498719 -0.0733153  0.0974012   0.113645    101 GLU   B H    
1248 H HA   . GLU   A 89  ? 0.54211  0.480241 0.475402 -0.0784333  0.108145    0.121391    101 GLU   B HA   
1249 H HB2  . GLU   A 89  ? 0.554967 0.465183 0.469193 -0.0476087  0.0884298   0.126714    101 GLU   B HB2  
1250 H HB3  . GLU   A 89  ? 0.519386 0.447799 0.457407 -0.0479131  0.0820696   0.105616    101 GLU   B HB3  
1251 H HG2  . GLU   A 89  ? 0.490127 0.473118 0.42812  -0.0455176  0.0812053   0.0994763   101 GLU   B HG2  
1252 H HG3  . GLU   A 89  ? 0.525613 0.493388 0.4385   -0.0472286  0.0900996   0.117559    101 GLU   B HG3  
1253 N N    . ILE   A 90  ? 0.475897 0.479696 0.449377 -0.0811577  0.102108    0.0942648   102 ILE   B N    
1254 C CA   . ILE   A 90  ? 0.430618 0.469673 0.425678 -0.0789386  0.0953551   0.0799698   102 ILE   B CA   
1255 C C    . ILE   A 90  ? 0.465388 0.516186 0.445956 -0.0612733  0.0905172   0.0791688   102 ILE   B C    
1256 O O    . ILE   A 90  ? 0.461546 0.512384 0.423973 -0.0572779  0.0987539   0.0872797   102 ILE   B O    
1257 C CB   . ILE   A 90  ? 0.475134 0.545451 0.496311 -0.0929136  0.105838    0.0781019   102 ILE   B CB   
1258 C CG1  . ILE   A 90  ? 0.517583 0.575413 0.554012 -0.11512    0.109457    0.0784149   102 ILE   B CG1  
1259 C CG2  . ILE   A 90  ? 0.503189 0.611596 0.547342 -0.0858134  0.0976802   0.0659888   102 ILE   B CG2  
1260 C CD1  . ILE   A 90  ? 0.478491 0.572163 0.547356 -0.132362   0.120355    0.0779121   102 ILE   B CD1  
1261 H H    . ILE   A 90  ? 0.492097 0.494946 0.454646 -0.0821965  0.110347    0.103133    102 ILE   B H    
1262 H HA   . ILE   A 90  ? 0.441971 0.476664 0.443612 -0.0797018  0.0870803   0.072353    102 ILE   B HA   
1263 H HB   . ILE   A 90  ? 0.491049 0.563581 0.503011 -0.0923334  0.116592    0.0857448   102 ILE   B HB   
1264 H HG12 . ILE   A 90  ? 0.496282 0.548853 0.537675 -0.116181   0.0988888   0.0698134   102 ILE   B HG12 
1265 H HG13 . ILE   A 90  ? 0.526721 0.556361 0.546377 -0.117853   0.115024    0.0875328   102 ILE   B HG13 
1266 H HG21 . ILE   A 90  ? 0.484528 0.615884 0.54986  -0.0937453  0.104223    0.065257    102 ILE   B HG21 
1267 H HG22 . ILE   A 90  ? 0.475164 0.58075  0.523891 -0.0859883  0.0863978   0.0590955   102 ILE   B HG22 
1268 H HG23 . ILE   A 90  ? 0.47581  0.587625 0.508379 -0.0731566  0.0971504   0.0661552   102 ILE   B HG23 
1269 H HD11 . ILE   A 90  ? 0.494587 0.598267 0.558673 -0.129042   0.132014    0.0846045   102 ILE   B HD11 
1270 H HD12 . ILE   A 90  ? 0.510839 0.591516 0.585465 -0.148788   0.124088    0.0801865   102 ILE   B HD12 
1271 H HD13 . ILE   A 90  ? 0.470271 0.590367 0.559461 -0.130722   0.112217    0.0687361   102 ILE   B HD13 
1272 N N    . ALA   A 91  ? 0.364412 0.423572 0.350803 -0.05291    0.0774856   0.0687223   103 ALA   B N    
1273 C CA   . ALA   A 91  ? 0.405352 0.470826 0.378152 -0.0387246  0.0713952   0.0670507   103 ALA   B CA   
1274 C C    . ALA   A 91  ? 0.345433 0.433463 0.334322 -0.0351659  0.064331    0.0561224   103 ALA   B C    
1275 O O    . ALA   A 91  ? 0.376475 0.47219  0.38334  -0.0420133  0.0589936   0.0498409   103 ALA   B O    
1276 C CB   . ALA   A 91  ? 0.43026  0.47652  0.387966 -0.0301821  0.0620533   0.0698009   103 ALA   B CB   
1277 H H    . ALA   A 91  ? 0.387297 0.44669  0.384161 -0.0571894  0.0725452   0.0627172   103 ALA   B H    
1278 H HA   . ALA   A 91  ? 0.400223 0.468025 0.362984 -0.0371533  0.0783222   0.0716529   103 ALA   B HA   
1279 H HB1  . ALA   A 91  ? 0.440047 0.471856 0.387872 -0.0304462  0.0652521   0.0781565   103 ALA   B HB1  
1280 H HB2  . ALA   A 91  ? 0.41639  0.459624 0.38216  -0.0314046  0.0576289   0.0647513   103 ALA   B HB2  
1281 H HB3  . ALA   A 91  ? 0.415296 0.466919 0.365389 -0.0233103  0.057407    0.0683514   103 ALA   B HB3  
1282 N N    . HIS   A 92  ? 0.311709 0.407199 0.291438 -0.0251743  0.0639575   0.0542972   104 HIS   B N    
1283 C CA   . HIS   A 92  ? 0.33572  0.443713 0.323986 -0.0178595  0.0554245   0.0461255   104 HIS   B CA   
1284 C C    . HIS   A 92  ? 0.325101 0.418472 0.295213 -0.0113224  0.04466     0.0449187   104 HIS   B C    
1285 O O    . HIS   A 92  ? 0.359295 0.441192 0.309901 -0.00835064 0.0448673   0.0486754   104 HIS   B O    
1286 C CB   . HIS   A 92  ? 0.352621 0.475753 0.34524  -0.0106005  0.0639981   0.0433296   104 HIS   B CB   
1287 C CG   . HIS   A 92  ? 0.355236 0.503319 0.376399 -0.0165764  0.0738761   0.0432274   104 HIS   B CG   
1288 N ND1  . HIS   A 92  ? 0.369941 0.536975 0.401578 -0.00890547 0.0857257   0.0403721   104 HIS   B ND1  
1289 C CD2  . HIS   A 92  ? 0.348879 0.508825 0.393542 -0.029649   0.0734847   0.0442372   104 HIS   B CD2  
1290 C CE1  . HIS   A 92  ? 0.363593 0.558205 0.428314 -0.0174763  0.0930053   0.0412495   104 HIS   B CE1  
1291 N NE2  . HIS   A 92  ? 0.342695 0.53273  0.41507  -0.0314963  0.0845672   0.043507    104 HIS   B NE2  
1292 H H    . HIS   A 92  ? 0.33843  0.428404 0.303786 -0.0228427  0.0689633   0.0584148   104 HIS   B H    
1293 H HA   . HIS   A 92  ? 0.322524 0.438272 0.325895 -0.0221221  0.0511421   0.0431973   104 HIS   B HA   
1294 H HB2  . HIS   A 92  ? 0.362203 0.476527 0.336778 -0.00847589 0.0698302   0.0458061   104 HIS   B HB2  
1295 H HB3  . HIS   A 92  ? 0.344501 0.469201 0.338182 -0.00364185 0.0573738   0.0389419   104 HIS   B HB3  
1297 H HD2  . HIS   A 92  ? 0.346197 0.495591 0.388755 -0.0365342  0.0675833   0.0447801   104 HIS   B HD2  
1298 H HE1  . HIS   A 92  ? 0.365707 0.580532 0.446755 -0.0141293  0.103081    0.0397745   104 HIS   B HE1  
1300 N N    . LEU   A 93  ? 0.318302 0.413009 0.294867 -0.0113422  0.0346631   0.0404931   105 LEU   B N    
1301 C CA   . LEU   A 93  ? 0.335695 0.420468 0.299299 -0.00766583 0.0261452   0.039423    105 LEU   B CA   
1302 C C    . LEU   A 93  ? 0.31283  0.401025 0.277927 -0.00241108 0.0196766   0.0355605   105 LEU   B C    
1303 O O    . LEU   A 93  ? 0.369647 0.468528 0.348289 -0.00270803 0.0157369   0.033612    105 LEU   B O    
1304 C CB   . LEU   A 93  ? 0.307828 0.386446 0.271857 -0.0123418  0.0226602   0.038982    105 LEU   B CB   
1305 C CG   . LEU   A 93  ? 0.333898 0.403354 0.297427 -0.014451   0.0279137   0.0429303   105 LEU   B CG   
1306 C CD1  . LEU   A 93  ? 0.387727 0.450208 0.351807 -0.015934   0.0268277   0.0396206   105 LEU   B CD1  
1307 C CD2  . LEU   A 93  ? 0.371792 0.436859 0.324576 -0.00947311 0.0282749   0.0496506   105 LEU   B CD2  
1308 H H    . LEU   A 93  ? 0.318798 0.421344 0.307648 -0.0149397  0.0332314   0.0383887   105 LEU   B H    
1309 H HA   . LEU   A 93  ? 0.328501 0.407346 0.281169 -0.00549149 0.0272416   0.04166     105 LEU   B HA   
1310 H HB2  . LEU   A 93  ? 0.316508 0.399509 0.287258 -0.0154449  0.020512    0.0358925   105 LEU   B HB2  
1311 H HB3  . LEU   A 93  ? 0.315956 0.391337 0.273436 -0.0106881  0.0185005   0.0385957   105 LEU   B HB3  
1312 H HG   . LEU   A 93  ? 0.349505 0.419532 0.318869 -0.0182307  0.0323436   0.0435627   105 LEU   B HG   
1313 H HD11 . LEU   A 93  ? 0.371962 0.435661 0.338623 -0.020252   0.025636    0.0349403   105 LEU   B HD11 
1314 H HD12 . LEU   A 93  ? 0.378072 0.432669 0.343122 -0.0151804  0.0306059   0.0421951   105 LEU   B HD12 
1315 H HD13 . LEU   A 93  ? 0.36718  0.431356 0.327473 -0.0134089  0.0238821   0.0395071   105 LEU   B HD13 
1316 H HD21 . LEU   A 93  ? 0.366742 0.433355 0.315786 -0.00928514 0.0316169   0.0513692   105 LEU   B HD21 
1317 H HD22 . LEU   A 93  ? 0.358325 0.425073 0.306834 -0.0074425  0.0233928   0.0485728   105 LEU   B HD22 
1318 H HD23 . LEU   A 93  ? 0.367823 0.42654  0.321107 -0.00879458 0.0298021   0.0533777   105 LEU   B HD23 
1319 N N    . LEU   A 94  ? 0.336654 0.413506 0.286796 0.00134001  0.0162899   0.0351455   106 LEU   B N    
1320 C CA   . LEU   A 94  ? 0.353312 0.423123 0.299277 0.00578957  0.0091045   0.0332114   106 LEU   B CA   
1321 C C    . LEU   A 94  ? 0.353843 0.41179  0.287158 1.315e-05   0.00321964  0.0350241   106 LEU   B C    
1322 O O    . LEU   A 94  ? 0.342039 0.396212 0.267782 -0.00332386 0.00396031  0.0358909   106 LEU   B O    
1323 C CB   . LEU   A 94  ? 0.359544 0.422428 0.299378 0.0149244   0.012577    0.0294884   106 LEU   B CB   
1324 C CG   . LEU   A 94  ? 0.404726 0.454805 0.34143  0.0224211   0.00553428  0.0282169   106 LEU   B CG   
1325 C CD1  . LEU   A 94  ? 0.371861 0.439536 0.330827 0.0290746   0.00242231  0.0296757   106 LEU   B CD1  
1326 C CD2  . LEU   A 94  ? 0.423668 0.456008 0.346877 0.0309403   0.00959131  0.0223346   106 LEU   B CD2  
1327 H H    . LEU   A 94  ? 0.337905 0.409685 0.279275 0.00056401  0.0177666   0.0365216   106 LEU   B H    
1328 H HA   . LEU   A 94  ? 0.346149 0.423166 0.30174  0.00633959  0.00612283  0.0332384   106 LEU   B HA   
1329 H HB2  . LEU   A 94  ? 0.367436 0.441722 0.317579 0.0181205   0.0189694   0.0285375   106 LEU   B HB2  
1330 H HB3  . LEU   A 94  ? 0.374891 0.429008 0.301399 0.0129838   0.0138554   0.0287418   106 LEU   B HB3  
1331 H HG   . LEU   A 94  ? 0.39324  0.433953 0.321623 0.0170431   -0.00044784 0.0306028   106 LEU   B HG   
1332 H HD11 . LEU   A 94  ? 0.36993  0.445122 0.333083 0.0224266   -0.00143413 0.0321457   106 LEU   B HD11 
1333 H HD12 . LEU   A 94  ? 0.392035 0.450173 0.348702 0.0357363   -0.00292829 0.0303223   106 LEU   B HD12 
1334 H HD13 . LEU   A 94  ? 0.378075 0.4591   0.349357 0.0331291   0.00939212  0.0276047   106 LEU   B HD13 
1335 H HD21 . LEU   A 94  ? 0.430318 0.452116 0.338339 0.0251309   0.00930634  0.0210791   106 LEU   B HD21 
1336 H HD22 . LEU   A 94  ? 0.426422 0.468743 0.357124 0.0367846   0.0174715   0.0196314   106 LEU   B HD22 
1337 H HD23 . LEU   A 94  ? 0.436531 0.457038 0.357858 0.0362705   0.00478313  0.0223105   106 LEU   B HD23 
1338 N N    . ILE   A 95  ? 0.322586 0.377445 0.254265 -0.00221627 -0.0027803  0.0365096   107 ILE   B N    
1339 C CA   . ILE   A 95  ? 0.367761 0.418079 0.291519 -0.0101737  -0.0040817  0.0387776   107 ILE   B CA   
1340 C C    . ILE   A 95  ? 0.369532 0.403988 0.279742 -0.0117911  -0.0101286  0.0418304   107 ILE   B C    
1341 O O    . ILE   A 95  ? 0.382047 0.412906 0.28991  -0.00744528 -0.015744   0.0436971   107 ILE   B O    
1342 C CB   . ILE   A 95  ? 0.379279 0.438244 0.30753  -0.0140652  -0.00206693 0.0377752   107 ILE   B CB   
1343 C CG1  . ILE   A 95  ? 0.344603 0.412544 0.285462 -0.0132198  0.00430114  0.0357052   107 ILE   B CG1  
1344 C CG2  . ILE   A 95  ? 0.381632 0.437685 0.301318 -0.0210557  0.00061454  0.0390003   107 ILE   B CG2  
1345 C CD1  . ILE   A 95  ? 0.367068 0.438507 0.312084 -0.0175348  0.00547484  0.0321167   107 ILE   B CD1  
1346 H H    . ILE   A 95  ? 0.343336 0.40006  0.27888  0.00159131  -0.00576362 0.0364734   107 ILE   B H    
1347 H HA   . ILE   A 95  ? 0.355738 0.406835 0.279306 -0.0124628  -0.00177375 0.0389649   107 ILE   B HA   
1348 H HB   . ILE   A 95  ? 0.37537  0.434991 0.303133 -0.0127362  -0.00646186 0.037648    107 ILE   B HB   
1349 H HG12 . ILE   A 95  ? 0.352236 0.419694 0.293221 -0.0138102  0.00742606  0.0368898   107 ILE   B HG12 
1350 H HG13 . ILE   A 95  ? 0.352986 0.423536 0.298308 -0.00963743 0.00470979  0.0356781   107 ILE   B HG13 
1351 H HG21 . ILE   A 95  ? 0.380432 0.440397 0.30218  -0.0225998  0.00423084  0.0365245   107 ILE   B HG21 
1352 H HG22 . ILE   A 95  ? 0.379365 0.436394 0.301394 -0.0222437  0.00273763  0.0401742   107 ILE   B HG22 
1353 H HG23 . ILE   A 95  ? 0.392134 0.441362 0.301711 -0.0229971  -0.00303221 0.0411353   107 ILE   B HG23 
1354 H HD11 . ILE   A 95  ? 0.363843 0.438517 0.309686 -0.0176535  0.00025537  0.0312908   107 ILE   B HD11 
1355 H HD12 . ILE   A 95  ? 0.357754 0.431147 0.310191 -0.0177278  0.00969291  0.0316527   107 ILE   B HD12 
1356 H HD13 . ILE   A 95  ? 0.364623 0.432369 0.303366 -0.0203725  0.00718399  0.0309679   107 ILE   B HD13 
1357 N N    . LYS   A 96  ? 0.364131 0.389197 0.266279 -0.0187347  -0.010079   0.0433016   108 LYS   B N    
1358 C CA   . LYS   A 96  ? 0.387861 0.393243 0.274859 -0.0242999  -0.014356   0.0479416   108 LYS   B CA   
1359 C C    . LYS   A 96  ? 0.380984 0.391068 0.262114 -0.0318185  -0.0117764  0.0522905   108 LYS   B C    
1360 O O    . LYS   A 96  ? 0.369957 0.397404 0.2597   -0.0337766  -0.00544935 0.0497395   108 LYS   B O    
1361 C CB   . LYS   A 96  ? 0.472089 0.467106 0.353857 -0.0341633  -0.0149698  0.0477879   108 LYS   B CB   
1362 C CG   . LYS   A 96  ? 0.479242 0.461012 0.356073 -0.0293637  -0.0180188  0.0419025   108 LYS   B CG   
1363 C CD   . LYS   A 96  ? 0.500316 0.470318 0.369429 -0.0433964  -0.0216338  0.0406399   108 LYS   B CD   
1364 C CE   . LYS   A 96  ? 0.597863 0.552756 0.45554  -0.0405023  -0.0249609  0.0320056   108 LYS   B CE   
1365 N NZ   . LYS   A 96  ? 0.647176 0.593111 0.498418 -0.0582945  -0.0310788  0.0306373   108 LYS   B NZ   
1366 H H    . LYS   A 96  ? 0.361764 0.392507 0.267945 -0.0208831  -0.00790937 0.0420682   108 LYS   B H    
1367 H HA   . LYS   A 96  ? 0.407859 0.402359 0.290503 -0.0174804  -0.0185219  0.0485736   108 LYS   B HA   
1368 H HB2  . LYS   A 96  ? 0.441561 0.451857 0.332043 -0.0393045  -0.0117106  0.0475418   108 LYS   B HB2  
1369 H HB3  . LYS   A 96  ? 0.468512 0.450101 0.34053  -0.040206   -0.0164731  0.0518999   108 LYS   B HB3  
1370 H HG2  . LYS   A 96  ? 0.493839 0.460789 0.364354 -0.0220656  -0.0200207  0.0415573   108 LYS   B HG2  
1371 H HG3  . LYS   A 96  ? 0.466959 0.461843 0.351093 -0.0245508  -0.015691   0.0388547   108 LYS   B HG3  
1372 H HD2  . LYS   A 96  ? 0.504418 0.493016 0.383768 -0.0501188  -0.0202691  0.0421704   108 LYS   B HD2  
1373 H HD3  . LYS   A 96  ? 0.534709 0.488143 0.395372 -0.0490358  -0.023205   0.0441181   108 LYS   B HD3  
1374 H HE2  . LYS   A 96  ? 0.59966  0.535215 0.448241 -0.0326872  -0.0249309  0.029633    108 LYS   B HE2  
1375 H HE3  . LYS   A 96  ? 0.570173 0.54011  0.433108 -0.035681   -0.0231253  0.0297265   108 LYS   B HE3  
1376 H HZ1  . LYS   A 96  ? 0.651247 0.581572 0.497065 -0.0641827  -0.031891   0.0335308   108 LYS   B HZ1  
1377 H HZ2  . LYS   A 96  ? 0.621792 0.589219 0.485111 -0.0643059  -0.0313328  0.0331464   108 LYS   B HZ2  
1378 H HZ3  . LYS   A 96  ? 0.651996 0.586341 0.492477 -0.0579202  -0.0339297  0.0243758   108 LYS   B HZ3  
1379 N N    . PRO   A 97  ? 0.414828 0.405838 0.277332 -0.0357882  -0.0158243  0.0592208   109 PRO   B N    
1380 C CA   . PRO   A 97  ? 0.40479  0.398064 0.253671 -0.042677   -0.0127314  0.0633907   109 PRO   B CA   
1381 C C    . PRO   A 97  ? 0.378974 0.387017 0.232777 -0.0537549  -0.00024839 0.0620778   109 PRO   B C    
1382 O O    . PRO   A 97  ? 0.432019 0.449016 0.27955  -0.0563133  0.0067475   0.0602687   109 PRO   B O    
1383 C CB   . PRO   A 97  ? 0.459697 0.424628 0.284817 -0.0436227  -0.020922   0.073485    109 PRO   B CB   
1384 C CG   . PRO   A 97  ? 0.457958 0.402213 0.285536 -0.0394583  -0.0258147  0.0737727   109 PRO   B CG   
1385 C CD   . PRO   A 97  ? 0.437003 0.400421 0.287844 -0.031498   -0.0235044  0.063132    109 PRO   B CD   
1386 H HA   . PRO   A 97  ? 0.400636 0.40282  0.25245  -0.037378   -0.0146335  0.0604445   109 PRO   B HA   
1387 H HB2  . PRO   A 97  ? 0.467724 0.42713  0.279798 -0.0537493  -0.0162229  0.0783593   109 PRO   B HB2  
1388 H HB3  . PRO   A 97  ? 0.458294 0.42255  0.278037 -0.0369745  -0.0276818  0.0751321   109 PRO   B HB3  
1389 H HG2  . PRO   A 97  ? 0.474677 0.408801 0.296422 -0.0498072  -0.0226081  0.0763697   109 PRO   B HG2  
1390 H HG3  . PRO   A 97  ? 0.480037 0.408725 0.299611 -0.0316694  -0.0332991  0.0779249   109 PRO   B HG3  
1391 H HD2  . PRO   A 97  ? 0.439465 0.395607 0.291345 -0.0350167  -0.022522   0.0609137   109 PRO   B HD2  
1392 H HD3  . PRO   A 97  ? 0.433723 0.397429 0.289359 -0.0204346  -0.0278018  0.0614775   109 PRO   B HD3  
1393 N N    . GLU   A 98  ? 0.406831 0.418633 0.272793 -0.0602305  0.002579    0.0620652   110 GLU   B N    
1394 C CA   . GLU   A 98  ? 0.419554 0.452997 0.299943 -0.0690945  0.0139011   0.0613221   110 GLU   B CA   
1395 C C    . GLU   A 98  ? 0.382228 0.437731 0.278999 -0.060281   0.0208043   0.0543443   110 GLU   B C    
1396 O O    . GLU   A 98  ? 0.424987 0.49646  0.329301 -0.0638776  0.0332339   0.0531657   110 GLU   B O    
1397 C CB   . GLU   A 98  ? 0.478923 0.52003  0.375854 -0.0777985  0.0122243   0.0619073   110 GLU   B CB   
1398 C CG   . GLU   A 98  ? 0.551838 0.568605 0.433411 -0.0916816  0.00818919  0.0682326   110 GLU   B CG   
1399 C CD   . GLU   A 98  ? 0.685193 0.666397 0.546388 -0.0846078  -0.00353173 0.0687258   110 GLU   B CD   
1400 O OE1  . GLU   A 98  ? 0.499499 0.479023 0.36353  -0.0696328  -0.00950426 0.062785    110 GLU   B OE1  
1401 O OE2  . GLU   A 98  ? 0.766291 0.719462 0.607971 -0.0941041  -0.00518836 0.0761557   110 GLU   B OE2  
1402 H H    . GLU   A 98  ? 0.407009 0.408705 0.27321  -0.0589015  -0.00296601 0.0621092   110 GLU   B H    
1403 H HA   . GLU   A 98  ? 0.441616 0.471135 0.30999  -0.0764717  0.019404    0.0653901   110 GLU   B HA   
1404 H HB2  . GLU   A 98  ? 0.460952 0.503201 0.36471  -0.0711643  0.00627684  0.0582562   110 GLU   B HB2  
1405 H HB3  . GLU   A 98  ? 0.465251 0.526821 0.377195 -0.0814326  0.0195835   0.0615058   110 GLU   B HB3  
1406 H HG2  . GLU   A 98  ? 0.563351 0.589379 0.457798 -0.099833   0.00745995  0.0675612   110 GLU   B HG2  
1407 H HG3  . GLU   A 98  ? 0.579673 0.593493 0.451446 -0.0987567  0.0146726   0.0732586   110 GLU   B HG3  
1408 N N    . TYR   A 99  ? 0.374248 0.429602 0.277247 -0.0490502  0.0146457   0.0498522   111 TYR   B N    
1409 C CA   . TYR   A 99  ? 0.383911 0.452601 0.300248 -0.0416071  0.0206537   0.0441841   111 TYR   B CA   
1410 C C    . TYR   A 99  ? 0.406276 0.466681 0.30929  -0.0383272  0.0195771   0.0399739   111 TYR   B C    
1411 O O    . TYR   A 99  ? 0.365021 0.428979 0.275882 -0.033277   0.0225236   0.0344737   111 TYR   B O    
1412 C CB   . TYR   A 99  ? 0.361286 0.435304 0.292797 -0.0349652  0.0152861   0.043702    111 TYR   B CB   
1413 C CG   . TYR   A 99  ? 0.353056 0.439268 0.298153 -0.0393546  0.0138532   0.0467987   111 TYR   B CG   
1414 C CD1  . TYR   A 99  ? 0.382594 0.489624 0.34921  -0.036463   0.0195343   0.0472825   111 TYR   B CD1  
1415 C CD2  . TYR   A 99  ? 0.343776 0.420756 0.281697 -0.0460285  0.00555885  0.0487871   111 TYR   B CD2  
1416 C CE1  . TYR   A 99  ? 0.377203 0.502038 0.360818 -0.0417628  0.0157645   0.0507951   111 TYR   B CE1  
1417 C CE2  . TYR   A 99  ? 0.332559 0.422192 0.282701 -0.0540806  0.00215887  0.0507919   111 TYR   B CE2  
1418 C CZ   . TYR   A 99  ? 0.375422 0.492279 0.350366 -0.0516851  0.00576407  0.0522105   111 TYR   B CZ   
1419 O OH   . TYR   A 99  ? 0.345348 0.482185 0.338385 -0.059508   -0.00028398 0.0548035   111 TYR   B OH   
1420 H H    . TYR   A 99  ? 0.378043 0.423718 0.276964 -0.0461688  0.00753982  0.0504476   111 TYR   B H    
1421 H HA   . TYR   A 99  ? 0.381819 0.461    0.305509 -0.0437745  0.0288494   0.0436504   111 TYR   B HA   
1422 H HB2  . TYR   A 99  ? 0.3625   0.427178 0.28715  -0.0330743  0.00915563  0.0438858   111 TYR   B HB2  
1423 H HB3  . TYR   A 99  ? 0.355149 0.433498 0.293584 -0.0297586  0.0185188   0.0411927   111 TYR   B HB3  
1424 H HD1  . TYR   A 99  ? 0.370117 0.479685 0.340674 -0.0311975  0.0260724   0.0450341   111 TYR   B HD1  
1425 H HD2  . TYR   A 99  ? 0.35313  0.414458 0.277649 -0.046068   0.00215289  0.0486444   111 TYR   B HD2  
1426 H HE1  . TYR   A 99  ? 0.370598 0.512394 0.37227  -0.0379243  0.0188202   0.0518438   111 TYR   B HE1  
1427 H HE2  . TYR   A 99  ? 0.358336 0.438169 0.301068 -0.0600968  -0.00391832 0.0508212   111 TYR   B HE2  
1429 N N    . ALA   A 100 ? 0.380977 0.428665 0.262382 -0.0423811  0.0140216   0.0432338   112 ALA   B N    
1430 C CA   . ALA   A 100 ? 0.381922 0.424323 0.249261 -0.0412359  0.00869956  0.0399112   112 ALA   B CA   
1431 C C    . ALA   A 100 ? 0.407855 0.440449 0.245638 -0.0494142  0.011101    0.0429887   112 ALA   B C    
1432 O O    . ALA   A 100 ? 0.429664 0.466571 0.262198 -0.0538831  0.0249772   0.0387151   112 ALA   B O    
1433 C CB   . ALA   A 100 ? 0.388924 0.428358 0.260709 -0.0348138  -0.00480297 0.0422914   112 ALA   B CB   
1434 H H    . ALA   A 100 ? 0.396693 0.438301 0.271417 -0.0464872  0.0124769   0.0481349   112 ALA   B H    
1435 H HA   . ALA   A 100 ? 0.379989 0.427684 0.254036 -0.0397322  0.0133488   0.0337843   112 ALA   B HA   
1436 H HB1  . ALA   A 100 ? 0.370031 0.416312 0.25776  -0.0306586  -0.00384137 0.0395175   112 ALA   B HB1  
1437 H HB2  . ALA   A 100 ? 0.392173 0.423747 0.259454 -0.0343327  -0.00862078 0.047687    112 ALA   B HB2  
1438 H HB3  . ALA   A 100 ? 0.395456 0.433959 0.258845 -0.0352076  -0.0105306  0.0412379   112 ALA   B HB3  
1439 N N    . TYR   A 101 ? 0.453045 0.472148 0.270453 -0.0502991  -0.0011477  0.0506147   113 TYR   B N    
1440 C CA   . TYR   A 101 ? 0.472374 0.479186 0.254164 -0.0586875  7.01e-06    0.0553445   113 TYR   B CA   
1441 C C    . TYR   A 101 ? 0.481067 0.471913 0.246828 -0.0654881  0.00129409  0.0682527   113 TYR   B C    
1442 O O    . TYR   A 101 ? 0.519933 0.497557 0.251438 -0.0731809  0.00230693  0.0748379   113 TYR   B O    
1443 C CB   . TYR   A 101 ? 0.453349 0.454567 0.216023 -0.0562794  -0.017087   0.0561942   113 TYR   B CB   
1444 C CG   . TYR   A 101 ? 0.453858 0.468165 0.228575 -0.0547333  -0.0181426  0.0427732   113 TYR   B CG   
1445 C CD1  . TYR   A 101 ? 0.485246 0.497139 0.239173 -0.0620631  -0.00811736 0.032357    113 TYR   B CD1  
1446 C CD2  . TYR   A 101 ? 0.438458 0.464961 0.24329  -0.0472718  -0.0266833  0.0396378   113 TYR   B CD2  
1447 C CE1  . TYR   A 101 ? 0.460774 0.478312 0.225389 -0.0622177  -0.008388   0.019074    113 TYR   B CE1  
1448 C CE2  . TYR   A 101 ? 0.411702 0.44774  0.229696 -0.0488456  -0.0255951  0.028036    113 TYR   B CE2  
1449 C CZ   . TYR   A 101 ? 0.453659 0.482942 0.250269 -0.0568371  -0.0184612  0.0178991   113 TYR   B CZ   
1450 O OH   . TYR   A 101 ? 0.479501 0.511567 0.286289 -0.0601585  -0.0184849  0.00593839  113 TYR   B OH   
1451 H H    . TYR   A 101 ? 0.437277 0.454051 0.261826 -0.0450376  -0.0100033  0.0534218   113 TYR   B H    
1452 H HA   . TYR   A 101 ? 0.46901  0.481015 0.246684 -0.0626677  0.0117072   0.0493959   113 TYR   B HA   
1453 H HB2  . TYR   A 101 ? 0.462468 0.460641 0.232665 -0.050192   -0.028207   0.0620183   113 TYR   B HB2  
1454 H HB3  . TYR   A 101 ? 0.493988 0.485338 0.228146 -0.0623148  -0.0168539  0.0600872   113 TYR   B HB3  
1455 H HD1  . TYR   A 101 ? 0.498856 0.503719 0.231174 -0.0672875  0.00026638  0.0338815   113 TYR   B HD1  
1456 H HD2  . TYR   A 101 ? 0.421132 0.448624 0.239088 -0.0413998  -0.0311916  0.0450804   113 TYR   B HD2  
1457 H HE1  . TYR   A 101 ? 0.487672 0.499547 0.235873 -0.0668354  -0.00142225 0.010709    113 TYR   B HE1  
1458 H HE2  . TYR   A 101 ? 0.405293 0.450533 0.244104 -0.0451135  -0.0304859  0.0271083   113 TYR   B HE2  
1460 N N    . GLY   A 102 ? 0.458745 0.447476 0.244557 -0.0643632  0.00094566  0.0719358   114 GLY   B N    
1461 C CA   . GLY   A 102 ? 0.524517 0.499785 0.299593 -0.0761269  0.00722434  0.0816666   114 GLY   B CA   
1462 C C    . GLY   A 102 ? 0.547673 0.491641 0.291201 -0.0769677  -0.00497866 0.0952786   114 GLY   B C    
1463 O O    . GLY   A 102 ? 0.548003 0.484319 0.2849   -0.0653094  -0.0207226  0.0972565   114 GLY   B O    
1464 H H    . GLY   A 102 ? 0.449228 0.443931 0.253994 -0.057462   -0.00313391 0.068134    114 GLY   B H    
1465 H HA2  . GLY   A 102 ? 0.494762 0.472956 0.28849  -0.0760829  0.00750729  0.0804394   114 GLY   B HA2  
1466 H HA3  . GLY   A 102 ? 0.516608 0.499789 0.286411 -0.0840763  0.0194915   0.0808594   114 GLY   B HA3  
1467 N N    . SER   A 103 ? 0.620066 0.546363 0.345286 -0.0910439  0.002068    0.106031    115 SER   B N    
1468 C CA   . SER   A 103 ? 0.632824 0.522021 0.32604  -0.0913392  -0.0100221  0.121703    115 SER   B CA   
1469 C C    . SER   A 103 ? 0.6406   0.523942 0.295096 -0.0929796  -0.0129348  0.128348    115 SER   B C    
1470 O O    . SER   A 103 ? 0.662077 0.520775 0.291436 -0.0862787  -0.0294855  0.140377    115 SER   B O    
1471 C CB   . SER   A 103 ? 0.746265 0.610736 0.431973 -0.107162   -0.00349388 0.132219    115 SER   B CB   
1472 O OG   . SER   A 103 ? 0.827073 0.705573 0.506306 -0.126566   0.0167485   0.134171    115 SER   B OG   
1473 H H    . SER   A 103 ? 0.598192 0.534885 0.331268 -0.100479   0.014157    0.104566    115 SER   B H    
1474 H HA   . SER   A 103 ? 0.640063 0.523165 0.342381 -0.0786972  -0.0224695  0.12067     115 SER   B HA   
1475 H HB2  . SER   A 103 ? 0.773156 0.608714 0.435961 -0.105974   -0.0120444  0.143427    115 SER   B HB2  
1476 H HB3  . SER   A 103 ? 0.720315 0.587203 0.42856  -0.105496   -0.0047015  0.126579    115 SER   B HB3  
1478 N N    . ALA   A 104 ? 0.646477 0.552853 0.296241 -0.0993667  0.00131615  0.119176    116 ALA   B N    
1479 C CA   . ALA   A 104 ? 0.694669 0.594792 0.302451 -0.101583   -0.00208955 0.12206     116 ALA   B CA   
1480 C C    . ALA   A 104 ? 0.618276 0.524426 0.229809 -0.08617    -0.0248295  0.116786    116 ALA   B C    
1481 O O    . ALA   A 104 ? 0.650859 0.543493 0.227033 -0.0846538  -0.0407151  0.125253    116 ALA   B O    
1482 C CB   . ALA   A 104 ? 0.720591 0.640245 0.320513 -0.112179   0.022317    0.111099    116 ALA   B CB   
1483 H H    . ALA   A 104 ? 0.622424 0.547357 0.293677 -0.102142   0.013085    0.11085     116 ALA   B H    
1484 H HA   . ALA   A 104 ? 0.720576 0.597321 0.299491 -0.107241   -0.00543636 0.136023    116 ALA   B HA   
1485 H HB1  . ALA   A 104 ? 0.722908 0.64142  0.322198 -0.122505   0.0365324   0.116101    116 ALA   B HB1  
1486 H HB2  . ALA   A 104 ? 0.679102 0.618624 0.307161 -0.106282   0.0260506   0.0984444   116 ALA   B HB2  
1487 H HB3  . ALA   A 104 ? 0.742612 0.65559  0.309727 -0.114458   0.020303    0.111665    116 ALA   B HB3  
1488 N N    . GLY   A 105 ? 0.587616 0.516453 0.241372 -0.0761672  -0.0265539  0.103211    117 GLY   B N    
1489 C CA   . GLY   A 105 ? 0.549042 0.49108  0.214529 -0.0646392  -0.0446763  0.0962779   117 GLY   B CA   
1490 C C    . GLY   A 105 ? 0.572667 0.526115 0.219115 -0.0715343  -0.0401799  0.0837333   117 GLY   B C    
1491 O O    . GLY   A 105 ? 0.582325 0.533611 0.207914 -0.0823594  -0.0205273  0.0793518   117 GLY   B O    
1492 H H    . GLY   A 105 ? 0.553583 0.491174 0.230339 -0.0772582  -0.0163543  0.0983938   117 GLY   B H    
1493 H HA2  . GLY   A 105 ? 0.524956 0.479296 0.223041 -0.0577326  -0.0444682  0.0899045   117 GLY   B HA2  
1494 H HA3  . GLY   A 105 ? 0.579216 0.509889 0.232638 -0.059431   -0.0602555  0.106041    117 GLY   B HA3  
1495 N N    . SER   A 106 ? 0.562348 0.524456 0.209789 -0.0660593  -0.0601829  0.0799778   118 SER   B N    
1496 C CA   . SER   A 106 ? 0.607043 0.574333 0.230622 -0.0736409  -0.0630548  0.067983    118 SER   B CA   
1497 C C    . SER   A 106 ? 0.642233 0.6139   0.257199 -0.0693656  -0.0939545  0.0736542   118 SER   B C    
1498 O O    . SER   A 106 ? 0.620725 0.612761 0.26267  -0.0668289  -0.105794   0.0638222   118 SER   B O    
1499 C CB   . SER   A 106 ? 0.561    0.545602 0.217112 -0.0739737  -0.0490922  0.048181    118 SER   B CB   
1500 O OG   . SER   A 106 ? 0.601993 0.580056 0.222239 -0.0844711  -0.0433294  0.0353006   118 SER   B OG   
1501 H H    . SER   A 106 ? 0.561625 0.52693  0.226737 -0.0573759  -0.0729682  0.084701    118 SER   B H    
1502 H HA   . SER   A 106 ? 0.633137 0.588222 0.222416 -0.0819629  -0.053757   0.0694216   118 SER   B HA   
1503 H HB2  . SER   A 106 ? 0.544287 0.530309 0.216347 -0.0728016  -0.033547   0.0473823   118 SER   B HB2  
1504 H HB3  . SER   A 106 ? 0.54403  0.540729 0.226198 -0.0686158  -0.0599007  0.0456582   118 SER   B HB3  
1506 N N    . LEU   A 107 ? 0.663714 0.616211 0.235556 -0.0709657  -0.107688   0.0900033   119 LEU   B N    
1507 C CA   . LEU   A 107 ? 0.68491  0.64303  0.250057 -0.0643497  -0.140701   0.0994672   119 LEU   B CA   
1508 C C    . LEU   A 107 ? 0.752852 0.721756 0.293829 -0.0762643  -0.151784   0.0846363   119 LEU   B C    
1509 O O    . LEU   A 107 ? 0.745032 0.701643 0.24694  -0.0902314  -0.13525    0.0729472   119 LEU   B O    
1510 C CB   . LEU   A 107 ? 0.748636 0.67754  0.268771 -0.0623293  -0.152823   0.123729    119 LEU   B CB   
1511 C CG   . LEU   A 107 ? 0.743338 0.657105 0.288689 -0.048856   -0.150301   0.139471    119 LEU   B CG   
1512 C CD1  . LEU   A 107 ? 0.807706 0.687091 0.307747 -0.0475353  -0.162073   0.163916    119 LEU   B CD1  
1513 C CD2  . LEU   A 107 ? 0.690573 0.627176 0.295864 -0.0293471  -0.164343   0.13788     119 LEU   B CD2  
1514 H H    . LEU   A 107 ? 0.689101 0.625383 0.235778 -0.0763362  -0.0965076  0.0962628   119 LEU   B H    
1515 H HA   . LEU   A 107 ? 0.665409 0.638908 0.271185 -0.0536814  -0.148242   0.0996509   119 LEU   B HA   
1516 H HB2  . LEU   A 107 ? 0.775953 0.688907 0.25786  -0.0736537  -0.139542   0.124033    119 LEU   B HB2  
1517 H HB3  . LEU   A 107 ? 0.775593 0.70907  0.284375 -0.0592849  -0.176054   0.129275    119 LEU   B HB3  
1518 H HG   . LEU   A 107 ? 0.7196   0.629077 0.272849 -0.0541739  -0.128519   0.134212    119 LEU   B HG   
1519 H HD11 . LEU   A 107 ? 0.835634 0.701099 0.295449 -0.0608083  -0.151657   0.165494    119 LEU   B HD11 
1520 H HD12 . LEU   A 107 ? 0.799428 0.664486 0.313489 -0.0413017  -0.156807   0.171718    119 LEU   B HD12 
1521 H HD13 . LEU   A 107 ? 0.827358 0.7111   0.322516 -0.0398276  -0.185593   0.171184    119 LEU   B HD13 
1522 H HD21 . LEU   A 107 ? 0.654434 0.608148 0.289683 -0.0306064  -0.152081   0.124077    119 LEU   B HD21 
1523 H HD22 . LEU   A 107 ? 0.707027 0.656946 0.31407  -0.0246279  -0.184908   0.13998     119 LEU   B HD22 
1524 H HD23 . LEU   A 107 ? 0.698673 0.619266 0.310285 -0.0204373  -0.164671   0.148577    119 LEU   B HD23 
1525 N N    . PRO   A 108 ? 0.784651 0.775692 0.343528 -0.0719408  -0.181805   0.0849191   120 PRO   B N    
1526 C CA   . PRO   A 108 ? 0.763483 0.771228 0.366145 -0.0531024  -0.202617   0.0994805   120 PRO   B CA   
1527 C C    . PRO   A 108 ? 0.683259 0.717814 0.355035 -0.044054   -0.192175   0.0892771   120 PRO   B C    
1528 O O    . PRO   A 108 ? 0.666488 0.71228  0.376598 -0.0263045  -0.201241   0.0996713   120 PRO   B O    
1529 C CB   . PRO   A 108 ? 0.784155 0.811595 0.378236 -0.054426   -0.239131   0.102622    120 PRO   B CB   
1530 C CG   . PRO   A 108 ? 0.856305 0.877604 0.404766 -0.0768078  -0.236597   0.0848494   120 PRO   B CG   
1531 C CD   . PRO   A 108 ? 0.822862 0.824178 0.359393 -0.0857241  -0.197519   0.0706239   120 PRO   B CD   
1532 H HA   . PRO   A 108 ? 0.77094  0.759882 0.360694 -0.0460158  -0.201796   0.114209    120 PRO   B HA   
1533 H HB2  . PRO   A 108 ? 0.768556 0.823704 0.408515 -0.0477909  -0.248525   0.0991967   120 PRO   B HB2  
1534 H HB3  . PRO   A 108 ? 0.830264 0.84586  0.401582 -0.0478202  -0.254438   0.119272    120 PRO   B HB3  
1535 H HG2  . PRO   A 108 ? 0.833054 0.877293 0.404979 -0.081351   -0.247771   0.0741338   120 PRO   B HG2  
1536 H HG3  . PRO   A 108 ? 0.891708 0.89883  0.393926 -0.081206   -0.249681   0.093055    120 PRO   B HG3  
1537 H HD2  . PRO   A 108 ? 0.795048 0.809497 0.359042 -0.0896521  -0.189537   0.0554839   120 PRO   B HD2  
1538 H HD3  . PRO   A 108 ? 0.861402 0.843561 0.348973 -0.0959336  -0.191914   0.0682103   120 PRO   B HD3  
1539 N N    . LYS   A 109 ? 0.705498 0.747157 0.391587 -0.0544982  -0.17186    0.0700823   121 LYS   B N    
1540 C CA   . LYS   A 109 ? 0.657113 0.723071 0.404027 -0.0468016  -0.163212   0.0627186   121 LYS   B CA   
1541 C C    . LYS   A 109 ? 0.643557 0.698877 0.411217 -0.0328127  -0.147093   0.0713166   121 LYS   B C    
1542 O O    . LYS   A 109 ? 0.585471 0.658435 0.39681  -0.019794   -0.149001   0.073238    121 LYS   B O    
1543 C CB   . LYS   A 109 ? 0.703421 0.775398 0.461634 -0.0600047  -0.146128   0.0425164   121 LYS   B CB   
1544 C CG   . LYS   A 109 ? 0.762698 0.848884 0.513507 -0.0748483  -0.164536   0.03058     121 LYS   B CG   
1545 C CD   . LYS   A 109 ? 0.742277 0.834286 0.516189 -0.0864357  -0.150083   0.0116016   121 LYS   B CD   
1546 C CE   . LYS   A 109 ? 0.858076 0.96399  0.629182 -0.103348   -0.171038   -0.00026636 121 LYS   B CE   
1547 N NZ   . LYS   A 109 ? 0.843596 0.990692 0.6686   -0.0995004  -0.190912   0.00543008  121 LYS   B NZ   
1548 H H    . LYS   A 109 ? 0.707503 0.738134 0.365629 -0.0655952  -0.162893   0.0619267   121 LYS   B H    
1549 H HA   . LYS   A 109 ? 0.66913  0.756423 0.439623 -0.0416262  -0.180883   0.065473    121 LYS   B HA   
1550 H HB2  . LYS   A 109 ? 0.699476 0.75267  0.433491 -0.0650598  -0.130144   0.0388175   121 LYS   B HB2  
1551 H HB3  . LYS   A 109 ? 0.660012 0.744048 0.454443 -0.0544365  -0.138139   0.0403751   121 LYS   B HB3  
1552 H HG2  . LYS   A 109 ? 0.756268 0.862961 0.52733  -0.0700391  -0.183758   0.0367525   121 LYS   B HG2  
1553 H HG3  . LYS   A 109 ? 0.79048  0.86048  0.498839 -0.082358   -0.168311   0.0295669   121 LYS   B HG3  
1554 H HD2  . LYS   A 109 ? 0.763699 0.835304 0.516331 -0.0901985  -0.132562   0.00514468  121 LYS   B HD2  
1555 H HD3  . LYS   A 109 ? 0.727512 0.833226 0.539564 -0.0794029  -0.14367    0.0135598   121 LYS   B HD3  
1556 H HE2  . LYS   A 109 ? 0.873943 0.970576 0.607717 -0.108301   -0.183396   0.00072211  121 LYS   B HE2  
1557 H HE3  . LYS   A 109 ? 0.837201 0.933591 0.606758 -0.112938   -0.15911    -0.013276   121 LYS   B HE3  
1558 H HZ1  . LYS   A 109 ? 0.843119 0.998261 0.671275 -0.0885159  -0.201879   0.0174966   121 LYS   B HZ1  
1559 H HZ2  . LYS   A 109 ? 0.810709 0.9659   0.667635 -0.0960961  -0.178284   0.004073    121 LYS   B HZ2  
1560 H HZ3  . LYS   A 109 ? 0.860513 1.01733  0.684242 -0.111589   -0.204719   -0.00169381 121 LYS   B HZ3  
1561 N N    . ILE   A 110 ? 0.604233 0.632414 0.343351 -0.0369553  -0.12846    0.0741498   122 ILE   B N    
1562 C CA   . ILE   A 110 ? 0.579595 0.599582 0.340763 -0.0285772  -0.112041   0.0774128   122 ILE   B CA   
1563 C C    . ILE   A 110 ? 0.59361  0.582998 0.32438  -0.0257073  -0.113101   0.0940648   122 ILE   B C    
1564 O O    . ILE   A 110 ? 0.635082 0.606151 0.324989 -0.0376703  -0.10593    0.0973805   122 ILE   B O    
1565 C CB   . ILE   A 110 ? 0.542843 0.561513 0.307685 -0.037978   -0.086409   0.0649627   122 ILE   B CB   
1566 C CG1  . ILE   A 110 ? 0.558817 0.596469 0.341404 -0.044529   -0.0825543  0.0486443   122 ILE   B CG1  
1567 C CG2  . ILE   A 110 ? 0.491177 0.505476 0.280695 -0.030214   -0.0740221  0.0677497   122 ILE   B CG2  
1568 C CD1  . ILE   A 110 ? 0.585721 0.647829 0.414278 -0.0366084  -0.0888441  0.0455039   122 ILE   B CD1  
1569 H H    . ILE   A 110 ? 0.639864 0.655411 0.345495 -0.045858   -0.125803   0.0736424   122 ILE   B H    
1570 H HA   . ILE   A 110 ? 0.554163 0.588014 0.346954 -0.0190978  -0.116291   0.0770312   122 ILE   B HA   
1571 H HB   . ILE   A 110 ? 0.56661  0.571628 0.302093 -0.0456328  -0.0799854  0.0664222   122 ILE   B HB   
1572 H HG12 . ILE   A 110 ? 0.586214 0.623129 0.348145 -0.0512996  -0.0908713  0.0457707   122 ILE   B HG12 
1573 H HG13 . ILE   A 110 ? 0.551634 0.585003 0.334197 -0.0483818  -0.0666214  0.0426517   122 ILE   B HG13 
1574 H HG21 . ILE   A 110 ? 0.477108 0.497597 0.27846  -0.0335387  -0.0614859  0.0597322   122 ILE   B HG21 
1575 H HG22 . ILE   A 110 ? 0.488519 0.510383 0.299284 -0.0206082  -0.081639   0.0698431   122 ILE   B HG22 
