data_9GPV
# 
_entry.id   9GPV 
# 
_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   9GPV         pdb_00009gpv 10.2210/pdb9gpv/pdb 
WWPDB D_1292141159 ?            ?                   
# 
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                        9GPV 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-09 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              felix.hausch@tu-darmstadt.de 
_pdbx_contact_author.name_first         Felix 
_pdbx_contact_author.name_last          Hausch 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-3710-8838 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Meyners, C.' 1 ? 
'Buffa, V.'   2 ? 
'Walz, C.'    3 ? 
'Hausch, F.'  4 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   GE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Angew.Chem.Int.Ed.Engl. 
_citation.journal_id_ASTM           ACIEAY 
_citation.journal_id_CSD            0179 
_citation.journal_id_ISSN           1521-3773 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            64 
_citation.language                  ? 
_citation.page_first                e202418512 
_citation.page_last                 e202418512 
_citation.title                     
'Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/anie.202418512 
_citation.pdbx_database_id_PubMed   39749563 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Buffa, V.'        1  ?                   
primary 'Walz, C.'         2  ?                   
primary 'Meyners, C.'      3  ?                   
primary 'Zheng, M.'        4  ?                   
primary 'Oki Sugiarto, W.' 5  ?                   
primary 'Repity, M.'       6  ?                   
primary 'Achaq, H.'        7  ?                   
primary 'Brudy, C.'        8  ?                   
primary 'Spiske, M.'       9  ?                   
primary 'Cica, M.'         10 ?                   
primary 'Hausch, F.'       11 0000-0002-3710-8838 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Peptidyl-prolyl cis-trans isomerase FKBP5' 14004.026 2   5.2.1.8 'A19T, C103A, C107I' ? ? 
2 non-polymer syn 
;3-cyclohexyl-19,20-dimethoxy-19-methyl-11,18-dioxa-1,19lambda5-dithia-5-aza-19lambda5-stannapentacyclo[18.3.1.04,9.013,22.015,21]tetracosane-2,10-quinone
;
568.704   2   ?       ?                    ? ? 
3 water       nat water 18.015    146 ?       ?                    ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;PPIase FKBP5,51 kDa FK506-binding protein,FKBP-51,54 kDa progesterone receptor-associated immunophilin,Androgen-regulated protein 6,FF1 antigen,FK506-binding protein 5,FKBP-5,FKBP54,p54,HSP90-binding immunophilin,Rotamase
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDI
GVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDI
GVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_entity_poly.pdbx_strand_id                 B,A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 
;3-cyclohexyl-19,20-dimethoxy-19-methyl-11,18-dioxa-1,19lambda5-dithia-5-aza-19lambda5-stannapentacyclo[18.3.1.04,9.013,22.015,21]tetracosane-2,10-quinone
;
A1INT 
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 
A1INT non-polymer         . 
;3-cyclohexyl-19,20-dimethoxy-19-methyl-11,18-dioxa-1,19lambda5-dithia-5-aza-19lambda5-stannapentacyclo[18.3.1.04,9.013,22.015,21]tetracosane-2,10-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        A1INT 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1INT 
_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 A1INT 1  201 201 A1INT DRG B . 
D 2 A1INT 1  201 201 A1INT DRG A . 
E 3 HOH   1  301 131 HOH   HOH B . 
E 3 HOH   2  302 114 HOH   HOH B . 
E 3 HOH   3  303 113 HOH   HOH B . 
E 3 HOH   4  304 48  HOH   HOH B . 
E 3 HOH   5  305 133 HOH   HOH B . 
E 3 HOH   6  306 67  HOH   HOH B . 
E 3 HOH   7  307 42  HOH   HOH B . 
E 3 HOH   8  308 99  HOH   HOH B . 
E 3 HOH   9  309 145 HOH   HOH B . 
E 3 HOH   10 310 86  HOH   HOH B . 
E 3 HOH   11 311 31  HOH   HOH B . 
E 3 HOH   12 312 102 HOH   HOH B . 
E 3 HOH   13 313 7   HOH   HOH B . 
E 3 HOH   14 314 58  HOH   HOH B . 
E 3 HOH   15 315 121 HOH   HOH B . 
E 3 HOH   16 316 41  HOH   HOH B . 
E 3 HOH   17 317 124 HOH   HOH B . 
E 3 HOH   18 318 14  HOH   HOH B . 
E 3 HOH   19 319 60  HOH   HOH B . 
E 3 HOH   20 320 39  HOH   HOH B . 
E 3 HOH   21 321 18  HOH   HOH B . 