1576 H HG23 . ILE   A 110 ? 0.514006 0.511166 0.285529 -0.0318471  -0.071036   0.0753777   122 ILE   B HG23 
1577 H HD11 . ILE   A 110 ? 0.546138 0.607606 0.391439 -0.0303115  -0.0797936  0.0471863   122 ILE   B HD11 
1578 H HD12 . ILE   A 110 ? 0.559943 0.630152 0.396074 -0.0432778  -0.0859268  0.0360341   122 ILE   B HD12 
1579 H HD13 . ILE   A 110 ? 0.576654 0.646964 0.410303 -0.0314483  -0.104448   0.0512677   122 ILE   B HD13 
1580 N N    . PRO   A 111 ? 0.615131 0.595594 0.363243 -0.0107303  -0.119782   0.10435     123 PRO   B N    
1581 C CA   . PRO   A 111 ? 0.592483 0.536073 0.310053 -0.00931117 -0.120869   0.121058    123 PRO   B CA   
1582 C C    . PRO   A 111 ? 0.585921 0.51391  0.300454 -0.0198467  -0.0969822  0.117725    123 PRO   B C    
1583 O O    . PRO   A 111 ? 0.548149 0.494787 0.287934 -0.0235635  -0.0822137  0.103806    123 PRO   B O    
1584 C CB   . PRO   A 111 ? 0.601945 0.542758 0.34498  0.0127158   -0.136623   0.129547    123 PRO   B CB   
1585 C CG   . PRO   A 111 ? 0.625546 0.602128 0.419588 0.0206883   -0.131478   0.11398     123 PRO   B CG   
1586 C CD   . PRO   A 111 ? 0.599383 0.603069 0.395334 0.00571541  -0.126814   0.100569    123 PRO   B CD   
1587 H HA   . PRO   A 111 ? 0.638257 0.571927 0.323104 -0.0154     -0.128118   0.128356    123 PRO   B HA   
1588 H HB2  . PRO   A 111 ? 0.627413 0.543343 0.364597 0.0157386   -0.131575   0.135689    123 PRO   B HB2  
1589 H HB3  . PRO   A 111 ? 0.641979 0.583347 0.374701 0.0182958   -0.154227   0.138352    123 PRO   B HB3  
1590 H HG2  . PRO   A 111 ? 0.588888 0.558537 0.393928 0.0216173   -0.118331   0.109433    123 PRO   B HG2  
1591 H HG3  . PRO   A 111 ? 0.609577 0.59742  0.423395 0.0343214   -0.144024   0.117291    123 PRO   B HG3  
1592 H HD2  . PRO   A 111 ? 0.566402 0.580921 0.383261 0.00391799  -0.113933   0.0906986   123 PRO   B HD2  
1593 H HD3  . PRO   A 111 ? 0.601696 0.623944 0.406347 0.00834411  -0.140907   0.100269    123 PRO   B HD3  
1594 N N    . SER   A 112 ? 0.574958 0.468915 0.259382 -0.0253154  -0.0944069  0.131718    124 SER   B N    
1595 C CA   . SER   A 112 ? 0.574743 0.455376 0.259321 -0.0372678  -0.0745467  0.130263    124 SER   B CA   
1596 C C    . SER   A 112 ? 0.537731 0.42292  0.26204  -0.0262868  -0.0717068  0.12137     124 SER   B C    
1597 O O    . SER   A 112 ? 0.543596 0.421178 0.28072  -0.0088547  -0.0845823  0.124565    124 SER   B O    
1598 C CB   . SER   A 112 ? 0.618741 0.458199 0.264406 -0.0454875  -0.075434   0.149266    124 SER   B CB   
1599 O OG   . SER   A 112 ? 0.648864 0.472877 0.301442 -0.056496   -0.0604008  0.148998    124 SER   B OG   
1600 H H    . SER   A 112 ? 0.620455 0.499147 0.283678 -0.0222467  -0.10623    0.143251    124 SER   B H    
1601 H HA   . SER   A 112 ? 0.556856 0.452288 0.240646 -0.0474642  -0.0624059  0.122595    124 SER   B HA   
1602 H HB2  . SER   A 112 ? 0.650023 0.488364 0.268439 -0.0552744  -0.072612   0.15348     124 SER   B HB2  
1603 H HB3  . SER   A 112 ? 0.650171 0.473632 0.291446 -0.0338363  -0.0898626  0.158215    124 SER   B HB3  
1605 N N    . ASN   A 113 ? 0.526141 0.423983 0.266667 -0.0360667  -0.0551888  0.110921    125 ASN   B N    
1606 C CA   . ASN   A 113 ? 0.550994 0.446353 0.316807 -0.0315219  -0.0505598  0.103558    125 ASN   B CA   
1607 C C    . ASN   A 113 ? 0.544549 0.462055 0.340988 -0.0138249  -0.0562816  0.0935946   125 ASN   B C    
1608 O O    . ASN   A 113 ? 0.50415  0.410436 0.31322  -0.002169   -0.0584574  0.0909029   125 ASN   B O    
1609 C CB   . ASN   A 113 ? 0.58943  0.44278  0.339385 -0.0320052  -0.0542971  0.113461    125 ASN   B CB   
1610 C CG   . ASN   A 113 ? 0.622332 0.460184 0.350619 -0.0547949  -0.0435465  0.121022    125 ASN   B CG   
1611 O OD1  . ASN   A 113 ? 0.677564 0.542652 0.414463 -0.0674291  -0.0306603  0.114648    125 ASN   B OD1  
1612 N ND2  . ASN   A 113 ? 0.684855 0.480947 0.388561 -0.0598218  -0.0474177  0.134238    125 ASN   B ND2  
1613 H H    . ASN   A 113 ? 0.524784 0.433609 0.259738 -0.0458146  -0.046507   0.107916    125 ASN   B H    
1614 H HA   . ASN   A 113 ? 0.528432 0.43543  0.301495 -0.0411414  -0.0399014  0.0979163   125 ASN   B HA   
1615 H HB2  . ASN   A 113 ? 0.615136 0.453486 0.35419  -0.0226697  -0.0648283  0.121684    125 ASN   B HB2  
1616 H HB3  . ASN   A 113 ? 0.581334 0.431705 0.345958 -0.0270771  -0.0529761  0.106752    125 ASN   B HB3  
1617 H HD21 . ASN   A 113 ? 0.698395 0.48563  0.388015 -0.0745559  -0.040721   0.140333    125 ASN   B HD21 
1618 H HD22 . ASN   A 113 ? 0.696632 0.47246  0.398042 -0.0484664  -0.0561366  0.137369    125 ASN   B HD22 
1619 N N    . ALA   A 114 ? 0.477205 0.42413  0.283901 -0.0126165  -0.0576771  0.0877617   126 ALA   B N    
1620 C CA   . ALA   A 114 ? 0.494706 0.46603  0.331469 0.00047575  -0.0618911  0.0798205   126 ALA   B CA   
1621 C C    . ALA   A 114 ? 0.47566  0.463279 0.335022 -0.00146011 -0.0484912  0.0681209   126 ALA   B C    
1622 O O    . ALA   A 114 ? 0.45394  0.450039 0.311853 -0.0128172  -0.0384242  0.0636957   126 ALA   B O    
1623 C CB   . ALA   A 114 ? 0.49831  0.491263 0.335701 -0.00066695 -0.0707062  0.0786784   126 ALA   B CB   
1624 H H    . ALA   A 114 ? 0.500349 0.451754 0.29457  -0.0212243  -0.0549939  0.0883363   126 ALA   B H    
1625 H HA   . ALA   A 114 ? 0.502137 0.464117 0.344034 0.0118687   -0.0683745  0.0832408   126 ALA   B HA   
1626 H HB1  . ALA   A 114 ? 0.522189 0.505405 0.343998 0.00150922  -0.0813831  0.0869141   126 ALA   B HB1  
1627 H HB2  . ALA   A 114 ? 0.490095 0.488467 0.320063 -0.0109286  -0.0636487  0.0744394   126 ALA   B HB2  
1628 H HB3  . ALA   A 114 ? 0.48076  0.491663 0.340958 0.00625083  -0.0729815  0.0738549   126 ALA   B HB3  
1629 N N    . THR   A 115 ? 0.45426  0.445007 0.333061 0.0110938   -0.0481195  0.0638756   127 THR   B N    
1630 C CA   . THR   A 115 ? 0.394298 0.403756 0.292771 0.0111375   -0.0375766  0.0541982   127 THR   B CA   
1631 C C    . THR   A 115 ? 0.369742 0.408849 0.290382 0.0144104   -0.0392632  0.0505284   127 THR   B C    
1632 O O    . THR   A 115 ? 0.401519 0.451008 0.33532  0.0244549   -0.0482899  0.0528291   127 THR   B O    
1633 C CB   . THR   A 115 ? 0.438517 0.434392 0.340562 0.0211025   -0.0338608  0.0504526   127 THR   B CB   
1634 O OG1  . THR   A 115 ? 0.441151 0.409212 0.321926 0.0122119   -0.0330868  0.0527193   127 THR   B OG1  
1635 C CG2  . THR   A 115 ? 0.451551 0.465344 0.368501 0.0222258   -0.0232532  0.0420043   127 THR   B CG2  
1636 H H    . THR   A 115 ? 0.46594  0.445886 0.344433 0.0203224   -0.0538627  0.0673433   127 THR   B H    
1637 H HA   . THR   A 115 ? 0.397447 0.407555 0.290717 0.00174025  -0.0317746  0.0526669   127 THR   B HA   
1638 H HB   . THR   A 115 ? 0.446615 0.439101 0.353744 0.0322313   -0.0389279  0.0523476   127 THR   B HB   
1640 H HG21 . THR   A 115 ? 0.450946 0.45246  0.36329  0.0266386   -0.0202708  0.0387534   127 THR   B HG21 
1641 H HG22 . THR   A 115 ? 0.428849 0.447902 0.343238 0.0130051   -0.0197568  0.041298    127 THR   B HG22 
1642 H HG23 . THR   A 115 ? 0.431914 0.463334 0.364565 0.0275213   -0.0229246  0.0408749   127 THR   B HG23 
1643 N N    . LEU   A 116 ? 0.376863 0.429902 0.304723 0.00604543  -0.0304313  0.044968    128 LEU   B N    
1644 C CA   . LEU   A 116 ? 0.337726 0.414199 0.283676 0.00321946  -0.030653   0.0409817   128 LEU   B CA   
1645 C C    . LEU   A 116 ? 0.353304 0.441287 0.317228 0.00517904  -0.019138   0.0366698   128 LEU   B C    
1646 O O    . LEU   A 116 ? 0.31334  0.391205 0.26921  0.00435172  -0.0110416  0.0359255   128 LEU   B O    
1647 C CB   . LEU   A 116 ? 0.402607 0.477757 0.33621  -0.00948803 -0.0287078  0.0382787   128 LEU   B CB   
1648 C CG   . LEU   A 116 ? 0.442029 0.504167 0.349215 -0.0151436  -0.0353544  0.0417593   128 LEU   B CG   
1649 C CD1  . LEU   A 116 ? 0.448225 0.5123   0.345463 -0.0260857  -0.0318866  0.0349863   128 LEU   B CD1  
1650 C CD2  . LEU   A 116 ? 0.431215 0.494593 0.336554 -0.00873385 -0.050434   0.0475774   128 LEU   B CD2  
1651 H H    . LEU   A 116 ? 0.359418 0.406325 0.281247 0.00154095  -0.0244463  0.0438783   128 LEU   B H    
1652 H HA   . LEU   A 116 ? 0.366215 0.451061 0.320043 0.0078744   -0.0390287  0.0427353   128 LEU   B HA   
1653 H HB2  . LEU   A 116 ? 0.381942 0.453099 0.314161 -0.0119932  -0.0201971  0.0367073   128 LEU   B HB2  
1654 H HB3  . LEU   A 116 ? 0.386416 0.473592 0.330855 -0.0124185  -0.0298101  0.0349468   128 LEU   B HB3  
1655 H HG   . LEU   A 116 ? 0.436339 0.48662  0.333103 -0.0159777  -0.0310663  0.0445366   128 LEU   B HG   
1656 H HD11 . LEU   A 116 ? 0.437627 0.500499 0.338809 -0.0278539  -0.0218709  0.0318951   128 LEU   B HD11 
1657 H HD12 . LEU   A 116 ? 0.463629 0.519003 0.340662 -0.0298338  -0.0342815  0.0368955   128 LEU   B HD12 
1658 H HD13 . LEU   A 116 ? 0.447467 0.521728 0.354025 -0.0275225  -0.0371439  0.0317737   128 LEU   B HD13 
1659 H HD21 . LEU   A 116 ? 0.443143 0.49725  0.3478   -0.00182486 -0.0513309  0.0519773   128 LEU   B HD21 
1660 H HD22 . LEU   A 116 ? 0.432633 0.512158 0.355927 -0.00623864 -0.0546394  0.045231    128 LEU   B HD22 
1661 H HD23 . LEU   A 116 ? 0.45615  0.513138 0.342631 -0.0137697  -0.0557662  0.0497155   128 LEU   B HD23 
1662 N N    . PHE   A 117 ? 0.331389 0.44163  0.318176 0.00507291  -0.0192039  0.0345359   129 PHE   B N    
1663 C CA   . PHE   A 117 ? 0.320701 0.443278 0.32386  0.00467759  -0.00670731 0.0321354   129 PHE   B CA   
1664 C C    . PHE   A 117 ? 0.302172 0.436354 0.316297 -0.00826679 -0.00612019 0.0297966   129 PHE   B C    
1665 O O    . PHE   A 117 ? 0.31594  0.462053 0.338447 -0.0132728  -0.0172901  0.0283715   129 PHE   B O    
1666 C CB   . PHE   A 117 ? 0.316349 0.454889 0.340092 0.0170975   -0.00355843 0.0317745   129 PHE   B CB   
1667 C CG   . PHE   A 117 ? 0.366826 0.52344  0.408744 0.0132514   0.010924    0.030144    129 PHE   B CG   
1668 C CD1  . PHE   A 117 ? 0.361238 0.544286 0.430446 0.00449436  0.0102467   0.0297281   129 PHE   B CD1  
1669 C CD2  . PHE   A 117 ? 0.350299 0.496132 0.378901 0.0152147   0.0248742   0.0296372   129 PHE   B CD2  
1670 C CE1  . PHE   A 117 ? 0.360817 0.557389 0.444429 -0.00230303 0.0256602   0.0299451   129 PHE   B CE1  
1671 C CE2  . PHE   A 117 ? 0.346823 0.506613 0.386727 0.0104939   0.0396796   0.0302332   129 PHE   B CE2  
1672 C CZ   . PHE   A 117 ? 0.322402 0.506153 0.389672 0.00091759  0.040813    0.0310435   129 PHE   B CZ   
1673 H H    . PHE   A 117 ? 0.339243 0.457911 0.331288 0.00414409  -0.0275382  0.0351022   129 PHE   B H    
1674 H HA   . PHE   A 117 ? 0.315588 0.426227 0.306925 0.00405794  -0.00026481 0.0322406   129 PHE   B HA   
1675 H HB2  . PHE   A 117 ? 0.336458 0.461227 0.34893  0.0246048   -0.00166876 0.0317188   129 PHE   B HB2  
1676 H HB3  . PHE   A 117 ? 0.333163 0.483559 0.369235 0.0202187   -0.0125021  0.0328182   129 PHE   B HB3  
1677 H HD1  . PHE   A 117 ? 0.360746 0.551496 0.436924 0.00151531  -0.00085489 0.0295905   129 PHE   B HD1  
1678 H HD2  . PHE   A 117 ? 0.358423 0.48715  0.368937 0.019487    0.0241707   0.029124    129 PHE   B HD2  
1679 H HE1  . PHE   A 117 ? 0.348569 0.5633   0.45236  -0.0103392  0.0252309   0.0296894   129 PHE   B HE1  
1680 H HE2  . PHE   A 117 ? 0.350335 0.501027 0.376259 0.0117524   0.0483461   0.0305563   129 PHE   B HE2  
1681 H HZ   . PHE   A 117 ? 0.340748 0.533201 0.415657 -0.00398874 0.051916    0.0323905   129 PHE   B HZ   
1682 N N    . PHE   A 118 ? 0.321689 0.44899  0.332719 -0.0146221  0.00510048  0.0295322   130 PHE   B N    
1683 C CA   . PHE   A 118 ? 0.303991 0.436513 0.325782 -0.0272946  0.00768994  0.0272331   130 PHE   B CA   
1684 C C    . PHE   A 118 ? 0.326845 0.462947 0.358222 -0.0300821  0.0221501   0.0304151   130 PHE   B C    
1685 O O    . PHE   A 118 ? 0.360152 0.485898 0.378539 -0.0235354  0.0302675   0.0342052   130 PHE   B O    
1686 C CB   . PHE   A 118 ? 0.290998 0.401506 0.294369 -0.0342922  0.00837287  0.0247359   130 PHE   B CB   
1687 C CG   . PHE   A 118 ? 0.336548 0.439806 0.323632 -0.0354744  -0.00205232 0.0209663   130 PHE   B CG   
1688 C CD1  . PHE   A 118 ? 0.37532  0.470126 0.346305 -0.0277588  -0.00430323 0.0239613   130 PHE   B CD1  
1689 C CD2  . PHE   A 118 ? 0.360596 0.464969 0.346243 -0.0460397  -0.0094723  0.0146184   130 PHE   B CD2  
1690 C CE1  . PHE   A 118 ? 0.336519 0.423056 0.288744 -0.0306283  -0.0106659  0.0219809   130 PHE   B CE1  
1691 C CE2  . PHE   A 118 ? 0.359574 0.45524  0.322648 -0.0476588  -0.0179842  0.0114124   130 PHE   B CE2  
1692 C CZ   . PHE   A 118 ? 0.367263 0.454647 0.314084 -0.0395575  -0.0174069  0.0160583   130 PHE   B CZ   
1693 H H    . PHE   A 118 ? 0.310265 0.427906 0.311545 -0.0113785  0.0104267   0.0311057   130 PHE   B H    
1694 H HA   . PHE   A 118 ? 0.310778 0.45768  0.345481 -0.0305857  0.00057055  0.0252647   130 PHE   B HA   
1695 H HB2  . PHE   A 118 ? 0.301489 0.40161  0.295989 -0.0301134  0.014123    0.0275468   130 PHE   B HB2  
1696 H HB3  . PHE   A 118 ? 0.310301 0.420073 0.32022  -0.0426226  0.0112803   0.0228631   130 PHE   B HB3  
1697 H HD1  . PHE   A 118 ? 0.346119 0.438731 0.316658 -0.0222133  -0.00026277 0.0271817   130 PHE   B HD1  
1698 H HD2  . PHE   A 118 ? 0.358086 0.467973 0.355696 -0.0534424  -0.0086931  0.0122616   130 PHE   B HD2  
1699 H HE1  . PHE   A 118 ? 0.351972 0.432507 0.293791 -0.027167   -0.0111013  0.0249077   130 PHE   B HE1  
1700 H HE2  . PHE   A 118 ? 0.379083 0.473833 0.336715 -0.0556266  -0.0237529  0.00606722  130 PHE   B HE2  
1701 H HZ   . PHE   A 118 ? 0.3737   0.454696 0.30346  -0.0416235  -0.0215376  0.0148835   130 PHE   B HZ   
1702 N N    . GLU   A 119 ? 0.309961 0.460411 0.362113 -0.0417962  0.0245691   0.0292215   131 GLU   B N    
1703 C CA   . GLU   A 119 ? 0.332546 0.477752 0.388491 -0.0510955  0.0388876   0.0334522   131 GLU   B CA   
1704 C C    . GLU   A 119 ? 0.314929 0.437827 0.362782 -0.0640313  0.036523    0.0304974   131 GLU   B C    
1705 O O    . GLU   A 119 ? 0.424345 0.551855 0.479245 -0.073791   0.0261273   0.0231615   131 GLU   B O    
1706 C CB   . GLU   A 119 ? 0.312766 0.489407 0.400107 -0.05749    0.0463346   0.0345466   131 GLU   B CB   
1707 C CG   . GLU   A 119 ? 0.374007 0.546467 0.466053 -0.070965   0.06269     0.0405234   131 GLU   B CG   
1708 C CD   . GLU   A 119 ? 0.349389 0.558987 0.476547 -0.0785485  0.0733284   0.0419604   131 GLU   B CD   
1709 O OE1  . GLU   A 119 ? 0.358586 0.584224 0.489511 -0.0673325  0.0857619   0.0445051   131 GLU   B OE1  
1710 O OE2  . GLU   A 119 ? 0.350104 0.573086 0.501858 -0.097284   0.0691287   0.0392884   131 GLU   B OE2  
1711 H H    . GLU   A 119 ? 0.318136 0.48187  0.38232  -0.0451995  0.016554    0.0262969   131 GLU   B H    
1712 H HA   . GLU   A 119 ? 0.321641 0.4556   0.363385 -0.0446857  0.0453176   0.0375305   131 GLU   B HA   
1713 H HB2  . GLU   A 119 ? 0.322061 0.510752 0.413311 -0.0468494  0.0493367   0.0353224   131 GLU   B HB2  
1714 H HB3  . GLU   A 119 ? 0.326626 0.517775 0.430026 -0.0634855  0.0373416   0.0305471   131 GLU   B HB3  
1715 H HG2  . GLU   A 119 ? 0.366584 0.524071 0.455236 -0.0816701  0.0598448   0.039357    131 GLU   B HG2  
1716 H HG3  . GLU   A 119 ? 0.360937 0.51797  0.434002 -0.0650458  0.0702488   0.0454007   131 GLU   B HG3  
1717 N N    . ILE   A 120 ? 0.367381 0.46343  0.39764  -0.0629917  0.0452474   0.0358942   132 ILE   B N    
1718 C CA   . ILE   A 120 ? 0.352327 0.419924 0.372579 -0.070712   0.0453867   0.0330304   132 ILE   B CA   
1719 C C    . ILE   A 120 ? 0.415388 0.466269 0.436238 -0.0796896  0.0579051   0.0414721   132 ILE   B C    
1720 O O    . ILE   A 120 ? 0.37238  0.418826 0.38351  -0.0720289  0.0655946   0.0518547   132 ILE   B O    
1721 C CB   . ILE   A 120 ? 0.376803 0.424071 0.376288 -0.0576983  0.043115    0.0328104   132 ILE   B CB   
1722 C CG1  . ILE   A 120 ? 0.339859 0.40088  0.335009 -0.0504779  0.0328337   0.0269044   132 ILE   B CG1  
1723 C CG2  . ILE   A 120 ? 0.402915 0.419443 0.39411  -0.062928   0.0457484   0.028024    132 ILE   B CG2  
1724 C CD1  . ILE   A 120 ? 0.35181  0.400301 0.331785 -0.03986    0.0325612   0.0271944   132 ILE   B CD1  
1725 H H    . ILE   A 120 ? 0.347601 0.442142 0.371319 -0.0565496  0.0509056   0.0414072   132 ILE   B H    
1726 H HA   . ILE   A 120 ? 0.375367 0.446738 0.401739 -0.0789782  0.0392742   0.0258895   132 ILE   B HA   
1727 H HB   . ILE   A 120 ? 0.366373 0.410566 0.360338 -0.050669   0.047308    0.0401035   132 ILE   B HB   
1728 H HG12 . ILE   A 120 ? 0.352677 0.416252 0.350024 -0.0573786  0.0274708   0.0202998   132 ILE   B HG12 
1729 H HG13 . ILE   A 120 ? 0.336484 0.413283 0.337118 -0.0465931  0.0314745   0.0295413   132 ILE   B HG13 
1730 H HG21 . ILE   A 120 ? 0.400982 0.408905 0.383103 -0.0537773  0.0454418   0.0274452   132 ILE   B HG21 
1731 H HG22 . ILE   A 120 ? 0.408877 0.426467 0.402601 -0.0718284  0.041457    0.0198145   132 ILE   B HG22 
1732 H HG23 . ILE   A 120 ? 0.416711 0.420151 0.408582 -0.0665338  0.0522342   0.033637    132 ILE   B HG23 
1733 H HD11 . ILE   A 120 ? 0.346529 0.390938 0.324569 -0.0343133  0.0365284   0.0336754   132 ILE   B HD11 
1734 H HD12 . ILE   A 120 ? 0.337617 0.395581 0.314739 -0.0363632  0.0273094   0.0258348   132 ILE   B HD12 
1735 H HD13 . ILE   A 120 ? 0.359248 0.394388 0.33429  -0.0422588  0.0338092   0.0223635   132 ILE   B HD13 
1736 N N    . GLU   A 121 ? 0.433314 0.470181 0.460577 -0.096523   0.0585051   0.0366174   133 GLU   B N    
1737 C CA   . GLU   A 121 ? 0.477029 0.484302 0.498443 -0.105315   0.070209    0.0456132   133 GLU   B CA   
1738 C C    . GLU   A 121 ? 0.476872 0.441675 0.480704 -0.102375   0.0688409   0.040964    133 GLU   B C    
1739 O O    . GLU   A 121 ? 0.551307 0.50876  0.554846 -0.110169   0.0617863   0.0265358   133 GLU   B O    
1740 C CB   . GLU   A 121 ? 0.457132 0.475072 0.500606 -0.129728   0.0747215   0.0444387   133 GLU   B CB   
1741 C CG   . GLU   A 121 ? 0.531475 0.513057 0.566034 -0.141421   0.0882181   0.0559359   133 GLU   B CG   
1742 C CD   . GLU   A 121 ? 0.545149 0.535197 0.601838 -0.169147   0.0963216   0.0579154   133 GLU   B CD   
1743 O OE1  . GLU   A 121 ? 0.559135 0.595426 0.645488 -0.178185   0.0927582   0.0519569   133 GLU   B OE1  
1744 O OE2  . GLU   A 121 ? 0.520268 0.471073 0.566549 -0.182091   0.10658     0.0668152   133 GLU   B OE2  
1745 H H    . GLU   A 121 ? 0.436676 0.480098 0.470029 -0.103135   0.051258    0.0281409   133 GLU   B H    
1746 H HA   . GLU   A 121 ? 0.461105 0.468089 0.475438 -0.0976061  0.0762889   0.0555381   133 GLU   B HA   
1747 H HB2  . GLU   A 121 ? 0.457776 0.50651  0.516229 -0.130057   0.0767459   0.046719    133 GLU   B HB2  
1748 H HB3  . GLU   A 121 ? 0.477144 0.495296 0.526032 -0.13823    0.0666464   0.0339921   133 GLU   B HB3  
1749 H HG2  . GLU   A 121 ? 0.538689 0.488226 0.560052 -0.13982    0.0860053   0.0527523   133 GLU   B HG2  
1750 H HG3  . GLU   A 121 ? 0.519841 0.498824 0.543779 -0.131561   0.0946705   0.066774    133 GLU   B HG3  
1751 N N    . LEU   A 122 ? 0.484684 0.423781 0.473033 -0.0892682  0.074507    0.0521817   134 LEU   B N    
1752 C CA   . LEU   A 122 ? 0.539598 0.437159 0.514956 -0.0820653  0.0759212   0.0500598   134 LEU   B CA   
1753 C C    . LEU   A 122 ? 0.585232 0.443334 0.558145 -0.0988483  0.0838951   0.0529926   134 LEU   B C    
1754 O O    . LEU   A 122 ? 0.583492 0.427448 0.551933 -0.102338   0.0919096   0.0695992   134 LEU   B O    
1755 C CB   . LEU   A 122 ? 0.558987 0.449209 0.523728 -0.0591714  0.0760648   0.062447    134 LEU   B CB   
1756 C CG   . LEU   A 122 ? 0.583035 0.434096 0.540266 -0.0459236  0.0783616   0.0619503   134 LEU   B CG   
1757 C CD1  . LEU   A 122 ? 0.57309  0.421216 0.531056 -0.045635   0.0764993   0.0405763   134 LEU   B CD1  
1758 C CD2  . LEU   A 122 ? 0.565598 0.424022 0.520134 -0.0235408  0.0747512   0.0746271   134 LEU   B CD2  
1759 H H    . LEU   A 122 ? 0.485238 0.433183 0.470928 -0.0835663  0.0774247   0.0616828   134 LEU   B H    
1760 H HA   . LEU   A 122 ? 0.533366 0.432493 0.508415 -0.0813492  0.0711497   0.0376877   134 LEU   B HA   
1761 H HB2  . LEU   A 122 ? 0.525128 0.43922  0.491896 -0.0511663  0.0708336   0.0593564   134 LEU   B HB2  
1762 H HB3  . LEU   A 122 ? 0.55885  0.448427 0.519881 -0.060084   0.0796057   0.0748682   134 LEU   B HB3  
1763 H HG   . LEU   A 122 ? 0.612449 0.434704 0.565508 -0.0526326  0.0835803   0.066931    134 LEU   B HG   
1764 H HD11 . LEU   A 122 ? 0.59142  0.427728 0.548494 -0.0604465  0.0776546   0.0325158   134 LEU   B HD11 
1765 H HD12 . LEU   A 122 ? 0.591441 0.420677 0.546519 -0.0330936  0.0792762   0.0398648   134 LEU   B HD12 
1766 H HD13 . LEU   A 122 ? 0.546918 0.423317 0.508053 -0.043418   0.0716002   0.0361665   134 LEU   B HD13 
1767 H HD21 . LEU   A 122 ? 0.570306 0.431851 0.519793 -0.0246194  0.0749358   0.0870667   134 LEU   B HD21 
1768 H HD22 . LEU   A 122 ? 0.540585 0.424191 0.499472 -0.0182321  0.0701005   0.0689964   134 LEU   B HD22 
1769 H HD23 . LEU   A 122 ? 0.589783 0.424673 0.543067 -0.0134363  0.0766545   0.0761609   134 LEU   B HD23 
1770 N N    . LEU   A 123 ? 0.618979 0.455681 0.591109 -0.111187   0.0817712   0.0364969   135 LEU   B N    
1771 C CA   . LEU   A 123 ? 0.67729  0.474314 0.647628 -0.13249    0.0882292   0.0361892   135 LEU   B CA   
1772 C C    . LEU   A 123 ? 0.755479 0.494018 0.707623 -0.118404   0.0948928   0.0404628   135 LEU   B C    
1773 O O    . LEU   A 123 ? 0.827722 0.528997 0.77373  -0.125476   0.102965    0.0539749   135 LEU   B O    
1774 C CB   . LEU   A 123 ? 0.677956 0.478366 0.654148 -0.15531    0.0807504   0.0149833   135 LEU   B CB   
1775 C CG   . LEU   A 123 ? 0.66451  0.524777 0.662318 -0.165981   0.0707759   0.0100796   135 LEU   B CG   
1776 C CD1  . LEU   A 123 ? 0.690299 0.552061 0.687116 -0.183981   0.0579937   -0.0123347  135 LEU   B CD1  
1777 C CD2  . LEU   A 123 ? 0.709171 0.591996 0.728648 -0.182651   0.0782025   0.0242057   135 LEU   B CD2  
1778 H H    . LEU   A 123 ? 0.607172 0.452219 0.577768 -0.107391   0.0762867   0.0250657   135 LEU   B H    
1779 H HA   . LEU   A 123 ? 0.680994 0.486485 0.657893 -0.141543   0.0931369   0.0478596   135 LEU   B HA   
1780 H HB2  . LEU   A 123 ? 0.69392  0.479214 0.658312 -0.147036   0.0778928   0.00334906  135 LEU   B HB2  
1781 H HB3  . LEU   A 123 ? 0.721212 0.495693 0.697461 -0.172183   0.0849285   0.015127    135 LEU   B HB3  
1782 H HG   . LEU   A 123 ? 0.6373   0.520621 0.634431 -0.14929    0.0677971   0.0125267   135 LEU   B HG   
1783 H HD11 . LEU   A 123 ? 0.698698 0.537778 0.677069 -0.174445   0.0570421   -0.0213361  135 LEU   B HD11 
1784 H HD12 . LEU   A 123 ? 0.659782 0.56037  0.668861 -0.185006   0.0495252   -0.0144201  135 LEU   B HD12 
1785 H HD13 . LEU   A 123 ? 0.716315 0.56237  0.717753 -0.204008   0.0592618   -0.0152024  135 LEU   B HD13 
1786 H HD21 . LEU   A 123 ? 0.684971 0.570138 0.700521 -0.170201   0.0849099   0.0373067   135 LEU   B HD21 
1787 H HD22 . LEU   A 123 ? 0.728543 0.58526  0.747812 -0.199331   0.0827739   0.0242907   135 LEU   B HD22 
1788 H HD23 . LEU   A 123 ? 0.672923 0.593909 0.710143 -0.189397   0.0720693   0.0201645   135 LEU   B HD23 
1789 N N    . ASP   A 124 ? 0.726269 0.456882 0.670564 -0.0970547  0.0925147   0.0302398   136 ASP   B N    
1790 C CA   . ASP   A 124 ? 0.766391 0.444392 0.698727 -0.0797185  0.0994049   0.0326265   136 ASP   B CA   
1791 C C    . ASP   A 124 ? 0.750805 0.441376 0.682569 -0.0540158  0.0980879   0.0223234   136 ASP   B C    
1792 O O    . ASP   A 124 ? 0.681603 0.409367 0.615852 -0.0565337  0.0924484   0.00945933  136 ASP   B O    
1793 C CB   . ASP   A 124 ? 0.87064  0.492643 0.791852 -0.0976217  0.104665    0.0184891   136 ASP   B CB   
1794 C CG   . ASP   A 124 ? 0.983376 0.538134 0.892787 -0.0855909  0.113972    0.0279638   136 ASP   B CG   
1795 O OD1  . ASP   A 124 ? 0.959999 0.51165  0.870741 -0.0596529  0.115265    0.0474418   136 ASP   B OD1  
1796 O OD2  . ASP   A 124 ? 1.11965  0.623517 1.01824  -0.103683   0.118575    0.0166259   136 ASP   B OD2  
1797 H H    . ASP   A 124 ? 0.702342 0.46046  0.649549 -0.0928091  0.0872901   0.0220315   136 ASP   B H    
1798 H HA   . ASP   A 124 ? 0.783213 0.45314  0.714744 -0.0722307  0.101804    0.0501872   136 ASP   B HA   
1799 H HB2  . ASP   A 124 ? 0.874658 0.501883 0.800162 -0.120316   0.103517    0.0188394   136 ASP   B HB2  
1800 H HB3  . ASP   A 124 ? 0.871374 0.493285 0.787676 -0.0971236  0.102917    0.00056411  136 ASP   B HB3  
1801 N N    . PHE   A 125 ? 0.807018 0.466052 0.736671 -0.0295149  0.103804    0.029371    137 PHE   B N    
1802 C CA   . PHE   A 125 ? 0.818123 0.482535 0.750822 -0.00534764 0.107045    0.0180572   137 PHE   B CA   
1803 C C    . PHE   A 125 ? 0.821063 0.429356 0.750495 0.0147344   0.11683     0.018819    137 PHE   B C    
1804 O O    . PHE   A 125 ? 0.895497 0.47005  0.822901 0.0180251   0.117484    0.0374698   137 PHE   B O    
1805 C CB   . PHE   A 125 ? 0.766677 0.483711 0.714348 0.0125275   0.100335    0.0310911   137 PHE   B CB   
1806 C CG   . PHE   A 125 ? 0.756617 0.47548  0.7096   0.0244095   0.0954374   0.0581277   137 PHE   B CG   
1807 C CD1  . PHE   A 125 ? 0.763401 0.501919 0.712213 0.00871359  0.08967     0.0720089   137 PHE   B CD1  
1808 C CD2  . PHE   A 125 ? 0.778437 0.482579 0.7401   0.0522014   0.0962971   0.0694902   137 PHE   B CD2  
1809 C CE1  . PHE   A 125 ? 0.730768 0.470186 0.676669 0.0185449   0.0850145   0.0959577   137 PHE   B CE1  
1810 C CE2  . PHE   A 125 ? 0.807734 0.515606 0.770108 0.0626814   0.0882109   0.0954143   137 PHE   B CE2  
1811 C CZ   . PHE   A 125 ? 0.805045 0.528743 0.755866 0.0448162   0.0826383   0.108252    137 PHE   B CZ   
1812 H H    . PHE   A 125 ? 0.827639 0.462019 0.754943 -0.0274748  0.106151    0.0424487   137 PHE   B H    
1813 H HA   . PHE   A 125 ? 0.800358 0.470594 0.727195 -0.0143179  0.10747     0.00059372  137 PHE   B HA   
1814 H HB2  . PHE   A 125 ? 0.76338  0.485072 0.71605  0.027741    0.103886    0.0240625   137 PHE   B HB2  
1815 H HB3  . PHE   A 125 ? 0.73174  0.480206 0.680022 0.00088787  0.0951578   0.0276325   137 PHE   B HB3  
1816 H HD1  . PHE   A 125 ? 0.732741 0.484809 0.680034 -0.00833373 0.0890603   0.0647233   137 PHE   B HD1  
1817 H HD2  . PHE   A 125 ? 0.799059 0.492178 0.766036 0.0646398   0.102044    0.0596776   137 PHE   B HD2  
1818 H HE1  . PHE   A 125 ? 0.741278 0.492893 0.68151  0.00776584  0.083199    0.104083    137 PHE   B HE1  
1819 H HE2  . PHE   A 125 ? 0.821282 0.520875 0.791224 0.0824121   0.0867098   0.104151    137 PHE   B HE2  
1820 H HZ   . PHE   A 125 ? 0.796867 0.520545 0.743042 0.0511213   0.0774538   0.125495    137 PHE   B HZ   
1821 N N    . LYS   A 126 ? 0.880907 0.476936 0.8075   0.0278426   0.125557    -0.00192246 138 LYS   B N    
1822 C CA   . LYS   A 126 ? 0.935214 0.472761 0.857557 0.0476315   0.137985    -0.00842767 138 LYS   B CA   
1823 C C    . LYS   A 126 ? 0.920802 0.48638  0.858721 0.0774691   0.145733    -0.0165312  138 LYS   B C    
1824 O O    . LYS   A 126 ? 0.860976 0.470706 0.798843 0.0717196   0.145301    -0.0288918  138 LYS   B O    
1825 C CB   . LYS   A 126 ? 0.962058 0.442943 0.858433 0.0256834   0.145133    -0.032787   138 LYS   B CB   
1826 H H    . LYS   A 126 ? 0.84309  0.467629 0.769407 0.0248976   0.124632    -0.0127206  138 LYS   B H    
1827 H HA   . LYS   A 126 ? 0.94854  0.466967 0.875738 0.0564313   0.13643     0.0095486   138 LYS   B HA   
1830 N N    . GLY   A 127 ? 0.977325 0.519765 0.930796 0.109581    0.152673    -0.00746394 139 GLY   B N    
1831 C CA   . GLY   A 127 ? 0.993729 0.570953 0.972134 0.140223    0.160773    -0.011453   139 GLY   B CA   
1832 C C    . GLY   A 127 ? 1.05169  0.604385 1.01565  0.14427     0.180415    -0.0435607  139 GLY   B C    
1833 O O    . GLY   A 127 ? 1.20265  0.688564 1.1474   0.144614    0.190114    -0.0560796  139 GLY   B O    
1834 H H    . GLY   A 127 ? 1.01188  0.516594 0.96192  0.112727    0.152515    0.00213358  139 GLY   B H    
1835 H HA2  . GLY   A 127 ? 0.941103 0.568559 0.92957  0.136221    0.153816    -0.00651073 139 GLY   B HA2  
1836 H HA3  . GLY   A 127 ? 1.00794  0.575299 1.00273  0.162444    0.160483    0.00246241  139 GLY   B HA3  
1837 N N    . GLU   A 128 ? 1.08103  0.682775 1.05031  0.146029    0.187048    -0.0568372  140 GLU   B N    
1838 C CA   . GLU   A 128 ? 1.12582  0.706399 1.07864  0.153012    0.208752    -0.0867449  140 GLU   B CA   
1839 C C    . GLU   A 128 ? 1.25389  0.775764 1.21532  0.183152    0.223029    -0.089222   140 GLU   B C    
1840 O O    . GLU   A 128 ? 1.36791  0.912732 1.36838  0.213043    0.22153     -0.0689109  140 GLU   B O    
1841 C CB   . GLU   A 128 ? 1.0304   0.673694 1.00013  0.163288    0.218481    -0.0924999  140 GLU   B CB   
1842 O OXT  . GLU   A 128 ? 1.34378  0.797082 1.27304  0.173976    0.23126     -0.108221   140 GLU   B OXT  
1843 H H    . GLU   A 128 ? 1.01819  0.665326 0.999295 0.142158    0.178613    -0.0471205  140 GLU   B H    
1844 H HA   . GLU   A 128 ? 1.14004  0.698037 1.06285  0.130376    0.207724    -0.101259   140 GLU   B HA   
1847 N N    . GLY   B 1   ? 0.966936 0.425843 0.55837  0.023513    0.107827    0.165737    13  GLY   A N    
1848 C CA   . GLY   B 1   ? 0.91684  0.402528 0.564137 -0.00264208 0.117384    0.144665    13  GLY   A CA   
1849 C C    . GLY   B 1   ? 0.90193  0.435498 0.542354 -0.00826094 0.111213    0.132192    13  GLY   A C    
1850 O O    . GLY   B 1   ? 0.879476 0.425912 0.474579 0.00594656  0.0991442   0.137086    13  GLY   A O    
1851 H H1   . GLY   B 1   ? 0.996695 0.424453 0.59416  0.0272981   0.111834    0.173488    13  GLY   A H1   
1852 H H2   . GLY   B 1   ? 0.944122 0.428511 0.530178 0.0343419   0.0867076   0.156843    13  GLY   A H2   
1853 H H3   . GLY   B 1   ? 0.997977 0.445782 0.554043 0.0262567   0.11861     0.180051    13  GLY   A H3   
1854 H HA2  . GLY   B 1   ? 0.948759 0.409358 0.607153 -0.0147852  0.140466    0.15367     13  GLY   A HA2  
1855 H HA3  . GLY   B 1   ? 0.896363 0.393166 0.577301 -0.00406521 0.104855    0.129082    13  GLY   A HA3  
1856 N N    . ALA   B 2   ? 0.821715 0.380454 0.511252 -0.0288243  0.118147    0.114597    14  ALA   A N    
1857 C CA   . ALA   B 2   ? 0.775136 0.37423  0.466113 -0.035063   0.114164    0.102456    14  ALA   A CA   
1858 C C    . ALA   B 2   ? 0.737375 0.372187 0.413856 -0.0212435  0.0827867   0.0924237   14  ALA   A C    
1859 O O    . ALA   B 2   ? 0.740657 0.390682 0.38712  -0.016649   0.077542    0.0924511   14  ALA   A O    
1860 C CB   . ALA   B 2   ? 0.742274 0.365031 0.494339 -0.0550645  0.119853    0.084204    14  ALA   A CB   
1861 H H    . ALA   B 2   ? 0.825638 0.375565 0.549736 -0.0384909  0.124417    0.109514    14  ALA   A H    
1862 H HA   . ALA   B 2   ? 0.80621  0.39379  0.467537 -0.0344708  0.128765    0.113003    14  ALA   A HA   
1863 H HB1  . ALA   B 2   ? 0.759762 0.366443 0.522551 -0.065125   0.141667    0.0900856   14  ALA   A HB1  
1864 H HB2  . ALA   B 2   ? 0.723883 0.35035  0.502326 -0.055734   0.10912     0.0752359   14  ALA   A HB2  
1865 H HB3  . ALA   B 2   ? 0.709115 0.359891 0.464648 -0.0565921  0.112298    0.0751569   14  ALA   A HB3  
1866 N N    . PRO   B 3   ? 0.692241 0.342154 0.39027  -0.014186   0.0622983   0.0826964   15  PRO   A N    
1867 C CA   . PRO   B 3   ? 0.672186 0.358778 0.362907 -0.00223663 0.0367933   0.0753657   15  PRO   A CA   
1868 C C    . PRO   B 3   ? 0.734252 0.412157 0.374498 0.0157746   0.0273376   0.0883913   15  PRO   A C    
1869 O O    . PRO   B 3   ? 0.718675 0.424467 0.347018 0.0177369   0.0146016   0.0831188   15  PRO   A O    
1870 C CB   . PRO   B 3   ? 0.675457 0.374014 0.395073 0.00385954  0.023545    0.0647461   15  PRO   A CB   
1871 C CG   . PRO   B 3   ? 0.687189 0.368584 0.443097 -0.0121521  0.0383692   0.0569697   15  PRO   A CG   
1872 C CD   . PRO   B 3   ? 0.754128 0.392282 0.490491 -0.0183581  0.0625765   0.0743738   15  PRO   A CD   
1873 H HA   . PRO   B 3   ? 0.64984  0.360861 0.353468 -0.0107277  0.0350924   0.0672617   15  PRO   A HA   
1874 H HB2  . PRO   B 3   ? 0.697025 0.380287 0.40135  0.0173387   0.0183586   0.0710571   15  PRO   A HB2  
1875 H HB3  . PRO   B 3   ? 0.639068 0.370699 0.371373 0.00419369  0.0119491   0.0559988   15  PRO   A HB3  
1876 H HG2  . PRO   B 3   ? 0.692423 0.367122 0.46099  -0.00701974 0.0328732   0.0510091   15  PRO   A HG2  
1877 H HG3  . PRO   B 3   ? 0.657285 0.361582 0.434506 -0.0223085  0.0380472   0.0476142   15  PRO   A HG3  
1878 H HD2  . PRO   B 3   ? 0.76812  0.377308 0.491292 -0.00982745 0.0646549   0.0836474   15  PRO   A HD2  
1879 H HD3  . PRO   B 3   ? 0.728363 0.362718 0.49074  -0.0324913  0.0750477   0.0699822   15  PRO   A HD3  
1880 N N    . ALA   B 4   ? 0.783478 0.420353 0.393863 0.028548    0.0335526   0.105467    16  ALA   A N    
1881 C CA   . ALA   B 4   ? 0.808463 0.437299 0.367612 0.0495192   0.0209071   0.118403    16  ALA   A CA   
1882 C C    . ALA   B 4   ? 0.866034 0.492141 0.385212 0.0457514   0.030008    0.122652    16  ALA   A C    
1883 O O    . ALA   B 4   ? 0.86745  0.508582 0.352704 0.0592494   0.0110929   0.12153     16  ALA   A O    
1884 C CB   . ALA   B 4   ? 0.894088 0.473233 0.42732  0.0657495   0.0273135   0.139462    16  ALA   A CB   
1885 H H    . ALA   B 4   ? 0.793929 0.407115 0.41627  0.0248546   0.0446267   0.109168    16  ALA   A H    
1886 H HA   . ALA   B 4   ? 0.79854  0.457148 0.36649  0.0571672   0.00095496  0.109866    16  ALA   A HA   
1887 H HB1  . ALA   B 4   ? 0.873622 0.454364 0.432177 0.0697604   0.0203196   0.134028    16  ALA   A HB1  
1888 H HB2  . ALA   B 4   ? 0.911489 0.461151 0.43989  0.0567868   0.0487843   0.14913     16  ALA   A HB2  
1889 H HB3  . ALA   B 4   ? 0.918334 0.49289  0.415205 0.0818394   0.0170251   0.148784    16  ALA   A HB3  
1890 N N    . THR   B 5   ? 0.845843 0.452625 0.368522 0.0289539   0.0589637   0.126327    17  THR   A N    
1891 C CA   . THR   B 5   ? 0.86645  0.470943 0.350797 0.0268392   0.0710898   0.127891    17  THR   A CA   
1892 C C    . THR   B 5   ? 0.823984 0.475304 0.328306 0.0206506   0.0511875   0.104028    17  THR   A C    
1893 O O    . THR   B 5   ? 0.823599 0.481379 0.289177 0.0278826   0.0433648   0.0993038   17  THR   A O    
1894 C CB   . THR   B 5   ? 0.891708 0.472618 0.38655  0.00953745  0.109162    0.135044    17  THR   A CB   
1895 O OG1  . THR   B 5   ? 0.947892 0.481781 0.426896 0.0138687   0.129017    0.159661    17  THR   A OG1  
1896 C CG2  . THR   B 5   ? 0.932892 0.514179 0.385231 0.0100788   0.123822    0.134049    17  THR   A CG2  
1897 H H    . THR   B 5   ? 0.842737 0.438671 0.393416 0.0192746   0.0712621   0.126627    17  THR   A H    
1898 H HA   . THR   B 5   ? 0.916632 0.505031 0.35469  0.0421523   0.0668298   0.139511    17  THR   A HA   
1899 H HB   . THR   B 5   ? 0.848592 0.446309 0.391117 -0.00462204 0.111359    0.122973    17  THR   A HB   
1901 H HG21 . THR   B 5   ? 0.955967 0.516922 0.406061 0.00322707  0.151209    0.144244    17  THR   A HG21 
1902 H HG22 . THR   B 5   ? 0.966322 0.540487 0.370829 0.0257625   0.113303    0.140244    17  THR   A HG22 
1903 H HG23 . THR   B 5   ? 0.891228 0.500166 0.366845 0.00239461  0.116444    0.116525    17  THR   A HG23 
1904 N N    . VAL   B 6   ? 0.739337 0.420511 0.302354 0.00726781  0.0441989   0.0889781   18  VAL   A N    
1905 C CA   . VAL   B 6   ? 0.67698  0.397782 0.262208 0.00076799  0.027431    0.0704032   18  VAL   A CA   