E 3 HOH   22 322 112 HOH   HOH B . 
E 3 HOH   23 323 50  HOH   HOH B . 
E 3 HOH   24 324 47  HOH   HOH B . 
E 3 HOH   25 325 19  HOH   HOH B . 
E 3 HOH   26 326 28  HOH   HOH B . 
E 3 HOH   27 327 56  HOH   HOH B . 
E 3 HOH   28 328 6   HOH   HOH B . 
E 3 HOH   29 329 10  HOH   HOH B . 
E 3 HOH   30 330 11  HOH   HOH B . 
E 3 HOH   31 331 79  HOH   HOH B . 
E 3 HOH   32 332 136 HOH   HOH B . 
E 3 HOH   33 333 9   HOH   HOH B . 
E 3 HOH   34 334 77  HOH   HOH B . 
E 3 HOH   35 335 81  HOH   HOH B . 
E 3 HOH   36 336 55  HOH   HOH B . 
E 3 HOH   37 337 140 HOH   HOH B . 
E 3 HOH   38 338 69  HOH   HOH B . 
E 3 HOH   39 339 22  HOH   HOH B . 
E 3 HOH   40 340 30  HOH   HOH B . 
E 3 HOH   41 341 101 HOH   HOH B . 
E 3 HOH   42 342 88  HOH   HOH B . 
E 3 HOH   43 343 23  HOH   HOH B . 
E 3 HOH   44 344 2   HOH   HOH B . 
E 3 HOH   45 345 24  HOH   HOH B . 
E 3 HOH   46 346 27  HOH   HOH B . 
E 3 HOH   47 347 46  HOH   HOH B . 
E 3 HOH   48 348 43  HOH   HOH B . 
E 3 HOH   49 349 87  HOH   HOH B . 
E 3 HOH   50 350 76  HOH   HOH B . 
E 3 HOH   51 351 62  HOH   HOH B . 
E 3 HOH   52 352 125 HOH   HOH B . 
E 3 HOH   53 353 32  HOH   HOH B . 
E 3 HOH   54 354 89  HOH   HOH B . 
E 3 HOH   55 355 94  HOH   HOH B . 
E 3 HOH   56 356 120 HOH   HOH B . 
E 3 HOH   57 357 63  HOH   HOH B . 
E 3 HOH   58 358 12  HOH   HOH B . 
E 3 HOH   59 359 1   HOH   HOH B . 
E 3 HOH   60 360 53  HOH   HOH B . 
E 3 HOH   61 361 108 HOH   HOH B . 
E 3 HOH   62 362 127 HOH   HOH B . 
E 3 HOH   63 363 130 HOH   HOH B . 
E 3 HOH   64 364 109 HOH   HOH B . 
E 3 HOH   65 365 90  HOH   HOH B . 
E 3 HOH   66 366 57  HOH   HOH B . 
E 3 HOH   67 367 132 HOH   HOH B . 
E 3 HOH   68 368 110 HOH   HOH B . 
E 3 HOH   69 369 146 HOH   HOH B . 
E 3 HOH   70 370 105 HOH   HOH B . 
E 3 HOH   71 371 70  HOH   HOH B . 
E 3 HOH   72 372 106 HOH   HOH B . 
E 3 HOH   73 373 118 HOH   HOH B . 
E 3 HOH   74 374 117 HOH   HOH B . 
E 3 HOH   75 375 78  HOH   HOH B . 
E 3 HOH   76 376 142 HOH   HOH B . 
F 3 HOH   1  301 116 HOH   HOH A . 
F 3 HOH   2  302 52  HOH   HOH A . 
F 3 HOH   3  303 80  HOH   HOH A . 
F 3 HOH   4  304 16  HOH   HOH A . 
F 3 HOH   5  305 26  HOH   HOH A . 
F 3 HOH   6  306 141 HOH   HOH A . 
F 3 HOH   7  307 68  HOH   HOH A . 
F 3 HOH   8  308 74  HOH   HOH A . 
F 3 HOH   9  309 8   HOH   HOH A . 
F 3 HOH   10 310 95  HOH   HOH A . 
F 3 HOH   11 311 97  HOH   HOH A . 
F 3 HOH   12 312 71  HOH   HOH A . 
F 3 HOH   13 313 40  HOH   HOH A . 
F 3 HOH   14 314 115 HOH   HOH A . 
F 3 HOH   15 315 85  HOH   HOH A . 
F 3 HOH   16 316 134 HOH   HOH A . 