1906 C C    . VAL   B 6   ? 0.686208 0.429296 0.257579 0.0156008   -0.00314215 0.0667811   18  VAL   A C    
1907 O O    . VAL   B 6   ? 0.717129 0.476204 0.276122 0.0161459   -0.0157027  0.0560234   18  VAL   A O    
1908 C CB   . VAL   B 6   ? 0.596133 0.34375  0.24206  -0.0146158  0.0268408   0.0586396   18  VAL   A CB   
1909 C CG1  . VAL   B 6   ? 0.558558 0.338439 0.223859 -0.0217041  0.0140653   0.0440954   18  VAL   A CG1  
1910 C CG2  . VAL   B 6   ? 0.57935  0.310911 0.24923  -0.0285037  0.0524674   0.0596265   18  VAL   A CG2  
1911 H H    . VAL   B 6   ? 0.726054 0.401803 0.31479  0.00253824  0.0497026   0.0904545   18  VAL   A H    
1912 H HA   . VAL   B 6   ? 0.693444 0.409934 0.26217  -0.00250263 0.0359553   0.0672112   18  VAL   A HA   
1913 H HB   . VAL   B 6   ? 0.582529 0.337866 0.242062 -0.00988283 0.0169621   0.0596753   18  VAL   A HB   
1914 H HG11 . VAL   B 6   ? 0.579862 0.351605 0.225901 -0.022936   0.0204051   0.041172    18  VAL   A HG11 
1915 H HG12 . VAL   B 6   ? 0.554286 0.350229 0.218755 -0.0154167  -0.00325957 0.0422502   18  VAL   A HG12 
1916 H HG13 . VAL   B 6   ? 0.52862  0.320946 0.227594 -0.03081    0.0169083   0.039362    18  VAL   A HG13 
1917 H HG21 . VAL   B 6   ? 0.547926 0.299085 0.252452 -0.0366458  0.0492535   0.0508774   18  VAL   A HG21 
1918 H HG22 . VAL   B 6   ? 0.599119 0.312318 0.268591 -0.0263162  0.0587082   0.067297    18  VAL   A HG22 
1919 H HG23 . VAL   B 6   ? 0.605099 0.325566 0.257735 -0.0309922  0.0658969   0.0609467   18  VAL   A HG23 
1920 N N    . THR   B 7   ? 0.748906 0.491068 0.321587 0.0290455   -0.0150522  0.0747017   19  THR   A N    
1921 C CA   . THR   B 7   ? 0.766641 0.531054 0.327997 0.0459333   -0.0435503  0.0724725   19  THR   A CA   
1922 C C    . THR   B 7   ? 0.82832  0.577107 0.330152 0.0587388   -0.0508623  0.0757579   19  THR   A C    
1923 O O    . THR   B 7   ? 0.817684 0.594266 0.318532 0.060973    -0.0730138  0.0619371   19  THR   A O    
1924 C CB   . THR   B 7   ? 0.777819 0.534037 0.342446 0.0627853   -0.0503914  0.0828863   19  THR   A CB   
1925 O OG1  . THR   B 7   ? 0.690232 0.465444 0.305462 0.0523689   -0.0458192  0.0752345   19  THR   A OG1  
1926 C CG2  . THR   B 7   ? 0.796201 0.579574 0.356095 0.0826032   -0.0801104  0.0806265   19  THR   A CG2  
1927 H H    . THR   B 7   ? 0.733745 0.462155 0.317629 0.0281337   -0.00589416 0.0803257   19  THR   A H    
1928 H HA   . THR   B 7   ? 0.730503 0.5262   0.321766 0.0391617   -0.0541419  0.0612292   19  THR   A HA   
1929 H HB   . THR   B 7   ? 0.807344 0.52872  0.346255 0.0683106   -0.0383727  0.0954761   19  THR   A HB   
1931 H HG21 . THR   B 7   ? 0.787873 0.574256 0.363646 0.0913581   -0.0836327  0.083484    19  THR   A HG21 
1932 H HG22 . THR   B 7   ? 0.765599 0.581188 0.34811  0.0753598   -0.0906056  0.0688428   19  THR   A HG22 
1933 H HG23 . THR   B 7   ? 0.837168 0.603308 0.356978 0.0944759   -0.0853252  0.0877389   19  THR   A HG23 
1934 N N    . GLU   B 8   ? 0.886222 0.590291 0.339787 0.0654911   -0.0304114  0.0931267   20  GLU   A N    
1935 C CA   . GLU   B 8   ? 0.961227 0.645028 0.344058 0.0825666   -0.0349475  0.100312    20  GLU   A CA   
1936 C C    . GLU   B 8   ? 0.964963 0.654951 0.328862 0.0722565   -0.0278249  0.084324    20  GLU   A C    
1937 O O    . GLU   B 8   ? 1.06171  0.752106 0.374281 0.0865622   -0.0436074  0.0782835   20  GLU   A O    
1938 C CB   . GLU   B 8   ? 1.054    0.684847 0.391955 0.0936445   -0.0107412  0.129229    20  GLU   A CB   
1939 H H    . GLU   B 8   ? 0.883717 0.569161 0.348172 0.0595254   -0.0126645  0.101063    20  GLU   A H    
1940 H HA   . GLU   B 8   ? 0.974132 0.674139 0.349512 0.0961199   -0.0598789  0.0970452   20  GLU   A HA   
1943 N N    . GLN   B 9   ? 0.879133 0.567656 0.275017 0.0507605   -0.00181789 0.0782477   21  GLN   A N    
1944 C CA   . GLN   B 9   ? 0.941531 0.626285 0.312762 0.0448702   0.0119262   0.0660171   21  GLN   A CA   
1945 C C    . GLN   B 9   ? 0.832894 0.548863 0.263679 0.0248764   0.00815491  0.0423813   21  GLN   A C    
1946 O O    . GLN   B 9   ? 0.882793 0.599021 0.301604 0.0206993   0.0153225   0.0272554   21  GLN   A O    
1947 C CB   . GLN   B 9   ? 0.987412 0.634989 0.328494 0.0420244   0.0534502   0.0829727   21  GLN   A CB   
1948 H H    . GLN   B 9   ? 0.866206 0.556022 0.299248 0.0410395   0.0072311   0.0810348   21  GLN   A H    
1949 H HA   . GLN   B 9   ? 0.962017 0.647994 0.29321  0.0576695   -0.00376161 0.0608743   21  GLN   A HA   
1952 N N    . GLY   B 10  ? 0.758333 0.49792  0.25164  0.0136661   -0.00052811 0.0399997   22  GLY   A N    
1953 C CA   . GLY   B 10  ? 0.720955 0.485105 0.269305 -0.00411998 -0.0010406  0.02372     22  GLY   A CA   
1954 C C    . GLY   B 10  ? 0.718462 0.505523 0.271302 -0.00449592 -0.0265747  0.00300898  22  GLY   A C    
1955 O O    . GLY   B 10  ? 0.724682 0.524764 0.263933 0.00648275  -0.0525423  0.00070313  22  GLY   A O    
1956 H H    . GLY   B 10  ? 0.758558 0.498268 0.258706 0.0185061   -0.00617577 0.0491751   22  GLY   A H    
1957 H HA2  . GLY   B 10  ? 0.719599 0.47246  0.269389 -0.0107929  0.019092    0.0228159   22  GLY   A HA2  
1958 H HA3  . GLY   B 10  ? 0.679538 0.45632  0.264275 -0.00939364 -0.00404177 0.027084    22  GLY   A HA3  
1959 N N    . GLU   B 11  ? 0.640262 0.432761 0.221179 -0.0176041  -0.0191703  -0.0116169  23  GLU   A N    
1960 C CA   . GLU   B 11  ? 0.67016  0.480399 0.270739 -0.0230516  -0.0399595  -0.0334257  23  GLU   A CA   
1961 C C    . GLU   B 11  ? 0.591838 0.43266  0.256664 -0.0343541  -0.054065   -0.0309495  23  GLU   A C    
1962 O O    . GLU   B 11  ? 0.540813 0.386197 0.239759 -0.0421927  -0.0407797  -0.0200125  23  GLU   A O    
1963 C CB   . GLU   B 11  ? 0.717258 0.512021 0.310021 -0.0276084  -0.0236679  -0.0496265  23  GLU   A CB   
1964 H H    . GLU   B 11  ? 0.652529 0.43643  0.244238 -0.0235825  -7.359e-05  -0.00807202 23  GLU   A H    
1965 H HA   . GLU   B 11  ? 0.694089 0.505504 0.265211 -0.0134163  -0.056335   -0.0388451  23  GLU   A HA   
1968 N N    . ASP   B 12  ? 0.595888 0.458852 0.275177 -0.0340949  -0.0812517  -0.0415528  24  ASP   A N    
1969 C CA   . ASP   B 12  ? 0.511067 0.404855 0.252237 -0.0457965  -0.0923486  -0.0397216  24  ASP   A CA   
1970 C C    . ASP   B 12  ? 0.508946 0.402397 0.291225 -0.0619038  -0.0882238  -0.050469   24  ASP   A C    
1971 O O    . ASP   B 12  ? 0.56053  0.450987 0.344271 -0.0653884  -0.101802   -0.0710964  24  ASP   A O    
1972 C CB   . ASP   B 12  ? 0.54287  0.46322  0.292544 -0.0406152  -0.121632   -0.0472509  24  ASP   A CB   
1973 C CG   . ASP   B 12  ? 0.489543 0.446804 0.305864 -0.0520685  -0.129647   -0.0417727  24  ASP   A CG   
1974 O OD1  . ASP   B 12  ? 0.462144 0.421444 0.312834 -0.0637705  -0.113367   -0.0319809  24  ASP   A OD1  
1975 O OD2  . ASP   B 12  ? 0.507868 0.493385 0.342525 -0.0488177  -0.152686   -0.0479953  24  ASP   A OD2  
1976 H H    . ASP   B 12  ? 0.618971 0.478534 0.268805 -0.0261519  -0.0930155  -0.0501234  24  ASP   A H    
1977 H HA   . ASP   B 12  ? 0.501162 0.399707 0.254235 -0.0456991  -0.0833762  -0.0258201  24  ASP   A HA   
1978 H HB2  . ASP   B 12  ? 0.550851 0.468873 0.271604 -0.027847   -0.124812   -0.040055   24  ASP   A HB2  
1979 H HB3  . ASP   B 12  ? 0.561488 0.478182 0.301207 -0.0410129  -0.133256   -0.063616   24  ASP   A HB3  
1980 N N    . ILE   B 13  ? 0.485545 0.380723 0.300399 -0.0700846  -0.071563   -0.0375927  25  ILE   A N    
1981 C CA   . ILE   B 13  ? 0.502853 0.392005 0.353619 -0.082184   -0.0657538  -0.0443279  25  ILE   A CA   
1982 C C    . ILE   B 13  ? 0.511237 0.425253 0.418351 -0.0938387  -0.0744759  -0.0358656  25  ILE   A C    
1983 O O    . ILE   B 13  ? 0.547666 0.455194 0.488322 -0.103108   -0.0684612  -0.0350071  25  ILE   A O    
1984 C CB   . ILE   B 13  ? 0.473404 0.346594 0.323642 -0.0819689  -0.0420542  -0.036811   25  ILE   A CB   
1985 C CG1  . ILE   B 13  ? 0.451    0.337587 0.315017 -0.0809856  -0.03478    -0.0172239  25  ILE   A CG1  
1986 C CG2  . ILE   B 13  ? 0.518353 0.3664   0.320094 -0.0732184  -0.0282541  -0.0459154  25  ILE   A CG2  
1987 C CD1  . ILE   B 13  ? 0.453274 0.331239 0.330948 -0.0823439  -0.0169009  -0.0121312  25  ILE   A CD1  
1988 H H    . ILE   B 13  ? 0.471906 0.371477 0.286584 -0.0670666  -0.0649812  -0.0250757  25  ILE   A H    
1989 H HA   . ILE   B 13  ? 0.525526 0.404325 0.365871 -0.0823802  -0.0716174  -0.0602147  25  ILE   A HA   
1990 H HB   . ILE   B 13  ? 0.475576 0.345889 0.351986 -0.0883447  -0.0406257  -0.040887   25  ILE   A HB   
1991 H HG12 . ILE   B 13  ? 0.458567 0.344855 0.298203 -0.0741924  -0.0351336  -0.0133181  25  ILE   A HG12 
1992 H HG13 . ILE   B 13  ? 0.435286 0.338726 0.325282 -0.0852229  -0.0423     -0.0112314  25  ILE   A HG13 
1993 H HG21 . ILE   B 13  ? 0.508722 0.349491 0.319641 -0.0747607  -0.0135284  -0.0439051  25  ILE   A HG21 
1994 H HG22 . ILE   B 13  ? 0.524054 0.370912 0.298948 -0.0664786  -0.0273737  -0.0389842  25  ILE   A HG22 
1995 H HG23 . ILE   B 13  ? 0.541589 0.382193 0.330616 -0.0721992  -0.0346322  -0.0606229  25  ILE   A HG23 
1996 H HD11 . ILE   B 13  ? 0.446259 0.321427 0.345224 -0.0869338  -0.0163025  -0.0164501  25  ILE   A HD11 
1997 H HD12 . ILE   B 13  ? 0.428129 0.317595 0.317207 -0.0817585  -0.0165129  -0.00163207 25  ILE   A HD12 
1998 H HD13 . ILE   B 13  ? 0.463102 0.327354 0.318104 -0.0785447  -0.00676637 -0.0154922  25  ILE   A HD13 
1999 N N    . THR   B 14  ? 0.48772  0.429061 0.406722 -0.0926535  -0.0874086  -0.02948    26  THR   A N    
2000 C CA   . THR   B 14  ? 0.43742  0.405332 0.411761 -0.104617   -0.0936105  -0.0216831  26  THR   A CA   
2001 C C    . THR   B 14  ? 0.473941 0.440267 0.477051 -0.116399   -0.110446   -0.041806   26  THR   A C    
2002 O O    . THR   B 14  ? 0.483004 0.440907 0.459077 -0.111407   -0.126369   -0.0642328  26  THR   A O    
2003 C CB   . THR   B 14  ? 0.417912 0.420332 0.402694 -0.0988801  -0.0982926  -0.00864838 26  THR   A CB   
2004 O OG1  . THR   B 14  ? 0.425407 0.436506 0.392498 -0.0911957  -0.118403   -0.0232524  26  THR   A OG1  
2005 C CG2  . THR   B 14  ? 0.401059 0.401068 0.359958 -0.087418   -0.0827054  0.00727742  26  THR   A CG2  
2006 H H    . THR   B 14  ? 0.49057  0.434351 0.383699 -0.0836497  -0.0912802  -0.0290689  26  THR   A H    
2007 H HA   . THR   B 14  ? 0.43242  0.396602 0.423272 -0.10906    -0.0822384  -0.0113184  26  THR   A HA   
2008 H HB   . THR   B 14  ? 0.404835 0.42519  0.428595 -0.107799   -0.0979213  -0.00147763 26  THR   A HB   
2010 H HG21 . THR   B 14  ? 0.391967 0.413424 0.358624 -0.0827186  -0.0847873  0.0143269   26  THR   A HG21 
2011 H HG22 . THR   B 14  ? 0.413689 0.395594 0.337931 -0.0798128  -0.0814086  0.00208662  26  THR   A HG22 
2012 H HG23 . THR   B 14  ? 0.388668 0.383715 0.35902  -0.0918831  -0.0721676  0.014985    26  THR   A HG23 
2013 N N    . SER   B 15  ? 0.502409 0.476087 0.561113 -0.131847   -0.107726   -0.0338634  27  SER   A N    
2014 C CA   . SER   B 15  ? 0.53223  0.506771 0.633524 -0.146555   -0.124496   -0.0521836  27  SER   A CA   
2015 C C    . SER   B 15  ? 0.521956 0.532861 0.643291 -0.147721   -0.144557   -0.058982   27  SER   A C    
2016 O O    . SER   B 15  ? 0.556724 0.567726 0.686219 -0.151716   -0.167673   -0.0861257  27  SER   A O    
2017 C CB   . SER   B 15  ? 0.548477 0.5175   0.708078 -0.163525   -0.114036   -0.0377324  27  SER   A CB   
2018 O OG   . SER   B 15  ? 0.641232 0.57921  0.781848 -0.158491   -0.0975441  -0.0310344  27  SER   A OG   
2019 H H    . SER   B 15  ? 0.475446 0.452671 0.546273 -0.133262   -0.0955189  -0.0167673  27  SER   A H    
2020 H HA   . SER   B 15  ? 0.5549   0.507991 0.633675 -0.143764   -0.130558   -0.0716995  27  SER   A HA   
2021 H HB2  . SER   B 15  ? 0.545343 0.536782 0.726719 -0.166413   -0.107354   -0.0183227  27  SER   A HB2  
2022 H HB3  . SER   B 15  ? 0.582093 0.546291 0.770892 -0.174035   -0.125259   -0.0524502  27  SER   A HB3  
2024 N N    . LYS   B 16  ? 0.449898 0.493281 0.579871 -0.142589   -0.137614   -0.0374264  28  LYS   A N    
2025 C CA   . LYS   B 16  ? 0.512055 0.595652 0.66669  -0.141034   -0.155889   -0.0431059  28  LYS   A CA   
2026 C C    . LYS   B 16  ? 0.513797 0.596716 0.613278 -0.121155   -0.175316   -0.0599339  28  LYS   A C    
2027 O O    . LYS   B 16  ? 0.492382 0.607384 0.612578 -0.118004   -0.196479   -0.069628   28  LYS   A O    
2028 C CB   . LYS   B 16  ? 0.518333 0.639231 0.695828 -0.137163   -0.141366   -0.0167069  28  LYS   A CB   
2029 C CG   . LYS   B 16  ? 0.584914 0.720331 0.819598 -0.154017   -0.121134   0.00682849  28  LYS   A CG   
2030 C CD   . LYS   B 16  ? 0.666438 0.842729 0.910065 -0.143933   -0.107984   0.0280189   28  LYS   A CD   
2031 C CE   . LYS   B 16  ? 0.64582  0.827242 0.900068 -0.1466     -0.0796561  0.0581914   28  LYS   A CE   
2032 N NZ   . LYS   B 16  ? 0.704917 0.900327 1.02799  -0.169201   -0.0715356  0.0702718   28  LYS   A NZ   
2033 H H    . LYS   B 16  ? 0.455878 0.49782  0.577685 -0.139073   -0.121931   -0.0201614  28  LYS   A H    
2034 H HA   . LYS   B 16  ? 0.5123   0.603547 0.709227 -0.154494   -0.166598   -0.053723   28  LYS   A HA   
2035 H HB2  . LYS   B 16  ? 0.518276 0.629168 0.655932 -0.124509   -0.131646   -0.00818207 28  LYS   A HB2  
2036 H HB3  . LYS   B 16  ? 0.529578 0.677279 0.721146 -0.133423   -0.154557   -0.0228933  28  LYS   A HB3  
2037 H HG2  . LYS   B 16  ? 0.594513 0.738362 0.87427  -0.168517   -0.129126   -0.0003132  28  LYS   A HG2  
2038 H HG3  . LYS   B 16  ? 0.58213  0.692535 0.801763 -0.155276   -0.108654   0.0150981   28  LYS   A HG3  
2039 H HD2  . LYS   B 16  ? 0.632872 0.805713 0.835354 -0.128022   -0.111187   0.0245211   28  LYS   A HD2  
2040 H HD3  . LYS   B 16  ? 0.641355 0.847654 0.92432  -0.149115   -0.116533   0.0237473   28  LYS   A HD3  
2041 H HE2  . LYS   B 16  ? 0.65832  0.810965 0.881745 -0.143464   -0.0733278  0.0613068   28  LYS   A HE2  
2042 H HE3  . LYS   B 16  ? 0.649263 0.85327  0.895616 -0.135624   -0.0725942  0.0669912   28  LYS   A HE3  
2043 H HZ1  . LYS   B 16  ? 0.698578 0.870822 1.03057  -0.179122   -0.0786238  0.0608673   28  LYS   A HZ1  
2044 H HZ2  . LYS   B 16  ? 0.68789  0.912943 1.04491  -0.173117   -0.0766968  0.067161    28  LYS   A HZ2  
2045 H HZ3  . LYS   B 16  ? 0.684219 0.881685 1.00868  -0.169195   -0.0538812  0.0904971   28  LYS   A HZ3  
2046 N N    . LYS   B 17  ? 0.524752 0.572468 0.556776 -0.107268   -0.1678     -0.0619917  29  LYS   A N    
2047 C CA   . LYS   B 17  ? 0.562192 0.603685 0.53435  -0.0865277  -0.181839   -0.0714223  29  LYS   A CA   
2048 C C    . LYS   B 17  ? 0.5311   0.604513 0.506981 -0.0729209  -0.184593   -0.0558234  29  LYS   A C    
2049 O O    . LYS   B 17  ? 0.492202 0.583843 0.458166 -0.0600864  -0.20791    -0.0653811  29  LYS   A O    
2050 C CB   . LYS   B 17  ? 0.633115 0.66838  0.594952 -0.08704    -0.209601   -0.103104   29  LYS   A CB   
2051 C CG   . LYS   B 17  ? 0.660917 0.658428 0.61121  -0.0964234  -0.202088   -0.119525   29  LYS   A CG   
2052 C CD   . LYS   B 17  ? 0.735854 0.695929 0.624831 -0.0854629  -0.176585   -0.110269   29  LYS   A CD   
2053 C CE   . LYS   B 17  ? 0.875822 0.809697 0.692098 -0.0691958  -0.183343   -0.129209   29  LYS   A CE   
2054 N NZ   . LYS   B 17  ? 0.844195 0.755164 0.657562 -0.0752762  -0.187515   -0.157431   29  LYS   A NZ   
2055 H H    . LYS   B 17  ? 0.519622 0.546841 0.543578 -0.110403   -0.152774   -0.0560533  29  LYS   A H    
2056 H HA   . LYS   B 17  ? 0.566768 0.58195  0.498564 -0.0799688  -0.168284   -0.0667668  29  LYS   A HA   
2057 H HB2  . LYS   B 17  ? 0.625989 0.68731  0.633903 -0.0956353  -0.224587   -0.110445   29  LYS   A HB2  
2058 H HB3  . LYS   B 17  ? 0.65289  0.683636 0.569658 -0.0712111  -0.219204   -0.107406   29  LYS   A HB3  
2059 H HG2  . LYS   B 17  ? 0.654061 0.654907 0.651435 -0.111629   -0.195087   -0.115325   29  LYS   A HG2  
2060 H HG3  . LYS   B 17  ? 0.707289 0.702313 0.648056 -0.0948273  -0.221647   -0.142209   29  LYS   A HG3  
2061 H HD2  . LYS   B 17  ? 0.713789 0.679294 0.592675 -0.0790821  -0.16555    -0.0912904  29  LYS   A HD2  
2062 H HD3  . LYS   B 17  ? 0.722368 0.66962  0.631898 -0.0954282  -0.163558   -0.108731   29  LYS   A HD3  
2063 H HE2  . LYS   B 17  ? 0.858745 0.806197 0.660102 -0.0602555  -0.202685   -0.135385   29  LYS   A HE2  
2064 H HE3  . LYS   B 17  ? 0.83779  0.75602  0.61877  -0.0609188  -0.165438   -0.116246   29  LYS   A HE3  
2065 H HZ1  . LYS   B 17  ? 0.866084 0.789467 0.715657 -0.0842837  -0.204476   -0.170624   29  LYS   A HZ1  
2066 H HZ2  . LYS   B 17  ? 0.847735 0.744928 0.672616 -0.0813704  -0.169514   -0.151687   29  LYS   A HZ2  
2067 H HZ3  . LYS   B 17  ? 0.899538 0.797328 0.664004 -0.0633099  -0.191155   -0.168201   29  LYS   A HZ3  
2068 N N    . ASP   B 18  ? 0.469697 0.548632 0.456698 -0.0730664  -0.161339   -0.0328577  30  ASP   A N    
2069 C CA   . ASP   B 18  ? 0.469028 0.575368 0.460457 -0.0590202  -0.159787   -0.0191519  30  ASP   A CA   
2070 C C    . ASP   B 18  ? 0.440611 0.517585 0.37388  -0.0415216  -0.146308   -0.00834384 30  ASP   A C    
2071 O O    . ASP   B 18  ? 0.424663 0.517474 0.360688 -0.029418   -0.140484   0.00343686  30  ASP   A O    
2072 C CB   . ASP   B 18  ? 0.431731 0.571778 0.481372 -0.0701199  -0.144635   -0.00334252 30  ASP   A CB   
2073 C CG   . ASP   B 18  ? 0.419814 0.539129 0.467704 -0.0796248  -0.119296   0.0112548   30  ASP   A CG   
2074 O OD1  . ASP   B 18  ? 0.390952 0.472921 0.393453 -0.0748614  -0.111482   0.0102581   30  ASP   A OD1  
2075 O OD2  . ASP   B 18  ? 0.417963 0.558899 0.510155 -0.0911446  -0.107655   0.0239423   30  ASP   A OD2  
2076 H H    . ASP   B 18  ? 0.467015 0.53174  0.457814 -0.0808904  -0.146587   -0.0267486  30  ASP   A H    
2077 H HA   . ASP   B 18  ? 0.473913 0.598275 0.470854 -0.0523952  -0.178333   -0.0277612  30  ASP   A HA   
2078 H HB2  . ASP   B 18  ? 0.427476 0.586632 0.478545 -0.0588435  -0.14315    0.0036563   30  ASP   A HB2  
2079 H HB3  . ASP   B 18  ? 0.435191 0.594948 0.526243 -0.0816803  -0.153228   -0.0093597  30  ASP   A HB3  
2080 N N    . ARG   B 19  ? 0.481519 0.516739 0.366828 -0.040393   -0.140209   -0.0132406  31  ARG   A N    
2081 C CA   . ARG   B 19  ? 0.473235 0.47651  0.308103 -0.0271326  -0.125533   -0.00316054 31  ARG   A CA   
2082 C C    . ARG   B 19  ? 0.450115 0.457162 0.304033 -0.0301003  -0.104969   0.0114771   31  ARG   A C    
2083 O O    . ARG   B 19  ? 0.459869 0.447152 0.285458 -0.0193742  -0.0946947  0.0192384   31  ARG   A O    
2084 C CB   . ARG   B 19  ? 0.49135  0.491951 0.289334 -0.00443635 -0.138916   -0.00047676 31  ARG   A CB   
2085 C CG   . ARG   B 19  ? 0.561485 0.554977 0.327431 0.00222606  -0.160782   -0.0152484  31  ARG   A CG   
2086 C CD   . ARG   B 19  ? 0.599716 0.583188 0.316353 0.0281782   -0.175893   -0.0106367  31  ARG   A CD   
2087 N NE   . ARG   B 19  ? 0.613154 0.561502 0.292081 0.0390794   -0.15467    0.00799329  31  ARG   A NE   
2088 C CZ   . ARG   B 19  ? 0.656419 0.561649 0.285187 0.0416998   -0.136921   0.0152158   31  ARG   A CZ   
2089 N NH1  . ARG   B 19  ? 0.713226 0.60109  0.314723 0.0346816   -0.133034   0.00500407  31  ARG   A NH1  
2090 N NH2  . ARG   B 19  ? 0.700438 0.578092 0.308887 0.0509861   -0.120102   0.0326477   31  ARG   A NH2  
2091 H H    . ARG   B 19  ? 0.482864 0.509135 0.369182 -0.0484527  -0.144366   -0.0235896  31  ARG   A H    
2092 H HA   . ARG   B 19  ? 0.490514 0.468419 0.301086 -0.0302525  -0.119571   -0.00785346 31  ARG   A HA   
2093 H HB2  . ARG   B 19  ? 0.490049 0.517478 0.313846 0.00027363  -0.145556   0.00255736  31  ARG   A HB2  
2094 H HB3  . ARG   B 19  ? 0.508345 0.484828 0.277705 0.00235262  -0.126792   0.00781955  31  ARG   A HB3  
2095 H HG2  . ARG   B 19  ? 0.565846 0.535448 0.309419 -0.00331427 -0.152402   -0.0197571  31  ARG   A HG2  
2096 H HG3  . ARG   B 19  ? 0.546777 0.565904 0.346616 -0.00494497 -0.174951   -0.0253261  31  ARG   A HG3  
2097 H HD2  . ARG   B 19  ? 0.636046 0.608393 0.321719 0.0322004   -0.186551   -0.0199387  31  ARG   A HD2  
2098 H HD3  . ARG   B 19  ? 0.595513 0.607734 0.338017 0.0344526   -0.190428   -0.0114303  31  ARG   A HD3  
2099 H HE   . ARG   B 19  ? 0.601445 0.559385 0.296684 0.0441732   -0.152816   0.0151386   31  ARG   A HE   
2100 H HH11 . ARG   B 19  ? 0.681842 0.580007 0.308373 0.0215322   -0.132234   -0.00481541 31  ARG   A HH11 
2101 H HH12 . ARG   B 19  ? 0.740513 0.605668 0.297924 0.0438999   -0.130476   0.00818945  31  ARG   A HH12 
2102 H HH21 . ARG   B 19  ? 0.67981  0.566812 0.302499 0.0584577   -0.123935   0.0379299   31  ARG   A HH21 
2103 H HH22 . ARG   B 19  ? 0.705737 0.555609 0.28856  0.0494269   -0.104711   0.0382362   31  ARG   A HH22 
2104 N N    . GLY   B 20  ? 0.382935 0.408727 0.280438 -0.0450982  -0.0982551  0.0145323   32  GLY   A N    
2105 C CA   . GLY   B 20  ? 0.36234  0.395301 0.273706 -0.0457626  -0.0816015  0.0274092   32  GLY   A CA   
2106 C C    . GLY   B 20  ? 0.355754 0.355896 0.243646 -0.0476134  -0.0664318  0.0291352   32  GLY   A C    
2107 O O    . GLY   B 20  ? 0.371734 0.37215  0.257698 -0.0426417  -0.056592   0.0359115   32  GLY   A O    
2108 H H    . GLY   B 20  ? 0.394157 0.426736 0.311529 -0.0545675  -0.104377   0.00848516  32  GLY   A H    
2109 H HA2  . GLY   B 20  ? 0.359945 0.404261 0.267911 -0.0350168  -0.0824368  0.0312709   32  GLY   A HA2  
2110 H HA3  . GLY   B 20  ? 0.346825 0.397887 0.289795 -0.0548961  -0.0797143  0.0311178   32  GLY   A HA3  
2111 N N    . VAL   B 21  ? 0.379069 0.353642 0.252788 -0.0545426  -0.0649563  0.0207713   33  VAL   A N    
2112 C CA   . VAL   B 21  ? 0.389661 0.336916 0.249036 -0.0572733  -0.0500808  0.0204659   33  VAL   A CA   
2113 C C    . VAL   B 21  ? 0.403189 0.322207 0.223866 -0.0536906  -0.0494638  0.011355    33  VAL   A C    
2114 O O    . VAL   B 21  ? 0.410315 0.326742 0.229573 -0.0582591  -0.0575579  3.254e-05   33  VAL   A O    
2115 C CB   . VAL   B 21  ? 0.385182 0.332915 0.274611 -0.069329   -0.0430325  0.0212315   33  VAL   A CB   
2116 C CG1  . VAL   B 21  ? 0.41917  0.343933 0.299505 -0.0700141  -0.0286008  0.0193966   33  VAL   A CG1  
2117 C CG2  . VAL   B 21  ? 0.383885 0.360275 0.30674  -0.0721169  -0.0438643  0.0332801   33  VAL   A CG2  
2118 H H    . VAL   B 21  ? 0.390645 0.366536 0.26563  -0.0573454  -0.0738655  0.0135785   33  VAL   A H    
2119 H HA   . VAL   B 21  ? 0.381006 0.326119 0.233675 -0.0516542  -0.0445765  0.0255528   33  VAL   A HA   
2120 H HB   . VAL   B 21  ? 0.401427 0.345533 0.296156 -0.07477    -0.0478569  0.0141551   33  VAL   A HB   
2121 H HG11 . VAL   B 21  ? 0.406574 0.329812 0.277754 -0.0647111  -0.0248622  0.0229667   33  VAL   A HG11 
2122 H HG12 . VAL   B 21  ? 0.426246 0.334398 0.290151 -0.0703539  -0.0256487  0.0121414   33  VAL   A HG12 
2123 H HG13 . VAL   B 21  ? 0.397132 0.325972 0.298871 -0.0748918  -0.026083   0.0215989   33  VAL   A HG13 
2124 H HG21 . VAL   B 21  ? 0.371128 0.344378 0.309297 -0.0778235  -0.0395707  0.0358476   33  VAL   A HG21 
2125 H HG22 . VAL   B 21  ? 0.377863 0.369441 0.313935 -0.0744013  -0.0511956  0.0335946   33  VAL   A HG22 
2126 H HG23 . VAL   B 21  ? 0.370942 0.353662 0.286866 -0.0651766  -0.0410242  0.0381342   33  VAL   A HG23 
2127 N N    . LEU   B 22  ? 0.432803 0.33082  0.221256 -0.0445567  -0.0406277  0.0161391   34  LEU   A N    
2128 C CA   . LEU   B 22  ? 0.468705 0.337382 0.21314  -0.0391721  -0.034423   0.0127757   34  LEU   A CA   
2129 C C    . LEU   B 22  ? 0.484564 0.330257 0.226639 -0.045031   -0.0109619  0.0140998   34  LEU   A C    
2130 O O    . LEU   B 22  ? 0.457467 0.303496 0.218826 -0.0472508  -0.00237801 0.020372    34  LEU   A O    
2131 C CB   . LEU   B 22  ? 0.50927  0.369336 0.220905 -0.0235256  -0.0403848  0.0215141   34  LEU   A CB   
2132 C CG   . LEU   B 22  ? 0.511691 0.397872 0.227125 -0.0145655  -0.0651106  0.0190117   34  LEU   A CG   
2133 C CD1  . LEU   B 22  ? 0.562174 0.434976 0.249446 0.0029499   -0.066931   0.0303304   34  LEU   A CD1  
2134 C CD2  . LEU   B 22  ? 0.585541 0.475944 0.286346 -0.0150249  -0.0812474  0.00476986  34  LEU   A CD2  
2135 H H    . LEU   B 22  ? 0.418834 0.319819 0.212238 -0.0412647  -0.0374685  0.0221571   34  LEU   A H    
2136 H HA   . LEU   B 22  ? 0.486764 0.357285 0.225793 -0.0407572  -0.0420914  0.00398519  34  LEU   A HA   
2137 H HB2  . LEU   B 22  ? 0.494296 0.351945 0.215057 -0.0223491  -0.0336365  0.0282193   34  LEU   A HB2  
2138 H HB3  . LEU   B 22  ? 0.538153 0.375895 0.216058 -0.0189186  -0.0337468  0.0226991   34  LEU   A HB3  
2139 H HG   . LEU   B 22  ? 0.49429  0.403904 0.244513 -0.0197403  -0.0687477  0.0190371   34  LEU   A HG   
2140 H HD11 . LEU   B 22  ? 0.53573  0.409179 0.239055 0.00229098  -0.059378   0.0354361   34  LEU   A HD11 
2141 H HD12 . LEU   B 22  ? 0.559766 0.449337 0.24818  0.0111693   -0.0832675  0.0287356   34  LEU   A HD12 
2142 H HD13 . LEU   B 22  ? 0.585439 0.431776 0.237998 0.00757737  -0.0593764  0.0340568   34  LEU   A HD13 
2143 H HD21 . LEU   B 22  ? 0.551637 0.451126 0.278724 -0.0266147  -0.080774   -0.00247457 34  LEU   A HD21 
2144 H HD22 . LEU   B 22  ? 0.602213 0.469463 0.265839 -0.0101547  -0.0752655  0.00408454  34  LEU   A HD22 
2145 H HD23 . LEU   B 22  ? 0.576209 0.483354 0.279432 -0.00793244 -0.0981201  0.00307931  34  LEU   A HD23 
2146 N N    . LYS   B 23  ? 0.47988  0.308519 0.200391 -0.0465551  -0.00172576 0.00620512  35  LYS   A N    
2147 C CA   . LYS   B 23  ? 0.497693 0.309514 0.222365 -0.0524449  0.0227621   0.0052465   35  LYS   A CA   
2148 C C    . LYS   B 23  ? 0.57667  0.359912 0.252197 -0.0456386  0.0412138   0.0079495   35  LYS   A C    
2149 O O    . LYS   B 23  ? 0.590701 0.366472 0.226545 -0.0381505  0.035531    0.00030584  35  LYS   A O    
2150 C CB   . LYS   B 23  ? 0.524151 0.346844 0.282717 -0.0614503  0.0219721   -0.00753987 35  LYS   A CB   
2151 C CG   . LYS   B 23  ? 0.532715 0.345163 0.307449 -0.0665268  0.0463516   -0.0112474  35  LYS   A CG   
2152 C CD   . LYS   B 23  ? 0.507534 0.326669 0.313943 -0.0716398  0.0447794   -0.0244483  35  LYS   A CD   
2153 C CE   . LYS   B 23  ? 0.529549 0.344977 0.361081 -0.0744712  0.0670449   -0.0283896  35  LYS   A CE   
2154 N NZ   . LYS   B 23  ? 0.504581 0.315674 0.347104 -0.073833   0.0701228   -0.0448628  35  LYS   A NZ   
2155 H H    . LYS   B 23  ? 0.508531 0.337396 0.211549 -0.0431254  -0.011139   -0.00017853 35  LYS   A H    
2156 H HA   . LYS   B 23  ? 0.490033 0.303801 0.234231 -0.0552178  0.0285351   0.0115258   35  LYS   A HA   
2157 H HB2  . LYS   B 23  ? 0.484752 0.323927 0.272984 -0.0653606  0.0125586   -0.00533655 35  LYS   A HB2  
2158 H HB3  . LYS   B 23  ? 0.531969 0.352947 0.275299 -0.0594336  0.0141437   -0.0163626  35  LYS   A HB3  
2159 H HG2  . LYS   B 23  ? 0.559427 0.356047 0.304084 -0.0626037  0.0592194   -0.0114173  35  LYS   A HG2  
2160 H HG3  . LYS   B 23  ? 0.509322 0.326059 0.304792 -0.0694283  0.0512591   -0.0046201  35  LYS   A HG3  
2161 H HD2  . LYS   B 23  ? 0.489586 0.322653 0.322464 -0.0750295  0.0322549   -0.0217476  35  LYS   A HD2  
2162 H HD3  . LYS   B 23  ? 0.538446 0.351079 0.324391 -0.0689121  0.0402748   -0.0338502  35  LYS   A HD3  
2163 H HE2  . LYS   B 23  ? 0.535262 0.340036 0.346773 -0.0725787  0.0826284   -0.0254206  35  LYS   A HE2  
2164 H HE3  . LYS   B 23  ? 0.487598 0.314425 0.35066  -0.0779363  0.0647397   -0.0232156  35  LYS   A HE3  
2165 H HZ1  . LYS   B 23  ? 0.544736 0.345142 0.355687 -0.0697588  0.0724763   -0.0519259  35  LYS   A HZ1  
2166 H HZ2  . LYS   B 23  ? 0.499983 0.31808  0.362229 -0.076171   0.0562681   -0.0463695  35  LYS   A HZ2  
2167 H HZ3  . LYS   B 23  ? 0.513432 0.325266 0.375398 -0.0745123  0.083529    -0.0469275  35  LYS   A HZ3  
2168 N N    . ILE   B 24  ? 0.569559 0.337669 0.251852 -0.0495528  0.0658001   0.0168662   36  ILE   A N    
2169 C CA   . ILE   B 24  ? 0.60534  0.348962 0.254258 -0.0472623  0.0934245   0.0202332   36  ILE   A CA   
2170 C C    . ILE   B 24  ? 0.617169 0.366776 0.311604 -0.0589275  0.115776    0.0138209   36  ILE   A C    
2171 O O    . ILE   B 24  ? 0.587721 0.3466   0.330322 -0.0679568  0.119166    0.0166478   36  ILE   A O    
2172 C CB   . ILE   B 24  ? 0.671726 0.387886 0.286283 -0.0407692  0.107105    0.0404865   36  ILE   A CB   
2173 C CG1  . ILE   B 24  ? 0.693092 0.404108 0.264533 -0.0256183  0.0832655   0.0476914   36  ILE   A CG1  
2174 C CG2  . ILE   B 24  ? 0.744867 0.435249 0.327861 -0.0400216  0.143362    0.0488158   36  ILE   A CG2  
2175 C CD1  . ILE   B 24  ? 0.786096 0.465241 0.324569 -0.0168628  0.0953444   0.0701204   36  ILE   A CD1  
2176 H H    . ILE   B 24  ? 0.545359 0.319491 0.25519  -0.0538971  0.0657827   0.0206936   36  ILE   A H    
2177 H HA   . ILE   B 24  ? 0.642338 0.383151 0.261361 -0.0413421  0.0893681   0.0131212   36  ILE   A HA   
2178 H HB   . ILE   B 24  ? 0.645454 0.364168 0.292914 -0.0471437  0.10914     0.044609    36  ILE   A HB   
2179 H HG12 . ILE   B 24  ? 0.727825 0.438909 0.267552 -0.0188051  0.0768087   0.0412496   36  ILE   A HG12 
2180 H HG13 . ILE   B 24  ? 0.668487 0.39806  0.266234 -0.0271309  0.0645397   0.0433474   36  ILE   A HG13 
2181 H HG21 . ILE   B 24  ? 0.766835 0.437282 0.33015  -0.0364812  0.152416    0.0643293   36  ILE   A HG21 
2182 H HG22 . ILE   B 24  ? 0.767229 0.454911 0.314279 -0.0325783  0.14264     0.042921    36  ILE   A HG22 
2183 H HG23 . ILE   B 24  ? 0.721459 0.418412 0.340833 -0.049913   0.158431    0.0444405   36  ILE   A HG23 
2184 H HD11 . ILE   B 24  ? 0.752781 0.428107 0.323686 -0.025128   0.105389    0.0745526   36  ILE   A HD11 
2185 H HD12 . ILE   B 24  ? 0.775458 0.45617  0.297708 -0.00671881 0.0764101   0.073506    36  ILE   A HD12 
2186 H HD13 . ILE   B 24  ? 0.814169 0.474355 0.315782 -0.0123685  0.112131    0.0769017   36  ILE   A HD13 
2187 N N    . VAL   B 25  ? 0.633673 0.375822 0.307232 -0.0563251  0.13348     0.00491484  37  VAL   A N    
2188 C CA   . VAL   B 25  ? 0.632337 0.379315 0.345163 -0.0642855  0.159933    -0.00042445 37  VAL   A CA   
2189 C C    . VAL   B 25  ? 0.663302 0.390063 0.363625 -0.0666144  0.192477    0.017016    37  VAL   A C    
2190 O O    . VAL   B 25  ? 0.725475 0.42943  0.365665 -0.0574358  0.210136    0.0258962   37  VAL   A O    
2191 C CB   . VAL   B 25  ? 0.655851 0.403919 0.355404 -0.0589825  0.1675      -0.0192088  37  VAL   A CB   
2192 C CG1  . VAL   B 25  ? 0.685693 0.441076 0.427809 -0.0644326  0.198334    -0.0251561  37  VAL   A CG1  
2193 C CG2  . VAL   B 25  ? 0.622232 0.384914 0.339925 -0.0587937  0.135625    -0.0351238  37  VAL   A CG2  
2194 H H    . VAL   B 25  ? 0.666437 0.401854 0.301805 -0.0485938  0.12852     0.00090788  37  VAL   A H    
2195 H HA   . VAL   B 25  ? 0.590874 0.353349 0.349228 -0.0710686  0.151668    -0.00309145 37  VAL   A HA   
2196 H HB   . VAL   B 25  ? 0.703797 0.436922 0.352471 -0.0506942  0.173946    -0.0175621  37  VAL   A HB   
2197 H HG11 . VAL   B 25  ? 0.638391 0.407657 0.428839 -0.0719377  0.193134    -0.0240408  37  VAL   A HG11 
2198 H HG12 . VAL   B 25  ? 0.707115 0.451268 0.430929 -0.0639104  0.222411    -0.0160532  37  VAL   A HG12 
2199 H HG13 . VAL   B 25  ? 0.684586 0.442494 0.425221 -0.0602371  0.19914     -0.0394977  37  VAL   A HG13 
2200 H HG21 . VAL   B 25  ? 0.639904 0.400695 0.353377 -0.0556042  0.140841    -0.0487224  37  VAL   A HG21 
2201 H HG22 . VAL   B 25  ? 0.629493 0.389525 0.32023  -0.0548758  0.117991    -0.0330875  37  VAL   A HG22 
2202 H HG23 . VAL   B 25  ? 0.584169 0.360558 0.345832 -0.0653621  0.127889    -0.0337572  37  VAL   A HG23 
2203 N N    . LYS   B 26  ? 0.600532 0.336129 0.359745 -0.0788838  0.202872    0.0204997   38  LYS   A N    
2204 C CA   . LYS   B 26  ? 0.642269 0.359978 0.408013 -0.0856979  0.234766    0.0361602   38  LYS   A CA   
2205 C C    . LYS   B 26  ? 0.672278 0.398147 0.468237 -0.0916926  0.270434    0.0306919   38  LYS   A C    
2206 O O    . LYS   B 26  ? 0.745766 0.452342 0.524311 -0.0937629  0.306025    0.0456725   38  LYS   A O    
2207 C CB   . LYS   B 26  ? 0.627232 0.347337 0.440744 -0.0959414  0.223623    0.0412545   38  LYS   A CB   
2208 C CG   . LYS   B 26  ? 0.658849 0.370071 0.441317 -0.0876272  0.192995    0.0475395   38  LYS   A CG   
2209 C CD   . LYS   B 26  ? 0.73739  0.416805 0.445229 -0.07435    0.197326    0.0650766   38  LYS   A CD   
2210 C CE   . LYS   B 26  ? 0.746471 0.393314 0.445313 -0.0765851  0.218065    0.0854771   38  LYS   A CE   
2211 N NZ   . LYS   B 26  ? 0.829243 0.44225  0.452587 -0.0619586  0.228765    0.106282    38  LYS   A NZ   
2212 H H    . LYS   B 26  ? 0.572862 0.326261 0.371015 -0.083323   0.188962    0.0127322   38  LYS   A H    
2213 H HA   . LYS   B 26  ? 0.687331 0.383349 0.40257  -0.078418   0.241621    0.0480666   38  LYS   A HA   
2214 H HB2  . LYS   B 26  ? 0.594702 0.337014 0.45488  -0.101666   0.214687    0.0296398   38  LYS   A HB2  
2215 H HB3  . LYS   B 26  ? 0.656087 0.362079 0.47823  -0.102038   0.245963    0.0512049   38  LYS   A HB3  
2216 H HG2  . LYS   B 26  ? 0.62517  0.354072 0.41041  -0.0841526  0.171662    0.0376806   38  LYS   A HG2  
2217 H HG3  . LYS   B 26  ? 0.639662 0.350418 0.452029 -0.093504   0.189002    0.0490049   38  LYS   A HG3  
2218 H HD2  . LYS   B 26  ? 0.74866  0.42508  0.42616  -0.0693839  0.20809     0.0639555   38  LYS   A HD2  
2219 H HD3  . LYS   B 26  ? 0.710643 0.395048 0.402603 -0.0669838  0.172912    0.0631015   38  LYS   A HD3  
2220 H HE2  . LYS   B 26  ? 0.736888 0.383698 0.456621 -0.0783065  0.203209    0.0851795   38  LYS   A HE2  
2221 H HE3  . LYS   B 26  ? 0.762428 0.40893  0.491888 -0.0870269  0.2411      0.0861909   38  LYS   A HE3  
2222 H HZ1  . LYS   B 26  ? 0.820857 0.436284 0.417786 -0.0516467  0.206343    0.104723    38  LYS   A HZ1  
2223 H HZ2  . LYS   B 26  ? 0.849526 0.460776 0.450159 -0.0597789  0.245133    0.106876    38  LYS   A HZ2  
2224 H HZ3  . LYS   B 26  ? 0.848519 0.439509 0.473441 -0.0644148  0.241403    0.120326    38  LYS   A HZ3  
2225 N N    . ARG   B 27  ? 0.640896 0.395344 0.488245 -0.0947213  0.262804    0.0118054   39  ARG   A N    
2226 C CA   . ARG   B 27  ? 0.678761 0.446989 0.561536 -0.0974631  0.294095    0.0027614   39  ARG   A CA   
2227 C C    . ARG   B 27  ? 0.662324 0.447198 0.551187 -0.0886409  0.278215    -0.0185929  39  ARG   A C    
2228 O O    . ARG   B 27  ? 0.646827 0.447888 0.567895 -0.089454   0.245711    -0.0271088  39  ARG   A O    
2229 C CB   . ARG   B 27  ? 0.685809 0.476606 0.656573 -0.112436   0.303277    0.000363    39  ARG   A CB   
2230 C CG   . ARG   B 27  ? 0.689911 0.499612 0.703543 -0.114088   0.337891    -0.00911821 39  ARG   A CG   
2231 C CD   . ARG   B 27  ? 0.698936 0.535933 0.806336 -0.128732   0.343108    -0.0138825  39  ARG   A CD   
2232 N NE   . ARG   B 27  ? 0.671005 0.535886 0.827695 -0.126999   0.303032    -0.0298607  39  ARG   A NE   
2233 C CZ   . ARG   B 27  ? 0.653386 0.543418 0.886032 -0.137327   0.290499    -0.0366011  39  ARG   A CZ   
2234 N NH1  . ARG   B 27  ? 0.628384 0.542417 0.894138 -0.131769   0.254108    -0.0490209  39  ARG   A NH1  
2235 N NH2  . ARG   B 27  ? 0.624979 0.514086 0.898109 -0.152939   0.314721    -0.0302101  39  ARG   A NH2  
2236 H H    . ARG   B 27  ? 0.609595 0.376007 0.472185 -0.094252   0.237333    0.00481892  39  ARG   A H    
2237 H HA   . ARG   B 27  ? 0.72503  0.477672 0.572227 -0.0942533  0.320335    0.0109246   39  ARG   A HA   