F 3 HOH   17 317 5   HOH   HOH A . 
F 3 HOH   18 318 92  HOH   HOH A . 
F 3 HOH   19 319 135 HOH   HOH A . 
F 3 HOH   20 320 51  HOH   HOH A . 
F 3 HOH   21 321 82  HOH   HOH A . 
F 3 HOH   22 322 126 HOH   HOH A . 
F 3 HOH   23 323 93  HOH   HOH A . 
F 3 HOH   24 324 122 HOH   HOH A . 
F 3 HOH   25 325 100 HOH   HOH A . 
F 3 HOH   26 326 75  HOH   HOH A . 
F 3 HOH   27 327 83  HOH   HOH A . 
F 3 HOH   28 328 64  HOH   HOH A . 
F 3 HOH   29 329 25  HOH   HOH A . 
F 3 HOH   30 330 15  HOH   HOH A . 
F 3 HOH   31 331 20  HOH   HOH A . 
F 3 HOH   32 332 54  HOH   HOH A . 
F 3 HOH   33 333 65  HOH   HOH A . 
F 3 HOH   34 334 73  HOH   HOH A . 
F 3 HOH   35 335 138 HOH   HOH A . 
F 3 HOH   36 336 49  HOH   HOH A . 
F 3 HOH   37 337 13  HOH   HOH A . 
F 3 HOH   38 338 72  HOH   HOH A . 
F 3 HOH   39 339 17  HOH   HOH A . 
F 3 HOH   40 340 45  HOH   HOH A . 
F 3 HOH   41 341 35  HOH   HOH A . 
F 3 HOH   42 342 37  HOH   HOH A . 
F 3 HOH   43 343 4   HOH   HOH A . 
F 3 HOH   44 344 84  HOH   HOH A . 
F 3 HOH   45 345 33  HOH   HOH A . 
F 3 HOH   46 346 59  HOH   HOH A . 
F 3 HOH   47 347 66  HOH   HOH A . 
F 3 HOH   48 348 137 HOH   HOH A . 
F 3 HOH   49 349 34  HOH   HOH A . 
F 3 HOH   50 350 21  HOH   HOH A . 
F 3 HOH   51 351 139 HOH   HOH A . 
F 3 HOH   52 352 44  HOH   HOH A . 
F 3 HOH   53 353 96  HOH   HOH A . 
F 3 HOH   54 354 3   HOH   HOH A . 
F 3 HOH   55 355 29  HOH   HOH A . 
F 3 HOH   56 356 38  HOH   HOH A . 
F 3 HOH   57 357 111 HOH   HOH A . 
F 3 HOH   58 358 119 HOH   HOH A . 
F 3 HOH   59 359 107 HOH   HOH A . 
F 3 HOH   60 360 143 HOH   HOH A . 
F 3 HOH   61 361 128 HOH   HOH A . 
F 3 HOH   62 362 103 HOH   HOH A . 
F 3 HOH   63 363 61  HOH   HOH A . 
F 3 HOH   64 364 104 HOH   HOH A . 
F 3 HOH   65 365 123 HOH   HOH A . 
F 3 HOH   66 366 91  HOH   HOH A . 
F 3 HOH   67 367 129 HOH   HOH A . 
F 3 HOH   68 368 98  HOH   HOH A . 
F 3 HOH   69 369 36  HOH   HOH A . 