2238 H HB2  . ARG   B 27  ? 0.687117 0.465272 0.65944  -0.119549   0.312212    0.012726    39  ARG   A HB2  
2239 H HB3  . ARG   B 27  ? 0.63407  0.440603 0.634914 -0.113475   0.276728    -0.00784848 39  ARG   A HB3  
2240 H HG2  . ARG   B 27  ? 0.690678 0.51053  0.703475 -0.10592    0.328747    -0.0222349  39  ARG   A HG2  
2241 H HG3  . ARG   B 27  ? 0.744597 0.539103 0.725699 -0.112557   0.366976    0.00013944  39  ARG   A HG3  
2242 H HD2  . ARG   B 27  ? 0.712477 0.560572 0.846308 -0.130256   0.371101    -0.0171336  39  ARG   A HD2  
2243 H HD3  . ARG   B 27  ? 0.70279  0.528099 0.814244 -0.13768    0.346572    -0.00288099 39  ARG   A HD3  
2244 H HE   . ARG   B 27  ? 0.656314 0.521157 0.791273 -0.118411   0.286122    -0.035128   39  ARG   A HE   
2245 H HH11 . ARG   B 27  ? 0.613784 0.525367 0.853446 -0.122719   0.239316    -0.0510531  39  ARG   A HH11 
2246 H HH12 . ARG   B 27  ? 0.605357 0.537392 0.919046 -0.136927   0.244642    -0.0548951  39  ARG   A HH12 
2247 H HH21 . ARG   B 27  ? 0.658592 0.552645 0.951829 -0.15676    0.343527    -0.0291432  39  ARG   A HH21 
2248 H HH22 . ARG   B 27  ? 0.631351 0.514605 0.912474 -0.159507   0.30243     -0.0273813  39  ARG   A HH22 
2249 N N    . VAL   B 28  ? 0.692781 0.469657 0.542869 -0.0784889  0.300423    -0.0265793  40  VAL   A N    
2250 C CA   . VAL   B 28  ? 0.701003 0.486939 0.554495 -0.0690439  0.287095    -0.0493222  40  VAL   A CA   
2251 C C    . VAL   B 28  ? 0.679273 0.494417 0.620105 -0.0738572  0.288456    -0.0609149  40  VAL   A C    
2252 O O    . VAL   B 28  ? 0.679374 0.509457 0.669699 -0.0813688  0.315033    -0.0569371  40  VAL   A O    
2253 C CB   . VAL   B 28  ? 0.801077 0.572107 0.594294 -0.0550393  0.312809    -0.0601667  40  VAL   A CB   
2254 C CG1  . VAL   B 28  ? 0.821814 0.599703 0.629125 -0.0457558  0.29897     -0.0876362  40  VAL   A CG1  
2255 C CG2  . VAL   B 28  ? 0.833837 0.577349 0.534193 -0.0459726  0.306281    -0.0508077  40  VAL   A CG2  
2256 H H    . VAL   B 28  ? 0.739991 0.504012 0.559889 -0.0768009  0.325011    -0.0178537  40  VAL   A H    
2257 H HA   . VAL   B 28  ? 0.689402 0.472482 0.529054 -0.0674055  0.258353    -0.0513617  40  VAL   A HA   
2258 H HB   . VAL   B 28  ? 0.816409 0.591259 0.62277  -0.0566648  0.344857    -0.0560434  40  VAL   A HB   
2259 H HG11 . VAL   B 28  ? 0.782226 0.561592 0.599648 -0.0479234  0.268477    -0.0901864  40  VAL   A HG11 
2260 H HG12 . VAL   B 28  ? 0.800794 0.593946 0.657247 -0.0470027  0.312577    -0.0940497  40  VAL   A HG12 
2261 H HG13 . VAL   B 28  ? 0.856993 0.622058 0.614884 -0.0357205  0.307007    -0.0966171  40  VAL   A HG13 
2262 H HG21 . VAL   B 28  ? 0.884628 0.619908 0.545377 -0.0360096  0.323474    -0.0585172  40  VAL   A HG21 
2263 H HG22 . VAL   B 28  ? 0.845601 0.581194 0.536513 -0.0507283  0.315581    -0.0320056  40  VAL   A HG22 
2264 H HG23 . VAL   B 28  ? 0.819485 0.561836 0.510394 -0.0445456  0.275325    -0.0561691  40  VAL   A HG23 
2265 N N    . GLY   B 29  ? 0.65369  0.476811 0.615281 -0.0683213  0.26152     -0.0759607  41  GLY   A N    
2266 C CA   . GLY   B 29  ? 0.631852 0.480447 0.670692 -0.0679685  0.259456    -0.0867518  41  GLY   A CA   
2267 C C    . GLY   B 29  ? 0.656886 0.507528 0.705467 -0.05574    0.28111     -0.107246   41  GLY   A C    
2268 O O    . GLY   B 29  ? 0.741238 0.579147 0.744314 -0.0491593  0.310902    -0.112657   41  GLY   A O    
2269 H H    . GLY   B 29  ? 0.658913 0.471179 0.587899 -0.064457   0.24332     -0.0788766  41  GLY   A H    
2270 H HA2  . GLY   B 29  ? 0.615964 0.47838  0.691742 -0.0750922  0.269843    -0.0804685  41  GLY   A HA2  
2271 H HA3  . GLY   B 29  ? 0.599147 0.451331 0.652011 -0.0680389  0.231787    -0.0869681  41  GLY   A HA3  
2272 N N    . ASN   B 30  ? 0.616779 0.484148 0.72639  -0.0507912  0.266529    -0.118258   42  ASN   A N    
2273 C CA   . ASN   B 30  ? 0.657155 0.533311 0.800705 -0.0382516  0.28705     -0.138292   42  ASN   A CA   
2274 C C    . ASN   B 30  ? 0.656888 0.517234 0.797066 -0.0277705  0.259583    -0.152652   42  ASN   A C    
2275 O O    . ASN   B 30  ? 0.691873 0.553032 0.852944 -0.0310724  0.225845    -0.144252   42  ASN   A O    
2276 C CB   . ASN   B 30  ? 0.658749 0.570795 0.89259  -0.0394059  0.294079    -0.138964   42  ASN   A CB   
2277 C CG   . ASN   B 30  ? 0.706639 0.634427 0.957383 -0.0537134  0.317816    -0.125006   42  ASN   A CG   
2278 O OD1  . ASN   B 30  ? 0.760966 0.702424 1.04444  -0.0647918  0.297475    -0.113482   42  ASN   A OD1  
2279 N ND2  . ASN   B 30  ? 0.820366 0.742106 1.04149  -0.0535844  0.360468    -0.125176   42  ASN   A ND2  
2280 H H    . ASN   B 30  ? 0.592397 0.465706 0.723018 -0.0541004  0.242388    -0.112536   42  ASN   A H    
2281 H HA   . ASN   B 30  ? 0.697146 0.566354 0.809608 -0.0346925  0.314126    -0.143092   42  ASN   A HA   
2282 H HB2  . ASN   B 30  ? 0.631348 0.54995  0.892593 -0.0398888  0.266379    -0.135369   42  ASN   A HB2  
2283 H HB3  . ASN   B 30  ? 0.679904 0.598605 0.936238 -0.0295978  0.310263    -0.152767   42  ASN   A HB3  
2284 H HD21 . ASN   B 30  ? 0.805565 0.723882 1.01282  -0.0626936  0.373119    -0.11307    42  ASN   A HD21 
2285 H HD22 . ASN   B 30  ? 0.823354 0.743531 1.03735  -0.043759   0.377181    -0.136962   42  ASN   A HD22 
2286 N N    . GLY   B 31  ? 0.74782  0.592997 0.862129 -0.0147749  0.27657     -0.17451    43  GLY   A N    
2287 C CA   . GLY   B 31  ? 0.748843 0.575007 0.867826 -0.00414032 0.255122    -0.193161   43  GLY   A CA   
2288 C C    . GLY   B 31  ? 0.759704 0.558582 0.82037  -0.0100193  0.225482    -0.191556   43  GLY   A C    
2289 O O    . GLY   B 31  ? 0.85007  0.644073 0.856766 -0.0178685  0.225786    -0.179911   43  GLY   A O    
2290 H H    . GLY   B 31  ? 0.763704 0.609104 0.856016 -0.0121298  0.303494    -0.178392   43  GLY   A H    
2291 H HA2  . GLY   B 31  ? 0.787728 0.609097 0.900676 0.00670984  0.274463    -0.21142    43  GLY   A HA2  
2292 H HA3  . GLY   B 31  ? 0.724422 0.560641 0.894352 -0.00307174 0.240771    -0.189525   43  GLY   A HA3  
2293 N N    . GLU   B 32  ? 0.77404  0.555692 0.852497 -0.00591146 0.200024    -0.202811   44  GLU   A N    
2294 C CA   . GLU   B 32  ? 0.771566 0.529709 0.809555 -0.0121987  0.171425    -0.205352   44  GLU   A CA   
2295 C C    . GLU   B 32  ? 0.698435 0.461807 0.774537 -0.023046   0.139903    -0.181801   44  GLU   A C    
2296 O O    . GLU   B 32  ? 0.684978 0.442212 0.731543 -0.0330469  0.119824    -0.172663   44  GLU   A O    
2297 C CB   . GLU   B 32  ? 0.791632 0.522499 0.8112   -0.00012174 0.172028    -0.239962   44  GLU   A CB   
2298 H H    . GLU   B 32  ? 0.764492 0.549128 0.885132 0.0010456   0.200731    -0.209193   44  GLU   A H    
2299 H HA   . GLU   B 32  ? 0.770945 0.529168 0.763849 -0.0166364  0.174964    -0.19991    44  GLU   A HA   
2302 N N    . GLU   B 33  ? 0.649352 0.426166 0.788074 -0.0196566  0.135802    -0.171168   45  GLU   A N    
2303 C CA   . GLU   B 33  ? 0.614784 0.391994 0.783776 -0.0258486  0.106979    -0.149741   45  GLU   A CA   
2304 C C    . GLU   B 33  ? 0.566487 0.362518 0.715689 -0.0383121  0.0970561   -0.124481   45  GLU   A C    
2305 O O    . GLU   B 33  ? 0.518017 0.335031 0.663331 -0.0406016  0.110711    -0.117281   45  GLU   A O    
2306 C CB   . GLU   B 33  ? 0.604074 0.390649 0.838636 -0.0153284  0.102263    -0.142609   45  GLU   A CB   
2307 H H    . GLU   B 33  ? 0.658026 0.445105 0.820765 -0.0123561  0.151635    -0.176796   45  GLU   A H    
2308 H HA   . GLU   B 33  ? 0.629046 0.386258 0.788482 -0.0280639  0.0946332   -0.155936   45  GLU   A HA   
2311 N N    . THR   B 34  ? 0.534691 0.322744 0.676101 -0.0467005  0.0733922   -0.111021   46  THR   A N    
2312 C CA   . THR   B 34  ? 0.505218 0.310832 0.635285 -0.0558433  0.0606892   -0.0866675  46  THR   A CA   
2313 C C    . THR   B 34  ? 0.48586  0.293038 0.651583 -0.0553552  0.0412504   -0.066849   46  THR   A C    
2314 O O    . THR   B 34  ? 0.506532 0.294295 0.697664 -0.0513769  0.0356622   -0.0711412  46  THR   A O    
2315 C CB   . THR   B 34  ? 0.526915 0.325464 0.609401 -0.0653056  0.0528592   -0.0870497  46  THR   A CB   
2316 O OG1  . THR   B 34  ? 0.49874  0.276298 0.589161 -0.0682002  0.0388606   -0.0956175  46  THR   A OG1  
2317 C CG2  . THR   B 34  ? 0.554175 0.348156 0.591858 -0.0630151  0.0715371   -0.103027   46  THR   A CG2  
2318 H H    . THR   B 34  ? 0.55732  0.328201 0.702584 -0.0465716  0.0655926   -0.118166   46  THR   A H    
2319 H HA   . THR   B 34  ? 0.493279 0.314728 0.62504  -0.0550764  0.0694337   -0.0824811  46  THR   A HA   
2320 H HB   . THR   B 34  ? 0.492247 0.303204 0.569944 -0.0700037  0.0450275   -0.0712386  46  THR   A HB   
2322 H HG21 . THR   B 34  ? 0.555171 0.348358 0.562052 -0.0675109  0.0648706   -0.100015   46  THR   A HG21 
2323 H HG22 . THR   B 34  ? 0.580629 0.36104  0.615394 -0.0581312  0.0773661   -0.120427   46  THR   A HG22 
2324 H HG23 . THR   B 34  ? 0.544489 0.349749 0.587129 -0.0611717  0.0846216   -0.0988358  46  THR   A HG23 
2325 N N    . PRO   B 35  ? 0.448441 0.277167 0.617414 -0.0572167  0.0319679   -0.0448699  47  PRO   A N    
2326 C CA   . PRO   B 35  ? 0.458819 0.290361 0.658519 -0.0520796  0.0167111   -0.0242395  47  PRO   A CA   
2327 C C    . PRO   B 35  ? 0.455944 0.271529 0.651981 -0.0598588  0.00455365  -0.0106683  47  PRO   A C    
2328 O O    . PRO   B 35  ? 0.44353  0.259081 0.611386 -0.0709093  0.00248351  -0.0114249  47  PRO   A O    
2329 C CB   . PRO   B 35  ? 0.406622 0.268234 0.600972 -0.0506772  0.0109701   -0.00908516 47  PRO   A CB   
2330 C CG   . PRO   B 35  ? 0.433691 0.301386 0.590966 -0.0598532  0.0198282   -0.0169196  47  PRO   A CG   
2331 C CD   . PRO   B 35  ? 0.475051 0.324999 0.620532 -0.0613711  0.036805    -0.0397873  47  PRO   A CD   
2332 H HA   . PRO   B 35  ? 0.45873  0.285464 0.686253 -0.0433929  0.018857    -0.0292532  47  PRO   A HA   
2333 H HB2  . PRO   B 35  ? 0.416539 0.281645 0.609173 -0.0506187  -6.189e-05  0.00793173  47  PRO   A HB2  
2334 H HB3  . PRO   B 35  ? 0.417245 0.289576 0.634585 -0.0430566  0.0125353   -0.0121664  47  PRO   A HB3  
2335 H HG2  . PRO   B 35  ? 0.424485 0.291425 0.561839 -0.0654084  0.0132362   -0.00845241 47  PRO   A HG2  
2336 H HG3  . PRO   B 35  ? 0.416219 0.299709 0.576536 -0.058357   0.0215159   -0.0161186  47  PRO   A HG3  
2337 H HD2  . PRO   B 35  ? 0.462252 0.307239 0.576871 -0.0673507  0.0382593   -0.0423243  47  PRO   A HD2  
2338 H HD3  . PRO   B 35  ? 0.459029 0.316101 0.614455 -0.0580501  0.0485032   -0.0478698  47  PRO   A HD3  
2339 N N    . MET   B 36  ? 0.441177 0.246436 0.669375 -0.0530206  -0.00357529 0.00465902  48  MET   A N    
2340 C CA   . MET   B 36  ? 0.465763 0.253014 0.704119 -0.0600275  -0.0123053  0.0225879   48  MET   A CA   
2341 C C    . MET   B 36  ? 0.458856 0.26699  0.689213 -0.058388   -0.0202657  0.0555369   48  MET   A C    
2342 O O    . MET   B 36  ? 0.415282 0.246549 0.64124  -0.0471322  -0.0234969  0.0631257   48  MET   A O    
2343 C CB   . MET   B 36  ? 0.511495 0.269259 0.790484 -0.050907   -0.0143747  0.0237805   48  MET   A CB   
2344 C CG   . MET   B 36  ? 0.59457  0.327321 0.88519  -0.0493001  -0.00677535 -0.00983606 48  MET   A CG   
2345 S SD   . MET   B 36  ? 0.567238 0.279972 0.838629 -0.0690702  -0.00885656 -0.0307659  48  MET   A SD   
2346 C CE   . MET   B 36  ? 0.651102 0.336333 0.931639 -0.0586512  0.00067985  -0.0732744  48  MET   A CE   
2347 H H    . MET   B 36  ? 0.450707 0.260343 0.697981 -0.0429903  -0.0032154  0.00498669  48  MET   A H    
2348 H HA   . MET   B 36  ? 0.471278 0.251803 0.696843 -0.0706523  -0.0116993  0.0135053   48  MET   A HA   
2349 H HB2  . MET   B 36  ? 0.517308 0.284435 0.808344 -0.0388245  -0.0165257  0.0327541   48  MET   A HB2  
2350 H HB3  . MET   B 36  ? 0.532912 0.278102 0.820997 -0.0564731  -0.0192533  0.0399193   48  MET   A HB3  
2351 H HG2  . MET   B 36  ? 0.560285 0.306212 0.841715 -0.044023   0.00101271  -0.0244632  48  MET   A HG2  
2352 H HG3  . MET   B 36  ? 0.591073 0.305132 0.910376 -0.0413279  -0.00866855 -0.00771029 48  MET   A HG3  
2353 H HE1  . MET   B 36  ? 0.656989 0.327241 0.929741 -0.0666263  -0.00278459 -0.089744   48  MET   A HE1  
2354 H HE2  . MET   B 36  ? 0.628101 0.329013 0.890681 -0.0527859  0.0102889   -0.0837209  48  MET   A HE2  
2355 H HE3  . MET   B 36  ? 0.653911 0.323729 0.965458 -0.0499672  1.476e-05   -0.0699168  48  MET   A HE3  
2356 N N    . ILE   B 37  ? 0.441509 0.242748 0.671823 -0.0692611  -0.0232506  0.0737018   49  ILE   A N    
2357 C CA   . ILE   B 37  ? 0.4401   0.258336 0.662091 -0.0658307  -0.0273258  0.107665    49  ILE   A CA   
2358 C C    . ILE   B 37  ? 0.429881 0.241826 0.67038  -0.0473929  -0.0330595  0.126854    49  ILE   A C    
2359 O O    . ILE   B 37  ? 0.453326 0.236003 0.724939 -0.0433043  -0.0334967  0.12722     49  ILE   A O    
2360 C CB   . ILE   B 37  ? 0.449729 0.261137 0.678551 -0.0812145  -0.025284   0.12587     49  ILE   A CB   
2361 C CG1  . ILE   B 37  ? 0.468722 0.295726 0.677545 -0.0953785  -0.0237147  0.107879    49  ILE   A CG1  
2362 C CG2  . ILE   B 37  ? 0.447981 0.27388  0.668355 -0.0742723  -0.0250438  0.165397    49  ILE   A CG2  
2363 C CD1  . ILE   B 37  ? 0.513902 0.337503 0.742023 -0.112383   -0.0224841  0.120224    49  ILE   A CD1  
2364 H H    . ILE   B 37  ? 0.458183 0.244852 0.694446 -0.0786679  -0.0223072  0.0645012   49  ILE   A H    
2365 H HA   . ILE   B 37  ? 0.413619 0.254594 0.612491 -0.0642128  -0.02766    0.105777    49  ILE   A HA   
2366 H HB   . ILE   B 37  ? 0.476273 0.262387 0.730523 -0.0854645  -0.0250514  0.123378    49  ILE   A HB   
2367 H HG12 . ILE   B 37  ? 0.447013 0.296817 0.631947 -0.0910625  -0.0236055  0.111168    49  ILE   A HG12 
2368 H HG13 . ILE   B 37  ? 0.463885 0.281566 0.67145  -0.0970251  -0.0237685  0.0837162   49  ILE   A HG13 
2369 H HG21 . ILE   B 37  ? 0.458554 0.284789 0.684371 -0.0851746  -0.0208201  0.177189    49  ILE   A HG21 
2370 H HG22 . ILE   B 37  ? 0.434537 0.283984 0.63     -0.0672891  -0.0268589  0.165626    49  ILE   A HG22 
2371 H HG23 . ILE   B 37  ? 0.472082 0.283504 0.70645  -0.0650569  -0.0271109  0.178611    49  ILE   A HG23 
2372 H HD11 . ILE   B 37  ? 0.525671 0.325376 0.781565 -0.115874   -0.0225499  0.124012    49  ILE   A HD11 
2373 H HD12 . ILE   B 37  ? 0.495089 0.323528 0.716929 -0.120609   -0.0243869  0.102136    49  ILE   A HD12 
2374 H HD13 . ILE   B 37  ? 0.49923  0.340107 0.719959 -0.111364   -0.0196321  0.142209    49  ILE   A HD13 
2375 N N    . GLY   B 38  ? 0.437708 0.27809  0.657332 -0.0346813  -0.0393607  0.140528    50  GLY   A N    
2376 C CA   . GLY   B 38  ? 0.471943 0.315067 0.701709 -0.0134217  -0.0496687  0.157649    50  GLY   A CA   
2377 C C    . GLY   B 38  ? 0.467975 0.329161 0.709127 -0.00102429 -0.0557012  0.132927    50  GLY   A C    
2378 O O    . GLY   B 38  ? 0.46797  0.340365 0.717711 0.0186457   -0.0687239  0.144022    50  GLY   A O    
2379 H H    . GLY   B 38  ? 0.418774 0.278142 0.616021 -0.0385991  -0.0385602  0.137889    50  GLY   A H    
2380 H HA2  . GLY   B 38  ? 0.475724 0.333366 0.684613 -0.00842242 -0.0534425  0.177501    50  GLY   A HA2  
2381 H HA3  . GLY   B 38  ? 0.495159 0.313895 0.746908 -0.0108224  -0.0494134  0.167543    50  GLY   A HA3  
2382 N N    . ASP   B 39  ? 0.420163 0.280253 0.669331 -0.0103284  -0.0461668  0.100813    51  ASP   A N    
2383 C CA   . ASP   B 39  ? 0.410573 0.288886 0.679432 -0.00097363 -0.0468628  0.0778555   51  ASP   A CA   
2384 C C    . ASP   B 39  ? 0.378255 0.292887 0.627561 0.00302474  -0.0563106  0.0783015   51  ASP   A C    
2385 O O    . ASP   B 39  ? 0.38525  0.309303 0.598836 -0.00607495 -0.0556437  0.0844577   51  ASP   A O    
2386 C CB   . ASP   B 39  ? 0.401196 0.272173 0.673596 -0.0125798  -0.0297809  0.0464907   51  ASP   A CB   
2387 C CG   . ASP   B 39  ? 0.424779 0.26287  0.722029 -0.0119785  -0.0213473  0.0340305   51  ASP   A CG   
2388 O OD1  . ASP   B 39  ? 0.453481 0.272825 0.77429  -0.00206014 -0.0290215  0.0490503   51  ASP   A OD1  
2389 O OD2  . ASP   B 39  ? 0.435194 0.265266 0.725141 -0.0202796  -0.00699146 0.00893525  51  ASP   A OD2  
2390 H H    . ASP   B 39  ? 0.423946 0.272737 0.666934 -0.0225382  -0.0385491  0.0931325   51  ASP   A H    
2391 H HA   . ASP   B 39  ? 0.424381 0.297113 0.718738 0.0115725   -0.052383   0.0817849   51  ASP   A HA   
2392 H HB2  . ASP   B 39  ? 0.390086 0.261489 0.636376 -0.024232   -0.0253169  0.0448832   51  ASP   A HB2  
2393 H HB3  . ASP   B 39  ? 0.389511 0.277742 0.672633 -0.00854566 -0.0279162  0.0340279   51  ASP   A HB3  
2394 N N    . LYS   B 40  ? 0.408316 0.343373 0.686017 0.0178634   -0.066496   0.0701296   52  LYS   A N    
2395 C CA   . LYS   B 40  ? 0.400895 0.370373 0.670515 0.0211031   -0.0775695  0.0622976   52  LYS   A CA   
2396 C C    . LYS   B 40  ? 0.36351  0.337677 0.638261 0.00492478  -0.0598072  0.0350397   52  LYS   A C    
2397 O O    . LYS   B 40  ? 0.414595 0.385866 0.724084 0.00442216  -0.0475459  0.0174101   52  LYS   A O    
2398 C CB   . LYS   B 40  ? 0.443328 0.433926 0.744727 0.0437304   -0.0991307  0.0650341   52  LYS   A CB   
2399 C CG   . LYS   B 40  ? 0.456724 0.484583 0.752006 0.0505984   -0.118742   0.0565333   52  LYS   A CG   
2400 C CD   . LYS   B 40  ? 0.476783 0.529688 0.80076  0.0758547   -0.146677   0.0587636   52  LYS   A CD   
2401 H H    . LYS   B 40  ? 0.41419  0.3421   0.719647 0.0263031   -0.0674377  0.0679297   52  LYS   A H    
2402 H HA   . LYS   B 40  ? 0.401914 0.374902 0.63954  0.0193298   -0.0821277  0.0747059   52  LYS   A HA   
2403 H HB2  . LYS   B 40  ? 0.463062 0.442485 0.757097 0.0537954   -0.106756   0.0857396   52  LYS   A HB2  
2404 H HB3  . LYS   B 40  ? 0.439284 0.429928 0.776404 0.0459318   -0.0938582  0.0514089   52  LYS   A HB3  
2405 H HG2  . LYS   B 40  ? 0.432523 0.469503 0.741265 0.039969    -0.110342   0.036534    52  LYS   A HG2  
2406 H HG3  . LYS   B 40  ? 0.454479 0.482199 0.71175  0.0486323   -0.121817   0.0677434   52  LYS   A HG3  
2409 N N    . VAL   B 41  ? 0.374546 0.357744 0.616399 -0.00563861 -0.0581906  0.0321152   53  VAL   A N    
2410 C CA   . VAL   B 41  ? 0.343688 0.325718 0.583487 -0.0207021  -0.0400628  0.0118787   53  VAL   A CA   
2411 C C    . VAL   B 41  ? 0.365973 0.374735 0.617494 -0.0209645  -0.0481198  -0.00108324 53  VAL   A C    
2412 O O    . VAL   B 41  ? 0.309252 0.332343 0.541414 -0.0144467  -0.066475   0.00585655  53  VAL   A O    
2413 C CB   . VAL   B 41  ? 0.401299 0.364437 0.596099 -0.0334654  -0.0300443  0.018317    53  VAL   A CB   
2414 C CG1  . VAL   B 41  ? 0.449705 0.40835  0.632104 -0.0463654  -0.0126803  0.00221641  53  VAL   A CG1  
2415 C CG2  . VAL   B 41  ? 0.433854 0.371125 0.62774  -0.0351152  -0.0240629  0.0258872   53  VAL   A CG2  
2416 H H    . VAL   B 41  ? 0.367756 0.356982 0.587038 -0.00239936 -0.0678217  0.0436956   53  VAL   A H    
2417 H HA   . VAL   B 41  ? 0.364865 0.340473 0.627255 -0.0216176  -0.0290789  0.00213976  53  VAL   A HA   
2418 H HB   . VAL   B 41  ? 0.400327 0.371005 0.574741 -0.0311771  -0.0398667  0.0288514   53  VAL   A HB   
2419 H HG11 . VAL   B 41  ? 0.431535 0.390057 0.637209 -0.0468713  -0.0029219  -0.00893265 53  VAL   A HG11 
2420 H HG12 . VAL   B 41  ? 0.423537 0.393545 0.598677 -0.0473661  -0.0176264  0.00066046  53  VAL   A HG12 
2421 H HG13 . VAL   B 41  ? 0.433041 0.377316 0.591932 -0.0523599  -0.00626549 0.00476801  53  VAL   A HG13 
2422 H HG21 . VAL   B 41  ? 0.426068 0.353937 0.596277 -0.0437251  -0.0184535  0.0265469   53  VAL   A HG21 
2423 H HG22 . VAL   B 41  ? 0.436012 0.372898 0.633133 -0.0280575  -0.0340648  0.0405566   53  VAL   A HG22 
2424 H HG23 . VAL   B 41  ? 0.432961 0.363331 0.647879 -0.0341344  -0.0159845  0.0148648   53  VAL   A HG23 
2425 N N    . TYR   B 42  ? 0.323856 0.337989 0.60716  -0.0288346  -0.0326584  -0.0204344  54  TYR   A N    
2426 C CA   . TYR   B 42  ? 0.335879 0.371729 0.639855 -0.0337121  -0.0371146  -0.0352571  54  TYR   A CA   
2427 C C    . TYR   B 42  ? 0.309153 0.32817  0.592465 -0.051153   -0.013169   -0.0417728  54  TYR   A C    
2428 O O    . TYR   B 42  ? 0.310535 0.315221 0.599308 -0.0580291  0.0121298   -0.0462122  54  TYR   A O    
2429 C CB   . TYR   B 42  ? 0.379745 0.438898 0.751171 -0.0288579  -0.036552   -0.0505801  54  TYR   A CB   
2430 C CG   . TYR   B 42  ? 0.400636 0.477414 0.798755 -0.00798006 -0.0619107  -0.0446242  54  TYR   A CG   
2431 C CD1  . TYR   B 42  ? 0.433484 0.492613 0.830832 0.00202302  -0.0583296  -0.0325115  54  TYR   A CD1  
2432 C CD2  . TYR   B 42  ? 0.391256 0.500511 0.815976 0.00282238  -0.0906083  -0.0521393  54  TYR   A CD2  
2433 C CE1  . TYR   B 42  ? 0.4397   0.509696 0.859377 0.0230915   -0.0810699  -0.0232775  54  TYR   A CE1  
2434 C CE2  . TYR   B 42  ? 0.441451 0.566057 0.886128 0.0251975   -0.115452   -0.0445241  54  TYR   A CE2  
2435 C CZ   . TYR   B 42  ? 0.471019 0.574191 0.91112  0.0357365   -0.109937   -0.0275484  54  TYR   A CZ   
2436 O OH   . TYR   B 42  ? 0.556716 0.67011  1.01515  0.0596762   -0.133963   -0.0165141  54  TYR   A OH   
2437 H H    . TYR   B 42  ? 0.338923 0.342595 0.632474 -0.0314887  -0.0181649  -0.0248089  54  TYR   A H    
2438 H HA   . TYR   B 42  ? 0.335783 0.38192  0.62601  -0.0281311  -0.0553626  -0.0315268  54  TYR   A HA   
2439 H HB2  . TYR   B 42  ? 0.372171 0.42121  0.754052 -0.033639   -0.0160442  -0.0544996  54  TYR   A HB2  
2440 H HB3  . TYR   B 42  ? 0.36763  0.441213 0.758771 -0.0345785  -0.038514   -0.0618954  54  TYR   A HB3  
2441 H HD1  . TYR   B 42  ? 0.4256   0.463128 0.805259 -0.00488584 -0.0413512  -0.0301752  54  TYR   A HD1  
2442 H HD2  . TYR   B 42  ? 0.398402 0.518559 0.827399 -0.00429646 -0.0943638  -0.0629801  54  TYR   A HD2  
2443 H HE1  . TYR   B 42  ? 0.457965 0.511837 0.878134 0.029632    -0.0780841  -0.0143863  54  TYR   A HE1  
2444 H HE2  . TYR   B 42  ? 0.443748 0.591446 0.902624 0.0340359   -0.137412   -0.0504233  54  TYR   A HE2  
2446 N N    . VAL   B 43  ? 0.323775 0.345936 0.588672 -0.0562257  -0.0208469  -0.0445535  55  VAL   A N    
2447 C CA   . VAL   B 43  ? 0.329635 0.332519 0.573783 -0.0705327  -5.048e-05  -0.0476926  55  VAL   A CA   
2448 C C    . VAL   B 43  ? 0.340962 0.354629 0.608211 -0.0771195  -0.00632717 -0.0613612  55  VAL   A C    
2449 O O    . VAL   B 43  ? 0.354514 0.390175 0.63734  -0.0692275  -0.0321947  -0.0688567  55  VAL   A O    
2450 C CB   . VAL   B 43  ? 0.350256 0.332403 0.532941 -0.0706345  -0.00026952 -0.0337082  55  VAL   A CB   
2451 C CG1  . VAL   B 43  ? 0.329202 0.298481 0.491495 -0.0670179  0.00409672  -0.0223006  55  VAL   A CG1  
2452 C CG2  . VAL   B 43  ? 0.334352 0.328295 0.495089 -0.062664   -0.0239475  -0.0299272  55  VAL   A CG2  
2453 H H    . VAL   B 43  ? 0.321086 0.356264 0.584762 -0.049527   -0.039448   -0.0444924  55  VAL   A H    
2454 H HA   . VAL   B 43  ? 0.338034 0.333486 0.594068 -0.0756238  0.018937    -0.0503825  55  VAL   A HA   
2455 H HB   . VAL   B 43  ? 0.344726 0.313179 0.514811 -0.0784385  0.0134102   -0.0354303  55  VAL   A HB   
2456 H HG11 . VAL   B 43  ? 0.334169 0.313101 0.505336 -0.0591164  -0.00893573 -0.0172515  55  VAL   A HG11 
2457 H HG12 . VAL   B 43  ? 0.340644 0.302822 0.515176 -0.0701662  0.0187196   -0.027145   55  VAL   A HG12 
2458 H HG13 . VAL   B 43  ? 0.336634 0.294988 0.46601  -0.0689927  0.00517004  -0.0157087  55  VAL   A HG13 
2459 H HG21 . VAL   B 43  ? 0.338068 0.323039 0.466125 -0.0615136  -0.0235034  -0.0200122  55  VAL   A HG21 
2460 H HG22 . VAL   B 43  ? 0.340902 0.336212 0.506252 -0.0663261  -0.0253158  -0.0385906  55  VAL   A HG22 
2461 H HG23 . VAL   B 43  ? 0.337891 0.347162 0.512686 -0.0541977  -0.0380862  -0.029046   55  VAL   A HG23 
2462 N N    . HIS   B 44  ? 0.379864 0.375228 0.645987 -0.0909528  0.0169323   -0.0643805  56  HIS   A N    
2463 C CA   . HIS   B 44  ? 0.369274 0.358639 0.636895 -0.0986334  0.0133383   -0.0723801  56  HIS   A CA   
2464 C C    . HIS   B 44  ? 0.365028 0.325044 0.570045 -0.0988925  0.020305    -0.0594264  56  HIS   A C    
2465 O O    . HIS   B 44  ? 0.359756 0.302719 0.534596 -0.0995678  0.037294    -0.0477877  56  HIS   A O    
2466 C CB   . HIS   B 44  ? 0.401175 0.391343 0.724747 -0.114275   0.0344903   -0.0837327  56  HIS   A CB   
2467 C CG   . HIS   B 44  ? 0.406841 0.431835 0.797168 -0.113743   0.0144166   -0.103134   56  HIS   A CG   
2468 N ND1  . HIS   B 44  ? 0.421937 0.45958  0.811752 -0.107507   -0.018461   -0.115843   56  HIS   A ND1  
2469 C CD2  . HIS   B 44  ? 0.388297 0.440062 0.843446 -0.115762   0.0184784   -0.113417   56  HIS   A CD2  
2470 C CE1  . HIS   B 44  ? 0.430834 0.501572 0.885661 -0.107292   -0.0350447  -0.134676   56  HIS   A CE1  
2471 N NE2  . HIS   B 44  ? 0.412085 0.492703 0.911681 -0.113198   -0.0122674  -0.133122   56  HIS   A NE2  
2472 H H    . HIS   B 44  ? 0.372337 0.356648 0.635698 -0.0951111  0.0364238   -0.0609827  56  HIS   A H    
2473 H HA   . HIS   B 44  ? 0.371523 0.376811 0.645877 -0.0920156  -0.00923956 -0.0791553  56  HIS   A HA   
2474 H HB2  . HIS   B 44  ? 0.401697 0.386746 0.729483 -0.117291   0.0554598   -0.0786101  56  HIS   A HB2  
2475 H HB3  . HIS   B 44  ? 0.410406 0.382789 0.722259 -0.121374   0.0412387   -0.0832266  56  HIS   A HB3  
2477 H HD2  . HIS   B 44  ? 0.398264 0.449732 0.869355 -0.119076   0.0397889   -0.11001    56  HIS   A HD2  
2478 H HE1  . HIS   B 44  ? 0.42843  0.514414 0.895692 -0.102711   -0.0594614  -0.148207   56  HIS   A HE1  
2480 N N    . TYR   B 45  ? 0.349669 0.305371 0.535896 -0.0963938  0.00542768  -0.0634349  57  TYR   A N    
2481 C CA   . TYR   B 45  ? 0.353647 0.284419 0.486461 -0.0943413  0.0107688   -0.0521539  57  TYR   A CA   
2482 C C    . TYR   B 45  ? 0.37627  0.295485 0.510231 -0.0961043  0.00339266  -0.062882   57  TYR   A C    
2483 O O    . TYR   B 45  ? 0.365589 0.300299 0.528928 -0.0949294  -0.0148597  -0.0804741  57  TYR   A O    
2484 C CB   . TYR   B 45  ? 0.348444 0.287524 0.438237 -0.0813726  -0.00329045 -0.0402281  57  TYR   A CB   
2485 C CG   . TYR   B 45  ? 0.307295 0.267563 0.39274  -0.0697712  -0.0292706  -0.0474771  57  TYR   A CG   
2486 C CD1  . TYR   B 45  ? 0.349292 0.336551 0.457992 -0.0624128  -0.0466369  -0.0521576  57  TYR   A CD1  
2487 C CD2  . TYR   B 45  ? 0.327077 0.280892 0.384776 -0.0637085  -0.0368559  -0.0508623  57  TYR   A CD2  
2488 C CE1  . TYR   B 45  ? 0.339952 0.346921 0.438878 -0.0494842  -0.0709049  -0.0603265  57  TYR   A CE1  
2489 C CE2  . TYR   B 45  ? 0.339215 0.312894 0.388701 -0.0510288  -0.0590643  -0.0606393  57  TYR   A CE2  
2490 C CZ   . TYR   B 45  ? 0.362757 0.363639 0.429514 -0.0435952  -0.0763815  -0.0648932  57  TYR   A CZ   
2491 O OH   . TYR   B 45  ? 0.350144 0.369608 0.397797 -0.0283517  -0.0979626  -0.0740869  57  TYR   A OH   
2492 H H    . TYR   B 45  ? 0.354273 0.323684 0.562147 -0.0947709  -0.00934301 -0.0747519  57  TYR   A H    
2493 H HA   . TYR   B 45  ? 0.365027 0.278799 0.489041 -0.100141   0.0300855   -0.0450128  57  TYR   A HA   
2494 H HB2  . TYR   B 45  ? 0.342678 0.266208 0.402504 -0.0811285  0.00346202  -0.032569   57  TYR   A HB2  
2495 H HB3  . TYR   B 45  ? 0.329308 0.275438 0.424605 -0.0802513  -0.00142535 -0.0354062  57  TYR   A HB3  
2496 H HD1  . TYR   B 45  ? 0.327459 0.319683 0.459125 -0.0650272  -0.0423307  -0.0511429  57  TYR   A HD1  
2497 H HD2  . TYR   B 45  ? 0.333404 0.268475 0.37577  -0.0667964  -0.0266273  -0.0469929  57  TYR   A HD2  
2498 H HE1  . TYR   B 45  ? 0.34631  0.371058 0.456913 -0.0426461  -0.0836223  -0.0618113  57  TYR   A HE1  
2499 H HE2  . TYR   B 45  ? 0.353119 0.321901 0.38309  -0.0457729  -0.0625959  -0.0641862  57  TYR   A HE2  
2501 N N    . LYS   B 46  ? 0.400625 0.291328 0.49653  -0.0959932  0.0146488   -0.0525806  58  LYS   A N    
2502 C CA   . LYS   B 46  ? 0.419109 0.293163 0.502653 -0.092624   0.00688021  -0.0593966  58  LYS   A CA   
2503 C C    . LYS   B 46  ? 0.448994 0.316718 0.4776   -0.0797781  0.00351334  -0.0455551  58  LYS   A C    
2504 O O    . LYS   B 46  ? 0.44245  0.303423 0.445027 -0.079315   0.0146405   -0.0300953  58  LYS   A O    
2505 C CB   . LYS   B 46  ? 0.47559  0.312281 0.569708 -0.104229   0.0276647   -0.0571728  58  LYS   A CB   
2506 C CG   . LYS   B 46  ? 0.503893 0.338576 0.64968  -0.12101    0.045027    -0.0619546  58  LYS   A CG   
2507 C CD   . LYS   B 46  ? 0.515988 0.311124 0.677709 -0.134085   0.0677301   -0.057505   58  LYS   A CD   
2508 C CE   . LYS   B 46  ? 0.566281 0.368671 0.78915  -0.152347   0.0880889   -0.0617907  58  LYS   A CE   
2509 N NZ   . LYS   B 46  ? 0.568577 0.331099 0.810007 -0.166402   0.112337    -0.0545475  58  LYS   A NZ   
2510 H H    . LYS   B 46  ? 0.399608 0.280108 0.475912 -0.0968917  0.0272142   -0.0412646  58  LYS   A H    
2511 H HA   . LYS   B 46  ? 0.426432 0.31602  0.525761 -0.0889657  -0.0101293  -0.0733074  58  LYS   A HA   
2512 H HB2  . LYS   B 46  ? 0.481857 0.301562 0.544164 -0.102054   0.0394829   -0.0424564  58  LYS   A HB2  
2513 H HB3  . LYS   B 46  ? 0.486139 0.314273 0.581143 -0.101318   0.0181757   -0.0661906  58  LYS   A HB3  
2514 H HG2  . LYS   B 46  ? 0.483759 0.339687 0.663699 -0.122455   0.0308094   -0.0775139  58  LYS   A HG2  
2515 H HG3  . LYS   B 46  ? 0.484746 0.325287 0.626551 -0.122664   0.0569555   -0.0529788  58  LYS   A HG3  
2516 H HD2  . LYS   B 46  ? 0.545392 0.318699 0.670017 -0.130979   0.0814318   -0.04072    58  LYS   A HD2  
2517 H HD3  . LYS   B 46  ? 0.543055 0.329995 0.713074 -0.1329     0.0554976   -0.0685264  58  LYS   A HD3  
2518 H HE2  . LYS   B 46  ? 0.53264  0.359257 0.794561 -0.154609   0.0722469   -0.0793292  58  LYS   A HE2  
2519 H HE3  . LYS   B 46  ? 0.538783 0.348046 0.752141 -0.152305   0.101781    -0.0518279  58  LYS   A HE3  
2520 H HZ1  . LYS   B 46  ? 0.588879 0.342006 0.838977 -0.166001   0.0991699   -0.0648216  58  LYS   A HZ1  
2521 H HZ2  . LYS   B 46  ? 0.595798 0.335821 0.798628 -0.162954   0.127187    -0.0368044  58  LYS   A HZ2  
2522 H HZ3  . LYS   B 46  ? 0.584448 0.353406 0.86846  -0.178696   0.126224    -0.0573348  58  LYS   A HZ3  
2523 N N    . GLY   B 47  ? 0.415345 0.290345 0.428389 -0.067855   -0.0139672  -0.0536116  59  GLY   A N    
2524 C CA   . GLY   B 47  ? 0.424187 0.301471 0.394394 -0.0547987  -0.0176324  -0.042172   59  GLY   A CA   
2525 C C    . GLY   B 47  ? 0.415466 0.277093 0.372321 -0.0447981  -0.0240884  -0.051392   59  GLY   A C    
2526 O O    . GLY   B 47  ? 0.442564 0.299294 0.42158  -0.0456211  -0.0326427  -0.0708467  59  GLY   A O    
2527 H H    . GLY   B 47  ? 0.431768 0.311975 0.462677 -0.0673213  -0.0239703  -0.0678247  59  GLY   A H    
2528 H HA2  . GLY   B 47  ? 0.41463  0.280704 0.370793 -0.057502   -0.00661813 -0.0297804  59  GLY   A HA2  
2529 H HA3  . GLY   B 47  ? 0.399844 0.300815 0.364443 -0.0487725  -0.0269192  -0.0408267  59  GLY   A HA3  
2530 N N    . LYS   B 48  ? 0.388453 0.242422 0.311953 -0.0343659  -0.0213938  -0.0394432  60  LYS   A N    
2531 C CA   . LYS   B 48  ? 0.426986 0.266607 0.33779  -0.0214326  -0.0270372  -0.0475583  60  LYS   A CA   
2532 C C    . LYS   B 48  ? 0.439274 0.293406 0.318625 -0.00605678 -0.0294019  -0.0354979  60  LYS   A C    
2533 O O    . LYS   B 48  ? 0.419339 0.284356 0.288123 -0.00948005 -0.0245211  -0.0192968  60  LYS   A O    
2534 C CB   . LYS   B 48  ? 0.473828 0.267118 0.392983 -0.0274279  -0.016014   -0.0477316  60  LYS   A CB   
2535 C CG   . LYS   B 48  ? 0.488113 0.256217 0.387762 -0.0324652  0.00163953  -0.0240072  60  LYS   A CG   
2536 C CD   . LYS   B 48  ? 0.579432 0.298513 0.482623 -0.0362943  0.0147496   -0.0191038  60  LYS   A CD   
2537 C CE   . LYS   B 48  ? 0.65516  0.352615 0.531192 -0.0390719  0.0321701   0.00521839  60  LYS   A CE   
2538 N NZ   . LYS   B 48  ? 0.759073 0.405421 0.630294 -0.0362905  0.0427237   0.0136997   60  LYS   A NZ   
2539 H H    . LYS   B 48  ? 0.390323 0.248813 0.301011 -0.0348434  -0.0167181  -0.0271321  60  LYS   A H    
2540 H HA   . LYS   B 48  ? 0.432244 0.284279 0.351394 -0.0169406  -0.037712   -0.0626063  60  LYS   A HA   
2541 H HB2  . LYS   B 48  ? 0.488558 0.27191  0.39998  -0.0167528  -0.0214182  -0.0543014  60  LYS   A HB2  
2542 H HB3  . LYS   B 48  ? 0.475666 0.262997 0.421789 -0.0379458  -0.0148449  -0.0575869  60  LYS   A HB3  
2543 H HG2  . LYS   B 48  ? 0.484293 0.260878 0.391913 -0.0425877  0.00809343  -0.019588   60  LYS   A HG2  
2544 H HG3  . LYS   B 48  ? 0.49346  0.27031  0.369371 -0.022136   -0.00204914 -0.0158055  60  LYS   A HG3  
2545 H HD2  . LYS   B 48  ? 0.596486 0.30451  0.490844 -0.0246435  0.00812484  -0.0228689  60  LYS   A HD2  
2546 H HD3  . LYS   B 48  ? 0.585006 0.296569 0.51779  -0.0478224  0.0185574   -0.0284321  60  LYS   A HD3  
2547 H HE2  . LYS   B 48  ? 0.644094 0.344836 0.531986 -0.051307   0.042495    0.0076282   60  LYS   A HE2  
2548 H HE3  . LYS   B 48  ? 0.641712 0.352499 0.492437 -0.0293994  0.0262861   0.0124662   60  LYS   A HE3  
2549 H HZ1  . LYS   B 48  ? 0.748324 0.383391 0.648112 -0.0452623  0.0459298   0.00425607  60  LYS   A HZ1  
2550 H HZ2  . LYS   B 48  ? 0.748237 0.39087  0.605258 -0.022725   0.0334192   0.0130647   60  LYS   A HZ2  
2551 H HZ3  . LYS   B 48  ? 0.758907 0.38796  0.613197 -0.0386028  0.0556151   0.0293498   60  LYS   A HZ3  
2552 N N    . LEU   B 49  ? 0.43061  0.285481 0.300273 0.0106196   -0.037322   -0.0465693  61  LEU   A N    
2553 C CA   . LEU   B 49  ? 0.490636 0.356346 0.338167 0.026549    -0.037846   -0.0365199  61  LEU   A CA   
2554 C C    . LEU   B 49  ? 0.60477  0.432087 0.442925 0.0247245   -0.0294482  -0.0229479  61  LEU   A C    
2555 O O    . LEU   B 49  ? 0.579623 0.367553 0.42652  0.0171561   -0.023017   -0.0257645  61  LEU   A O    
2556 C CB   . LEU   B 49  ? 0.539369 0.416251 0.379529 0.0472288   -0.0458036  -0.0522485  61  LEU   A CB   
2557 C CG   . LEU   B 49  ? 0.568796 0.481223 0.40872  0.0523394   -0.0538166  -0.0661016  61  LEU   A CG   
2558 C CD1  . LEU   B 49  ? 0.660377 0.584575 0.486138 0.0766901   -0.0592549  -0.0835183  61  LEU   A CD1  
2559 C CD2  . LEU   B 49  ? 0.572756 0.521672 0.40985  0.04596     -0.0502451  -0.0468312  61  LEU   A CD2  
2560 H H    . LEU   B 49  ? 0.462171 0.311884 0.341043 0.0125776   -0.0427926  -0.0617664  61  LEU   A H    
2561 H HA   . LEU   B 49  ? 0.477737 0.368401 0.321806 0.0246692   -0.0375183  -0.026951   61  LEU   A HA   
2562 H HB2  . LEU   B 49  ? 0.5634   0.411633 0.408006 0.0494591   -0.046557   -0.062057   61  LEU   A HB2  
2563 H HB3  . LEU   B 49  ? 0.538547 0.426931 0.368615 0.0573832   -0.0449105  -0.0441511  61  LEU   A HB3  
2564 H HG   . LEU   B 49  ? 0.580858 0.482719 0.433058 0.0437502   -0.0575835  -0.0766616  61  LEU   A HG   
2565 H HD11 . LEU   B 49  ? 0.662564 0.558767 0.493294 0.0795344   -0.0621445  -0.0968532  61  LEU   A HD11 
2566 H HD12 . LEU   B 49  ? 0.639191 0.586179 0.459158 0.0810511   -0.0638682  -0.0914231  61  LEU   A HD12 
2567 H HD13 . LEU   B 49  ? 0.636075 0.573015 0.454326 0.0856461   -0.0550013  -0.0737003  61  LEU   A HD13 
2568 H HD21 . LEU   B 49  ? 0.548656 0.49126  0.396109 0.0323574   -0.0492107  -0.0430918  61  LEU   A HD21 
2569 H HD22 . LEU   B 49  ? 0.552968 0.506173 0.385993 0.0478704   -0.045857   -0.0346772  61  LEU   A HD22 
2570 H HD23 . LEU   B 49  ? 0.56087  0.534927 0.39097  0.0540997   -0.0533499  -0.0506099  61  LEU   A HD23 