F 3 HOH   70 370 144 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 ASN 63  ? CG  ? A ASN 51  CG  
21  1 Y 1 B ASN 63  ? OD1 ? A ASN 51  OD1 
22  1 Y 1 B ASN 63  ? ND2 ? A ASN 51  ND2 
23  1 Y 1 B LYS 65  ? CG  ? A LYS 53  CG  
24  1 Y 1 B LYS 65  ? CD  ? A LYS 53  CD  
25  1 Y 1 B LYS 65  ? CE  ? A LYS 53  CE  
26  1 Y 1 B LYS 65  ? NZ  ? A LYS 53  NZ  
27  1 Y 1 B LYS 66  ? CG  ? A LYS 54  CG  
28  1 Y 1 B LYS 66  ? CD  ? A LYS 54  CD  
29  1 Y 1 B LYS 66  ? CE  ? A LYS 54  CE  
30  1 Y 1 B LYS 66  ? NZ  ? A LYS 54  NZ  
31  1 Y 1 B ARG 73  ? CG  ? A ARG 61  CG  
32  1 Y 1 B ARG 73  ? CD  ? A ARG 61  CD  
33  1 Y 1 B ARG 73  ? NE  ? A ARG 61  NE  
34  1 Y 1 B ARG 73  ? CZ  ? A ARG 61  CZ  
35  1 Y 1 B ARG 73  ? NH1 ? A ARG 61  NH1 
36  1 Y 1 B ARG 73  ? NH2 ? A ARG 61  NH2 
37  1 Y 1 B ASN 74  ? CG  ? A ASN 62  CG  
38  1 Y 1 B ASN 74  ? OD1 ? A ASN 62  OD1 
39  1 Y 1 B ASN 74  ? ND2 ? A ASN 62  ND2 
40  1 Y 1 B LYS 83  ? CG  ? A LYS 71  CG  
41  1 Y 1 B LYS 83  ? CD  ? A LYS 71  CD  
42  1 Y 1 B LYS 83  ? CE  ? A LYS 71  CE  
43  1 Y 1 B LYS 83  ? NZ  ? A LYS 71  NZ  
44  1 Y 1 B LYS 88  ? CG  ? A LYS 76  CG  
45  1 Y 1 B LYS 88  ? CD  ? A LYS 76  CD  
46  1 Y 1 B LYS 88  ? CE  ? A LYS 76  CE  
47  1 Y 1 B LYS 88  ? NZ  ? A LYS 76  NZ  
48  1 Y 1 B LYS 98  ? CG  ? A LYS 86  CG  
49  1 Y 1 B LYS 98  ? CD  ? A LYS 86  CD  
50  1 Y 1 B LYS 98  ? CE  ? A LYS 86  CE  
51  1 Y 1 B LYS 98  ? NZ  ? A LYS 86  NZ  
52  1 Y 1 B LYS 138 ? CG  ? A LYS 126 CG  
53  1 Y 1 B LYS 138 ? CD  ? A LYS 126 CD  
54  1 Y 1 B LYS 138 ? CE  ? A LYS 126 CE  
55  1 Y 1 B LYS 138 ? NZ  ? A LYS 126 NZ  
56  1 Y 1 B GLU 140 ? CG  ? A GLU 128 CG  
57  1 Y 1 B GLU 140 ? CD  ? A GLU 128 CD  
58  1 Y 1 B GLU 140 ? OE1 ? A GLU 128 OE1 
59  1 Y 1 B GLU 140 ? OE2 ? A GLU 128 OE2 
60  1 Y 1 A GLU 20  ? CG  ? B GLU 8   CG  
61  1 Y 1 A GLU 20  ? CD  ? B GLU 8   CD  
62  1 Y 1 A GLU 20  ? OE1 ? B GLU 8   OE1 
63  1 Y 1 A GLU 20  ? OE2 ? B GLU 8   OE2 
64  1 Y 1 A GLN 21  ? CG  ? B GLN 9   CG  
65  1 Y 1 A GLN 21  ? CD  ? B GLN 9   CD  
66  1 Y 1 A GLN 21  ? OE1 ? B GLN 9   OE1 
67  1 Y 1 A GLN 21  ? NE2 ? B GLN 9   NE2 
68  1 Y 1 A GLU 23  ? CG  ? B GLU 11  CG  
69  1 Y 1 A GLU 23  ? CD  ? B GLU 11  CD  
70  1 Y 1 A GLU 23  ? OE1 ? B GLU 11  OE1 
71  1 Y 1 A GLU 23  ? OE2 ? B GLU 11  OE2 
72  1 Y 1 A GLU 44  ? CG  ? B GLU 32  CG  
73  1 Y 1 A GLU 44  ? CD  ? B GLU 32  CD  
74  1 Y 1 A GLU 44  ? OE1 ? B GLU 32  OE1 
75  1 Y 1 A GLU 44  ? OE2 ? B GLU 32  OE2 
76  1 Y 1 A GLU 45  ? CG  ? B GLU 33  CG  
77  1 Y 1 A GLU 45  ? CD  ? B GLU 33  CD  
78  1 Y 1 A GLU 45  ? OE1 ? B GLU 33  OE1 
79  1 Y 1 A GLU 45  ? OE2 ? B GLU 33  OE2 
80  1 Y 1 A ASN 63  ? CG  ? B ASN 51  CG  
81  1 Y 1 A ASN 63  ? OD1 ? B ASN 51  OD1 
82  1 Y 1 A ASN 63  ? ND2 ? B ASN 51  ND2 
83  1 Y 1 A LYS 65  ? CG  ? B LYS 53  CG  
84  1 Y 1 A LYS 65  ? CD  ? B LYS 53  CD  
85  1 Y 1 A LYS 65  ? CE  ? B LYS 53  CE  
86  1 Y 1 A LYS 65  ? NZ  ? B LYS 53  NZ  
87  1 Y 1 A LYS 66  ? CG  ? B LYS 54  CG  
88  1 Y 1 A LYS 66  ? CD  ? B LYS 54  CD  
89  1 Y 1 A LYS 66  ? CE  ? B LYS 54  CE  
90  1 Y 1 A LYS 66  ? NZ  ? B LYS 54  NZ  
91  1 Y 1 A LYS 83  ? CG  ? B LYS 71  CG  
92  1 Y 1 A LYS 83  ? CD  ? B LYS 71  CD  
93  1 Y 1 A LYS 83  ? CE  ? B LYS 71  CE  
94  1 Y 1 A LYS 83  ? NZ  ? B LYS 71  NZ  
95  1 Y 1 A LYS 88  ? CG  ? B LYS 76  CG  
96  1 Y 1 A LYS 88  ? CD  ? B LYS 76  CD  
97  1 Y 1 A LYS 88  ? CE  ? B LYS 76  CE  
98  1 Y 1 A LYS 88  ? NZ  ? B LYS 76  NZ  
99  1 Y 1 A LYS 138 ? CG  ? B LYS 126 CG  
100 1 Y 1 A LYS 138 ? CD  ? B LYS 126 CD  
101 1 Y 1 A LYS 138 ? CE  ? B LYS 126 CE  
102 1 Y 1 A LYS 138 ? NZ  ? B LYS 126 NZ  
103 1 Y 1 A GLU 140 ? CG  ? B GLU 128 CG  
104 1 Y 1 A GLU 140 ? CD  ? B GLU 128 CD  
105 1 Y 1 A GLU 140 ? OE1 ? B GLU 128 OE1 
106 1 Y 1 A GLU 140 ? OE2 ? B GLU 128 OE2 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? '5.8.0430 (refmacat 0.4.82)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoXDS ? ? ? .                            2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                            3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .                            4 
# 
_cell.angle_alpha                  90 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GPV 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     49.007 
_cell.length_a_esd                 ? 
_cell.length_b                     49.007 
_cell.length_b_esd                 ? 
_cell.length_c                     196.275 