2571 N N    . SER   B 50  ? 0.587335 0.425243 0.408701 0.0307972   -0.0291889  -0.00721448 62  SER   A N    
2572 C CA   . SER   B 50  ? 0.680395 0.481071 0.48458  0.0321343   -0.0231714  0.00682805  62  SER   A CA   
2573 C C    . SER   B 50  ? 0.718074 0.481201 0.519259 0.0461154   -0.0236791  0.00199214  62  SER   A C    
2574 O O    . SER   B 50  ? 0.916549 0.634683 0.710317 0.0424154   -0.0144189  0.0117367   62  SER   A O    
2575 C CB   . SER   B 50  ? 0.711953 0.534448 0.499254 0.0395946   -0.0286925  0.0201693   62  SER   A CB   
2576 O OG   . SER   B 50  ? 0.701893 0.546449 0.490479 0.059777    -0.0381723  0.0158194   62  SER   A OG   
2577 H H    . SER   B 50  ? 0.584795 0.452127 0.405264 0.0343482   -0.032899   -0.00484686 62  SER   A H    
2578 H HA   . SER   B 50  ? 0.67426  0.458656 0.481138 0.0188469   -0.0149449  0.0104902   62  SER   A HA   
2579 H HB2  . SER   B 50  ? 0.720875 0.519513 0.492091 0.0403018   -0.0255504  0.0298444   62  SER   A HB2  
2580 H HB3  . SER   B 50  ? 0.673855 0.519514 0.467227 0.0306735   -0.029018   0.0211439   62  SER   A HB3  
2582 N N    . ASN   B 51  ? 0.829546 0.61037  0.636027 0.0629208   -0.0328057  -0.0122794  63  ASN   A N    
2583 C CA   . ASN   B 51  ? 0.890958 0.639858 0.701326 0.0777658   -0.0355091  -0.0251376  63  ASN   A CA   
2584 C C    . ASN   B 51  ? 0.932262 0.642315 0.762986 0.0620245   -0.0300498  -0.0374015  63  ASN   A C    
2585 O O    . ASN   B 51  ? 1.07021  0.731359 0.904399 0.0656386   -0.026026   -0.0368559  63  ASN   A O    
2586 C CB   . ASN   B 51  ? 0.75334  0.538236 0.567328 0.0964563   -0.0446284  -0.0443117  63  ASN   A CB   
2587 H H    . ASN   B 51  ? 0.779558 0.595145 0.587479 0.066061    -0.0369828  -0.0144769  63  ASN   A H    
2588 H HA   . ASN   B 51  ? 0.885281 0.613514 0.683869 0.0875428   -0.0349536  -0.0141378  63  ASN   A HA   
2591 N N    . GLY   B 52  ? 1.00173  0.733227 0.850339 0.044847    -0.030565   -0.0485002  64  GLY   A N    
2592 C CA   . GLY   B 52  ? 0.917792 0.621336 0.795577 0.025899    -0.0259503  -0.0601022  64  GLY   A CA   
2593 C C    . GLY   B 52  ? 1.02773  0.736051 0.924049 0.0323014   -0.0399707  -0.0928881  64  GLY   A C    
2594 O O    . GLY   B 52  ? 1.02147  0.696435 0.946711 0.0219707   -0.0398534  -0.108282   64  GLY   A O    
2595 H H    . GLY   B 52  ? 0.92338  0.689492 0.768448 0.0450602   -0.0342243  -0.0485235  64  GLY   A H    
2596 H HA2  . GLY   B 52  ? 0.937688 0.656881 0.823057 0.0122875   -0.0223327  -0.0559613  64  GLY   A HA2  
2597 H HA3  . GLY   B 52  ? 0.9881   0.653892 0.867293 0.0226196   -0.0171524  -0.0509763  64  GLY   A HA3  
2598 N N    . LYS   B 53  ? 0.979643 0.730248 0.859268 0.0496604   -0.0514961  -0.103908   65  LYS   A N    
2599 C CA   . LYS   B 53  ? 0.931371 0.689212 0.814186 0.0640289   -0.0656926  -0.136296   65  LYS   A CA   
2600 C C    . LYS   B 53  ? 0.840623 0.626474 0.738979 0.0527191   -0.0769456  -0.155362   65  LYS   A C    
2601 O O    . LYS   B 53  ? 0.804057 0.585245 0.714476 0.0570787   -0.0910488  -0.187087   65  LYS   A O    
2602 C CB   . LYS   B 53  ? 0.883722 0.66985  0.737461 0.091431    -0.0675838  -0.134596   65  LYS   A CB   
2603 H H    . LYS   B 53  ? 0.943772 0.72028  0.809047 0.0527466   -0.0498163  -0.0910313  65  LYS   A H    
2604 H HA   . LYS   B 53  ? 0.952275 0.673458 0.848121 0.0640379   -0.065973   -0.146326   65  LYS   A HA   
2607 N N    . LYS   B 54  ? 0.647031 0.459962 0.546922 0.0387369   -0.0724628  -0.137261   66  LYS   A N    
2608 C CA   . LYS   B 54  ? 0.620159 0.463141 0.533433 0.0300421   -0.0830718  -0.148179   66  LYS   A CA   
2609 C C    . LYS   B 54  ? 0.647458 0.483557 0.583185 0.0063927   -0.0703978  -0.127522   66  LYS   A C    
2610 O O    . LYS   B 54  ? 0.668872 0.499545 0.589737 0.0036992   -0.0560905  -0.101436   66  LYS   A O    
2611 C CB   . LYS   B 54  ? 0.575619 0.46774  0.457276 0.0449477   -0.087515   -0.140097   66  LYS   A CB   
2612 H H    . LYS   B 54  ? 0.665573 0.477826 0.557306 0.0355911   -0.0628515  -0.116582   66  LYS   A H    
2613 H HA   . LYS   B 54  ? 0.648197 0.482857 0.577219 0.0297378   -0.0937045  -0.171575   66  LYS   A HA   
2616 N N    . PHE   B 55  ? 0.567237 0.407534 0.537732 -0.00816557 -0.0768777  -0.14114    67  PHE   A N    
2617 C CA   . PHE   B 55  ? 0.530823 0.364708 0.531698 -0.0300243  -0.0639509  -0.128132   67  PHE   A CA   
2618 C C    . PHE   B 55  ? 0.488097 0.359421 0.509493 -0.0326817  -0.0795282  -0.140512   67  PHE   A C    
2619 O O    . PHE   B 55  ? 0.548726 0.432879 0.575007 -0.0235913  -0.100618   -0.167128   67  PHE   A O    
2620 C CB   . PHE   B 55  ? 0.581139 0.369823 0.617155 -0.0448906  -0.0537013  -0.135685   67  PHE   A CB   
2621 C CG   . PHE   B 55  ? 0.65684  0.433679 0.720654 -0.0668218  -0.0317408  -0.117734   67  PHE   A CG   
2622 C CD1  . PHE   B 55  ? 0.693348 0.487451 0.807694 -0.0828979  -0.0341723  -0.130454   67  PHE   A CD1  
2623 C CD2  . PHE   B 55  ? 0.7632   0.511928 0.80324  -0.0697718  -0.00836797 -0.0894593  67  PHE   A CD2  
2624 C CE1  . PHE   B 55  ? 0.726157 0.512327 0.867495 -0.101477   -0.0101244  -0.1145     67  PHE   A CE1  
2625 C CE2  . PHE   B 55  ? 0.785523 0.522822 0.8453   -0.0876829  0.0147843   -0.0738936  67  PHE   A CE2  
2626 C CZ   . PHE   B 55  ? 0.757789 0.514586 0.869004 -0.103683   0.0157528   -0.0862164  67  PHE   A CZ   
2627 H H    . PHE   B 55  ? 0.590811 0.440521 0.567508 -0.00300773 -0.0909431  -0.161655   67  PHE   A H    
2628 H HA   . PHE   B 55  ? 0.518069 0.352569 0.50186  -0.0310454  -0.0523167  -0.106973   67  PHE   A HA   
2629 H HB2  . PHE   B 55  ? 0.610667 0.375685 0.628252 -0.0378073  -0.0481969  -0.129763   67  PHE   A HB2  
2630 H HB3  . PHE   B 55  ? 0.607677 0.397758 0.667576 -0.0463639  -0.0665828  -0.158811   67  PHE   A HB3  
2631 H HD1  . PHE   B 55  ? 0.689379 0.503756 0.818584 -0.0796303  -0.0524206  -0.15005    67  PHE   A HD1  
2632 H HD2  . PHE   B 55  ? 0.749291 0.48752  0.758749 -0.0582543  -0.00833583 -0.0814114  67  PHE   A HD2  
2633 H HE1  . PHE   B 55  ? 0.714612 0.515947 0.894248 -0.111378   -0.0115896  -0.123782   67  PHE   A HE1  
2634 H HE2  . PHE   B 55  ? 0.783885 0.502828 0.821026 -0.0874577  0.0295937   -0.0552028  67  PHE   A HE2  
2635 H HZ   . PHE   B 55  ? 0.753924 0.505247 0.87944  -0.11484    0.0335543   -0.075978   67  PHE   A HZ   
2636 N N    . ASP   B 56  ? 0.453166 0.34023  0.483982 -0.0421567  -0.0711093  -0.123471   68  ASP   A N    
2637 C CA   . ASP   B 56  ? 0.435296 0.357678 0.483982 -0.0418406  -0.0854062  -0.129781   68  ASP   A CA   
2638 C C    . ASP   B 56  ? 0.450621 0.370107 0.5395   -0.0608363  -0.0700802  -0.120622   68  ASP   A C    
2639 O O    . ASP   B 56  ? 0.450776 0.355187 0.527019 -0.0671808  -0.0489186  -0.0990762  68  ASP   A O    
2640 C CB   . ASP   B 56  ? 0.433947 0.384707 0.441185 -0.0264138  -0.0900382  -0.112588   68  ASP   A CB   
2641 C CG   . ASP   B 56  ? 0.417744 0.401353 0.436463 -0.0231988  -0.103034   -0.110881   68  ASP   A CG   
2642 O OD1  . ASP   B 56  ? 0.445404 0.443363 0.489943 -0.0212268  -0.122999   -0.133901   68  ASP   A OD1  
2643 O OD2  . ASP   B 56  ? 0.44225  0.437315 0.442304 -0.0200846  -0.0963273  -0.0882606  68  ASP   A OD2  
2644 H H    . ASP   B 56  ? 0.447971 0.322059 0.472883 -0.0480441  -0.0557683  -0.106804   68  ASP   A H    
2645 H HA   . ASP   B 56  ? 0.459414 0.388792 0.52277  -0.0387936  -0.101389   -0.151146   68  ASP   A HA   
2646 H HB2  . ASP   B 56  ? 0.442283 0.397935 0.425452 -0.0135987  -0.0981289  -0.119283   68  ASP   A HB2  
2647 H HB3  . ASP   B 56  ? 0.417752 0.36006  0.412034 -0.0296417  -0.0758049  -0.0943658  68  ASP   A HB3  
2648 N N    . SER   B 57  ? 0.47825  0.416356 0.615022 -0.0679118  -0.0815334  -0.137747   69  SER   A N    
2649 C CA   . SER   B 57  ? 0.503351 0.448128 0.676235 -0.0814567  -0.0660388  -0.127322   69  SER   A CA   
2650 C C    . SER   B 57  ? 0.443839 0.4262   0.656893 -0.0786925  -0.0866321  -0.141401   69  SER   A C    
2651 O O    . SER   B 57  ? 0.441422 0.438292 0.68148  -0.0761119  -0.110614   -0.167844   69  SER   A O    
2652 C CB   . SER   B 57  ? 0.54788  0.464604 0.758465 -0.101774   -0.0410567  -0.126619   69  SER   A CB   
2653 O OG   . SER   B 57  ? 0.572037 0.485671 0.826096 -0.109007   -0.0536111  -0.152861   69  SER   A OG   
2654 H H    . SER   B 57  ? 0.491807 0.439621 0.639731 -0.0635324  -0.0991064  -0.156806   69  SER   A H    
2655 H HA   . SER   B 57  ? 0.475375 0.419691 0.620528 -0.077888   -0.0566221  -0.108822   69  SER   A HA   
2656 H HB2  . SER   B 57  ? 0.528385 0.453642 0.762338 -0.108852   -0.0302177  -0.120954   69  SER   A HB2  
2657 H HB3  . SER   B 57  ? 0.547283 0.439418 0.729336 -0.102186   -0.0269064  -0.113761   69  SER   A HB3  
2659 N N    . SER   B 58  ? 0.43711  0.43148  0.656228 -0.0795701  -0.0760618  -0.12454    70  SER   A N    
2660 C CA   . SER   B 58  ? 0.450491 0.477664 0.713408 -0.0768075  -0.0901694  -0.132621   70  SER   A CA   
2661 C C    . SER   B 58  ? 0.451767 0.484656 0.788485 -0.0933562  -0.0876759  -0.15441    70  SER   A C    
2662 O O    . SER   B 58  ? 0.465687 0.530897 0.847637 -0.0893515  -0.111058   -0.172969   70  SER   A O    
2663 C CB   . SER   B 58  ? 0.408395 0.437675 0.665458 -0.0757487  -0.0738097  -0.110773   70  SER   A CB   
2664 O OG   . SER   B 58  ? 0.449277 0.455192 0.72072  -0.0922471  -0.040534   -0.102933   70  SER   A OG   
2665 H H    . SER   B 58  ? 0.431541 0.412629 0.626966 -0.0809802  -0.0601476  -0.108066   70  SER   A H    
2666 H HA   . SER   B 58  ? 0.446918 0.491861 0.696028 -0.0635529  -0.113249   -0.139066   70  SER   A HA   
2667 H HB2  . SER   B 58  ? 0.419688 0.470619 0.705267 -0.0713024  -0.0845938  -0.115557   70  SER   A HB2  
2668 H HB3  . SER   B 58  ? 0.419353 0.444596 0.633997 -0.0669986  -0.0754003  -0.0972443  70  SER   A HB3  
2670 N N    . HIS   B 59  ? 0.449097 0.452011 0.802092 -0.111906   -0.0592494  -0.151483   71  HIS   A N    
2671 C CA   . HIS   B 59  ? 0.496788 0.503623 0.927358 -0.13096    -0.0528468  -0.170825   71  HIS   A CA   
2672 C C    . HIS   B 59  ? 0.554437 0.57068  1.0081   -0.128902   -0.0862323  -0.202265   71  HIS   A C    
2673 O O    . HIS   B 59  ? 0.568445 0.609398 1.09462  -0.137857   -0.0993877  -0.22614    71  HIS   A O    
2674 C CB   . HIS   B 59  ? 0.527161 0.494397 0.961395 -0.149949   -0.0125115  -0.155898   71  HIS   A CB   
2675 C CG   . HIS   B 59  ? 0.582098 0.546298 1.00448  -0.152151   0.0189151   -0.132365   71  HIS   A CG   
2676 N ND1  . HIS   B 59  ? 0.589439 0.584638 1.06787  -0.155911   0.0258107   -0.13713    71  HIS   A ND1  
2677 C CD2  . HIS   B 59  ? 0.599985 0.537382 0.962061 -0.148581   0.0416689   -0.107597   71  HIS   A CD2  
2678 C CE1  . HIS   B 59  ? 0.581377 0.565971 1.03189  -0.154658   0.0540467   -0.116705   71  HIS   A CE1  
2679 N NE2  . HIS   B 59  ? 0.578746 0.528293 0.957348 -0.150567   0.0625272   -0.0992495  71  HIS   A NE2  
2680 H H    . HIS   B 59  ? 0.460425 0.440722 0.778051 -0.112833   -0.0432831  -0.136597   71  HIS   A H    
2681 H HA   . HIS   B 59  ? 0.48901  0.519891 0.956483 -0.131752   -0.0532957  -0.173348   71  HIS   A HA   
2682 H HB2  . HIS   B 59  ? 0.547405 0.489766 0.939114 -0.146341   -0.0115376  -0.149643   71  HIS   A HB2  
2683 H HB3  . HIS   B 59  ? 0.550526 0.518057 1.03761  -0.16368    -0.0082429  -0.168701   71  HIS   A HB3  
2685 H HD2  . HIS   B 59  ? 0.599923 0.515407 0.918058 -0.144512   0.0423036   -0.0990744  71  HIS   A HD2  
2686 H HE1  . HIS   B 59  ? 0.57362  0.573405 1.05122  -0.155563   0.0654616   -0.116103   71  HIS   A HE1  
2688 N N    . ASP   B 60  ? 0.631159 0.63102  1.02671  -0.115963   -0.101711   -0.205524   72  ASP   A N    
2689 C CA   . ASP   B 60  ? 0.669332 0.678382 1.08028  -0.110476   -0.135924   -0.239931   72  ASP   A CA   
2690 C C    . ASP   B 60  ? 0.652387 0.710077 1.07271  -0.0930601  -0.172901   -0.255606   72  ASP   A C    
2691 O O    . ASP   B 60  ? 0.817318 0.890546 1.25324  -0.0863781  -0.206231   -0.288036   72  ASP   A O    
2692 C CB   . ASP   B 60  ? 0.671852 0.649682 1.02519  -0.100671   -0.140055   -0.243309   72  ASP   A CB   
2693 H H    . ASP   B 60  ? 0.610557 0.594462 0.958167 -0.110011   -0.0912462  -0.187993   72  ASP   A H    
2694 H HA   . ASP   B 60  ? 0.671488 0.674302 1.13644  -0.12671    -0.131261   -0.253891   72  ASP   A HA   
2697 N N    . ARG   B 61  ? 0.603004 0.684117 1.01963  -0.0854221  -0.16923    -0.235634   73  ARG   A N    
2698 C CA   . ARG   B 61  ? 0.583387 0.708614 1.01411  -0.0678966  -0.202879   -0.246158   73  ARG   A CA   
2699 C C    . ARG   B 61  ? 0.564773 0.715217 1.07575  -0.0792487  -0.195415   -0.248113   73  ARG   A C    
2700 O O    . ARG   B 61  ? 0.501143 0.689692 1.03457  -0.0642913  -0.223526   -0.25647    73  ARG   A O    
2701 C CB   . ARG   B 61  ? 0.597282 0.727379 0.948314 -0.0432991  -0.208771   -0.219561   73  ARG   A CB   
2702 C CG   . ARG   B 61  ? 0.674948 0.802776 0.96184  -0.0246781  -0.231304   -0.230092   73  ARG   A CG   
2703 C CD   . ARG   B 61  ? 0.614734 0.728636 0.819203 -0.0102305  -0.21884    -0.201136   73  ARG   A CD   
2704 N NE   . ARG   B 61  ? 0.621289 0.70701  0.810157 -0.0229126  -0.181331   -0.17072    73  ARG   A NE   
2705 C CZ   . ARG   B 61  ? 0.601013 0.658134 0.751436 -0.0263628  -0.161994   -0.160855   73  ARG   A CZ   
2706 N NH1  . ARG   B 61  ? 0.667275 0.71282  0.801469 -0.0226642  -0.170319   -0.18029    73  ARG   A NH1  
2707 N NH2  . ARG   B 61  ? 0.610571 0.649525 0.743626 -0.0336294  -0.134757   -0.133767   73  ARG   A NH2  
2708 H H    . ARG   B 61  ? 0.58757  0.655066 0.988555 -0.0895642  -0.145543   -0.213852   73  ARG   A H    
2709 H HA   . ARG   B 61  ? 0.613326 0.749629 1.05393  -0.0631451  -0.228687   -0.271259   73  ARG   A HA   
2710 H HB2  . ARG   B 61  ? 0.587378 0.697928 0.916558 -0.0485847  -0.183385   -0.197219   73  ARG   A HB2  
2711 H HB3  . ARG   B 61  ? 0.600472 0.75496  0.964483 -0.0335505  -0.222454   -0.217466   73  ARG   A HB3  
2712 H HG2  . ARG   B 61  ? 0.665931 0.819284 0.956292 -0.0114109  -0.259246   -0.244288   73  ARG   A HG2  
2713 H HG3  . ARG   B 61  ? 0.660303 0.772911 0.960592 -0.0341063  -0.230149   -0.247475   73  ARG   A HG3  
2714 H HD2  . ARG   B 61  ? 0.639668 0.772874 0.823539 0.00502728  -0.231788   -0.19192    73  ARG   A HD2  
2715 H HD3  . ARG   B 61  ? 0.654063 0.761317 0.831666 -0.00415306 -0.226519   -0.21336    73  ARG   A HD3  
2716 H HE   . ARG   B 61  ? 0.593391 0.681994 0.799767 -0.0275147  -0.171971   -0.158914   73  ARG   A HE   
2717 H HH11 . ARG   B 61  ? 0.665294 0.708813 0.830137 -0.0287285  -0.178875   -0.201183   73  ARG   A HH11 
2718 H HH12 . ARG   B 61  ? 0.658156 0.697934 0.753017 -0.0140257  -0.167255   -0.173273   73  ARG   A HH12 
2719 H HH21 . ARG   B 61  ? 0.585951 0.630669 0.728111 -0.0353793  -0.128876   -0.121699   73  ARG   A HH21 
2720 H HH22 . ARG   B 61  ? 0.600314 0.62133  0.712748 -0.0359607  -0.123425   -0.128661   73  ARG   A HH22 
2721 N N    . ASN   B 62  ? 0.537907 0.66725  1.08759  -0.103044   -0.156332   -0.238393   74  ASN   A N    
2722 C CA   . ASN   B 62  ? 0.493885 0.643043 1.11791  -0.115623   -0.136718   -0.23656    74  ASN   A CA   
2723 C C    . ASN   B 62  ? 0.447204 0.625294 1.06482  -0.0955911  -0.147059   -0.223196   74  ASN   A C    
2724 O O    . ASN   B 62  ? 0.443391 0.657431 1.13101  -0.0947496  -0.155869   -0.235168   74  ASN   A O    
2725 C CB   . ASN   B 62  ? 0.519161 0.689929 1.2397   -0.133435   -0.148133   -0.270307   74  ASN   A CB   
2726 C CG   . ASN   B 62  ? 0.473265 0.652103 1.27522  -0.155713   -0.111039   -0.266384   74  ASN   A CG   
2727 O OD1  . ASN   B 62  ? 0.498473 0.644923 1.27949  -0.167795   -0.0668169  -0.241665   74  ASN   A OD1  
2728 N ND2  . ASN   B 62  ? 0.442289 0.666798 1.33556  -0.159294   -0.127626   -0.289725   74  ASN   A ND2  
2729 H H    . ASN   B 62  ? 0.53966  0.640054 1.06668  -0.111111   -0.139605   -0.232207   74  ASN   A H    
2730 H HA   . ASN   B 62  ? 0.489562 0.614097 1.10513  -0.12717    -0.104199   -0.220426   74  ASN   A HA   
2731 H HB2  . ASN   B 62  ? 0.523612 0.672888 1.23671  -0.141676   -0.148998   -0.279718   74  ASN   A HB2  
2732 H HB3  . ASN   B 62  ? 0.511997 0.71407  1.25153  -0.121528   -0.180573   -0.287243   74  ASN   A HB3  
2733 H HD21 . ASN   B 62  ? 0.441823 0.681133 1.37158  -0.162661   -0.110358   -0.28364    74  ASN   A HD21 
2734 H HD22 . ASN   B 62  ? 0.463888 0.705587 1.38332  -0.157689   -0.156661   -0.312658   74  ASN   A HD22 
2735 N N    . GLU   B 63  ? 0.439702 0.602365 0.977642 -0.0788499  -0.146697   -0.198411   75  GLU   A N    
2736 C CA   . GLU   B 63  ? 0.43431  0.612863 0.964215 -0.0619019  -0.149934   -0.180775   75  GLU   A CA   
2737 C C    . GLU   B 63  ? 0.39706  0.542075 0.852667 -0.0582408  -0.126892   -0.149811   75  GLU   A C    
2738 O O    . GLU   B 63  ? 0.324327 0.443725 0.724573 -0.0607407  -0.121805   -0.143339   75  GLU   A O    
2739 C CB   . GLU   B 63  ? 0.533498 0.745115 1.05548  -0.0359966  -0.194436   -0.187573   75  GLU   A CB   
2740 C CG   . GLU   B 63  ? 0.57129  0.770228 1.00363  -0.017485   -0.210895   -0.17305    75  GLU   A CG   
2741 C CD   . GLU   B 63  ? 0.717732 0.948621 1.13409  0.0108068   -0.254014   -0.177243   75  GLU   A CD   
2742 O OE1  . GLU   B 63  ? 0.718154 0.983855 1.19872  0.0155701   -0.278561   -0.198891   75  GLU   A OE1  
2743 O OE2  . GLU   B 63  ? 0.781908 1.00471  1.12307  0.0286839   -0.262834   -0.158685   75  GLU   A OE2  
2744 H H    . GLU   B 63  ? 0.446112 0.587204 0.936468 -0.0781495  -0.143678   -0.192082   75  GLU   A H    
2745 H HA   . GLU   B 63  ? 0.433608 0.62272  1.01467  -0.0693434  -0.136087   -0.183563   75  GLU   A HA   
2746 H HB2  . GLU   B 63  ? 0.511018 0.735078 1.05134  -0.0278424  -0.194426   -0.179196   75  GLU   A HB2  
2747 H HB3  . GLU   B 63  ? 0.528246 0.760206 1.08998  -0.0379284  -0.213899   -0.210865   75  GLU   A HB3  
2748 H HG2  . GLU   B 63  ? 0.596226 0.782496 1.0102   -0.0241885  -0.210183   -0.182178   75  GLU   A HG2  
2749 H HG3  . GLU   B 63  ? 0.577624 0.758283 0.97595  -0.0163864  -0.192745   -0.150442   75  GLU   A HG3  
2750 N N    . PRO   B 64  ? 0.358873 0.504025 0.817448 -0.0521764  -0.11325    -0.132561   76  PRO   A N    
2751 C CA   . PRO   B 64  ? 0.361382 0.475699 0.758201 -0.0505939  -0.0931219  -0.106831   76  PRO   A CA   
2752 C C    . PRO   B 64  ? 0.347169 0.456876 0.677077 -0.0346254  -0.113838   -0.0924443  76  PRO   A C    
2753 O O    . PRO   B 64  ? 0.35929  0.492134 0.688347 -0.0177571  -0.143656   -0.095698   76  PRO   A O    
2754 C CB   . PRO   B 64  ? 0.368773 0.487268 0.793508 -0.045439   -0.0803059  -0.0981076  76  PRO   A CB   
2755 C CG   . PRO   B 64  ? 0.384019 0.533439 0.893404 -0.0500263  -0.0810327  -0.119543   76  PRO   A CG   
2756 C CD   . PRO   B 64  ? 0.386762 0.560231 0.914099 -0.0478996  -0.114573   -0.139802   76  PRO   A CD   
2757 H HA   . PRO   B 64  ? 0.355033 0.449221 0.741008 -0.0636629  -0.0724067  -0.105693   76  PRO   A HA   
2758 H HB2  . PRO   B 64  ? 0.372492 0.495753 0.780593 -0.0309884  -0.0956603  -0.0881656  76  PRO   A HB2  
2759 H HB3  . PRO   B 64  ? 0.365091 0.462321 0.772614 -0.0531217  -0.0564197  -0.089697   76  PRO   A HB3  
2760 H HG2  . PRO   B 64  ? 0.378831 0.541757 0.911384 -0.039123   -0.086745   -0.117521   76  PRO   A HG2  
2761 H HG3  . PRO   B 64  ? 0.376106 0.516866 0.904573 -0.0643505  -0.0556231  -0.123141   76  PRO   A HG3  
2762 H HD2  . PRO   B 64  ? 0.387285 0.580199 0.917023 -0.0316956  -0.140536   -0.140663   76  PRO   A HD2  
2763 H HD3  . PRO   B 64  ? 0.38095  0.566821 0.959998 -0.0593998  -0.109198   -0.155836   76  PRO   A HD3  
2764 N N    . PHE   B 65  ? 0.303295 0.384786 0.578576 -0.038894   -0.0963146  -0.0750002  77  PHE   A N    
2765 C CA   . PHE   B 65  ? 0.338147 0.415757 0.554415 -0.0256632  -0.10775    -0.0570613  77  PHE   A CA   
2766 C C    . PHE   B 65  ? 0.343471 0.413864 0.555052 -0.0195359  -0.100418   -0.0354663  77  PHE   A C    
2767 O O    . PHE   B 65  ? 0.325066 0.378943 0.551155 -0.0298194  -0.0778527  -0.033039   77  PHE   A O    
2768 C CB   . PHE   B 65  ? 0.353268 0.408467 0.52333  -0.0334853  -0.0940868  -0.0518247  77  PHE   A CB   
2769 C CG   . PHE   B 65  ? 0.333967 0.387663 0.44977  -0.0219773  -0.099231   -0.0315728  77  PHE   A CG   
2770 C CD1  . PHE   B 65  ? 0.403745 0.475905 0.493287 -0.00600602 -0.121254   -0.0333234  77  PHE   A CD1  
2771 C CD2  . PHE   B 65  ? 0.341284 0.378576 0.435927 -0.0258247  -0.0829397  -0.0111549  77  PHE   A CD2  
2772 C CE1  . PHE   B 65  ? 0.457174 0.530907 0.499412 0.00460254  -0.121317   -0.0124673  77  PHE   A CE1  
2773 C CE2  . PHE   B 65  ? 0.369858 0.409447 0.425178 -0.0172277  -0.0857097  0.00835815  77  PHE   A CE2  
2774 C CZ   . PHE   B 65  ? 0.397641 0.455823 0.426696 -0.00223629 -0.10259    0.00920159  77  PHE   A CZ   
2775 H H    . PHE   B 65  ? 0.313107 0.378421 0.589362 -0.0503553  -0.0758595  -0.0740597  77  PHE   A H    
2776 H HA   . PHE   B 65  ? 0.349355 0.444412 0.562061 -0.0143346  -0.129404   -0.062394   77  PHE   A HA   
2777 H HB2  . PHE   B 65  ? 0.348971 0.406425 0.523557 -0.036066   -0.0998815  -0.0661167  77  PHE   A HB2  
2778 H HB3  . PHE   B 65  ? 0.335132 0.37395  0.508789 -0.0439872  -0.0746224  -0.0484907  77  PHE   A HB3  
2779 H HD1  . PHE   B 65  ? 0.408187 0.492155 0.51174  -0.00265659 -0.135283   -0.0499438  77  PHE   A HD1  
2780 H HD2  . PHE   B 65  ? 0.335178 0.360039 0.443326 -0.0348401  -0.0691203  -0.0113872  77  PHE   A HD2  
2781 H HE1  . PHE   B 65  ? 0.450105 0.536799 0.470364 0.0166367   -0.134206   -0.0138882  77  PHE   A HE1  
2782 H HE2  . PHE   B 65  ? 0.362277 0.391266 0.409008 -0.021771   -0.0751912  0.0202646   77  PHE   A HE2  
2783 H HZ   . PHE   B 65  ? 0.412537 0.473792 0.415522 0.00371654  -0.101468   0.0240019   77  PHE   A HZ   
2784 N N    . VAL   B 66  ? 0.381735 0.464222 0.575855 -0.00154081 -0.120239   -0.0214755  78  VAL   A N    
2785 C CA   . VAL   B 66  ? 0.407904 0.483461 0.612509 0.00611796  -0.117424   -0.00308648 78  VAL   A CA   
2786 C C    . VAL   B 66  ? 0.385123 0.448584 0.538198 0.0121106   -0.116453   0.0238658   78  VAL   A C    
2787 O O    . VAL   B 66  ? 0.395642 0.472517 0.514732 0.0237787   -0.131591   0.0298554   78  VAL   A O    
2788 C CB   . VAL   B 66  ? 0.431554 0.531275 0.672951 0.024084    -0.141326   -0.00661042 78  VAL   A CB   
2789 C CG1  . VAL   B 66  ? 0.436521 0.523243 0.686381 0.0346141   -0.13897    0.0150405   78  VAL   A CG1  
2790 C CG2  . VAL   B 66  ? 0.424973 0.543841 0.729794 0.0170939   -0.142114   -0.0349401  78  VAL   A CG2  
2791 H H    . VAL   B 66  ? 0.391156 0.484554 0.565564 0.00688101  -0.135122   -0.0227535  78  VAL   A H    
2792 H HA   . VAL   B 66  ? 0.385913 0.448358 0.607015 -0.0038281  -0.100132   -0.00568389 78  VAL   A HA   
2793 H HB   . VAL   B 66  ? 0.444706 0.557481 0.663744 0.0352646   -0.159665   -0.00449937 78  VAL   A HB   
2794 H HG11 . VAL   B 66  ? 0.426842 0.496159 0.685533 0.0237915   -0.11968    0.0147022   78  VAL   A HG11 
2795 H HG12 . VAL   B 66  ? 0.452177 0.532816 0.667694 0.0421062   -0.143834   0.0340176   78  VAL   A HG12 
2796 H HG13 . VAL   B 66  ? 0.446153 0.547615 0.727962 0.0453079   -0.151885   0.00998682  78  VAL   A HG13 
2797 H HG21 . VAL   B 66  ? 0.433219 0.568806 0.765134 0.0295617   -0.15773    -0.0367261  78  VAL   A HG21 
2798 H HG22 . VAL   B 66  ? 0.422555 0.54986  0.725168 0.0120912   -0.147847   -0.0485501  78  VAL   A HG22 
2799 H HG23 . VAL   B 66  ? 0.411167 0.517363 0.732833 0.00559105  -0.120968   -0.0377144  78  VAL   A HG23 
2800 N N    . PHE   B 67  ? 0.352066 0.391847 0.502651 0.00517634  -0.0990635  0.0393018   79  PHE   A N    
2801 C CA   . PHE   B 67  ? 0.365499 0.3954   0.47858  0.00852028  -0.096615   0.0663368   79  PHE   A CA   
2802 C C    . PHE   B 67  ? 0.370056 0.375427 0.501448 0.00463613  -0.0853193  0.0803137   79  PHE   A C    
2803 O O    . PHE   B 67  ? 0.344929 0.340308 0.510517 -0.00097947 -0.0770546  0.0653479   79  PHE   A O    
2804 C CB   . PHE   B 67  ? 0.401037 0.427287 0.47753  -0.00220685 -0.0854706  0.0672986   79  PHE   A CB   
2805 C CG   . PHE   B 67  ? 0.374978 0.380306 0.457256 -0.0205534  -0.0656799  0.0588308   79  PHE   A CG   
2806 C CD1  . PHE   B 67  ? 0.40128  0.402432 0.501045 -0.0297095  -0.0577554  0.0363273   79  PHE   A CD1  
2807 C CD2  . PHE   B 67  ? 0.356541 0.346569 0.427501 -0.0283845  -0.0550178  0.073548    79  PHE   A CD2  
2808 C CE1  . PHE   B 67  ? 0.367479 0.34913  0.462088 -0.0431541  -0.0402023  0.0302254   79  PHE   A CE1  
2809 C CE2  . PHE   B 67  ? 0.368786 0.34265  0.438556 -0.0423667  -0.0415427  0.0631161   79  PHE   A CE2  
2810 C CZ   . PHE   B 67  ? 0.359505 0.327878 0.437492 -0.0482423  -0.0342562  0.042635    79  PHE   A CZ   
2811 H H    . PHE   B 67  ? 0.351127 0.381561 0.524587 -0.00174231 -0.0884592  0.0323104   79  PHE   A H    
2812 H HA   . PHE   B 67  ? 0.391138 0.433299 0.492062 0.0222534   -0.11052    0.0762005   79  PHE   A HA   
2813 H HB2  . PHE   B 67  ? 0.399703 0.42646  0.455363 0.0023082   -0.085624   0.0856114   79  PHE   A HB2  
2814 H HB3  . PHE   B 67  ? 0.386369 0.424864 0.45413  8.277e-05   -0.0920512  0.0553816   79  PHE   A HB3  
2815 H HD1  . PHE   B 67  ? 0.384217 0.396337 0.498734 -0.0264911  -0.0643373  0.0253214   79  PHE   A HD1  
2816 H HD2  . PHE   B 67  ? 0.378088 0.370542 0.439739 -0.0238938  -0.0575257  0.0906694   79  PHE   A HD2  
2817 H HE1  . PHE   B 67  ? 0.366054 0.343968 0.469447 -0.0485318  -0.0326981  0.0176138   79  PHE   A HE1  
2818 H HE2  . PHE   B 67  ? 0.365957 0.331567 0.431319 -0.047598   -0.0371157  0.0709468   79  PHE   A HE2  
2819 H HZ   . PHE   B 67  ? 0.360117 0.316461 0.43237  -0.0558393  -0.0251328  0.0369736   79  PHE   A HZ   
2820 N N    . SER   B 68  ? 0.385822 0.38338  0.496759 0.00979631  -0.0856945  0.108518    80  SER   A N    
2821 C CA   . SER   B 68  ? 0.412266 0.382799 0.541739 0.00637425  -0.0771362  0.124769    80  SER   A CA   
2822 C C    . SER   B 68  ? 0.377651 0.333704 0.495455 -0.0131102  -0.0605716  0.124402    80  SER   A C    
2823 O O    . SER   B 68  ? 0.396877 0.363201 0.48574  -0.0158899  -0.057895   0.136591    80  SER   A O    
2824 C CB   . SER   B 68  ? 0.446035 0.412829 0.566094 0.0211693   -0.0848998  0.157879    80  SER   A CB   
2825 O OG   . SER   B 68  ? 0.532451 0.512719 0.66601  0.040988    -0.103402   0.155146    80  SER   A OG   
2826 H H    . SER   B 68  ? 0.399275 0.408073 0.484674 0.0155647   -0.0906673  0.117974    80  SER   A H    
2827 H HA   . SER   B 68  ? 0.402333 0.365606 0.559978 0.00674092  -0.0763977  0.112631    80  SER   A HA   
2828 H HB2  . SER   B 68  ? 0.46907  0.44605  0.560078 0.0225044   -0.0843731  0.170076    80  SER   A HB2  
2829 H HB3  . SER   B 68  ? 0.471898 0.417196 0.606901 0.0165114   -0.0778409  0.168228    80  SER   A HB3  
2831 N N    . LEU   B 69  ? 0.40382  0.339621 0.543247 -0.0248465  -0.0503582  0.107672    81  LEU   A N    
2832 C CA   . LEU   B 69  ? 0.375741 0.301558 0.50278  -0.0420182  -0.0389873  0.100748    81  LEU   A CA   
2833 C C    . LEU   B 69  ? 0.370832 0.285321 0.49934  -0.0485569  -0.0359661  0.124358    81  LEU   A C    
2834 O O    . LEU   B 69  ? 0.418688 0.315059 0.569389 -0.0448143  -0.0371795  0.141523    81  LEU   A O    
2835 C CB   . LEU   B 69  ? 0.408163 0.314778 0.553095 -0.0494153  -0.0302923  0.0759076   81  LEU   A CB   
2836 C CG   . LEU   B 69  ? 0.441068 0.337986 0.568939 -0.0644384  -0.022294   0.0643845   81  LEU   A CG   
2837 C CD1  . LEU   B 69  ? 0.41942  0.331949 0.518486 -0.0670205  -0.0192833  0.0531214   81  LEU   A CD1  
2838 C CD2  . LEU   B 69  ? 0.525897 0.397048 0.671407 -0.0684256  -0.0154537  0.0446963   81  LEU   A CD2  
2839 H H    . LEU   B 69  ? 0.394295 0.323424 0.555857 -0.0209405  -0.0510661  0.0995553   81  LEU   A H    
2840 H HA   . LEU   B 69  ? 0.368015 0.307852 0.474726 -0.0438677  -0.0387874  0.0958469   81  LEU   A HA   
2841 H HB2  . LEU   B 69  ? 0.398568 0.313716 0.546252 -0.0458834  -0.0295804  0.0630982   81  LEU   A HB2  
2842 H HB3  . LEU   B 69  ? 0.422244 0.314059 0.588426 -0.0465042  -0.0307301  0.0790147   81  LEU   A HB3  
2843 H HG   . LEU   B 69  ? 0.448579 0.345022 0.573827 -0.0688293  -0.024108   0.0777573   81  LEU   A HG   
2844 H HD11 . LEU   B 69  ? 0.41478  0.34225  0.503128 -0.0634986  -0.0240946  0.0636622   81  LEU   A HD11 
2845 H HD12 . LEU   B 69  ? 0.420666 0.327081 0.507723 -0.0743408  -0.0159734  0.0470298   81  LEU   A HD12 
2846 H HD13 . LEU   B 69  ? 0.41697  0.330189 0.52127  -0.0642089  -0.0158135  0.041394    81  LEU   A HD13 
2847 H HD21 . LEU   B 69  ? 0.515956 0.373868 0.679283 -0.068533   -0.017983   0.0524116   81  LEU   A HD21 
2848 H HD22 . LEU   B 69  ? 0.500758 0.373051 0.655232 -0.062611   -0.0119865  0.034464    81  LEU   A HD22 
2849 H HD23 . LEU   B 69  ? 0.501548 0.368547 0.631745 -0.0758465  -0.012022   0.0342385   81  LEU   A HD23 
2850 N N    . GLY   B 70  ? 0.396181 0.322707 0.503991 -0.0575203  -0.0317248  0.127506    82  GLY   A N    
2851 C CA   . GLY   B 70  ? 0.452666 0.372285 0.570505 -0.0687835  -0.0261485  0.1445      82  GLY   A CA   
2852 C C    . GLY   B 70  ? 0.540732 0.471174 0.652035 -0.0608297  -0.0246028  0.179376    82  GLY   A C    
2853 O O    . GLY   B 70  ? 0.66731  0.588354 0.7976   -0.0709842  -0.0173513  0.198154    82  GLY   A O    
2854 H H    . GLY   B 70  ? 0.382351 0.322275 0.472646 -0.0566575  -0.0322287  0.118628    82  GLY   A H    
2855 H HA2  . GLY   B 70  ? 0.44243  0.370704 0.550581 -0.0763423  -0.0237008  0.136807    82  GLY   A HA2  
2856 H HA3  . GLY   B 70  ? 0.463782 0.362488 0.603965 -0.0742939  -0.0252159  0.140367    82  GLY   A HA3  
2857 N N    . LYS   B 71  ? 0.486862 0.435843 0.573042 -0.04323    -0.0311845  0.187007    83  LYS   A N    
2858 C CA   . LYS   B 71  ? 0.538146 0.500485 0.604406 -0.0313543  -0.0293619  0.219995    83  LYS   A CA   
2859 C C    . LYS   B 71  ? 0.565961 0.559997 0.597701 -0.0291402  -0.024403   0.220905    83  LYS   A C    
2860 O O    . LYS   B 71  ? 0.624485 0.634173 0.632189 -0.0182208  -0.0198244  0.246015    83  LYS   A O    
2861 C CB   . LYS   B 71  ? 0.508657 0.468033 0.570669 -0.0106283  -0.0425928  0.228048    83  LYS   A CB   
2862 H H    . LYS   B 71  ? 0.490423 0.444445 0.570805 -0.0381435  -0.0370191  0.170321    83  LYS   A H    
2863 H HA   . LYS   B 71  ? 0.546745 0.496557 0.629502 -0.0385848  -0.0216657  0.238019    83  LYS   A HA   
2866 N N    . GLY   B 72  ? 0.631446 0.634255 0.660145 -0.0391712  -0.0224678  0.196836    84  GLY   A N    
2867 C CA   . GLY   B 72  ? 0.621373 0.653144 0.618434 -0.032816   -0.0192249  0.195271    84  GLY   A CA   
2868 C C    . GLY   B 72  ? 0.649735 0.697238 0.612764 -0.0120379  -0.030952   0.18898     84  GLY   A C    
2869 O O    . GLY   B 72  ? 0.680269 0.751207 0.611726 -0.00070504 -0.0279744  0.195469    84  GLY   A O    
2870 H H    . GLY   B 72  ? 0.589617 0.579953 0.634297 -0.0485756  -0.0231019  0.181322    84  GLY   A H    
2871 H HA2  . GLY   B 72  ? 0.606455 0.639182 0.60604  -0.04032    -0.0188129  0.177658    84  GLY   A HA2  
2872 H HA3  . GLY   B 72  ? 0.640123 0.680909 0.636513 -0.0342548  -0.00960843 0.215025    84  GLY   A HA3  
2873 N N    . GLN   B 73  ? 0.519031 0.555826 0.490987 -0.0064109  -0.0448188  0.173609    85  GLN   A N    
2874 C CA   . GLN   B 73  ? 0.506798 0.559919 0.455492 0.0105383   -0.0600138  0.15951     85  GLN   A CA   
2875 C C    . GLN   B 73  ? 0.455524 0.514279 0.397544 0.00508171  -0.0609581  0.129506    85  GLN   A C    
2876 O O    . GLN   B 73  ? 0.434279 0.507278 0.356566 0.0168284   -0.0722062  0.113985    85  GLN   A O    
2877 C CB   . GLN   B 73  ? 0.534586 0.578647 0.506429 0.0168548   -0.0746197  0.151115    85  GLN   A CB   
2878 C CG   . GLN   B 73  ? 0.539972 0.57703  0.514962 0.0287048   -0.0784215  0.18099     85  GLN   A CG   
2879 C CD   . GLN   B 73  ? 0.512537 0.54305  0.517231 0.0366074   -0.0938845  0.17004     85  GLN   A CD   
2880 O OE1  . GLN   B 73  ? 0.496877 0.530742 0.523657 0.0322138   -0.100333   0.140155    85  GLN   A OE1  
2881 N NE2  . GLN   B 73  ? 0.637811 0.658201 0.64788  0.0490852   -0.0987296  0.196437    85  GLN   A NE2  
2882 H H    . GLN   B 73  ? 0.534621 0.554953 0.529964 -0.0132717  -0.04501    0.170272    85  GLN   A H    
2883 H HA   . GLN   B 73  ? 0.533871 0.600741 0.45728  0.0222978   -0.060462   0.173953    85  GLN   A HA   
2884 H HB2  . GLN   B 73  ? 0.502962 0.533316 0.499408 0.00543001  -0.0707592  0.139107    85  GLN   A HB2  
2885 H HB3  . GLN   B 73  ? 0.522497 0.57886  0.485075 0.025382    -0.086032   0.136319    85  GLN   A HB3  
2886 H HG2  . GLN   B 73  ? 0.562828 0.61373  0.508684 0.0418263   -0.0820201  0.194063    85  GLN   A HG2  
2887 H HG3  . GLN   B 73  ? 0.540508 0.563468 0.527769 0.0191356   -0.0667679  0.195637    85  GLN   A HG3  
2888 H HE21 . GLN   B 73  ? 0.608002 0.625126 0.638031 0.0555538   -0.108214   0.191427    85  GLN   A HE21 
2889 H HE22 . GLN   B 73  ? 0.625827 0.642448 0.620806 0.0513291   -0.0919378  0.219847    85  GLN   A HE22 
2890 N N    . VAL   B 74  ? 0.3907   0.436382 0.348555 -0.0116729  -0.0503728  0.121454    86  VAL   A N    
2891 C CA   . VAL   B 74  ? 0.341845 0.386563 0.29296  -0.0170065  -0.0489734  0.0979147   86  VAL   A CA   
2892 C C    . VAL   B 74  ? 0.315816 0.362767 0.263785 -0.0257457  -0.0370699  0.10568     86  VAL   A C    
2893 O O    . VAL   B 74  ? 0.356336 0.404751 0.315053 -0.0306788  -0.0301286  0.126189    86  VAL   A O    
2894 C CB   . VAL   B 74  ? 0.372011 0.39655  0.347401 -0.0270898  -0.0495186  0.0782971   86  VAL   A CB   
2895 C CG1  . VAL   B 74  ? 0.40094  0.429606 0.38906  -0.0192016  -0.0618935  0.0655923   86  VAL   A CG1  
2896 C CG2  . VAL   B 74  ? 0.361914 0.368504 0.360016 -0.0384404  -0.0419269  0.0860855   86  VAL   A CG2  
2897 H H    . VAL   B 74  ? 0.393663 0.429038 0.366806 -0.0196588  -0.0443647  0.130864    86  VAL   A H    
2898 H HA   . VAL   B 74  ? 0.358655 0.414711 0.292907 -0.00759029 -0.054935   0.0906618   86  VAL   A HA   
2899 H HB   . VAL   B 74  ? 0.356905 0.377525 0.325822 -0.0312646  -0.0461521  0.0671876   86  VAL   A HB   
2900 H HG11 . VAL   B 74  ? 0.404184 0.436923 0.397092 -0.0127368  -0.0670057  0.0769616   86  VAL   A HG11 
2901 H HG12 . VAL   B 74  ? 0.398107 0.436855 0.372788 -0.0127838  -0.0681565  0.0570604   86  VAL   A HG12 
2902 H HG13 . VAL   B 74  ? 0.384283 0.401909 0.390595 -0.0264708  -0.0586143  0.0542223   86  VAL   A HG13 
2903 H HG21 . VAL   B 74  ? 0.356075 0.350806 0.364502 -0.0442221  -0.0394218  0.0728742   86  VAL   A HG21 
2904 H HG22 . VAL   B 74  ? 0.362195 0.36904  0.355846 -0.0436146  -0.0364347  0.0931338   86  VAL   A HG22 
2905 H HG23 . VAL   B 74  ? 0.373179 0.379517 0.380971 -0.0341963  -0.0451379  0.0966025   86  VAL   A HG23 
2906 N N    . ILE   B 75  ? 0.30282  0.350202 0.24008  -0.0272115  -0.0354091  0.0903025   87  ILE   A N    
2907 C CA   . ILE   B 75  ? 0.319519 0.372706 0.257775 -0.0335327  -0.027461   0.0951815   87  ILE   A CA   
2908 C C    . ILE   B 75  ? 0.296425 0.331748 0.259216 -0.0492898  -0.02467    0.0965608   87  ILE   A C    
2909 O O    . ILE   B 75  ? 0.342007 0.356681 0.315554 -0.0544744  -0.0267902  0.0878207   87  ILE   A O    
2910 C CB   . ILE   B 75  ? 0.333107 0.386071 0.254524 -0.0286351  -0.0287289  0.0778553   87  ILE   A CB   
2911 C CG1  . ILE   B 75  ? 0.372495 0.398227 0.296451 -0.0343914  -0.0317568  0.0589898   87  ILE   A CG1  
2912 C CG2  . ILE   B 75  ? 0.365689 0.438209 0.263881 -0.0119502  -0.0309328  0.075201    87  ILE   A CG2  
2913 C CD1  . ILE   B 75  ? 0.383144 0.399438 0.292343 -0.0312498  -0.0311533  0.0463458   87  ILE   A CD1  
2914 H H    . ILE   B 75  ? 0.308371 0.352615 0.239634 -0.0237279  -0.0400154  0.0765596   87  ILE   A H    
2915 H HA   . ILE   B 75  ? 0.323665 0.393336 0.258485 -0.0293997  -0.0233903  0.109064    87  ILE   A HA   
2916 H HB   . ILE   B 75  ? 0.337195 0.394265 0.262476 -0.0323792  -0.0252877  0.0807398   87  ILE   A HB   
2917 H HG12 . ILE   B 75  ? 0.365204 0.389735 0.290259 -0.030931   -0.0359124  0.0539882   87  ILE   A HG12 
2918 H HG13 . ILE   B 75  ? 0.358273 0.372856 0.293885 -0.0431925  -0.0294887  0.0604012   87  ILE   A HG13 
2919 H HG21 . ILE   B 75  ? 0.359647 0.43056  0.250093 -0.00855319 -0.0310348  0.0652725   87  ILE   A HG21 
2920 H HG22 . ILE   B 75  ? 0.365346 0.434457 0.259397 -0.00762362 -0.0371651  0.0691029   87  ILE   A HG22 
2921 H HG23 . ILE   B 75  ? 0.366769 0.456944 0.262209 -0.0081026  -0.026054   0.0889505   87  ILE   A HG23 
2922 H HD11 . ILE   B 75  ? 0.379098 0.400069 0.287047 -0.0324022  -0.0291897  0.0509684   87  ILE   A HD11 
2923 H HD12 . ILE   B 75  ? 0.380505 0.378221 0.292151 -0.0363421  -0.0299812  0.0383879   87  ILE   A HD12 
2924 H HD13 . ILE   B 75  ? 0.386559 0.410346 0.285816 -0.022219   -0.0339003  0.0416025   87  ILE   A HD13 
2925 N N    . LYS   B 76  ? 0.332541 0.377897 0.306963 -0.0563713  -0.0200762  0.105447    88  LYS   A N    
2926 C CA   . LYS   B 76  ? 0.329859 0.361587 0.329968 -0.0711685  -0.0199441  0.105366    88  LYS   A CA   
2927 C C    . LYS   B 76  ? 0.305735 0.31402  0.297827 -0.075089   -0.0242836  0.0833549   88  LYS   A C    
2928 O O    . LYS   B 76  ? 0.340092 0.328009 0.345504 -0.0825348  -0.0248014  0.0775032   88  LYS   A O    
2929 C CB   . LYS   B 76  ? 0.35732  0.410458 0.375816 -0.0778842  -0.0166057  0.114703    88  LYS   A CB   
2930 H H    . LYS   B 76  ? 0.324408 0.387301 0.292324 -0.0514456  -0.0173733  0.11025     88  LYS   A H    
2931 H HA   . LYS   B 76  ? 0.337448 0.361235 0.349992 -0.0735871  -0.018915   0.113807    88  LYS   A HA   
2934 N N    . ALA   B 77  ? 0.325374 0.333847 0.293437 -0.0682307  -0.0257797  0.0716763   89  ALA   A N    
2935 C CA   . ALA   B 77  ? 0.330334 0.314925 0.283917 -0.070284   -0.0262643  0.0549884   89  ALA   A CA   
2936 C C    . ALA   B 77  ? 0.316334 0.281252 0.275856 -0.0726431  -0.0221557  0.0483828   89  ALA   A C    
2937 O O    . ALA   B 77  ? 0.371458 0.316846 0.328348 -0.0774008  -0.01887    0.0378269   89  ALA   A O    
2938 C CB   . ALA   B 77  ? 0.343299 0.326805 0.271987 -0.0615222  -0.0267237  0.0484881   89  ALA   A CB   
2939 H H    . ALA   B 77  ? 0.318502 0.341126 0.278044 -0.0614065  -0.0254427  0.0750118   89  ALA   A H    
2940 H HA   . ALA   B 77  ? 0.333964 0.315087 0.292323 -0.0759653  -0.0286915  0.0520934   89  ALA   A HA   
2941 H HB1  . ALA   B 77  ? 0.34059  0.336286 0.267638 -0.059237   -0.0298303  0.0510349   89  ALA   A HB1  
2942 H HB2  . ALA   B 77  ? 0.33714  0.32527  0.262771 -0.0559937  -0.0258187  0.0493424   89  ALA   A HB2  
2943 H HB3  . ALA   B 77  ? 0.347072 0.312658 0.265045 -0.0629102  -0.0247999  0.0406966   89  ALA   A HB3  
2944 N N    . TRP   B 78  ? 0.320162 0.292768 0.286665 -0.0669658  -0.022573   0.0531453   90  TRP   A N    
2945 C CA   . TRP   B 78  ? 0.340493 0.300927 0.321563 -0.0678488  -0.0202458  0.0465484   90  TRP   A CA   
2946 C C    . TRP   B 78  ? 0.305099 0.256876 0.309073 -0.0729295  -0.0197189  0.051125    90  TRP   A C    
2947 O O    . TRP   B 78  ? 0.344015 0.279446 0.358492 -0.0755215  -0.0144806  0.0397001   90  TRP   A O    
2948 C CB   . TRP   B 78  ? 0.334765 0.308157 0.319356 -0.0588747  -0.025645   0.0467934   90  TRP   A CB   
2949 C CG   . TRP   B 78  ? 0.334182 0.303458 0.309621 -0.0570678  -0.0244159  0.0329459   90  TRP   A CG   
2950 C CD1  . TRP   B 78  ? 0.368395 0.332425 0.322479 -0.0560924  -0.0220747  0.0282515   90  TRP   A CD1  
2951 C CD2  . TRP   B 78  ? 0.300562 0.269007 0.295035 -0.0563372  -0.0256248  0.0214505   90  TRP   A CD2  
2952 N NE1  . TRP   B 78  ? 0.355728 0.311166 0.313903 -0.0560744  -0.0203622  0.0158804   90  TRP   A NE1  
2953 C CE2  . TRP   B 78  ? 0.322977 0.282866 0.308823 -0.0576058  -0.0222871  0.010346    90  TRP   A CE2  
2954 C CE3  . TRP   B 78  ? 0.311567 0.285815 0.334472 -0.0545802  -0.0295421  0.0196413   90  TRP   A CE3  
2955 C CZ2  . TRP   B 78  ? 0.344763 0.303785 0.3535   -0.0595752  -0.0227375  -0.00325655 90  TRP   A CZ2  
2956 C CZ3  . TRP   B 78  ? 0.35089  0.32824  0.396797 -0.0550902  -0.0309226  0.00518217  90  TRP   A CZ3  
2957 C CH2  . TRP   B 78  ? 0.385105 0.35549  0.426017 -0.0590091  -0.0272557  -0.0067504  90  TRP   A CH2  
2958 H H    . TRP   B 78  ? 0.32112  0.308127 0.283355 -0.061546   -0.02485    0.0595906   90  TRP   A H    
2959 H HA   . TRP   B 78  ? 0.330949 0.278778 0.305531 -0.0702942  -0.0153409  0.0363922   90  TRP   A HA   
2960 H HB2  . TRP   B 78  ? 0.336301 0.323734 0.31457  -0.0538237  -0.0297134  0.0564432   90  TRP   A HB2  
2961 H HB3  . TRP   B 78  ? 0.335816 0.30691  0.337194 -0.0585085  -0.0266053  0.0467394   90  TRP   A HB3  
2962 H HD1  . TRP   B 78  ? 0.357031 0.323007 0.298662 -0.0554525  -0.0219572  0.032826    90  TRP   A HD1  
2963 H HE1  . TRP   B 78  ? 0.357154 0.305412 0.305054 -0.0551334  -0.0186306  0.0121083   90  TRP   A HE1  
2964 H HE3  . TRP   B 78  ? 0.318631 0.294738 0.347962 -0.0530208  -0.031458   0.0280889   90  TRP   A HE3  
2965 H HZ2  . TRP   B 78  ? 0.355858 0.306166 0.361855 -0.0615813  -0.0197222  -0.00995067 90  TRP   A HZ2  
2966 H HZ3  . TRP   B 78  ? 0.346518 0.331118 0.414868 -0.0525547  -0.0351765  0.00314323  90  TRP   A HZ3  
2967 H HH2  . TRP   B 78  ? 0.367698 0.340631 0.430464 -0.0611324  -0.0279914  -0.0170972  90  TRP   A HH2  
2968 N N    . ASP   B 79  ? 0.319956 0.281926 0.334373 -0.0732219  -0.0231778  0.0682641   91  ASP   A N    
2969 C CA   . ASP   B 79  ? 0.363702 0.312011 0.403573 -0.0791053  -0.0227379  0.0738231   91  ASP   A CA   
2970 C C    . ASP   B 79  ? 0.387323 0.317258 0.428644 -0.0887731  -0.0209051  0.0570892   91  ASP   A C    
2971 O O    . ASP   B 79  ? 0.377704 0.287915 0.435078 -0.0906492  -0.0188113  0.0478625   91  ASP   A O    
2972 C CB   . ASP   B 79  ? 0.400743 0.359631 0.453025 -0.079768   -0.0234752  0.0978593   91  ASP   A CB   
2973 C CG   . ASP   B 79  ? 0.403172 0.372247 0.453883 -0.0672325  -0.0260284  0.116061    91  ASP   A CG   
2974 O OD1  . ASP   B 79  ? 0.374946 0.339435 0.428038 -0.0595176  -0.0302857  0.107528    91  ASP   A OD1  
2975 O OD2  . ASP   B 79  ? 0.397781 0.38032  0.446588 -0.0651344  -0.0232303  0.139593    91  ASP   A OD2  
2976 H H    . ASP   B 79  ? 0.323112 0.299613 0.329403 -0.0695399  -0.0247092  0.0767745   91  ASP   A H    
2977 H HA   . ASP   B 79  ? 0.367363 0.309457 0.417084 -0.0750053  -0.0229299  0.0718531   91  ASP   A HA   
2978 H HB2  . ASP   B 79  ? 0.38822  0.360654 0.43162  -0.0814176  -0.0226409  0.101512    91  ASP   A HB2  
2979 H HB3  . ASP   B 79  ? 0.401572 0.347467 0.472823 -0.0866102  -0.0228083  0.0992617   91  ASP   A HB3  
2980 N N    . ILE   B 80  ? 0.3535   0.289809 0.375952 -0.0918828  -0.0226043  0.050982    92  ILE   A N    
2981 C CA   . ILE   B 80  ? 0.37163  0.293444 0.386758 -0.0980809  -0.0247131  0.0337266   92  ILE   A CA   
2982 C C    . ILE   B 80  ? 0.35693  0.260859 0.349675 -0.0937925  -0.0170625  0.0168484   92  ILE   A C    
2983 O O    . ILE   B 80  ? 0.413475 0.298689 0.408718 -0.0960497  -0.0144474  0.0025734   92  ILE   A O    
2984 C CB   . ILE   B 80  ? 0.382672 0.320631 0.385373 -0.0997803  -0.0319468  0.0336897   92  ILE   A CB   
2985 C CG1  . ILE   B 80  ? 0.417722 0.375085 0.450886 -0.1068     -0.0359154  0.0486803   92  ILE   A CG1  
2986 C CG2  . ILE   B 80  ? 0.438904 0.363295 0.422045 -0.101551   -0.0378899  0.0135071   92  ILE   A CG2  
2987 C CD1  . ILE   B 80  ? 0.414893 0.398717 0.442586 -0.105081   -0.0411459  0.0516159   92  ILE   A CD1  
2988 H H    . ILE   B 80  ? 0.354353 0.305132 0.366861 -0.0885547  -0.0235295  0.0571851   92  ILE   A H    
2989 H HA   . ILE   B 80  ? 0.377761 0.290807 0.412522 -0.103381   -0.0264891  0.0325105   92  ILE   A HA   
2990 H HB   . ILE   B 80  ? 0.385468 0.33186  0.371761 -0.0935     -0.0300971  0.0371761   92  ILE   A HB   
2991 H HG12 . ILE   B 80  ? 0.419912 0.367703 0.471686 -0.114524   -0.0391962  0.0434907   92  ILE   A HG12 
2992 H HG13 . ILE   B 80  ? 0.402928 0.365752 0.444478 -0.104504   -0.0313276  0.0623062   92  ILE   A HG13 
2993 H HG21 . ILE   B 80  ? 0.428572 0.365916 0.410588 -0.102253   -0.0452238  0.0140313   92  ILE   A HG21 
2994 H HG22 . ILE   B 80  ? 0.439469 0.351809 0.435764 -0.106645   -0.039483   0.0056377   92  ILE   A HG22 
2995 H HG23 . ILE   B 80  ? 0.431983 0.346926 0.390644 -0.0959889  -0.0328907  0.00776323  92  ILE   A HG23 
2996 H HD11 . ILE   B 80  ? 0.407306 0.395503 0.413065 -0.096478   -0.0388803  0.0523365   92  ILE   A HD11 
2997 H HD12 . ILE   B 80  ? 0.410925 0.410686 0.460089 -0.108681   -0.0393264  0.0645283   92  ILE   A HD12 
2998 H HD13 . ILE   B 80  ? 0.424015 0.404828 0.449913 -0.108169   -0.0485692  0.0396276   92  ILE   A HD13 
2999 N N    . GLY   B 81  ? 0.354658 0.263736 0.328236 -0.0876467  -0.0118969  0.0184328   93  GLY   A N    
3000 C CA   . GLY   B 81  ? 0.375944 0.269401 0.327492 -0.0851577  -0.0011522  0.00668236  93  GLY   A CA   
3001 C C    . GLY   B 81  ? 0.380306 0.265178 0.35175  -0.0845643  0.0097841   7.247e-05   93  GLY   A C    
3002 O O    . GLY   B 81  ? 0.417925 0.286941 0.38162  -0.0846759  0.0202712   -0.0124889  93  GLY   A O    
3003 H H    . GLY   B 81  ? 0.344232 0.266417 0.319308 -0.085034   -0.0143693  0.0274278   93  GLY   A H    
3004 H HA2  . GLY   B 81  ? 0.39027  0.274599 0.325201 -0.0860739  -0.00176752 -0.00076387 93  GLY   A HA2  
3005 H HA3  . GLY   B 81  ? 0.369619 0.267388 0.308854 -0.0821467  6.599e-05   0.0102172   93  GLY   A HA3  
3006 N N    . VAL   B 82  ? 0.379007 0.27714  0.378083 -0.0821591  0.00611763  0.00847671  94  VAL   A N    
3007 C CA   . VAL   B 82  ? 0.386316 0.282321 0.412812 -0.0796513  0.013508    0.00220301  94  VAL   A CA   
3008 C C    . VAL   B 82  ? 0.381955 0.263523 0.425288 -0.0801767  0.0152519   -0.00483275 94  VAL   A C    
3009 O O    . VAL   B 82  ? 0.436856 0.310584 0.493475 -0.0776938  0.0271918   -0.0171199  94  VAL   A O    
3010 C CB   . VAL   B 82  ? 0.397049 0.312276 0.44629  -0.074121   0.00480265  0.0109458   94  VAL   A CB   
3011 C CG1  . VAL   B 82  ? 0.476796 0.393989 0.562473 -0.0698678  0.00916344  0.00347221  94  VAL   A CG1  
3012 C CG2  . VAL   B 82  ? 0.386298 0.310762 0.421309 -0.0735841  0.004458    0.0100179   94  VAL   A CG2  
3013 H H    . VAL   B 82  ? 0.367215 0.277099 0.367629 -0.0808834  -0.0012519  0.0178041   94  VAL   A H    
3014 H HA   . VAL   B 82  ? 0.392143 0.282795 0.410881 -0.0803144  0.0238624   -0.00522009 94  VAL   A HA   
3015 H HB   . VAL   B 82  ? 0.401004 0.321758 0.452046 -0.0725918  -0.00401548 0.0214873   94  VAL   A HB   
3016 H HG11 . VAL   B 82  ? 0.456996 0.366529 0.542658 -0.0724022  0.0214788   -0.00680442 94  VAL   A HG11 
3017 H HG12 . VAL   B 82  ? 0.455562 0.368382 0.55424  -0.067544   0.00557303  0.006871    94  VAL   A HG12 
3018 H HG13 . VAL   B 82  ? 0.442886 0.3738   0.540108 -0.0661786  0.00317928  0.00527198  94  VAL   A HG13 
3019 H HG21 . VAL   B 82  ? 0.381122 0.31854  0.42898  -0.0692066  -0.00322591 0.0127415   94  VAL   A HG21 
3020 H HG22 . VAL   B 82  ? 0.386484 0.310857 0.400203 -0.074357   0.00148296  0.0145602   94  VAL   A HG22 
3021 H HG23 . VAL   B 82  ? 0.392431 0.30965  0.427684 -0.076233   0.0148558   0.00174363  94  VAL   A HG23 
3022 N N    . ALA   B 83  ? 0.386993 0.264312 0.432574 -0.0836896  0.00511233  0.00106506  95  ALA   A N    
3023 C CA   . ALA   B 83  ? 0.393429 0.252107 0.457056 -0.0852655  0.00472984  -0.00789482 95  ALA   A CA   
3024 C C    . ALA   B 83  ? 0.486832 0.328406 0.526535 -0.0857432  0.0143121   -0.0306536  95  ALA   A C    
3025 O O    . ALA   B 83  ? 0.523483 0.34836  0.577259 -0.0836167  0.0181194   -0.044835   95  ALA   A O    
3026 C CB   . ALA   B 83  ? 0.43919  0.296639 0.513797 -0.0922473  -0.00750253 0.00309877  95  ALA   A CB   
3027 H H    . ALA   B 83  ? 0.376518 0.26286  0.414802 -0.0854009  -0.00147142 0.0105225   95  ALA   A H    
3028 H HA   . ALA   B 83  ? 0.41511  0.272642 0.502015 -0.0804634  0.0067326   -0.0068181  95  ALA   A HA   
3029 H HB1  . ALA   B 83  ? 0.415715 0.283883 0.501316 -0.0906389  -0.0111829  0.0194165   95  ALA   A HB1  
3030 H HB2  . ALA   B 83  ? 0.425888 0.287331 0.482078 -0.0964194  -0.0106507  0.0007729   95  ALA   A HB2  
3031 H HB3  . ALA   B 83  ? 0.441599 0.283749 0.532149 -0.0938009  -0.00829149 -0.00390984 95  ALA   A HB3  
3032 N N    . THR   B 84  ? 0.459873 0.303883 0.46065  -0.086403   0.0183804   -0.0339681  96  THR   A N    
3033 C CA   . THR   B 84  ? 0.480983 0.308329 0.448352 -0.0840368  0.0277783   -0.0531223  96  THR   A CA   
3034 C C    . THR   B 84  ? 0.493424 0.317496 0.456876 -0.078656   0.050883    -0.0592963  96  THR   A C    
3035 O O    . THR   B 84  ? 0.523477 0.333429 0.458931 -0.0744114  0.0641616   -0.0745594  96  THR   A O    
3036 C CB   . THR   B 84  ? 0.48646  0.315613 0.410416 -0.0846948  0.0206132   -0.0513937  96  THR   A CB   
3037 O OG1  . THR   B 84  ? 0.492925 0.329025 0.40157  -0.082398   0.0304372   -0.0395129  96  THR   A OG1  
3038 C CG2  . THR   B 84  ? 0.499953 0.338948 0.434056 -0.0907163  -0.00095513 -0.0461292  96  THR   A CG2  
3039 H H    . THR   B 84  ? 0.448973 0.303977 0.441707 -0.0870532  0.0151674   -0.0240052  96  THR   A H    
3040 H HA   . THR   B 84  ? 0.499228 0.316024 0.474656 -0.0845592  0.0237542   -0.0638826  96  THR   A HA   
3041 H HB   . THR   B 84  ? 0.522699 0.339695 0.421849 -0.0816746  0.0245659   -0.0646475  96  THR   A HB   
3043 H HG21 . THR   B 84  ? 0.50174  0.342876 0.40944  -0.0892629  -0.00617196 -0.0472926  96  THR   A HG21 
3044 H HG22 . THR   B 84  ? 0.469396 0.320848 0.423647 -0.092759   -0.00386627 -0.0322251  96  THR   A HG22 
3045 H HG23 . THR   B 84  ? 0.505088 0.336166 0.453326 -0.0935038  -0.00636332 -0.0557002  96  THR   A HG23 
3046 N N    . MET   B 85  ? 0.458959 0.297107 0.452875 -0.0782076  0.0564561   -0.0493979  97  MET   A N    
3047 C CA   . MET   B 85  ? 0.492443 0.332963 0.489874 -0.0762073  0.0792004   -0.0531259  97  MET   A CA   
3048 C C    . MET   B 85  ? 0.486957 0.328394 0.523323 -0.0708079  0.0917237   -0.0653848  97  MET   A C    
3049 O O    . MET   B 85  ? 0.466912 0.311545 0.53919  -0.0677373  0.0792147   -0.0648732  97  MET   A O    
3050 C CB   . MET   B 85  ? 0.434728 0.292913 0.450295 -0.079283   0.0760286   -0.0396542  97  MET   A CB   
3051 C CG   . MET   B 85  ? 0.447839 0.304471 0.426383 -0.0821452  0.0671706   -0.02884    97  MET   A CG   
3052 S SD   . MET   B 85  ? 0.430423 0.303968 0.429885 -0.0843783  0.0624985   -0.0189627  97  MET   A SD   
3053 C CE   . MET   B 85  ? 0.453925 0.322144 0.469237 -0.0883414  0.0916565   -0.0256788  97  MET   A CE   
3054 H H    . MET   B 85  ? 0.44813  0.295683 0.462722 -0.079198   0.0459496   -0.0402121  97  MET   A H    
3055 H HA   . MET   B 85  ? 0.500961 0.331376 0.464697 -0.075699   0.0891388   -0.0569948  97  MET   A HA   
3056 H HB2  . MET   B 85  ? 0.427465 0.29616  0.470226 -0.0780799  0.064464    -0.0354453  97  MET   A HB2  
3057 H HB3  . MET   B 85  ? 0.450015 0.310682 0.476927 -0.0796562  0.0912036   -0.0428758  97  MET   A HB3  
3058 H HG2  . MET   B 85  ? 0.466361 0.311085 0.415627 -0.0818382  0.0775357   -0.0312769  97  MET   A HG2  
3059 H HG3  . MET   B 85  ? 0.439721 0.297475 0.411718 -0.082126   0.0530977   -0.0257427  97  MET   A HG3  
3060 H HE1  . MET   B 85  ? 0.442768 0.318164 0.473964 -0.0910291  0.0896941   -0.0234158  97  MET   A HE1  
3061 H HE2  . MET   B 85  ? 0.452784 0.326324 0.493311 -0.0871089  0.0980173   -0.0324034  97  MET   A HE2  
3062 H HE3  . MET   B 85  ? 0.474414 0.327611 0.458789 -0.0886514  0.103469    -0.024809   97  MET   A HE3  
3063 N N    . LYS   B 86  ? 0.51727  0.355051 0.54619  -0.06825    0.118399    -0.0753924  98  LYS   A N    
3064 C CA   . LYS   B 86  ? 0.544602 0.387915 0.614436 -0.0614731  0.134823    -0.0884926  98  LYS   A CA   
3065 C C    . LYS   B 86  ? 0.490948 0.359436 0.610076 -0.0640034  0.142419    -0.0818012  98  LYS   A C    
3066 O O    . LYS   B 86  ? 0.505924 0.38085  0.616625 -0.0718371  0.144224    -0.0709021  98  LYS   A O    
3067 C CB   . LYS   B 86  ? 0.619651 0.448145 0.652887 -0.0562314  0.162753    -0.103952   98  LYS   A CB   
3068 C CG   . LYS   B 86  ? 0.702853 0.507232 0.687022 -0.0514852  0.154372    -0.118234   98  LYS   A CG   
3069 C CD   . LYS   B 86  ? 0.830781 0.62453  0.770763 -0.0438854  0.186036    -0.13133    98  LYS   A CD   
3070 C CE   . LYS   B 86  ? 0.86675  0.638111 0.760744 -0.0353728  0.179019    -0.15388    98  LYS   A CE   
3071 N NZ   . LYS   B 86  ? 0.849082 0.612963 0.711846 -0.0416776  0.147785    -0.147112   98  LYS   A NZ   
3072 H H    . LYS   B 86  ? 0.533759 0.36584  0.531712 -0.0700163  0.127746    -0.0731957  98  LYS   A H    
3073 H HA   . LYS   B 86  ? 0.536239 0.376777 0.62558  -0.0577393  0.122298    -0.0921921  98  LYS   A HA   
3074 H HB2  . LYS   B 86  ? 0.630201 0.459219 0.642212 -0.0599562  0.175571    -0.0968044  98  LYS   A HB2  
3075 H HB3  . LYS   B 86  ? 0.629432 0.464709 0.693294 -0.0511781  0.176587    -0.112754   98  LYS   A HB3  
3076 H HG2  . LYS   B 86  ? 0.706019 0.506359 0.71363  -0.0479484  0.144856    -0.127289   98  LYS   A HG2  
3077 H HG3  . LYS   B 86  ? 0.700373 0.500722 0.658854 -0.0560943  0.13908     -0.110193   98  LYS   A HG3  
3078 H HD2  . LYS   B 86  ? 0.815082 0.608446 0.726657 -0.0474     0.193899    -0.119773   98  LYS   A HD2  
3079 H HD3  . LYS   B 86  ? 0.81168  0.614338 0.781977 -0.0402799  0.2048      -0.13651    98  LYS   A HD3  
3080 H HE2  . LYS   B 86  ? 0.904203 0.669304 0.7611   -0.0291833  0.199135    -0.160424   98  LYS   A HE2  
3081 H HE3  . LYS   B 86  ? 0.866773 0.635198 0.789751 -0.0313257  0.174362    -0.166969   98  LYS   A HE3  
3082 H HZ1  . LYS   B 86  ? 0.838519 0.607907 0.688762 -0.0460678  0.148313    -0.131599   98  LYS   A HZ1  
3083 H HZ2  . LYS   B 86  ? 0.827647 0.593688 0.72134  -0.0456017  0.130114    -0.146021   98  LYS   A HZ2  
3084 H HZ3  . LYS   B 86  ? 0.885286 0.637029 0.710637 -0.0366789  0.145255    -0.160007   98  LYS   A HZ3  
3085 N N    . LYS   B 87  ? 0.495454 0.378393 0.669108 -0.0569129  0.148808    -0.0908703  99  LYS   A N    
3086 C CA   . LYS   B 87  ? 0.470986 0.382639 0.698961 -0.0594119  0.153696    -0.0882216  99  LYS   A CA   
3087 C C    . LYS   B 87  ? 0.476073 0.390539 0.696567 -0.0679503  0.186023    -0.0886573  99  LYS   A C    
3088 O O    . LYS   B 87  ? 0.531155 0.434157 0.728495 -0.0649516  0.214009    -0.0967382  99  LYS   A O    
3089 C CB   . LYS   B 87  ? 0.524406 0.452383 0.813726 -0.0475569  0.156799    -0.100213   99  LYS   A CB   
3090 C CG   . LYS   B 87  ? 0.550689 0.513497 0.905009 -0.0477702  0.148272    -0.0984349  99  LYS   A CG   
3091 C CD   . LYS   B 87  ? 0.602383 0.586054 1.02357  -0.0337435  0.15206     -0.111043   99  LYS   A CD   
3092 C CE   . LYS   B 87  ? 0.58417  0.607977 1.07474  -0.0340213  0.142973    -0.112831   99  LYS   A CE   
3093 N NZ   . LYS   B 87  ? 0.613195 0.656079 1.1665   -0.0177468  0.149461    -0.126361   99  LYS   A NZ   
3094 H H    . LYS   B 87  ? 0.506117 0.381602 0.685929 -0.0501212  0.149126    -0.0998923  99  LYS   A H    
3095 H HA   . LYS   B 87  ? 0.456332 0.375396 0.688894 -0.0624431  0.134047    -0.0786792  99  LYS   A HA   
3096 H HB2  . LYS   B 87  ? 0.521234 0.439791 0.80951  -0.0410514  0.140682    -0.0998427  99  LYS   A HB2  
3097 H HB3  . LYS   B 87  ? 0.543607 0.468671 0.832845 -0.0447238  0.180301    -0.110692   99  LYS   A HB3  
3098 H HG2  . LYS   B 87  ? 0.547945 0.518514 0.905821 -0.0565318  0.163175    -0.0982527  99  LYS   A HG2  
3099 H HG3  . LYS   B 87  ? 0.530441 0.49589  0.881251 -0.0480898  0.124056    -0.0891076  99  LYS   A HG3  
3100 H HD2  . LYS   B 87  ? 0.592366 0.566371 1.01248  -0.0246754  0.135195    -0.109138   99  LYS   A HD2  
3101 H HD3  . LYS   B 87  ? 0.612107 0.59224  1.03366  -0.0319387  0.177428    -0.121154   99  LYS   A HD3  
3102 H HE2  . LYS   B 87  ? 0.587888 0.620507 1.08506  -0.0447262  0.159435    -0.114458   99  LYS   A HE2  
3103 H HE3  . LYS   B 87  ? 0.571005 0.599343 1.06048  -0.0327502  0.116466    -0.104527   99  LYS   A HE3  
3104 H HZ1  . LYS   B 87  ? 0.622969 0.663706 1.17775  -0.0182783  0.175945    -0.134977   99  LYS   A HZ1  
3105 H HZ2  . LYS   B 87  ? 0.61046  0.640993 1.15682  -0.00759045 0.135208    -0.124127   99  LYS   A HZ2  
3106 H HZ3  . LYS   B 87  ? 0.595434 0.665209 1.19504  -0.0164038  0.141223    -0.128758   99  LYS   A HZ3  
3107 N N    . GLY   B 88  ? 0.447473 0.376186 0.688843 -0.0780066  0.183175    -0.0802288  100 GLY   A N    
3108 C CA   . GLY   B 88  ? 0.45981  0.386988 0.69895  -0.0888936  0.213341    -0.0762872  100 GLY   A CA   
3109 C C    . GLY   B 88  ? 0.492629 0.390026 0.658636 -0.0942348  0.216008    -0.0630868  100 GLY   A C    
3110 O O    . GLY   B 88  ? 0.510708 0.401687 0.672691 -0.103296   0.238163    -0.0552691  100 GLY   A O    
3111 H H    . GLY   B 88  ? 0.426722 0.365452 0.684955 -0.0779822  0.161291    -0.0766531  100 GLY   A H    
3112 H HA2  . GLY   B 88  ? 0.448241 0.392857 0.728762 -0.0947403  0.208347    -0.0758824  100 GLY   A HA2  
3113 H HA3  . GLY   B 88  ? 0.485622 0.414809 0.734047 -0.0863725  0.238361    -0.0828227  100 GLY   A HA3  
3114 N N    . GLU   B 89  ? 0.487613 0.367644 0.601606 -0.0885399  0.192992    -0.0599597  101 GLU   A N    
3115 C CA   . GLU   B 89  ? 0.488283 0.343385 0.535022 -0.0903398  0.19195     -0.0488279  101 GLU   A CA   
3116 C C    . GLU   B 89  ? 0.488281 0.345913 0.542034 -0.0982804  0.176994    -0.0371158  101 GLU   A C    
3117 O O    . GLU   B 89  ? 0.423328 0.299632 0.51353  -0.0990371  0.153149    -0.0386482  101 GLU   A O    
3118 C CB   . GLU   B 89  ? 0.509246 0.352465 0.514518 -0.0828065  0.169135    -0.052225   101 GLU   A CB   
3119 C CG   . GLU   B 89  ? 0.537337 0.359263 0.475014 -0.0816662  0.162664    -0.0432964  101 GLU   A CG   
3120 C CD   . GLU   B 89  ? 0.564869 0.380234 0.474518 -0.0761201  0.139052    -0.0503122  101 GLU   A CD   
3121 O OE1  . GLU   B 89  ? 0.563984 0.376289 0.479048 -0.0710924  0.140817    -0.0654652  101 GLU   A OE1  
3122 O OE2  . GLU   B 89  ? 0.558647 0.372343 0.445657 -0.076957   0.118573    -0.0419239  101 GLU   A OE2  
3123 H H    . GLU   B 89  ? 0.471306 0.355884 0.595297 -0.0832287  0.177294    -0.0645744  101 GLU   A H    
3124 H HA   . GLU   B 89  ? 0.530495 0.374834 0.555908 -0.0905337  0.216313    -0.0474926  101 GLU   A HA   
3125 H HB2  . GLU   B 89  ? 0.522478 0.362589 0.526208 -0.0775611  0.177815    -0.0624572  101 GLU   A HB2  
3126 H HB3  . GLU   B 89  ? 0.478786 0.332383 0.506158 -0.0828829  0.148154    -0.0512034  101 GLU   A HB3  
3127 H HG2  . GLU   B 89  ? 0.526106 0.350342 0.466067 -0.0855831  0.153533    -0.0339088  101 GLU   A HG2  
3128 H HG3  . GLU   B 89  ? 0.57382  0.383791 0.484053 -0.0801365  0.183183    -0.0422049  101 GLU   A HG3  
3129 N N    . ILE   B 90  ? 0.513097 0.349306 0.526443 -0.101802   0.190678    -0.0255987  102 ILE   A N    
3130 C CA   . ILE   B 90  ? 0.515664 0.34554  0.519813 -0.105681   0.174018    -0.0156035  102 ILE   A CA   
3131 C C    . ILE   B 90  ? 0.525165 0.33357  0.460602 -0.0981344  0.16364     -0.00679131 102 ILE   A C    
3132 O O    . ILE   B 90  ? 0.588231 0.376586 0.47621  -0.0935269  0.181362    -0.00227688 102 ILE   A O    
3133 C CB   . ILE   B 90  ? 0.515281 0.336986 0.543907 -0.1165     0.195716    -0.00888498 102 ILE   A CB   
3134 C CG1  . ILE   B 90  ? 0.527229 0.374821 0.631665 -0.124778   0.207416    -0.0200049  102 ILE   A CG1  
3135 C CG2  . ILE   B 90  ? 0.473829 0.287769 0.496837 -0.118383   0.173968    -0.00306718 102 ILE   A CG2  
3136 C CD1  . ILE   B 90  ? 0.566765 0.409485 0.711333 -0.139092   0.228334    -0.0158818  102 ILE   A CD1  
3137 H H    . ILE   B 90  ? 0.546546 0.370633 0.536028 -0.100482   0.211451    -0.023727   102 ILE   A H    
3138 H HA   . ILE   B 90  ? 0.478101 0.323691 0.507252 -0.105386   0.153576    -0.0197007  102 ILE   A HA   
3139 H HB   . ILE   B 90  ? 0.550761 0.354054 0.548461 -0.116041   0.216996    -0.00106292 102 ILE   A HB   
3140 H HG12 . ILE   B 90  ? 0.496351 0.362494 0.627204 -0.122886   0.184728    -0.0276272  102 ILE   A HG12 
3141 H HG13 . ILE   B 90  ? 0.536606 0.388179 0.642755 -0.121956   0.22326     -0.0238064  102 ILE   A HG13 
3142 H HG21 . ILE   B 90  ? 0.496807 0.30224  0.538004 -0.12601    0.187184    0.00031648  102 ILE   A HG21 
3143 H HG22 . ILE   B 90  ? 0.453168 0.285513 0.500555 -0.117331   0.153112    -0.0105523  102 ILE   A HG22 
3144 H HG23 . ILE   B 90  ? 0.493363 0.292483 0.470934 -0.112182   0.167886    0.00423034  102 ILE   A HG23 
3145 H HD11 . ILE   B 90  ? 0.592826 0.413231 0.705692 -0.140496   0.250538    -0.00443568 102 ILE   A HD11 
3146 H HD12 . ILE   B 90  ? 0.553642 0.416046 0.748574 -0.143962   0.238103    -0.0240973  102 ILE   A HD12 
3147 H HD13 . ILE   B 90  ? 0.546022 0.388071 0.699488 -0.141753   0.210101    -0.0166983  102 ILE   A HD13 
3148 N N    . ALA   B 91  ? 0.462771 0.278006 0.393229 -0.0954275  0.134664    -0.00478439 103 ALA   A N    
3149 C CA   . ALA   B 91  ? 0.487947 0.291809 0.366572 -0.0878202  0.119048    0.00166086  103 ALA   A CA   
3150 C C    . ALA   B 91  ? 0.487169 0.289968 0.363221 -0.0867817  0.10321     0.00953567  103 ALA   A C    
3151 O O    . ALA   B 91  ? 0.500295 0.316463 0.415353 -0.0909961  0.0952572   0.00627446  103 ALA   A O    
3152 C CB   . ALA   B 91  ? 0.483724 0.301514 0.362063 -0.083831   0.0989979   -0.00604087 103 ALA   A CB   
3153 H H    . ALA   B 91  ? 0.450191 0.280152 0.412904 -0.0977949  0.123702    -0.00797063 103 ALA   A H    
3154 H HA   . ALA   B 91  ? 0.522238 0.308852 0.366636 -0.0849652  0.132554    0.00576579  103 ALA   A HA   
3155 H HB1  . ALA   B 91  ? 0.491183 0.306538 0.369129 -0.083221   0.108523    -0.0128533  103 ALA   A HB1  
3156 H HB2  . ALA   B 91  ? 0.451843 0.285287 0.360636 -0.0856462  0.0874969   -0.00753405 103 ALA   A HB2  
3157 H HB3  . ALA   B 91  ? 0.485786 0.299201 0.335121 -0.0796008  0.0880057   -0.00289762 103 ALA   A HB3  
3158 N N    . HIS   B 92  ? 0.479192 0.265395 0.306945 -0.0790177  0.098276    0.0183066   104 HIS   A N    
3159 C CA   . HIS   B 92  ? 0.47765  0.263016 0.295891 -0.0734276  0.0812054   0.0244929   104 HIS   A CA   
3160 C C    . HIS   B 92  ? 0.502161 0.306138 0.306489 -0.066277   0.0568429   0.0224176   104 HIS   A C    
3161 O O    . HIS   B 92  ? 0.531741 0.332869 0.308124 -0.0625176  0.0541385   0.0205311   104 HIS   A O    
3162 C CB   . HIS   B 92  ? 0.51943  0.272592 0.299397 -0.0677578  0.092681    0.0378372   104 HIS   A CB   
3163 C CG   . HIS   B 92  ? 0.519111 0.252742 0.320705 -0.076556   0.115492    0.0425868   104 HIS   A CG   
3164 N ND1  . HIS   B 92  ? 0.542076 0.240533 0.314273 -0.0733379  0.131508    0.0582664   104 HIS   A ND1  
3165 C CD2  . HIS   B 92  ? 0.483811 0.228676 0.339157 -0.088744   0.123251    0.0338625   104 HIS   A CD2  
3166 C CE1  . HIS   B 92  ? 0.563731 0.250895 0.373831 -0.0858598  0.151658    0.0593964   104 HIS   A CE1  
3167 N NE2  . HIS   B 92  ? 0.51762  0.23547  0.380988 -0.0955211  0.14551     0.0426689   104 HIS   A NE2  
3168 H H    . HIS   B 92  ? 0.512273 0.287657 0.310802 -0.0755858  0.105595    0.0197513   104 HIS   A H    
3169 H HA   . HIS   B 92  ? 0.463675 0.25837  0.312662 -0.0773068  0.077424    0.0210711   104 HIS   A HA   
3170 H HB2  . HIS   B 92  ? 0.540375 0.283856 0.287286 -0.063198   0.098029    0.0411456   104 HIS   A HB2  
3171 H HB3  . HIS   B 92  ? 0.511711 0.265862 0.28301  -0.0612435  0.0786187   0.0406242   104 HIS   A HB3  
3173 H HD2  . HIS   B 92  ? 0.459954 0.22688  0.343633 -0.0919511  0.115187    0.0240538   104 HIS   A HD2  
3174 H HE1  . HIS   B 92  ? 0.593054 0.254652 0.395877 -0.0875792  0.167212    0.070581    104 HIS   A HE1  
3176 N N    . LEU   B 93  ? 0.430683 0.254035 0.256187 -0.0645696  0.0404275   0.0216683   105 LEU   A N    
3177 C CA   . LEU   B 93  ? 0.447935 0.292925 0.269947 -0.0589348  0.0203393   0.0223367   105 LEU   A CA   
3178 C C    . LEU   B 93  ? 0.450129 0.295022 0.260476 -0.0490551  0.0115366   0.0274875   105 LEU   A C    
3179 O O    . LEU   B 93  ? 0.443085 0.287766 0.26907  -0.0481071  0.0120492   0.0257599   105 LEU   A O    
3180 C CB   . LEU   B 93  ? 0.386645 0.258913 0.244114 -0.0635399  0.0114081   0.0189999   105 LEU   A CB   
3181 C CG   . LEU   B 93  ? 0.40696  0.281544 0.285097 -0.0710509  0.0168499   0.0135943   105 LEU   A CG   
3182 C CD1  . LEU   B 93  ? 0.408228 0.305308 0.315752 -0.0726093  0.00660279  0.0154707   105 LEU   A CD1  
3183 C CD2  . LEU   B 93  ? 0.441844 0.306282 0.297839 -0.0715073  0.0171711   0.00937502  105 LEU   A CD2  
3184 H H    . LEU   B 93  ? 0.439893 0.264144 0.284458 -0.0670278  0.0425512   0.0202511   105 LEU   A H    
3185 H HA   . LEU   B 93  ? 0.448648 0.290128 0.251983 -0.0573023  0.018356    0.0219673   105 LEU   A HA   
3186 H HB2  . LEU   B 93  ? 0.389307 0.266681 0.260701 -0.0630231  0.0107102   0.0184144   105 LEU   A HB2  
3187 H HB3  . LEU   B 93  ? 0.391471 0.277302 0.246806 -0.0604188  0.00088371  0.0215744   105 LEU   A HB3  
3188 H HG   . LEU   B 93  ? 0.413592 0.279626 0.300348 -0.0739915  0.0277959   0.0106424   105 LEU   A HG   
3189 H HD11 . LEU   B 93  ? 0.390391 0.295889 0.307967 -0.0705487  0.00403603  0.0168191   105 LEU   A HD11 
3190 H HD12 . LEU   B 93  ? 0.399219 0.293944 0.320789 -0.0760905  0.0106839   0.0119671   105 LEU   A HD12 
3191 H HD13 . LEU   B 93  ? 0.396917 0.302676 0.300238 -0.0714971  -0.00156903 0.0190079   105 LEU   A HD13 
3192 H HD21 . LEU   B 93  ? 0.459805 0.308194 0.291703 -0.0691666  0.0253102   0.00923098  105 LEU   A HD21 
3193 H HD22 . LEU   B 93  ? 0.434094 0.30812  0.285928 -0.069603   0.0055628   0.0111573   105 LEU   A HD22 
3194 H HD23 . LEU   B 93  ? 0.435049 0.299655 0.305942 -0.0753167  0.0205641   0.00443899  105 LEU   A HD23 
3195 N N    . LEU   B 94  ? 0.439539 0.292089 0.229741 -0.0408405  -0.00082467 0.0306193   106 LEU   A N    
3196 C CA   . LEU   B 94  ? 0.418675 0.280398 0.203686 -0.0288278  -0.0120731  0.0342483   106 LEU   A CA   
3197 C C    . LEU   B 94  ? 0.44803  0.347154 0.252302 -0.0283349  -0.0264068  0.0331826   106 LEU   A C    
3198 O O    . LEU   B 94  ? 0.433881 0.340891 0.236805 -0.0322951  -0.0329168  0.0311516   106 LEU   A O    
3199 C CB   . LEU   B 94  ? 0.462827 0.301068 0.210842 -0.0164147  -0.0136909  0.0410261   106 LEU   A CB   
3200 C CG   . LEU   B 94  ? 0.500843 0.345053 0.246406 -0.00054578 -0.0245094  0.0442517   106 LEU   A CG   
3201 C CD1  . LEU   B 94  ? 0.498839 0.326606 0.256476 0.00112618  -0.0164356  0.0424856   106 LEU   A CD1  
3202 C CD2  . LEU   B 94  ? 0.55548  0.378839 0.261224 0.0141815   -0.0306     0.052765    106 LEU   A CD2  
3203 H H    . LEU   B 94  ? 0.445231 0.298394 0.226459 -0.0422957  -0.00283636 0.0290173   106 LEU   A H    
3204 H HA   . LEU   B 94  ? 0.42644  0.287322 0.22347  -0.0283288  -0.00934507 0.0328978   106 LEU   A HA   
3205 H HB2  . LEU   B 94  ? 0.487763 0.300566 0.224554 -0.0185519  -0.00135993 0.0440614   106 LEU   A HB2  
3206 H HB3  . LEU   B 94  ? 0.477873 0.319697 0.212258 -0.0154126  -0.0193846  0.0405407   106 LEU   A HB3  
3207 H HG   . LEU   B 94  ? 0.474731 0.347756 0.236862 0.00071098  -0.0339218  0.0413679   106 LEU   A HG   
3208 H HD11 . LEU   B 94  ? 0.475446 0.319272 0.255107 -0.00555434 -0.0158237  0.0363928   106 LEU   A HD11 
3209 H HD12 . LEU   B 94  ? 0.508336 0.337374 0.262477 0.013025    -0.0230141  0.0434538   106 LEU   A HD12 
3210 H HD13 . LEU   B 94  ? 0.520682 0.320662 0.268411 -0.00247496 -0.00559806 0.0458593   106 LEU   A HD13 
3211 H HD21 . LEU   B 94  ? 0.552356 0.389046 0.251904 0.0139738   -0.0391378  0.0506261   106 LEU   A HD21 
3212 H HD22 . LEU   B 94  ? 0.577199 0.371216 0.263909 0.0128548   -0.019048   0.0581435   106 LEU   A HD22 
3213 H HD23 . LEU   B 94  ? 0.557894 0.38419  0.264094 0.0258757   -0.0376505  0.0547891   106 LEU   A HD23 
3214 N N    . ILE   B 95  ? 0.384896 0.306681 0.207483 -0.0233463  -0.0304304  0.0338468   107 ILE   A N    
3215 C CA   . ILE   B 95  ? 0.39275  0.350878 0.241134 -0.0266388  -0.0363812  0.0361957   107 ILE   A CA   
3216 C C    . ILE   B 95  ? 0.378503 0.363027 0.232018 -0.0136305  -0.0428551  0.0387727   107 ILE   A C    
3217 O O    . ILE   B 95  ? 0.397822 0.381375 0.246409 -0.003018   -0.0405957  0.0364619   107 ILE   A O    
3218 C CB   . ILE   B 95  ? 0.349069 0.315212 0.216121 -0.0329529  -0.0306074  0.0364246   107 ILE   A CB   
3219 C CG1  . ILE   B 95  ? 0.35471  0.299135 0.224512 -0.0438188  -0.0235948  0.032675    107 ILE   A CG1  
3220 C CG2  . ILE   B 95  ? 0.333506 0.333308 0.222918 -0.0350902  -0.0330781  0.044304    107 ILE   A CG2  
3221 C CD1  . ILE   B 95  ? 0.342817 0.290582 0.229003 -0.0461441  -0.0204704  0.0303558   107 ILE   A CD1  
3222 H H    . ILE   B 95  ? 0.407442 0.3213   0.226035 -0.0174829  -0.0284248  0.0330725   107 ILE   A H    
3223 H HA   . ILE   B 95  ? 0.379717 0.341044 0.231792 -0.0325516  -0.0396159  0.0361027   107 ILE   A HA   
3224 H HB   . ILE   B 95  ? 0.357608 0.321114 0.220335 -0.0265892  -0.0294427  0.0337876   107 ILE   A HB   
3225 H HG12 . ILE   B 95  ? 0.350618 0.298488 0.227219 -0.0498256  -0.0249349  0.0337972   107 ILE   A HG12 
3226 H HG13 . ILE   B 95  ? 0.368227 0.29208  0.223067 -0.0430006  -0.0196717  0.0299525   107 ILE   A HG13 
3227 H HG21 . ILE   B 95  ? 0.327043 0.327818 0.224946 -0.039188   -0.0302998  0.0460467   107 ILE   A HG21 
3228 H HG22 . ILE   B 95  ? 0.333242 0.337974 0.230111 -0.0403224  -0.0360987  0.0460917   107 ILE   A HG22 
3229 H HG23 . ILE   B 95  ? 0.333551 0.349048 0.222222 -0.0266048  -0.0340658  0.0459998   107 ILE   A HG23 
3230 H HD11 . ILE   B 95  ? 0.34824  0.291963 0.229399 -0.0407971  -0.0204895  0.0264992   107 ILE   A HD11 
3231 H HD12 . ILE   B 95  ? 0.344358 0.279903 0.236066 -0.0525377  -0.0155572  0.0274267   107 ILE   A HD12 
3232 H HD13 . ILE   B 95  ? 0.333385 0.299715 0.2303   -0.0457869  -0.0236766  0.0352189   107 ILE   A HD13 
3233 N N    . LYS   B 96  ? 0.405237 0.414755 0.272156 -0.0137478  -0.0513721  0.0412558   108 LYS   A N    
3234 C CA   . LYS   B 96  ? 0.381743 0.42499  0.263506 -0.00187267 -0.0551728  0.0439037   108 LYS   A CA   
3235 C C    . LYS   B 96  ? 0.344948 0.41775  0.248882 -0.00468405 -0.0460119  0.0502261   108 LYS   A C    
3236 O O    . LYS   B 96  ? 0.34286  0.413903 0.256526 -0.0176547  -0.0409287  0.0547602   108 LYS   A O    
3237 C CB   . LYS   B 96  ? 0.395509 0.460708 0.293359 -0.00248296 -0.0680337  0.0432678   108 LYS   A CB   
3238 C CG   . LYS   B 96  ? 0.424079 0.463751 0.292859 0.00391788  -0.080477   0.0378543   108 LYS   A CG   
3239 C CD   . LYS   B 96  ? 0.504178 0.574276 0.394064 0.00562142  -0.0986306  0.0337157   108 LYS   A CD   
3240 C CE   . LYS   B 96  ? 0.579311 0.627639 0.43285  0.0179427   -0.114688   0.0288687   108 LYS   A CE   
3241 N NZ   . LYS   B 96  ? 0.634027 0.713098 0.512966 0.0144706   -0.135478   0.0199717   108 LYS   A NZ   
3242 H H    . LYS   B 96  ? 0.395113 0.40176  0.264394 -0.0212067  -0.0547522  0.0400274   108 LYS   A H    
3243 H HA   . LYS   B 96  ? 0.395571 0.42836  0.262529 0.00995736  -0.0554403  0.0415685   108 LYS   A HA   
3244 H HB2  . LYS   B 96  ? 0.384039 0.458506 0.300335 -0.0150449  -0.0676882  0.0445911   108 LYS   A HB2  
3245 H HB3  . LYS   B 96  ? 0.391421 0.48218  0.303777 0.00592188  -0.0693434  0.0449524   108 LYS   A HB3  
3246 H HG2  . LYS   B 96  ? 0.451937 0.477585 0.301896 0.0162991   -0.0798304  0.0386569   108 LYS   A HG2  
3247 H HG3  . LYS   B 96  ? 0.443839 0.460815 0.298805 -0.00453866 -0.0775414  0.0359075   108 LYS   A HG3  
3248 H HD2  . LYS   B 96  ? 0.484191 0.563454 0.393763 -0.00814459 -0.0995007  0.0317039   108 LYS   A HD2  
3249 H HD3  . LYS   B 96  ? 0.486283 0.583818 0.397027 0.0128588   -0.0994847  0.0359427   108 LYS   A HD3  
3250 H HE2  . LYS   B 96  ? 0.592406 0.637061 0.433829 0.0331157   -0.116469   0.0320858   108 LYS   A HE2  
3251 H HE3  . LYS   B 96  ? 0.591804 0.610061 0.418331 0.0136581   -0.10988    0.0280809   108 LYS   A HE3  
3252 H HZ1  . LYS   B 96  ? 0.606198 0.715467 0.514165 0.0182037   -0.138824   0.0210823   108 LYS   A HZ1  
3253 H HZ2  . LYS   B 96  ? 0.606139 0.686476 0.498503 0.00012372  -0.133884   0.0162122   108 LYS   A HZ2  
3254 H HZ3  . LYS   B 96  ? 0.641192 0.708328 0.494825 0.0234071   -0.147002   0.0165575   108 LYS   A HZ3  
3255 N N    . PRO   B 97  ? 0.373796 0.474202 0.283945 0.00964523  -0.0429455  0.0515176   109 PRO   A N    
3256 C CA   . PRO   B 97  ? 0.375391 0.50003  0.292005 0.0126738   -0.0318609  0.0574495   109 PRO   A CA   
3257 C C    . PRO   B 97  ? 0.339445 0.487586 0.283705 -0.00248432 -0.0253205  0.0716696   109 PRO   A C    
3258 O O    . PRO   B 97  ? 0.335664 0.487015 0.276445 -0.00493338 -0.0171422  0.0797644   109 PRO   A O    
3259 C CB   . PRO   B 97  ? 0.401617 0.554179 0.320888 0.0328632   -0.0293056  0.0544632   109 PRO   A CB   
3260 C CG   . PRO   B 97  ? 0.405211 0.543187 0.319364 0.0422305   -0.0414463  0.0467382   109 PRO   A CG   
3261 C CD   . PRO   B 97  ? 0.43109  0.536072 0.335325 0.0279444   -0.0495439  0.0461759   109 PRO   A CD   
3262 H HA   . PRO   B 97  ? 0.375111 0.481183 0.275263 0.0137629   -0.0303204  0.0532931   109 PRO   A HA   
3263 H HB2  . PRO   B 97  ? 0.390954 0.575332 0.33165  0.0314517   -0.0236131  0.0623677   109 PRO   A HB2  
3264 H HB3  . PRO   B 97  ? 0.403342 0.551528 0.306611 0.0423384   -0.0254339  0.0495014   109 PRO   A HB3  
3265 H HG2  . PRO   B 97  ? 0.41142  0.57689  0.345777 0.0462867   -0.0433721  0.0491068   109 PRO   A HG2  
3266 H HG3  . PRO   B 97  ? 0.424411 0.547601 0.321777 0.0547632   -0.0417855  0.0397222   109 PRO   A HG3  
3267 H HD2  . PRO   B 97  ? 0.414957 0.530207 0.330652 0.0263778   -0.0571637  0.0469985   109 PRO   A HD2  
3268 H HD3  . PRO   B 97  ? 0.426222 0.501774 0.308798 0.0331743   -0.0516747  0.0411803   109 PRO   A HD3  
3269 N N    . GLU   B 98  ? 0.342903 0.503318 0.314859 -0.0130867  -0.0308585  0.0742768   110 GLU   A N    
3270 C CA   . GLU   B 98  ? 0.344488 0.524318 0.351861 -0.0297306  -0.0248093  0.0875563   110 GLU   A CA   
3271 C C    . GLU   B 98  ? 0.319257 0.468103 0.318477 -0.0423535  -0.0233736  0.090979    110 GLU   A C    
3272 O O    . GLU   B 98  ? 0.324866 0.484714 0.345563 -0.0516885  -0.0144365  0.106202    110 GLU   A O    
3273 C CB   . GLU   B 98  ? 0.36593  0.561513 0.409287 -0.0401443  -0.0357885  0.0834939   110 GLU   A CB   
3274 C CG   . GLU   B 98  ? 0.41401  0.647563 0.475599 -0.0266238  -0.0384997  0.0806002   110 GLU   A CG   
3275 C CD   . GLU   B 98  ? 0.44785  0.668473 0.47671  -0.00520017 -0.0492662  0.0675237   110 GLU   A CD   
3276 O OE1  . GLU   B 98  ? 0.372596 0.551308 0.365496 -0.00356408 -0.0588224  0.0587092   110 GLU   A OE1  
3277 O OE2  . GLU   B 98  ? 0.492779 0.745053 0.532424 0.0113317   -0.0448317  0.0678812   110 GLU   A OE2  
3278 H H    . GLU   B 98  ? 0.347578 0.502941 0.317185 -0.00985652 -0.0395192  0.0672639   110 GLU   A H    
3279 H HA   . GLU   B 98  ? 0.343877 0.54816  0.359504 -0.0251981  -0.0140596  0.0971734   110 GLU   A HA   
3280 H HB2  . GLU   B 98  ? 0.373389 0.544986 0.403127 -0.0427219  -0.0464942  0.0735412   110 GLU   A HB2  
3281 H HB3  . GLU   B 98  ? 0.368417 0.573147 0.438784 -0.0530502  -0.031152   0.0919477   110 GLU   A HB3  
3282 H HG2  . GLU   B 98  ? 0.407608 0.656587 0.500073 -0.0354449  -0.0456529  0.0788693   110 GLU   A HG2  
3283 H HG3  . GLU   B 98  ? 0.40758  0.664782 0.478999 -0.022465   -0.0252372  0.0901047   110 GLU   A HG3  
3284 N N    . TYR   B 99  ? 0.321941 0.433658 0.294199 -0.0422283  -0.0302485  0.078871    111 TYR   A N    
3285 C CA   . TYR   B 99  ? 0.325752 0.411351 0.295293 -0.0520066  -0.0286559  0.0800098   111 TYR   A CA   
3286 C C    . TYR   B 99  ? 0.327479 0.402702 0.272618 -0.042052   -0.024885   0.078639    111 TYR   A C    
3287 O O    . TYR   B 99  ? 0.345484 0.398138 0.287071 -0.0468103  -0.0255234  0.0752595   111 TYR   A O    
3288 C CB   . TYR   B 99  ? 0.342669 0.398391 0.305782 -0.0600031  -0.0366167  0.0666377   111 TYR   A CB   
3289 C CG   . TYR   B 99  ? 0.357665 0.423468 0.347758 -0.0710192  -0.0443401  0.064426    111 TYR   A CG   
3290 C CD1  . TYR   B 99  ? 0.369568 0.454919 0.364151 -0.0658008  -0.0536479  0.0590111   111 TYR   A CD1  
3291 C CD2  . TYR   B 99  ? 0.343016 0.399784 0.358742 -0.0858729  -0.0443147  0.0662197   111 TYR   A CD2  
3292 C CE1  . TYR   B 99  ? 0.343165 0.439827 0.365943 -0.0759617  -0.0650062  0.0525991   111 TYR   A CE1  
3293 C CE2  . TYR   B 99  ? 0.351115 0.415615 0.395947 -0.0971623  -0.0537178  0.0599719   111 TYR   A CE2  
3294 C CZ   . TYR   B 99  ? 0.360899 0.447075 0.410045 -0.0928473  -0.0650408  0.0521411   111 TYR   A CZ   
3295 O OH   . TYR   B 99  ? 0.373729 0.471648 0.458078 -0.104722   -0.0773522  0.0434156   111 TYR   A OH   
3296 H H    . TYR   B 99  ? 0.326373 0.429314 0.283265 -0.0353033  -0.0352768  0.0701808   111 TYR   A H    
3297 H HA   . TYR   B 99  ? 0.326737 0.421986 0.316981 -0.0595668  -0.0246444  0.0905468   111 TYR   A HA   
3298 H HB2  . TYR   B 99  ? 0.346398 0.392389 0.289174 -0.0527342  -0.0393944  0.0589921   111 TYR   A HB2  
3299 H HB3  . TYR   B 99  ? 0.341524 0.38093  0.303547 -0.064509   -0.0340912  0.066285    111 TYR   A HB3  
3300 H HD1  . TYR   B 99  ? 0.3604   0.449344 0.33838  -0.0543934  -0.054062   0.0576456   111 TYR   A HD1  
3301 H HD2  . TYR   B 99  ? 0.345833 0.390093 0.360788 -0.0878862  -0.0389392  0.0704743   111 TYR   A HD2  
3302 H HE1  . TYR   B 99  ? 0.35793  0.470682 0.385778 -0.0711609  -0.0733075  0.0482414   111 TYR   A HE1  
3303 H HE2  . TYR   B 99  ? 0.357432 0.412491 0.421334 -0.107348   -0.0538063  0.059895    111 TYR   A HE2  
3305 N N    . ALA   B 100 ? 0.337018 0.428989 0.267571 -0.0273142  -0.0225057  0.0776207   112 ALA   A N    
3306 C CA   . ALA   B 100 ? 0.345437 0.429572 0.253529 -0.0164532  -0.0228573  0.0706873   112 ALA   A CA   
3307 C C    . ALA   B 100 ? 0.346456 0.462124 0.247708 -0.00406444 -0.0160654  0.0806198   112 ALA   A C    
3308 O O    . ALA   B 100 ? 0.372844 0.500478 0.282165 -0.00805982 -0.0104119  0.0974399   112 ALA   A O    
3309 C CB   . ALA   B 100 ? 0.348493 0.41249  0.239084 -0.00861674 -0.0276399  0.0539575   112 ALA   A CB   
3310 H H    . ALA   B 100 ? 0.336877 0.446833 0.273302 -0.0232758  -0.0213026  0.0796612   112 ALA   A H    
3311 H HA   . ALA   B 100 ? 0.340826 0.411755 0.251128 -0.0223573  -0.0241547  0.0709552   112 ALA   A HA   
3312 H HB1  . ALA   B 100 ? 0.347318 0.389907 0.238284 -0.0161438  -0.0295346  0.0497744   112 ALA   A HB1  
3313 H HB2  . ALA   B 100 ? 0.352318 0.426171 0.24275  -0.00280766 -0.0277135  0.0536531   112 ALA   A HB2  
3314 H HB3  . ALA   B 100 ? 0.35588  0.417744 0.23573  -0.00126639 -0.0286533  0.047556    112 ALA   A HB3  
3315 N N    . TYR   B 101 ? 0.347229 0.475186 0.232013 0.0124305   -0.0152114  0.0712999   113 TYR   A N    
3316 C CA   . TYR   B 101 ? 0.384895 0.543165 0.255676 0.0276944   -0.00696573 0.0776058   113 TYR   A CA   
3317 C C    . TYR   B 101 ? 0.362238 0.554936 0.246953 0.0344269   0.00409686  0.0851587   113 TYR   A C    
3318 O O    . TYR   B 101 ? 0.394377 0.617063 0.26789  0.0485437   0.015735    0.0915465   113 TYR   A O    
3319 C CB   . TYR   B 101 ? 0.398353 0.547305 0.238831 0.0444137   -0.0142673  0.05747     113 TYR   A CB   
3320 C CG   . TYR   B 101 ? 0.399224 0.524786 0.234672 0.0379953   -0.0250352  0.0511307   113 TYR   A CG   
3321 C CD1  . TYR   B 101 ? 0.388555 0.525496 0.215841 0.0399433   -0.0253239  0.064035    113 TYR   A CD1  
3322 C CD2  . TYR   B 101 ? 0.389394 0.481526 0.234377 0.0278459   -0.0333655  0.0365441   113 TYR   A CD2  
3323 C CE1  . TYR   B 101 ? 0.379633 0.4996   0.207647 0.0364981   -0.0376027  0.0565288   113 TYR   A CE1  
3324 C CE2  . TYR   B 101 ? 0.362778 0.438786 0.212705 0.0213116   -0.0416032  0.0301567   113 TYR   A CE2  
3325 C CZ   . TYR   B 101 ? 0.378577 0.469894 0.221682 0.0264943   -0.0456755  0.0379922   113 TYR   A CZ   
3326 O OH   . TYR   B 101 ? 0.359046 0.438324 0.214435 0.0205095   -0.0550407  0.0328925   113 TYR   A OH   
3327 H H    . TYR   B 101 ? 0.354062 0.470141 0.234968 0.0152593   -0.0192976  0.0606989   113 TYR   A H    
3328 H HA   . TYR   B 101 ? 0.378958 0.543265 0.251917 0.023309    -0.00324107 0.0909724   113 TYR   A HA   
3329 H HB2  . TYR   B 101 ? 0.399592 0.536998 0.239116 0.0481971   -0.0179665  0.0445768   113 TYR   A HB2  
3330 H HB3  . TYR   B 101 ? 0.415785 0.586458 0.242456 0.0566908   -0.00844148 0.0605078   113 TYR   A HB3  
3331 H HD1  . TYR   B 101 ? 0.403043 0.561338 0.221262 0.0470865   -0.0174523  0.0765284   113 TYR   A HD1  
3332 H HD2  . TYR   B 101 ? 0.379552 0.461015 0.227298 0.0270894   -0.0329568  0.0306674   113 TYR   A HD2  
3333 H HE1  . TYR   B 101 ? 0.396111 0.52431  0.21691  0.040542    -0.0395482  0.0656306   113 TYR   A HE1  
3334 H HE2  . TYR   B 101 ? 0.364882 0.420193 0.223038 0.0145138   -0.0444578  0.0206442   113 TYR   A HE2  
3336 N N    . GLY   B 102 ? 0.340125 0.533653 0.250974 0.02584     0.00113417  0.0845426   114 GLY   A N    
3337 C CA   . GLY   B 102 ? 0.346545 0.58085  0.284738 0.0282668   0.011905    0.0952012   114 GLY   A CA   
3338 C C    . GLY   B 102 ? 0.397768 0.655012 0.32736  0.0514857   0.0164437   0.084439    114 GLY   A C    
3339 O O    . GLY   B 102 ? 0.396676 0.633517 0.297636 0.0666795   0.00947049  0.0663382   114 GLY   A O    
3340 H H    . GLY   B 102 ? 0.335973 0.50696  0.247882 0.0193707   -0.0074046  0.0773864   114 GLY   A H    
3341 H HA2  . GLY   B 102 ? 0.342214 0.574519 0.302536 0.017907    0.0062826   0.095451    114 GLY   A HA2  
3342 H HA3  . GLY   B 102 ? 0.358152 0.609067 0.303315 0.0242522   0.0225479   0.11036     114 GLY   A HA3  
3343 N N    . SER   B 103 ? 0.450439 0.753389 0.407104 0.0550732   0.0317166   0.0967818   115 SER   A N    
3344 C CA   . SER   B 103 ? 0.464716 0.796595 0.4189   0.0791807   0.039461    0.0871475   115 SER   A CA   
3345 C C    . SER   B 103 ? 0.477073 0.812723 0.388631 0.0977722   0.0501789   0.0833911   115 SER   A C    
3346 O O    . SER   B 103 ? 0.482525 0.816629 0.374155 0.119942    0.0479757   0.0639352   115 SER   A O    
3347 C CB   . SER   B 103 ? 0.483989 0.868746 0.486642 0.0793584   0.0533414   0.0984225   115 SER   A CB   
3348 O OG   . SER   B 103 ? 0.515492 0.926878 0.538103 0.0654551   0.0732173   0.123448    115 SER   A OG   
3349 H H    . SER   B 103 ? 0.431382 0.747746 0.410974 0.0423969   0.0382291   0.111103    115 SER   A H    
3350 H HA   . SER   B 103 ? 0.462402 0.774362 0.409395 0.0859326   0.026878    0.0723152   115 SER   A HA   
3351 H HB2  . SER   B 103 ? 0.497922 0.901548 0.495456 0.0981662   0.0599395   0.0908607   115 SER   A HB2  
3352 H HB3  . SER   B 103 ? 0.470746 0.852795 0.498273 0.0713091   0.0417282   0.0951946   115 SER   A HB3  
3354 N N    . ALA   B 104 ? 0.4726   0.808527 0.367707 0.0900796   0.058782    0.10021     116 ALA   A N    
3355 C CA   . ALA   B 104 ? 0.535661 0.878163 0.384351 0.110691    0.0663134   0.0956995   116 ALA   A CA   
3356 C C    . ALA   B 104 ? 0.485503 0.785465 0.298594 0.11836     0.0443313   0.0684467   116 ALA   A C    
3357 O O    . ALA   B 104 ? 0.463669 0.766803 0.240346 0.14103     0.0440838   0.0507109   116 ALA   A O    
3358 C CB   . ALA   B 104 ? 0.557084 0.912708 0.397637 0.102596    0.0809896   0.125053    116 ALA   A CB   
3359 H H    . ALA   B 104 ? 0.471202 0.802711 0.382996 0.0734046   0.0589574   0.1138      116 ALA   A H    
3360 H HA   . ALA   B 104 ? 0.534364 0.902819 0.381809 0.126614    0.077197    0.0911302   116 ALA   A HA   
3361 H HB1  . ALA   B 104 ? 0.554696 0.937569 0.42167  0.0973256   0.0970556   0.142265    116 ALA   A HB1  
3362 H HB2  . ALA   B 104 ? 0.541098 0.872347 0.386707 0.0877648   0.0706708   0.129609    116 ALA   A HB2  
3363 H HB3  . ALA   B 104 ? 0.582056 0.942914 0.386441 0.118233    0.0847642   0.122329    116 ALA   A HB3  
3364 N N    . GLY   B 105 ? 0.471328 0.73363  0.296494 0.0994329   0.0273987   0.0647512   117 GLY   A N    
3365 C CA   . GLY   B 105 ? 0.494522 0.717606 0.296304 0.101306    0.00902236  0.0425646   117 GLY   A CA   
3366 C C    . GLY   B 105 ? 0.501909 0.724896 0.274713 0.104688    0.00582662  0.0455952   117 GLY   A C    
3367 O O    . GLY   B 105 ? 0.472414 0.716112 0.244144 0.100828    0.0171242   0.0705857   117 GLY   A O    
3368 H H    . GLY   B 105 ? 0.454391 0.715979 0.304631 0.0847121   0.0277514   0.0756177   117 GLY   A H    
3369 H HA2  . GLY   B 105 ? 0.468633 0.668627 0.28561  0.0870699   0.00099595  0.0421456   117 GLY   A HA2  
3370 H HA3  . GLY   B 105 ? 0.499939 0.718848 0.291238 0.11524     0.0059389   0.0249574   117 GLY   A HA3  
3371 N N    . SER   B 106 ? 0.511633 0.712528 0.261468 0.114052    -0.0100068  0.0196483   118 SER   A N    
3372 C CA   . SER   B 106 ? 0.481551 0.683925 0.202475 0.121328    -0.0193295  0.0162284   118 SER   A CA   
3373 C C    . SER   B 106 ? 0.503413 0.69661  0.198407 0.140961    -0.0327124  -0.0194576  118 SER   A C    
3374 O O    . SER   B 106 ? 0.533353 0.699576 0.233115 0.135213    -0.0516887  -0.0400134  118 SER   A O    
3375 C CB   . SER   B 106 ? 0.469443 0.647035 0.207527 0.102246    -0.0325169  0.0201452   118 SER   A CB   
3376 O OG   . SER   B 106 ? 0.524899 0.710104 0.237748 0.111401    -0.0427121  0.0208601   118 SER   A OG   
3377 H H    . SER   B 106 ? 0.498181 0.68216  0.252253 0.116098    -0.0162578  0.00313968  118 SER   A H    
3378 H HA   . SER   B 106 ? 0.506025 0.732941 0.21233  0.128474    -0.00839937 0.0329046   118 SER   A HA   
3379 H HB2  . SER   B 106 ? 0.454005 0.632348 0.211915 0.0889561   -0.0249062  0.0392307   118 SER   A HB2  
3380 H HB3  . SER   B 106 ? 0.464769 0.6193   0.214481 0.0965033   -0.0418783  0.00314911  118 SER   A HB3  
3382 N N    . LEU   B 107 ? 0.52227  0.739415 0.194299 0.163266    -0.0217561  -0.0265619  119 LEU   A N    
3383 C CA   . LEU   B 107 ? 0.566058 0.773623 0.21619  0.184499    -0.0322795  -0.0639733  119 LEU   A CA   
3384 C C    . LEU   B 107 ? 0.627841 0.837922 0.240034 0.197756    -0.0497545  -0.0823774  119 LEU   A C    
3385 O O    . LEU   B 107 ? 0.633583 0.870326 0.217065 0.205278    -0.0438875  -0.0625654  119 LEU   A O    
3386 C CB   . LEU   B 107 ? 0.600984 0.834788 0.242403 0.205689    -0.0134846  -0.0665446  119 LEU   A CB   
3387 C CG   . LEU   B 107 ? 0.650065 0.869777 0.332677 0.196484    -0.00834633 -0.063801   119 LEU   A CG   
3388 C CD1  . LEU   B 107 ? 0.726014 0.982305 0.413134 0.214255    0.0128314   -0.0573342  119 LEU   A CD1  
3389 C CD2  . LEU   B 107 ? 0.664966 0.839016 0.354098 0.198489    -0.0271769  -0.0968308  119 LEU   A CD2  
3390 H H    . LEU   B 107 ? 0.527543 0.768659 0.199086 0.165883    -0.00607586 -0.00796086 119 LEU   A H    
3391 H HA   . LEU   B 107 ? 0.558744 0.737381 0.23002  0.174795    -0.0420258  -0.0768302  119 LEU   A HA   
3392 H HB2  . LEU   B 107 ? 0.617242 0.880945 0.249379 0.209244    0.00199912  -0.0452501  119 LEU   A HB2  
3393 H HB3  . LEU   B 107 ? 0.646069 0.877755 0.264173 0.223749    -0.0198141  -0.0916031  119 LEU   A HB3  
3394 H HG   . LEU   B 107 ? 0.613665 0.827709 0.31877  0.176796    -0.00768161 -0.0447518  119 LEU   A HG   
3395 H HD11 . LEU   B 107 ? 0.70061  0.985943 0.387336 0.211449    0.0268448   -0.0350877  119 LEU   A HD11 
3396 H HD12 . LEU   B 107 ? 0.684867 0.931813 0.398981 0.208634    0.0125669   -0.0553963  119 LEU   A HD12 
3397 H HD13 . LEU   B 107 ? 0.736725 0.997799 0.401538 0.234982    0.0130863   -0.0775623  119 LEU   A HD13 
3398 H HD21 . LEU   B 107 ? 0.648968 0.800407 0.345679 0.183232    -0.0386247  -0.0981317  119 LEU   A HD21 
3399 H HD22 . LEU   B 107 ? 0.694877 0.870642 0.361832 0.216585    -0.0309868  -0.118803   119 LEU   A HD22 
3400 H HD23 . LEU   B 107 ? 0.651558 0.816856 0.360654 0.197417    -0.0237698  -0.094796   119 LEU   A HD23 
3401 N N    . PRO   B 108 ? 0.656698 0.841589 0.26459  0.20502     -0.0711721  -0.122186   120 PRO   A N    
3402 C CA   . PRO   B 108 ? 0.651717 0.803495 0.28683  0.202254    -0.0747334  -0.1456     120 PRO   A CA   
3403 C C    . PRO   B 108 ? 0.597483 0.710145 0.278225 0.172717    -0.0831774  -0.141766   120 PRO   A C    
3404 O O    . PRO   B 108 ? 0.63035  0.710631 0.333225 0.168564    -0.0850155  -0.155438   120 PRO   A O    
3405 C CB   . PRO   B 108 ? 0.695516 0.837333 0.304667 0.223879    -0.0939347  -0.191251   120 PRO   A CB   
3406 C CG   . PRO   B 108 ? 0.725069 0.894576 0.294138 0.23543     -0.104186   -0.191797   120 PRO   A CG   
3407 C CD   . PRO   B 108 ? 0.690312 0.879356 0.263746 0.220149    -0.0934056  -0.148154   120 PRO   A CD   
3408 H HA   . PRO   B 108 ? 0.643686 0.805934 0.281275 0.208733    -0.05959    -0.136799   120 PRO   A HA   
3409 H HB2  . PRO   B 108 ? 0.694512 0.805557 0.327216 0.213099    -0.107638   -0.209056   120 PRO   A HB2  
3410 H HB3  . PRO   B 108 ? 0.718932 0.867223 0.315044 0.241383    -0.0856962  -0.201711   120 PRO   A HB3  
3411 H HG2  . PRO   B 108 ? 0.7377   0.891795 0.31108  0.23281     -0.125236   -0.215133   120 PRO   A HG2  
3412 H HG3  . PRO   B 108 ? 0.759528 0.949817 0.293346 0.257884    -0.0981789  -0.199591   120 PRO   A HG3  
3413 H HD2  . PRO   B 108 ? 0.680713 0.856887 0.270976 0.206316    -0.107622   -0.149063   120 PRO   A HD2  
3414 H HD3  . PRO   B 108 ? 0.717702 0.934021 0.256265 0.234924    -0.0867246  -0.137211   120 PRO   A HD3  
3415 N N    . LYS   B 109 ? 0.587773 0.701165 0.280768 0.154316    -0.0885788  -0.125013   121 LYS   A N    
3416 C CA   . LYS   B 109 ? 0.579344 0.658038 0.312743 0.12859     -0.0954162  -0.125213   121 LYS   A CA   
3417 C C    . LYS   B 109 ? 0.545016 0.609762 0.301347 0.114962    -0.0786689  -0.102449   121 LYS   A C    
3418 O O    . LYS   B 109 ? 0.537832 0.56679  0.317845 0.103069    -0.080435   -0.109763   121 LYS   A O    
3419 C CB   . LYS   B 109 ? 0.573776 0.659676 0.318008 0.114156    -0.103688   -0.112371   121 LYS   A CB   
3420 C CG   . LYS   B 109 ? 0.591503 0.64468  0.379784 0.0886226   -0.108185   -0.115211   121 LYS   A CG   
3421 C CD   . LYS   B 109 ? 0.655325 0.718979 0.458405 0.0773415   -0.115674   -0.103762   121 LYS   A CD   
3422 C CE   . LYS   B 109 ? 0.691638 0.778249 0.474741 0.0932991   -0.13735    -0.120409   121 LYS   A CE   
3423 N NZ   . LYS   B 109 ? 0.726148 0.797057 0.535281 0.0891144   -0.15824    -0.156378   121 LYS   A NZ   
3424 H H    . LYS   B 109 ? 0.593061 0.728645 0.269141 0.158418    -0.0869458  -0.112394   121 LYS   A H    
3425 H HA   . LYS   B 109 ? 0.59388  0.651534 0.334983 0.129809    -0.106078   -0.14998    121 LYS   A HA   
3426 H HB2  . LYS   B 109 ? 0.605795 0.702909 0.33349  0.124822    -0.116577   -0.126467   121 LYS   A HB2  
3427 H HB3  . LYS   B 109 ? 0.565686 0.668249 0.304711 0.112047    -0.0930137  -0.0876154  121 LYS   A HB3  
3428 H HG2  . LYS   B 109 ? 0.577114 0.618505 0.376329 0.079756    -0.095983   -0.101545   121 LYS   A HG2  
3429 H HG3  . LYS   B 109 ? 0.613429 0.649403 0.411215 0.0890759   -0.117789   -0.138854   121 LYS   A HG3  
3430 H HD2  . LYS   B 109 ? 0.619414 0.693804 0.418175 0.0743423   -0.104973   -0.0796824  121 LYS   A HD2  
3431 H HD3  . LYS   B 109 ? 0.623234 0.667552 0.455616 0.062398    -0.11687    -0.10835    121 LYS   A HD3  
3432 H HE2  . LYS   B 109 ? 0.714824 0.816681 0.465324 0.110454    -0.136745   -0.122754   121 LYS   A HE2  
3433 H HE3  . LYS   B 109 ? 0.682921 0.781163 0.468307 0.0903218   -0.138565   -0.104467   121 LYS   A HE3  
3434 H HZ1  . LYS   B 109 ? 0.73149  0.787636 0.540897 0.0911521   -0.156864   -0.170995   121 LYS   A HZ1  
3435 H HZ2  . LYS   B 109 ? 0.701072 0.76107  0.541809 0.0734943   -0.157497   -0.153322   121 LYS   A HZ2  
3436 H HZ3  . LYS   B 109 ? 0.742579 0.829364 0.537705 0.100356    -0.173574   -0.167884   121 LYS   A HZ3  
3437 N N    . ILE   B 110 ? 0.492347 0.584681 0.243835 0.115005    -0.0631053  -0.0735183  122 ILE   A N    
3438 C CA   . ILE   B 110 ? 0.466468 0.548106 0.241058 0.10148     -0.0523513  -0.0544431  122 ILE   A CA   
3439 C C    . ILE   B 110 ? 0.509274 0.61731  0.276494 0.118225    -0.0397138  -0.0478978  122 ILE   A C    
3440 O O    . ILE   B 110 ? 0.505827 0.65176  0.25988  0.127119    -0.029659   -0.0349372  122 ILE   A O    
3441 C CB   . ILE   B 110 ? 0.418591 0.508476 0.208044 0.0817676   -0.0473533  -0.0276144  122 ILE   A CB   
3442 C CG1  . ILE   B 110 ? 0.461416 0.535673 0.261227 0.0675942   -0.0579438  -0.030996   122 ILE   A CG1  
3443 C CG2  . ILE   B 110 ? 0.432971 0.514358 0.24244  0.0698153   -0.039246   -0.0119798  122 ILE   A CG2  
3444 C CD1  . ILE   B 110 ? 0.479836 0.515427 0.299808 0.0550906   -0.0636199  -0.0460413  122 ILE   A CD1  
3445 H H    . ILE   B 110 ? 0.509129 0.626677 0.243549 0.123379    -0.0595868  -0.0658732  122 ILE   A H    
3446 H HA   . ILE   B 110 ? 0.469935 0.523016 0.255924 0.095661    -0.0565555  -0.0638449  122 ILE   A HA   
3447 H HB   . ILE   B 110 ? 0.441585 0.558036 0.220746 0.0880535   -0.0415013  -0.0163351  122 ILE   A HB   
3448 H HG12 . ILE   B 110 ? 0.47089  0.555721 0.256772 0.0769929   -0.0651929  -0.0400571  122 ILE   A HG12 
3449 H HG13 . ILE   B 110 ? 0.436919 0.517828 0.245153 0.0579736   -0.0534314  -0.0135523  122 ILE   A HG13 
3450 H HG21 . ILE   B 110 ? 0.404772 0.481452 0.225281 0.0558518   -0.038803   -0.00132154 122 ILE   A HG21 
3451 H HG22 . ILE   B 110 ? 0.42584  0.484164 0.238411 0.0701623   -0.0421931  -0.0219146  122 ILE   A HG22 
3452 H HG23 . ILE   B 110 ? 0.420816 0.524717 0.229364 0.0765557   -0.0318858  -0.00314143 122 ILE   A HG23 
3453 H HD11 . ILE   B 110 ? 0.459769 0.484139 0.28837  0.0471941   -0.0566835  -0.0362339  122 ILE   A HD11 
3454 H HD12 . ILE   B 110 ? 0.467655 0.498956 0.298263 0.0466787   -0.0691476  -0.0481547  122 ILE   A HD12 
3455 H HD13 . ILE   B 110 ? 0.491482 0.517163 0.306295 0.0636793   -0.0684099  -0.0635622  122 ILE   A HD13 
3456 N N    . PRO   B 111 ? 0.515061 0.606685 0.292505 0.123881    -0.038206   -0.0538329  123 PRO   A N    
3457 C CA   . PRO   B 111 ? 0.520605 0.641836 0.298706 0.141756    -0.0270819  -0.0492276  123 PRO   A CA   
3458 C C    . PRO   B 111 ? 0.473768 0.624395 0.273277 0.129396    -0.0164935  -0.0203261  123 PRO   A C    
3459 O O    . PRO   B 111 ? 0.435134 0.575548 0.246866 0.1075      -0.0189202  -0.00571514 123 PRO   A O    
3460 C CB   . PRO   B 111 ? 0.589704 0.675363 0.375523 0.150874    -0.0333058  -0.064289   123 PRO   A CB   
3461 C CG   . PRO   B 111 ? 0.5916   0.632731 0.386516 0.129141    -0.0420255  -0.0628271  123 PRO   A CG   
3462 C CD   . PRO   B 111 ? 0.569322 0.612526 0.358842 0.115662    -0.0466068  -0.0651695  123 PRO   A CD   
3463 H HA   . PRO   B 111 ? 0.546176 0.687939 0.307322 0.156698    -0.0233964  -0.0571199  123 PRO   A HA   
3464 H HB2  . PRO   B 111 ? 0.572737 0.670946 0.369835 0.155293    -0.0285759  -0.0547718  123 PRO   A HB2  
3465 H HB3  . PRO   B 111 ? 0.605959 0.685699 0.38019  0.16623     -0.0360198  -0.0836409  123 PRO   A HB3  
3466 H HG2  . PRO   B 111 ? 0.567965 0.608422 0.373461 0.119253    -0.0397401  -0.0470576  123 PRO   A HG2  
3467 H HG3  . PRO   B 111 ? 0.604388 0.615503 0.399301 0.134257    -0.0469651  -0.0761887  123 PRO   A HG3  
3468 H HD2  . PRO   B 111 ? 0.540027 0.57101  0.340245 0.0987317   -0.0470774  -0.0545119  123 PRO   A HD2  
3469 H HD3  . PRO   B 111 ? 0.579081 0.605881 0.3632   0.120008    -0.0539969  -0.0842983  123 PRO   A HD3  
3470 N N    . SER   B 112 ? 0.461475 0.650471 0.268382 0.144319    -0.00444267 -0.0146953  124 SER   A N    
3471 C CA   . SER   B 112 ? 0.436688 0.655689 0.274498 0.133425    0.00398245  0.00827552  124 SER   A CA   
3472 C C    . SER   B 112 ? 0.418962 0.607561 0.274619 0.122682    -0.00879715 0.00890683  124 SER   A C    
3473 O O    . SER   B 112 ? 0.461839 0.620004 0.309669 0.133951    -0.0175485  -0.00575527 124 SER   A O    
3474 C CB   . SER   B 112 ? 0.472382 0.739699 0.323629 0.151194    0.0193755   0.0121148   124 SER   A CB   
3475 O OG   . SER   B 112 ? 0.532481 0.792973 0.38442  0.173835    0.0149375   -0.00682271 124 SER   A OG   
3476 H H    . SER   B 112 ? 0.487472 0.685409 0.282407 0.161891    -0.00140992 -0.0268558  124 SER   A H    
3477 H HA   . SER   B 112 ? 0.429584 0.655529 0.269438 0.119795    0.0073824   0.0216831   124 SER   A HA   
3478 H HB2  . SER   B 112 ? 0.458248 0.74549  0.336015 0.140745    0.023551    0.0269542   124 SER   A HB2  
3479 H HB3  . SER   B 112 ? 0.489751 0.776088 0.3249   0.158454    0.0294281   0.0135476   124 SER   A HB3  
3481 N N    . ASN   B 113 ? 0.381005 0.578476 0.258254 0.102433    -0.0088293  0.0263888   125 ASN   A N    
3482 C CA   . ASN   B 113 ? 0.373988 0.555476 0.267402 0.0932129   -0.0199572  0.0298999   125 ASN   A CA   
3483 C C    . ASN   B 113 ? 0.380603 0.505551 0.2513   0.0879697   -0.0309741  0.020729    125 ASN   A C    
3484 O O    . ASN   B 113 ? 0.395622 0.498469 0.264556 0.0928901   -0.0401029  0.0189489   125 ASN   A O    
3485 C CB   . ASN   B 113 ? 0.400426 0.610834 0.315215 0.110439    -0.0210404  0.0282892   125 ASN   A CB   
3486 C CG   . ASN   B 113 ? 0.360618 0.630227 0.308628 0.108928    -0.00671293 0.0407089   125 ASN   A CG   
3487 O OD1  . ASN   B 113 ? 0.393665 0.697664 0.353893 0.128855    0.00200549  0.0367379   125 ASN   A OD1  
3488 N ND2  . ASN   B 113 ? 0.362954 0.643585 0.332641 0.085547    -0.00509947 0.0553151   125 ASN   A ND2  
3489 H H    . ASN   B 113 ? 0.378545 0.592328 0.259638 0.0942528   -0.00202566 0.0366485   125 ASN   A H    
3490 H HA   . ASN   B 113 ? 0.362028 0.553106 0.269723 0.0778715   -0.0188482  0.0407207   125 ASN   A HA   
3491 H HB2  . ASN   B 113 ? 0.406136 0.609112 0.308746 0.127597    -0.0208859  0.0174876   125 ASN   A HB2  
3492 H HB3  . ASN   B 113 ? 0.386019 0.58455  0.307193 0.106404    -0.0311783  0.0297709   125 ASN   A HB3  
3493 H HD21 . ASN   B 113 ? 0.354733 0.665834 0.343441 0.0819316   0.00570937  0.0646786   125 ASN   A HD21 
3494 H HD22 . ASN   B 113 ? 0.349291 0.606573 0.315782 0.0735861   -0.0141362  0.055808    125 ASN   A HD22 
3495 N N    . ALA   B 114 ? 0.383324 0.488143 0.239732 0.0773086   -0.0295972  0.0177203   126 ALA   A N    
3496 C CA   . ALA   B 114 ? 0.427575 0.483488 0.269912 0.0704652   -0.0358572  0.00899451  126 ALA   A CA   
3497 C C    . ALA   B 114 ? 0.362179 0.399243 0.209373 0.0505592   -0.0383058  0.0192206   126 ALA   A C    
3498 O O    . ALA   B 114 ? 0.369869 0.423656 0.22847  0.0368524   -0.0357627  0.0285164   126 ALA   A O    
3499 C CB   . ALA   B 114 ? 0.425969 0.473191 0.258016 0.0691453   -0.0356602  -0.0020465  126 ALA   A CB   
3500 H H    . ALA   B 114 ? 0.384273 0.507416 0.241679 0.0744523   -0.0242871  0.0219932   126 ALA   A H    
3501 H HA   . ALA   B 114 ? 0.424564 0.464244 0.261445 0.0813943   -0.0389107  0.00250361  126 ALA   A HA   
3502 H HB1  . ALA   B 114 ? 0.442272 0.499254 0.267189 0.0833941   -0.0351045  -0.0113134  126 ALA   A HB1  
3503 H HB2  . ALA   B 114 ? 0.415377 0.477887 0.251286 0.0607012   -0.0332613  0.00551452  126 ALA   A HB2  
3504 H HB3  . ALA   B 114 ? 0.433454 0.450247 0.262855 0.0631973   -0.0388453  -0.00805099 126 ALA   A HB3  
3505 N N    . THR   B 115 ? 0.395778 0.394766 0.23172  0.0504076   -0.0420648  0.0173302   127 THR   A N    
3506 C CA   . THR   B 115 ? 0.377824 0.351959 0.209182 0.0339104   -0.0417237  0.0234159   127 THR   A CA   
3507 C C    . THR   B 115 ? 0.369082 0.312696 0.197475 0.0241983   -0.0364496  0.0163462   127 THR   A C    
3508 O O    . THR   B 115 ? 0.431202 0.354611 0.255852 0.0317871   -0.0361984  0.00632533  127 THR   A O    
3509 C CB   . THR   B 115 ? 0.407594 0.359981 0.223504 0.0422078   -0.0470083  0.0278952   127 THR   A CB   
3510 O OG1  . THR   B 115 ? 0.409333 0.396939 0.236477 0.0494605   -0.0551026  0.0324144   127 THR   A OG1  
3511 C CG2  . THR   B 115 ? 0.452116 0.375799 0.253572 0.0286919   -0.0445128  0.033353    127 THR   A CG2  
3512 H H    . THR   B 115 ? 0.40517  0.392587 0.234692 0.0621838   -0.0438683  0.0124921   127 THR   A H    
3513 H HA   . THR   B 115 ? 0.363622 0.356255 0.204882 0.0251498   -0.0416541  0.0287586   127 THR   A HA   
3514 H HB   . THR   B 115 ? 0.433149 0.366792 0.240993 0.052635    -0.0469162  0.0242515   127 THR   A HB   
3516 H HG21 . THR   B 115 ? 0.459355 0.372672 0.246685 0.0360278   -0.0492169  0.037456    127 THR   A HG21 
3517 H HG22 . THR   B 115 ? 0.423729 0.363457 0.234585 0.0186364   -0.0448058  0.0347313   127 THR   A HG22 
3518 H HG23 . THR   B 115 ? 0.448132 0.347748 0.245302 0.0235256   -0.0376772  0.0310832   127 THR   A HG23 
3519 N N    . LEU   B 116 ? 0.374012 0.318289 0.21045  0.00781358  -0.0329989  0.0195991   128 LEU   A N    
3520 C CA   . LEU   B 116 ? 0.393157 0.317358 0.236889 -0.00289005 -0.0282522  0.0126273   128 LEU   A CA   
3521 C C    . LEU   B 116 ? 0.402545 0.29685  0.241016 -0.0148216  -0.0199966  0.0172847   128 LEU   A C    
3522 O O    . LEU   B 116 ? 0.382929 0.279875 0.21291  -0.0182525  -0.0198945  0.0249174   128 LEU   A O    
3523 C CB   . LEU   B 116 ? 0.376799 0.327137 0.236185 -0.00941435 -0.0298898  0.0126758   128 LEU   A CB   
3524 C CG   . LEU   B 116 ? 0.439984 0.413292 0.299208 0.00231368  -0.0355797  0.00512375  128 LEU   A CG   
3525 C CD1  . LEU   B 116 ? 0.519884 0.51311  0.369141 0.0173681   -0.0366452  0.00723557  128 LEU   A CD1  
3526 C CD2  . LEU   B 116 ? 0.416395 0.411913 0.285431 -0.00244663 -0.0375039  0.00995554  128 LEU   A CD2  
3527 H H    . LEU   B 116 ? 0.361974 0.320513 0.202866 0.00314053  -0.0339593  0.0256342   128 LEU   A H    
3528 H HA   . LEU   B 116 ? 0.402887 0.315593 0.245747 0.00273797  -0.0290485  0.00451389  128 LEU   A HA   
3529 H HB2  . LEU   B 116 ? 0.377371 0.342085 0.239182 -0.0123775  -0.0299392  0.0209756   128 LEU   A HB2  
3530 H HB3  . LEU   B 116 ? 0.386482 0.324591 0.254096 -0.0181781  -0.0270335  0.0097836   128 LEU   A HB3  
3531 H HG   . LEU   B 116 ? 0.449621 0.407541 0.309521 0.00397471  -0.0373671  -0.00608499 128 LEU   A HG   
3532 H HD11 . LEU   B 116 ? 0.507035 0.483915 0.350011 0.0240202   -0.0374968  0.00069746  128 LEU   A HD11 
3533 H HD12 . LEU   B 116 ? 0.494599 0.507394 0.341603 0.0242808   -0.0380431  0.00493399  128 LEU   A HD12 
3534 H HD13 . LEU   B 116 ? 0.484218 0.488068 0.336414 0.0146865   -0.034966   0.0171976   128 LEU   A HD13 
3535 H HD21 . LEU   B 116 ? 0.416211 0.399381 0.29519  -0.0110836  -0.0371526  0.00713566  128 LEU   A HD21 
3536 H HD22 . LEU   B 116 ? 0.410212 0.419263 0.281679 -0.00497232 -0.0351049  0.0212985   128 LEU   A HD22 
3537 H HD23 . LEU   B 116 ? 0.42653  0.435043 0.290118 0.00643903  -0.0415498  0.00459642  128 LEU   A HD23 
3538 N N    . PHE   B 117 ? 0.392467 0.260573 0.23902  -0.0218129  -0.0124673  0.0108713   129 PHE   A N    
3539 C CA   . PHE   B 117 ? 0.423178 0.266401 0.268627 -0.0336101  0.00060244  0.0150852   129 PHE   A CA   
3540 C C    . PHE   B 117 ? 0.439477 0.289378 0.316262 -0.0461332  0.00499792  0.00655948  129 PHE   A C    
3541 O O    . PHE   B 117 ? 0.444089 0.298579 0.341327 -0.0457903  -0.00069294 -0.00524809 129 PHE   A O    
3542 C CB   . PHE   B 117 ? 0.439155 0.242978 0.269675 -0.02992    0.00926797  0.0190717   129 PHE   A CB   
3543 C CG   . PHE   B 117 ? 0.477185 0.254561 0.305395 -0.0422048  0.0285541   0.0256288   129 PHE   A CG   
3544 C CD1  . PHE   B 117 ? 0.53059  0.29637  0.325409 -0.0400173  0.0353516   0.0374938   129 PHE   A CD1  
3545 C CD2  . PHE   B 117 ? 0.498302 0.263551 0.358345 -0.0552324  0.0407494   0.0188561   129 PHE   A CD2  
3546 C CE1  . PHE   B 117 ? 0.525429 0.267742 0.312898 -0.0489557  0.0566889   0.0437802   129 PHE   A CE1  
3547 C CE2  . PHE   B 117 ? 0.524737 0.270232 0.386088 -0.0662789  0.0628937   0.0259607   129 PHE   A CE2  
3548 C CZ   . PHE   B 117 ? 0.529722 0.26327  0.351546 -0.0623831  0.0723927   0.0391207   129 PHE   A CZ   
3549 H H    . PHE   B 117 ? 0.40547  0.272802 0.260014 -0.0188691  -0.0152028  0.00282445  129 PHE   A H    
3550 H HA   . PHE   B 117 ? 0.418043 0.265701 0.252192 -0.0345742  0.00100628  0.0212452   129 PHE   A HA   
3551 H HB2  . PHE   B 117 ? 0.458737 0.259729 0.268653 -0.0201411  0.00486399  0.0253832   129 PHE   A HB2  
3552 H HB3  . PHE   B 117 ? 0.452481 0.250924 0.296193 -0.0285937  0.0072101   0.0112074   129 PHE   A HB3  
3553 H HD1  . PHE   B 117 ? 0.51396  0.288909 0.290865 -0.0316653  0.0254607   0.0405556   129 PHE   A HD1  
3554 H HD2  . PHE   B 117 ? 0.485635 0.259561 0.368233 -0.0564012  0.0337651   0.0083453   129 PHE   A HD2  
3555 H HE1  . PHE   B 117 ? 0.550071 0.285372 0.309906 -0.0456069  0.0604212   0.0503529   129 PHE   A HE1  
3556 H HE2  . PHE   B 117 ? 0.521228 0.262242 0.410562 -0.0758513  0.0716641   0.0210135   129 PHE   A HE2  
3557 H HZ   . PHE   B 117 ? 0.550522 0.270372 0.36925  -0.0683722  0.0896099   0.044221    129 PHE   A HZ   
3558 N N    . PHE   B 118 ? 0.418781 0.267773 0.300533 -0.0558029  0.0143992   0.0100256   130 PHE   A N    
3559 C CA   . PHE   B 118 ? 0.413005 0.26735  0.329381 -0.0662101  0.0200455   0.00188301  130 PHE   A CA   
3560 C C    . PHE   B 118 ? 0.424876 0.258717 0.34366  -0.0758823  0.0410073   0.00504104  130 PHE   A C    
3561 O O    . PHE   B 118 ? 0.432424 0.254701 0.320867 -0.073994   0.0483221   0.013307    130 PHE   A O    
3562 C CB   . PHE   B 118 ? 0.39119  0.275124 0.323865 -0.0664171  0.010347    0.00064529  130 PHE   A CB   
3563 C CG   . PHE   B 118 ? 0.34422  0.252821 0.276202 -0.0567385  -0.00700593 -0.00092639 130 PHE   A CG   
3564 C CD1  . PHE   B 118 ? 0.353672 0.274642 0.264046 -0.0489067  -0.0134289  0.00785208  130 PHE   A CD1  
3565 C CD2  . PHE   B 118 ? 0.403904 0.327837 0.358494 -0.0548007  -0.0169335  -0.011355   130 PHE   A CD2  
3566 C CE1  . PHE   B 118 ? 0.366453 0.312645 0.274343 -0.039083   -0.0245262  0.00855585  130 PHE   A CE1  
3567 C CE2  . PHE   B 118 ? 0.362261 0.309702 0.307149 -0.0431088  -0.0313171  -0.0117609  130 PHE   A CE2  
3568 C CZ   . PHE   B 118 ? 0.357707 0.315822 0.278727 -0.0353895  -0.0328063  -0.00089493 130 PHE   A CZ   
3569 H H    . PHE   B 118 ? 0.427155 0.273227 0.292187 -0.0550422  0.0165545   0.0159985   130 PHE   A H    
3570 H HA   . PHE   B 118 ? 0.415602 0.268503 0.34699  -0.0663954  0.0168606   -0.00561959 130 PHE   A HA   
3571 H HB2  . PHE   B 118 ? 0.380246 0.264208 0.30067  -0.0667424  0.0124401   0.00648929  130 PHE   A HB2  
3572 H HB3  . PHE   B 118 ? 0.378384 0.264949 0.334961 -0.0720352  0.0141638   -0.00465959 130 PHE   A HB3  
3573 H HD1  . PHE   B 118 ? 0.359632 0.272802 0.256605 -0.0495943  -0.00976663 0.0131405   130 PHE   A HD1  
3574 H HD2  . PHE   B 118 ? 0.380617 0.300081 0.356533 -0.0606429  -0.0139124  -0.0186025  130 PHE   A HD2  
3575 H HE1  . PHE   B 118 ? 0.357489 0.313989 0.254804 -0.0344095  -0.0263789  0.0150472   130 PHE   A HE1  
3576 H HE2  . PHE   B 118 ? 0.37165  0.32919  0.327313 -0.0400473  -0.0397954  -0.0201026  130 PHE   A HE2  
3577 H HZ   . PHE   B 118 ? 0.360684 0.335748 0.274585 -0.0270771  -0.0395421  -0.00020393 130 PHE   A HZ   
3578 N N    . GLU   B 119 ? 0.42543  0.255863 0.380719 -0.0853409  0.0504416   -0.00285577 131 GLU   A N    
3579 C CA   . GLU   B 119 ? 0.425626 0.249744 0.396486 -0.0948686  0.0720459   -0.00198205 131 GLU   A CA   
3580 C C    . GLU   B 119 ? 0.43669  0.291106 0.448477 -0.0973281  0.0639307   -0.0123557  131 GLU   A C    
3581 O O    . GLU   B 119 ? 0.400942 0.271973 0.446783 -0.0981802  0.0505353   -0.0230237  131 GLU   A O    
3582 C CB   . GLU   B 119 ? 0.434435 0.233573 0.423234 -0.104482   0.092179    -0.00087676 131 GLU   A CB   
3583 C CG   . GLU   B 119 ? 0.473463 0.26793  0.484039 -0.115121   0.121114    0.00095095  131 GLU   A CG   
3584 C CD   . GLU   B 119 ? 0.503119 0.270967 0.533447 -0.126284   0.144215    0.00617745  131 GLU   A CD   
3585 O OE1  . GLU   B 119 ? 0.564735 0.297025 0.553652 -0.124099   0.161499    0.0235239   131 GLU   A OE1  
3586 O OE2  . GLU   B 119 ? 0.548462 0.327945 0.640268 -0.138273   0.146608    -0.00601754 131 GLU   A OE2  
3587 H H    . GLU   B 119 ? 0.422557 0.255896 0.394824 -0.0856073  0.0435756   -0.00995111 131 GLU   A H    
3588 H HA   . GLU   B 119 ? 0.439667 0.255837 0.382088 -0.0921058  0.078349    0.00501011  131 GLU   A HA   
3589 H HB2  . GLU   B 119 ? 0.465083 0.242684 0.423896 -0.100578   0.0959423   0.00806737  131 GLU   A HB2  
3590 H HB3  . GLU   B 119 ? 0.436576 0.243021 0.454328 -0.107239   0.0831208   -0.0102763  131 GLU   A HB3  
3591 H HG2  . GLU   B 119 ? 0.447107 0.263635 0.492384 -0.118213   0.116991    -0.00866681 131 GLU   A HG2  
3592 H HG3  . GLU   B 119 ? 0.477662 0.264936 0.456223 -0.111089   0.129666    0.00823073  131 GLU   A HG3  
3593 N N    . ILE   B 120 ? 0.417863 0.276821 0.428732 -0.0978271  0.0730433   -0.0109477  132 ILE   A N    
3594 C CA   . ILE   B 120 ? 0.36557  0.250181 0.411404 -0.0964483  0.0636454   -0.0181013  132 ILE   A CA   
3595 C C    . ILE   B 120 ? 0.413581 0.296209 0.483825 -0.102013   0.0871849   -0.0225952  132 ILE   A C    
3596 O O    . ILE   B 120 ? 0.426829 0.292221 0.465738 -0.101498   0.103966    -0.0183318  132 ILE   A O    
3597 C CB   . ILE   B 120 ? 0.392969 0.287134 0.418482 -0.0885751  0.0473367   -0.0127695  132 ILE   A CB   
3598 C CG1  . ILE   B 120 ? 0.36376  0.26339  0.363894 -0.0821435  0.0286409   -0.00664237 132 ILE   A CG1  
3599 C CG2  . ILE   B 120 ? 0.360922 0.275401 0.424072 -0.0857845  0.0394851   -0.0171715  132 ILE   A CG2  
3600 C CD1  . ILE   B 120 ? 0.359087 0.264927 0.338688 -0.0774761  0.0185336   0.00170379  132 ILE   A CD1  
3601 H H    . ILE   B 120 ? 0.430635 0.275135 0.417327 -0.0977666  0.0849521   -0.00572646 132 ILE   A H    
3602 H HA   . ILE   B 120 ? 0.375708 0.27322  0.446899 -0.096665   0.0533546   -0.0239825  132 ILE   A HA   
3603 H HB   . ILE   B 120 ? 0.388524 0.270513 0.392057 -0.088793   0.0558975   -0.0099904  132 ILE   A HB   
3604 H HG12 . ILE   B 120 ? 0.36051  0.273591 0.377959 -0.0799318  0.0183642   -0.0103311  132 ILE   A HG12 
3605 H HG13 . ILE   B 120 ? 0.380887 0.267052 0.362655 -0.0827232  0.0335619   -0.00492497 132 ILE   A HG13 
3606 H HG21 . ILE   B 120 ? 0.358113 0.278122 0.411335 -0.0812049  0.0277518   -0.0116907  132 ILE   A HG21 
3607 H HG22 . ILE   B 120 ? 0.359816 0.286596 0.449078 -0.0857692  0.0335489   -0.0223568  132 ILE   A HG22 
3608 H HG23 . ILE   B 120 ? 0.372804 0.282185 0.444403 -0.0877428  0.0520622   -0.0203197  132 ILE   A HG23 
3609 H HD11 . ILE   B 120 ? 0.368325 0.262217 0.332968 -0.0793964  0.0262021   0.00240992  132 ILE   A HD11 
3610 H HD12 . ILE   B 120 ? 0.355787 0.266049 0.320543 -0.0735492  0.0103889   0.00566131  132 ILE   A HD12 
3611 H HD13 . ILE   B 120 ? 0.348935 0.266389 0.346436 -0.0760855  0.0125536   0.00221654  132 ILE   A HD13 
3612 N N    . GLU   B 121 ? 0.367099 0.270765 0.491908 -0.104811   0.0858789   -0.0325356  133 GLU   A N    
3613 C CA   . GLU   B 121 ? 0.406627 0.317532 0.564984 -0.107069   0.10589     -0.0388025  133 GLU   A CA   
3614 C C    . GLU   B 121 ? 0.383634 0.315657 0.565887 -0.097551   0.0879      -0.0433686  133 GLU   A C    
3615 O O    . GLU   B 121 ? 0.390271 0.343463 0.600476 -0.093462   0.0648944   -0.0468786  133 GLU   A O    
3616 C CB   . GLU   B 121 ? 0.441906 0.364242 0.657352 -0.1175     0.119381    -0.0472846  133 GLU   A CB   
3617 C CG   . GLU   B 121 ? 0.411519 0.345963 0.668458 -0.119502   0.144999    -0.0540793  133 GLU   A CG   
3618 C CD   . GLU   B 121 ? 0.489116 0.441893 0.816569 -0.131602   0.157796    -0.0633999  133 GLU   A CD   
3619 O OE1  . GLU   B 121 ? 0.48882  0.443797 0.837941 -0.139619   0.144671    -0.0673854  133 GLU   A OE1  
3620 O OE2  . GLU   B 121 ? 0.478549 0.442292 0.840181 -0.133306   0.184375    -0.0677809  133 GLU   A OE2  
3621 H H    . GLU   B 121 ? 0.371837 0.287391 0.514771 -0.104249   0.0713812   -0.0367037  133 GLU   A H    
3622 H HA   . GLU   B 121 ? 0.4213   0.316062 0.55154  -0.107222   0.12256     -0.0347634  133 GLU   A HA   
3623 H HB2  . GLU   B 121 ? 0.441101 0.346435 0.642111 -0.123885   0.130761    -0.0424223  133 GLU   A HB2  
3624 H HB3  . GLU   B 121 ? 0.410765 0.350195 0.653203 -0.116346   0.0999119   -0.0537598  133 GLU   A HB3  
3625 H HG2  . GLU   B 121 ? 0.422652 0.371075 0.692807 -0.111664   0.133465    -0.0585295  133 GLU   A HG2  
3626 H HG3  . GLU   B 121 ? 0.455613 0.372624 0.681912 -0.119872   0.165663    -0.0484978  133 GLU   A HG3  
3627 N N    . LEU   B 122 ? 0.380323 0.304318 0.549879 -0.0927358  0.0980107   -0.0437142  134 LEU   A N    
3628 C CA   . LEU   B 122 ? 0.368937 0.306203 0.563409 -0.0830813  0.0829441   -0.0464232  134 LEU   A CA   
3629 C C    . LEU   B 122 ? 0.393746 0.350958 0.649615 -0.0815457  0.0952775   -0.0583432  134 LEU   A C    
3630 O O    . LEU   B 122 ? 0.429147 0.380398 0.691639 -0.0828456  0.122998    -0.065175   134 LEU   A O    
3631 C CB   . LEU   B 122 ? 0.39307  0.310473 0.551805 -0.0783687  0.0842635   -0.0442644  134 LEU   A CB   
3632 C CG   . LEU   B 122 ? 0.373884 0.297151 0.560833 -0.0685331  0.0709423   -0.0455325  134 LEU   A CG   
3633 C CD1  . LEU   B 122 ? 0.325624 0.26385  0.52277  -0.0633795  0.0429759   -0.0341163  134 LEU   A CD1  
3634 C CD2  . LEU   B 122 ? 0.447038 0.346504 0.601134 -0.0670416  0.0722488   -0.0464751  134 LEU   A CD2  
3635 H H    . LEU   B 122 ? 0.400309 0.308857 0.544506 -0.0946074  0.114008    -0.042483   134 LEU   A H    
3636 H HA   . LEU   B 122 ? 0.361705 0.309082 0.559909 -0.0799178  0.0625726   -0.0423208  134 LEU   A HA   
3637 H HB2  . LEU   B 122 ? 0.384502 0.293686 0.510567 -0.0797193  0.0749732   -0.0370019  134 LEU   A HB2  
3638 H HB3  . LEU   B 122 ? 0.404746 0.311572 0.552539 -0.0801213  0.103724    -0.0495006  134 LEU   A HB3  
3639 H HG   . LEU   B 122 ? 0.383642 0.315804 0.604618 -0.0655208  0.0802277   -0.0537295  134 LEU   A HG   
3640 H HD11 . LEU   B 122 ? 0.327355 0.282495 0.550444 -0.062461   0.0390571   -0.0370927  134 LEU   A HD11 
3641 H HD12 . LEU   B 122 ? 0.338229 0.27436  0.546325 -0.0569769  0.0354941   -0.0312854  134 LEU   A HD12 
3642 H HD13 . LEU   B 122 ? 0.330663 0.263859 0.497591 -0.0665247  0.0363415   -0.0266536  134 LEU   A HD13 
3643 H HD21 . LEU   B 122 ? 0.444897 0.334335 0.58369  -0.0688176  0.0892894   -0.054275   134 LEU   A HD21 
3644 H HD22 . LEU   B 122 ? 0.423163 0.317696 0.551014 -0.0697816  0.0615371   -0.0383367  134 LEU   A HD22 
3645 H HD23 . LEU   B 122 ? 0.429967 0.329051 0.605433 -0.0610459  0.0664878   -0.0479852  134 LEU   A HD23 
3646 N N    . LEU   B 123 ? 0.372904 0.356697 0.674384 -0.0763396  0.0738096   -0.0616571  135 LEU   A N    
3647 C CA   . LEU   B 123 ? 0.392847 0.402799 0.762948 -0.0749306  0.0822252   -0.0746079  135 LEU   A CA   
3648 C C    . LEU   B 123 ? 0.402667 0.41714  0.796554 -0.0603955  0.0799807   -0.0777993  135 LEU   A C    
3649 O O    . LEU   B 123 ? 0.41568  0.439516 0.848889 -0.0580807  0.10157     -0.088744   135 LEU   A O    
3650 C CB   . LEU   B 123 ? 0.369871 0.407691 0.777239 -0.0743005  0.055209    -0.0794972  135 LEU   A CB   
3651 C CG   . LEU   B 123 ? 0.430518 0.463431 0.826154 -0.0880252  0.0556274   -0.0809782  135 LEU   A CG   
3652 C CD1  . LEU   B 123 ? 0.423514 0.483693 0.851606 -0.0843462  0.0230376   -0.0905163  135 LEU   A CD1  
3653 C CD2  . LEU   B 123 ? 0.443388 0.47174  0.865983 -0.103362   0.0911726   -0.0866137  135 LEU   A CD2  
3654 H H    . LEU   B 123 ? 0.369288 0.356627 0.659468 -0.0727585  0.0536206   -0.0561516  135 LEU   A H    
3655 H HA   . LEU   B 123 ? 0.399178 0.405594 0.776305 -0.0831129  0.106442    -0.0786383  135 LEU   A HA   
3656 H HB2  . LEU   B 123 ? 0.378744 0.418706 0.771423 -0.0649206  0.0328068   -0.073403   135 LEU   A HB2  
3657 H HB3  . LEU   B 123 ? 0.384007 0.44323  0.842868 -0.0723045  0.0571831   -0.0890773  135 LEU   A HB3  
3658 H HG   . LEU   B 123 ? 0.419272 0.431999 0.764956 -0.088647   0.0540977   -0.0715908  135 LEU   A HG   
3659 H HD11 . LEU   B 123 ? 0.417644 0.48378  0.832608 -0.0723081  0.00262456  -0.0856679  135 LEU   A HD11 
3660 H HD12 . LEU   B 123 ? 0.424666 0.475852 0.833647 -0.0908219  0.0200474   -0.0907499  135 LEU   A HD12 
3661 H HD13 . LEU   B 123 ? 0.422915 0.503828 0.904429 -0.0867365  0.0251557   -0.1018     135 LEU   A HD13 
3662 H HD21 . LEU   B 123 ? 0.45388  0.460663 0.83996  -0.105111   0.110228    -0.0793614  135 LEU   A HD21 
3663 H HD22 . LEU   B 123 ? 0.443119 0.491369 0.914896 -0.10242    0.0979114   -0.0950625  135 LEU   A HD22 
3664 H HD23 . LEU   B 123 ? 0.445404 0.472416 0.873432 -0.111912   0.0887963   -0.0889454  135 LEU   A HD23 
3665 N N    . ASP   B 124 ? 0.374955 0.382433 0.747412 -0.0498647  0.054607    -0.0673939  136 ASP   A N    
3666 C CA   . ASP   B 124 ? 0.393862 0.400542 0.790238 -0.0348887  0.0482238   -0.0677054  136 ASP   A CA   
3667 C C    . ASP   B 124 ? 0.376617 0.3647   0.733036 -0.0288261  0.0256093   -0.0499081  136 ASP   A C    
3668 O O    . ASP   B 124 ? 0.381519 0.370564 0.704503 -0.0330193  0.0103389   -0.0385059  136 ASP   A O    
3669 C CB   . ASP   B 124 ? 0.402371 0.443952 0.867033 -0.0233501  0.0342365   -0.0753278  136 ASP   A CB   
3670 C CG   . ASP   B 124 ? 0.436088 0.479118 0.942852 -0.00750678 0.0398836   -0.0822067  136 ASP   A CG   
3671 O OD1  . ASP   B 124 ? 0.440879 0.454525 0.923023 -0.00577057 0.0556008   -0.0832029  136 ASP   A OD1  
3672 O OD2  . ASP   B 124 ? 0.472609 0.546352 1.03809  0.00405877  0.0270786   -0.0886222  136 ASP   A OD2  
3673 H H    . ASP   B 124 ? 0.376783 0.379043 0.719854 -0.051796   0.0417104   -0.0590561  136 ASP   A H    
3674 H HA   . ASP   B 124 ? 0.402847 0.397423 0.796926 -0.0355473  0.0680416   -0.074416   136 ASP   A HA   
3675 H HB2  . ASP   B 124 ? 0.398942 0.457368 0.889783 -0.030705   0.0436751   -0.0846815  136 ASP   A HB2  
3676 H HB3  . ASP   B 124 ? 0.398506 0.447748 0.858372 -0.0174858  0.0101292   -0.0671549  136 ASP   A HB3  
3677 N N    . PHE   B 125 ? 0.385993 0.357522 0.750901 -0.0186704  0.0255187   -0.048312   137 PHE   A N    
3678 C CA   . PHE   B 125 ? 0.386223 0.342195 0.732023 -0.0113699  0.00465807  -0.0290671  137 PHE   A CA   
3679 C C    . PHE   B 125 ? 0.431359 0.380481 0.818382 0.0056756   -0.00024536 -0.0293413  137 PHE   A C    
3680 O O    . PHE   B 125 ? 0.480128 0.424741 0.895116 0.00950528  0.0176775   -0.0471076  137 PHE   A O    
3681 C CB   . PHE   B 125 ? 0.39239  0.319233 0.686463 -0.023159   0.0103896   -0.0223376  137 PHE   A CB   
3682 C CG   . PHE   B 125 ? 0.429293 0.332374 0.714881 -0.0278373  0.0324118   -0.0396152  137 PHE   A CG   
3683 C CD1  . PHE   B 125 ? 0.453224 0.331701 0.751776 -0.0208305  0.0319818   -0.0428617  137 PHE   A CD1  
3684 C CD2  . PHE   B 125 ? 0.424529 0.327933 0.687978 -0.0375386  0.0535401   -0.0531201  137 PHE   A CD2  
3685 C CE1  . PHE   B 125 ? 0.509986 0.36683  0.796809 -0.023047   0.0500749   -0.063235   137 PHE   A CE1  
3686 C CE2  . PHE   B 125 ? 0.50899  0.391749 0.757218 -0.0382678  0.0731889   -0.069836   137 PHE   A CE2  
3687 C CZ   . PHE   B 125 ? 0.528824 0.388755 0.785471 -0.031273   0.0698634   -0.0764525  137 PHE   A CZ   
3688 H H    . PHE   B 125 ? 0.395702 0.364492 0.77967  -0.0162456  0.039996    -0.0592433  137 PHE   A H    
3689 H HA   . PHE   B 125 ? 0.385061 0.355737 0.727522 -0.00864258 -0.0114655  -0.0196549  137 PHE   A HA   
3690 H HB2  . PHE   B 125 ? 0.402678 0.320505 0.69164  -0.0191134  -0.00173739 -0.00851944 137 PHE   A HB2  
3691 H HB3  . PHE   B 125 ? 0.384855 0.317832 0.654475 -0.0312004  0.0103292   -0.0199813  137 PHE   A HB3  
3692 H HD1  . PHE   B 125 ? 0.465482 0.340147 0.778723 -0.0140183  0.0187995   -0.031078   137 PHE   A HD1  
3693 H HD2  . PHE   B 125 ? 0.426366 0.343027 0.684077 -0.0426702  0.0547641   -0.051032   137 PHE   A HD2  
3694 H HE1  . PHE   B 125 ? 0.523447 0.361557 0.820059 -0.0183573  0.0482871   -0.067532   137 PHE   A HE1  
3695 H HE2  . PHE   B 125 ? 0.497733 0.379682 0.725041 -0.043619   0.087982    -0.0763015  137 PHE   A HE2  
3696 H HZ   . PHE   B 125 ? 0.544298 0.390432 0.7887   -0.0306192  0.0822156   -0.0908158  137 PHE   A HZ   
3697 N N    . LYS   B 126 ? 0.430634 0.379391 0.820884 0.0180779   -0.0239167  -0.0087804  138 LYS   A N    
3698 C CA   . LYS   B 126 ? 0.442918 0.384149 0.87279  0.0380502   -0.0338415  -0.00328638 138 LYS   A CA   
3699 C C    . LYS   B 126 ? 0.446397 0.35762  0.849591 0.0410211   -0.046407   0.0247424   138 LYS   A C    
3700 O O    . LYS   B 126 ? 0.426837 0.340208 0.789664 0.0329996   -0.0539467  0.0422256   138 LYS   A O    
3701 C CB   . LYS   B 126 ? 0.431605 0.412628 0.903994 0.0541759   -0.0519476  -0.00584004 138 LYS   A CB   
3702 H H    . LYS   B 126 ? 0.424138 0.376682 0.789048 0.0151307   -0.0340998  0.00364889  138 LYS   A H    
3703 H HA   . LYS   B 126 ? 0.449345 0.379168 0.896927 0.0386671   -0.0191637  -0.0177327  138 LYS   A HA   
3706 N N    . GLY   B 127 ? 0.55175  0.436915 0.982955 0.054403    -0.0485551  0.0301138   139 GLY   A N    
3707 C CA   . GLY   B 127 ? 0.613036 0.463955 1.03079  0.0570744   -0.05716    0.0582721   139 GLY   A CA   
3708 C C    . GLY   B 127 ? 0.661229 0.526668 1.06502  0.071297    -0.079955   0.0911418   139 GLY   A C    
3709 O O    . GLY   B 127 ? 0.675817 0.572681 1.09836  0.0883309   -0.0952922  0.0892939   139 GLY   A O    
3710 H H    . GLY   B 127 ? 0.542076 0.430293 1.00524  0.0623964   -0.0432548  0.015518    139 GLY   A H    
3711 H HA2  . GLY   B 127 ? 0.607921 0.445209 0.999193 0.0413967   -0.0493822  0.059247    139 GLY   A HA2  
3712 H HA3  . GLY   B 127 ? 0.634073 0.464068 1.0787   0.0656281   -0.0549746  0.0547212   139 GLY   A HA3  
3713 N N    . GLU   B 128 ? 0.699473 0.545479 1.06894  0.0639759   -0.081722   0.120019    140 GLU   A N    
3714 C CA   . GLU   B 128 ? 0.764224 0.606938 1.12208  0.0819833   -0.0988515  0.158146    140 GLU   A CA   
3715 C C    . GLU   B 128 ? 0.824436 0.667024 1.22625  0.110465    -0.113786   0.15915     140 GLU   A C    
3716 O O    . GLU   B 128 ? 0.800135 0.605275 1.23518  0.11607     -0.108165   0.160399    140 GLU   A O    
3717 C CB   . GLU   B 128 ? 0.8525   0.654702 1.19632  0.0712681   -0.0899927  0.187698    140 GLU   A CB   
3718 O OXT  . GLU   B 128 ? 0.848607 0.729097 1.25396  0.127249    -0.13217    0.156104    140 GLU   A OXT  
3719 H H    . GLU   B 128 ? 0.690748 0.526343 1.04328  0.0477804   -0.0713519  0.116579    140 GLU   A H    
3720 H HA   . GLU   B 128 ? 0.763496 0.632324 1.09524  0.0835698   -0.106688   0.163494    140 GLU   A HA   
3723 C C4   . A1INW C .   ? 0.485578 0.55235  0.323273 -0.0800548  -0.0687995  -0.00855751 201 A1INW B C4   
3724 C C14  . A1INW C .   ? 0.707711 0.686323 0.489451 -0.0928039  -0.00338156 -0.0568191  201 A1INW B C14  
3725 C C5   . A1INW C .   ? 0.486747 0.556032 0.320935 -0.0947834  -0.080232   -0.0201873  201 A1INW B C5   
3726 C C6   . A1INW C .   ? 0.574389 0.628733 0.364655 -0.106079   -0.0895149  -0.0290293  201 A1INW B C6   
3727 C C11  . A1INW C .   ? 0.834857 0.847403 0.641579 -0.15052    -0.0751198  -0.0774484  201 A1INW B C11  
3728 C C7   . A1INW C .   ? 0.598617 0.636797 0.347619 -0.102096   -0.0857564  -0.0243298  201 A1INW B C7   
3729 C C8   . A1INW C .   ? 0.852545 0.872467 0.512818 -0.114172   -0.110139   -0.0228783  201 A1INW B C8   
3730 C C9   . A1INW C .   ? 0.671042 0.735569 0.493287 -0.131715   -0.101291   -0.0489932  201 A1INW B C9   
3731 C C10  . A1INW C .   ? 0.752012 0.791945 0.549366 -0.152035   -0.101916   -0.0697174  201 A1INW B C10  
3732 C C12  . A1INW C .   ? 0.715123 0.712782 0.519679 -0.117031   -0.0381605  -0.0625512  201 A1INW B C12  
3733 C C13  . A1INW C .   ? 0.702938 0.67961  0.476736 -0.109713   -0.0216317  -0.067014   201 A1INW B C13  
3734 N N1   . A1INW C .   ? 0.805829 0.796373 0.589427 -0.134842   -0.0530486  -0.0759726  201 A1INW B N1   
3735 N N2   . A1INW C .   ? 0.718024 0.67285  0.450852 -0.122132   -0.0245861  -0.0837175  201 A1INW B N2   
3736 C C3   . A1INW C .   ? 0.52165  0.572318 0.321998 -0.0775915  -0.0656222  -0.00422723 201 A1INW B C3   
3737 N N3   . A1INW C .   ? 0.72576  0.687762 0.461332 -0.138241   -0.0457108  -0.0894414  201 A1INW B N3   
3738 C C1   . A1INW C .   ? 0.573267 0.591039 0.292332 -0.0785163  -0.0561585  0.00654006  201 A1INW B C1   
3739 O O1   . A1INW C .   ? 0.632448 0.653089 0.346707 -0.0884666  -0.0682375  -0.0066223  201 A1INW B O1   
3740 C C2   . A1INW C .   ? 0.552839 0.590542 0.309673 -0.0880798  -0.0736651  -0.0107593  201 A1INW B C2   
3741 O O2   . A1INW C .   ? 0.673338 0.694292 0.371546 -0.113981   -0.0926926  -0.0337554  201 A1INW B O2   
3742 O O3   . A1INW C .   ? 0.62004  0.673211 0.401466 -0.123404   -0.102415   -0.0428843  201 A1INW B O3   
3743 C C15  . A1INW C .   ? 0.643655 0.633846 0.404827 -0.0892424  -0.00992316 -0.045772   201 A1INW B C15  
3744 C C16  . A1INW C .   ? 0.759272 0.729559 0.470636 -0.0949529  -0.00229152 -0.0563568  201 A1INW B C16  
3745 C C17  . A1INW C .   ? 0.555956 0.55867  0.338537 -0.0761211  -0.00109842 -0.0308848  201 A1INW B C17  
3746 O O4   . A1INW C .   ? 0.498322 0.518271 0.31985  -0.0719665  -0.00959071 -0.0224614  201 A1INW B O4   
3747 C C18  . A1INW C .   ? 0.474035 0.498938 0.320374 -0.0618121  0.00168548  -0.0153216  201 A1INW B C18  
3748 O O5   . A1INW C .   ? 0.480451 0.500018 0.324215 -0.0559915  0.0162826   -0.0149113  201 A1INW B O5   
3749 C C19  . A1INW C .   ? 0.417249 0.458921 0.295898 -0.058429   -0.00636018 -0.00730691 201 A1INW B C19  
3750 C C20  . A1INW C .   ? 0.457103 0.493515 0.357187 -0.0568873  0.0044635   -0.00948147 201 A1INW B C20  
3751 C C21  . A1INW C .   ? 0.500278 0.522314 0.395146 -0.068528   0.00422145  -0.0218073  201 A1INW B C21  
3752 C C22  . A1INW C .   ? 0.488313 0.527587 0.391352 -0.0791835  -0.0134987  -0.0225459  201 A1INW B C22  
3753 C C23  . A1INW C .   ? 0.476865 0.525245 0.358786 -0.0794776  -0.0280866  -0.0205775  201 A1INW B C23  
3754 N N4   . A1INW C .   ? 0.458796 0.511904 0.338374 -0.0661552  -0.0244689  -0.00866609 201 A1INW B N4   
3755 C C24  . A1INW C .   ? 0.459347 0.523644 0.334052 -0.0622893  -0.0382092  2.942e-05   201 A1INW B C24  
3756 O O6   . A1INW C .   ? 0.449414 0.509171 0.314641 -0.0544479  -0.0343786  0.00855776  201 A1INW B O6   
3757 C C25  . A1INW C .   ? 0.427006 0.507889 0.306016 -0.0689168  -0.0600292  -0.00073425 201 A1INW B C25  
3758 C C26  . A1INW C .   ? 0.449575 0.547999 0.344949 -0.0564623  -0.0721176  0.0127836   201 A1INW B C26  
3759 C C27  . A1INW C .   ? 0.417136 0.530747 0.351205 -0.0472813  -0.0635897  0.0168179   201 A1INW B C27  
3760 C C28  . A1INW C .   ? 0.437793 0.562505 0.384528 -0.0323472  -0.0728967  0.0278204   201 A1INW B C28  
3761 C C29  . A1INW C .   ? 0.437335 0.582982 0.393308 -0.0316772  -0.0955689  0.0310185   201 A1INW B C29  
3762 C C30  . A1INW C .   ? 0.519506 0.651824 0.43652  -0.042514   -0.108609   0.0290357   201 A1INW B C30  
3763 C C31  . A1INW C .   ? 0.484015 0.601416 0.38194  -0.0592167  -0.0972702  0.0152797   201 A1INW B C31  
3764 H H17  . A1INW C .   ? 0.654255 0.643367 0.46525  -0.0868971  -0.00176774 -0.0487797  201 A1INW B H17  
3765 H H16  . A1INW C .   ? 0.700829 0.662095 0.471511 -0.0901726  0.0114116   -0.0649389  201 A1INW B H16  
3766 H H5   . A1INW C .   ? 0.492228 0.572564 0.352704 -0.0984194  -0.0812789  -0.0225583  201 A1INW B H5   
3767 H H14  . A1INW C .   ? 0.776633 0.803904 0.618439 -0.146976   -0.0717227  -0.069782   201 A1INW B H14  
3768 H H13  . A1INW C .   ? 0.837278 0.832014 0.631372 -0.163955   -0.0760096  -0.0909883  201 A1INW B H13  
3769 H H7   . A1INW C .   ? 0.836489 0.838365 0.456376 -0.121673   -0.105727   -0.030852   201 A1INW B H7   
3770 H H8   . A1INW C .   ? 0.783022 0.803651 0.447783 -0.104351   -0.104923   -0.0104818  201 A1INW B H8   
3771 H H6   . A1INW C .   ? 0.805861 0.841706 0.475709 -0.116867   -0.131613   -0.0197902  201 A1INW B H6   
3772 H H9   . A1INW C .   ? 0.650641 0.741681 0.49825  -0.1324     -0.116182   -0.0428237  201 A1INW B H9   
3773 H H10  . A1INW C .   ? 0.635046 0.695986 0.475629 -0.123913   -0.0850508  -0.0457567  201 A1INW B H10  
3774 H H12  . A1INW C .   ? 0.76857  0.824954 0.582066 -0.163617   -0.117499   -0.072398   201 A1INW B H12  
3775 H H11  . A1INW C .   ? 0.792089 0.816086 0.55008  -0.154847   -0.104326   -0.075541   201 A1INW B H11  
3776 H H15  . A1INW C .   ? 0.687245 0.702245 0.520413 -0.111292   -0.0392771  -0.0524848  201 A1INW B H15  
3777 H H4   . A1INW C .   ? 0.501542 0.550632 0.305015 -0.0697383  -0.0591567  0.00379959  201 A1INW B H4   
3778 H H2   . A1INW C .   ? 0.611121 0.617167 0.298158 -0.0816823  -0.0529469  0.00937287  201 A1INW B H2   
3779 H H3   . A1INW C .   ? 0.5637   0.581102 0.299929 -0.075532   -0.0406792  0.00277126  201 A1INW B H3   
3780 H H1   . A1INW C .   ? 0.57015  0.597544 0.306843 -0.0720366  -0.0667064  0.0163829   201 A1INW B H1   
3781 H H18  . A1INW C .   ? 0.655002 0.656996 0.418305 -0.0934989  -0.027178   -0.0413605  201 A1INW B H18  
3782 H H21  . A1INW C .   ? 0.74204  0.701304 0.452659 -0.0904558  0.0155295   -0.0627665  201 A1INW B H21  
3783 H H19  . A1INW C .   ? 0.738546 0.714295 0.436272 -0.0932673  -0.00497446 -0.0474501  201 A1INW B H19  
3784 H H20  . A1INW C .   ? 0.764885 0.727525 0.457931 -0.104988   -0.0122344  -0.0656047  201 A1INW B H20  
3785 H H23  . A1INW C .   ? 0.559626 0.555518 0.345078 -0.0712405  0.0145694   -0.0339018  201 A1INW B H23  
3786 H H22  . A1INW C .   ? 0.568109 0.573904 0.335312 -0.0758311  -0.00551643 -0.0240193  201 A1INW B H22  
3787 H H24  . A1INW C .   ? 0.422217 0.470528 0.305937 -0.0519433  -0.00671524 0.00093664  201 A1INW B H24  
3788 H H26  . A1INW C .   ? 0.445318 0.475342 0.344532 -0.0509286  0.014627    -0.00848795 201 A1INW B H26  
3789 H H25  . A1INW C .   ? 0.43103  0.47872  0.349055 -0.054303   0.00170571  -0.00333379 201 A1INW B H25  
3790 H H27  . A1INW C .   ? 0.489317 0.504095 0.396365 -0.0673198  0.0117054   -0.0215746  201 A1INW B H27  
3791 H H28  . A1INW C .   ? 0.513983 0.522589 0.388075 -0.070715   0.00789195  -0.0295419  201 A1INW B H28  
3792 H H29  . A1INW C .   ? 0.466517 0.520272 0.391601 -0.0761332  -0.0146489  -0.0154808  201 A1INW B H29  
3793 H H30  . A1INW C .   ? 0.504828 0.535021 0.405196 -0.0892619  -0.0147793  -0.0309996  201 A1INW B H30  
3794 H H31  . A1INW C .   ? 0.480858 0.544899 0.374136 -0.0836596  -0.0408413  -0.019031   201 A1INW B H31  
3795 H H32  . A1INW C .   ? 0.507822 0.542171 0.364967 -0.0850838  -0.0276481  -0.0286768  201 A1INW B H32  
3796 H H33  . A1INW C .   ? 0.439424 0.528274 0.338044 -0.0741436  -0.0599305  -0.00531286 201 A1INW B H33  
3797 H H34  . A1INW C .   ? 0.450372 0.536776 0.327735 -0.0515293  -0.0692859  0.0181732   201 A1INW B H34  
3798 H H36  . A1INW C .   ? 0.418999 0.545397 0.372018 -0.053012   -0.0648295  0.0126557   201 A1INW B H36  
3799 H H35  . A1INW C .   ? 0.411922 0.514381 0.343255 -0.0452683  -0.0502657  0.0163501   201 A1INW B H35  
3800 H H37  . A1INW C .   ? 0.433673 0.542381 0.360822 -0.0282298  -0.0710263  0.0322846   201 A1INW B H37  
3801 H H38  . A1INW C .   ? 0.410405 0.543513 0.378781 -0.0265839  -0.0654654  0.0287289   201 A1INW B H38  
3802 H H39  . A1INW C .   ? 0.452136 0.600857 0.414921 -0.0196604  -0.100639   0.0385888   201 A1INW B H39  
3803 H H40  . A1INW C .   ? 0.444493 0.610174 0.425622 -0.0360314  -0.0972168  0.0270873   201 A1INW B H40  
3804 H H41  . A1INW C .   ? 0.508695 0.624164 0.402584 -0.0377036  -0.10824    0.0352199   201 A1INW B H41  
3805 H H42  . A1INW C .   ? 0.510139 0.659019 0.43497  -0.0434965  -0.125462   0.030665    201 A1INW B H42  
3806 H H44  . A1INW C .   ? 0.487331 0.618626 0.404244 -0.0664474  -0.100658   0.00947735  201 A1INW B H44  
3807 H H43  . A1INW C .   ? 0.515207 0.621086 0.3828   -0.0650311  -0.103601   0.0135307   201 A1INW B H43  
3808 C C4   . A1INW D .   ? 0.38773  0.431018 0.277855 0.0201716   -0.0943416  -0.0452339  201 A1INW A C4   
3809 C C14  . A1INW D .   ? 0.445498 0.531757 0.365174 0.0273949   -0.113041   0.00941097  201 A1INW A C14  
3810 C C5   . A1INW D .   ? 0.390283 0.439005 0.299235 0.0215538   -0.112131   -0.0645833  201 A1INW A C5   
3811 C C6   . A1INW D .   ? 0.447226 0.521048 0.332326 0.0406212   -0.130512   -0.0723175  201 A1INW A C6   
3812 C C11  . A1INW D .   ? 0.518918 0.614    0.523049 0.0251151   -0.173292   -0.103792   201 A1INW A C11  
3813 C C7   . A1INW D .   ? 0.488075 0.580553 0.328896 0.0576466   -0.126058   -0.0573957  201 A1INW A C7   
3814 C C8   . A1INW D .   ? 0.513858 0.646614 0.314893 0.0850348   -0.146909   -0.0411636  201 A1INW A C8   
3815 C C9   . A1INW D .   ? 0.528579 0.599607 0.479917 0.0300059   -0.160283   -0.116945   201 A1INW A C9   
3816 C C10  . A1INW D .   ? 0.527762 0.6222   0.502456 0.0356615   -0.184099   -0.126759   201 A1INW A C10  
3817 C C12  . A1INW D .   ? 0.506185 0.58845  0.469142 0.0216521   -0.136246   -0.0467947  201 A1INW A C12  
3818 C C13  . A1INW D .   ? 0.485019 0.57944  0.416454 0.0335716   -0.134177   -0.0203074  201 A1INW A C13  
3819 N N1   . A1INW D .   ? 0.527529 0.626421 0.494537 0.0329693   -0.160976   -0.0699258  201 A1INW A N1   
3820 N N2   . A1INW D .   ? 0.530145 0.646966 0.439308 0.0537711   -0.155973   -0.0258892  201 A1INW A N2   
3821 C C3   . A1INW D .   ? 0.39928  0.463482 0.254635 0.035319    -0.0912533  -0.0325357  201 A1INW A C3   
3822 N N3   . A1INW D .   ? 0.581082 0.701982 0.510357 0.0543722   -0.174637   -0.0583832  201 A1INW A N3   
3823 C C1   . A1INW D .   ? 0.483247 0.598514 0.272433 0.066799    -0.0785906  -0.00253593 201 A1INW A C1   
3824 O O1   . A1INW D .   ? 0.47473  0.587126 0.265995 0.0713858   -0.0991605  -0.0239232  201 A1INW A O1   
3825 C C2   . A1INW D .   ? 0.475648 0.564546 0.305223 0.0539338   -0.104749   -0.0365842  201 A1INW A C2   
3826 O O2   . A1INW D .   ? 0.509157 0.625666 0.316827 0.0796788   -0.143341   -0.0658562  201 A1INW A O2   
3827 O O3   . A1INW D .   ? 0.472802 0.558113 0.372939 0.0461662   -0.154109   -0.0942422  201 A1INW A O3   
3828 C C15  . A1INW D .   ? 0.428869 0.52385  0.307103 0.0364924   -0.104006   0.0196195   201 A1INW A C15  
3829 C C16  . A1INW D .   ? 0.520689 0.638757 0.363835 0.0568542   -0.110628   0.0388977   201 A1INW A C16  
3830 C C17  . A1INW D .   ? 0.416656 0.499665 0.299959 0.0228328   -0.0826766  0.0370616   201 A1INW A C17  
3831 O O4   . A1INW D .   ? 0.375579 0.436976 0.277674 0.0086918   -0.0765689  0.0202079   201 A1INW A O4   
3832 C C18  . A1INW D .   ? 0.369655 0.41776  0.282936 -0.00451213 -0.0628107  0.0319381   201 A1INW A C18  
3833 O O5   . A1INW D .   ? 0.372924 0.425347 0.28734  -0.00722853 -0.0561122  0.0519058   201 A1INW A O5   
3834 C C19  . A1INW D .   ? 0.328236 0.351963 0.254628 -0.0165128  -0.0566366  0.016581    201 A1INW A C19  
3835 C C20  . A1INW D .   ? 0.343059 0.352268 0.296537 -0.0293745  -0.0509099  0.0187096   201 A1INW A C20  
3836 C C21  . A1INW D .   ? 0.337422 0.35332  0.314918 -0.0270096  -0.0614315  0.00918891  201 A1INW A C21  
3837 C C22  . A1INW D .   ? 0.335367 0.347626 0.321146 -0.0270161  -0.0676997  -0.0138314  201 A1INW A C22  
3838 C C23  . A1INW D .   ? 0.328964 0.351808 0.28335  -0.0135866  -0.0766989  -0.0196288  201 A1INW A C23  
3839 N N4   . A1INW D .   ? 0.345562 0.366349 0.272919 -0.0116264  -0.0658412  -0.00564566 201 A1INW A N4   
3840 C C24  . A1INW D .   ? 0.352065 0.373997 0.256742 -0.00252967 -0.0663045  -0.0125121  201 A1INW A C24  
3841 O O6   . A1INW D .   ? 0.365947 0.395156 0.252804 0.00166812  -0.0587892  0.0001865   201 A1INW A O6   
3842 C C25  . A1INW D .   ? 0.368769 0.384667 0.276565 0.00285353  -0.0776002  -0.0383703  201 A1INW A C25  
3843 C C26  . A1INW D .   ? 0.373958 0.373305 0.267476 0.00705008  -0.0721282  -0.0464412  201 A1INW A C26  
3844 C C27  . A1INW D .   ? 0.354807 0.324005 0.260138 -0.00749432 -0.0577293  -0.0394945  201 A1INW A C27  
3845 C C28  . A1INW D .   ? 0.404482 0.353227 0.296495 -0.00042915 -0.0547511  -0.0467977  201 A1INW A C28  
3846 C C29  . A1INW D .   ? 0.422107 0.358067 0.321268 0.0051549   -0.0645389  -0.0719153  201 A1INW A C29  
3847 C C30  . A1INW D .   ? 0.44275  0.409712 0.33081  0.0189606   -0.0798403  -0.0842335  201 A1INW A C30  
3848 C C31  . A1INW D .   ? 0.395562 0.387032 0.292452 0.0139023   -0.0846661  -0.0742596  201 A1INW A C31  
3849 H H17  . A1INW D .   ? 0.424367 0.494923 0.363307 0.0136282   -0.102199   0.00758986  201 A1INW A H17  
3850 H H16  . A1INW D .   ? 0.448566 0.539415 0.371405 0.0310069   -0.115104   0.0245843   201 A1INW A H16  
3851 H H5   . A1INW D .   ? 0.393807 0.430386 0.331469 0.0102922   -0.111955   -0.0730336  201 A1INW A H5   
3852 H H14  . A1INW D .   ? 0.49958  0.577299 0.529374 0.00925893  -0.158392   -0.103895   201 A1INW A H14  
3853 H H13  . A1INW D .   ? 0.524351 0.634348 0.550266 0.0288892   -0.189363   -0.112251   201 A1INW A H13  
3854 H H7   . A1INW D .   ? 0.544207 0.693396 0.317265 0.102101    -0.159211   -0.0455975  201 A1INW A H7   
3855 H H8   . A1INW D .   ? 0.500312 0.626794 0.332502 0.0754084   -0.153129   -0.0439719  201 A1INW A H8   
3856 H H6   . A1INW D .   ? 0.503683 0.636995 0.29774  0.0819736   -0.130804   -0.0172936  201 A1INW A H6   
3857 H H9   . A1INW D .   ? 0.523648 0.585377 0.476038 0.0305459   -0.164936   -0.13702    201 A1INW A H9   
3858 H H10  . A1INW D .   ? 0.486498 0.54247  0.457817 0.015612    -0.144526   -0.10617    201 A1INW A H10  
3859 H H12  . A1INW D .   ? 0.542097 0.634284 0.546066 0.0302828   -0.195109   -0.150771   201 A1INW A H12  
3860 H H11  . A1INW D .   ? 0.555431 0.667505 0.497789 0.0529546   -0.196613   -0.125369   201 A1INW A H11  
3861 H H15  . A1INW D .   ? 0.482595 0.548155 0.461754 0.00839849  -0.123301   -0.0481764  201 A1INW A H15  
3862 H H4   . A1INW D .   ? 0.401317 0.464826 0.250568 0.0334968   -0.079794   -0.0203023  201 A1INW A H4   
3863 H H2   . A1INW D .   ? 0.492258 0.626991 0.257744 0.0790627   -0.0734965  0.00674256  201 A1INW A H2   
3864 H H3   . A1INW D .   ? 0.456123 0.566256 0.262813 0.0548251   -0.0729617  0.013178    201 A1INW A H3   
3865 H H1   . A1INW D .   ? 0.468871 0.572264 0.263871 0.063995    -0.0752582  -0.0130926  201 A1INW A H1   
3866 H H18  . A1INW D .   ? 0.45212  0.546741 0.322485 0.0397211   -0.108191   0.00138032  201 A1INW A H18  
3867 H H21  . A1INW D .   ? 0.501897 0.618427 0.357095 0.0557767   -0.11234    0.0526407   201 A1INW A H21  
3868 H H19  . A1INW D .   ? 0.506705 0.630216 0.330896 0.0592498   -0.098455   0.0524879   201 A1INW A H19  
3869 H H20  . A1INW D .   ? 0.52214  0.650573 0.350437 0.0689945   -0.124965   0.0237833   201 A1INW A H20  
3870 H H23  . A1INW D .   ? 0.403508 0.483145 0.299323 0.0177223   -0.0789236  0.0519211   201 A1INW A H23  
3871 H H22  . A1INW D .   ? 0.418085 0.511475 0.279787 0.0294541   -0.0767591  0.0451235   201 A1INW A H22  
3872 H H24  . A1INW D .   ? 0.336591 0.356769 0.252539 -0.0178144  -0.049898   0.0208555   201 A1INW A H24  
3873 H H26  . A1INW D .   ? 0.330866 0.3421   0.284573 -0.0314247  -0.0472081  0.0318983   201 A1INW A H26  
3874 H H25  . A1INW D .   ? 0.33171  0.325098 0.28815  -0.0366479  -0.0436922  0.0127453   201 A1INW A H25  
3875 H H27  . A1INW D .   ? 0.330403 0.338308 0.327192 -0.0340809  -0.0561311  0.0102493   201 A1INW A H27  
3876 H H28  . A1INW D .   ? 0.34465  0.375402 0.315264 -0.017855   -0.0698372  0.0162961   201 A1INW A H28  
3877 H H29  . A1INW D .   ? 0.328791 0.324099 0.320893 -0.0360745  -0.0574556  -0.0178572  201 A1INW A H29  
3878 H H30  . A1INW D .   ? 0.334874 0.354623 0.341455 -0.0260242  -0.0760931  -0.0218641  201 A1INW A H30  
3879 H H31  . A1INW D .   ? 0.34519  0.360033 0.306813 -0.0152361  -0.0796036  -0.0355825  201 A1INW A H31  
3880 H H32  . A1INW D .   ? 0.347725 0.387758 0.294675 -0.00346619 -0.087552   -0.0182726  201 A1INW A H32  
3881 H H33  . A1INW D .   ? 0.364253 0.369189 0.29622  -0.00663284 -0.078468   -0.0462837  201 A1INW A H33  
3882 H H34  . A1INW D .   ? 0.374157 0.386837 0.247744 0.0161017   -0.0693831  -0.0377939  201 A1INW A H34  
3883 H H36  . A1INW D .   ? 0.362568 0.320479 0.288708 -0.0172339  -0.0568051  -0.0452388  201 A1INW A H36  
3884 H H35  . A1INW D .   ? 0.351339 0.325376 0.252162 -0.0106411  -0.0512945  -0.0244887  201 A1INW A H35  
3885 H H37  . A1INW D .   ? 0.394448 0.357165 0.269137 0.00926204  -0.0542447  -0.0402613  201 A1INW A H37  
3886 H H38  . A1INW D .   ? 0.393924 0.322581 0.289507 -0.00832925 -0.0459641  -0.0403242  201 A1INW A H38  
3887 H H39  . A1INW D .   ? 0.439941 0.362155 0.329085 0.0117075   -0.0620283  -0.0743476  201 A1INW A H39  
3888 H H40  . A1INW D .   ? 0.428954 0.349462 0.350577 -0.00609584 -0.0634994  -0.0783122  201 A1INW A H40  
3889 H H41  . A1INW D .   ? 0.437408 0.417484 0.303219 0.0311767   -0.078454   -0.0796459  201 A1INW A H41  
3890 H H42  . A1INW D .   ? 0.451236 0.409989 0.347611 0.021171    -0.0888809  -0.104318   201 A1INW A H42  
3891 H H44  . A1INW D .   ? 0.401857 0.384613 0.323593 0.00424771  -0.0879703  -0.0828678  201 A1INW A H44  
3892 H H43  . A1INW D .   ? 0.414122 0.425372 0.296381 0.0258382   -0.0944651  -0.0797188  201 A1INW A H43  
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