_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                         9GPV 
_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                   9GPV 
_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             2.43 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          49.37 
_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    '12% 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                                       9GPV 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.70 
_reflns.d_resolution_low                               49.07 
_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                                     31284 
_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                                11.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          19.7 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.03 
_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                                0.061 
_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                              0.056 
_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 
9.00 49.07 ? 52.4 ? ? ? ? 284  ? ? ? ? ? ? ? ? ? ? ? 9.4  0.85 ? ? 0.035 0.013 ? 1 ? 1.000 ? ? 99.5  ? 0.032 ? ? ? ? ? ? ? ? ? 
1.70 1.73  ? 2.1  ? ? ? ? 1602 ? ? ? ? ? ? ? ? ? ? ? 12.4 1.07 ? ? 1.375 0.538 ? 2 ? 0.738 ? ? 100.0 ? 1.265 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            -0.290 
_refine.aniso_B[1][2]                            -0.145 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.290 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.940 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               38.024 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.956 
_refine.correlation_coeff_Fo_to_Fc_free          0.946 
_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                                 9GPV 
_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                            1.700 
_refine.ls_d_res_low                             42.477 
_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                     31207 
_refine.ls_number_reflns_R_free                  1522 
_refine.ls_number_reflns_R_work                  29685 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.968 
_refine.ls_percent_reflns_R_free                 4.877 
_refine.ls_R_factor_all                          0.210 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2470 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2084 
_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                       0.113 
_refine.pdbx_overall_ESU_R_Free                  0.113 
_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                             5.320 
_refine.overall_SU_ML                            0.089 
_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                       1.700 
_refine_hist.d_res_low                        42.477 
_refine_hist.number_atoms_solvent             146 
_refine_hist.number_atoms_total               2096 
_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        1868 
_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' ? 0.015  0.012  1998 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1853 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 2.268  1.815  2709 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.771  1.743  4312 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.931  5.000  254  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 28.418 13.824 17   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.204 10.000 299  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.418 10.000 65   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.116  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' ? 0.205  0.200  352  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.198  0.200  1691 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.183  0.200  1019 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.093  0.200  1070 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.207  0.200  129  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.464  0.200  5    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.124  0.200  28   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.294  0.200  25   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.800  2.081  1022 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.793  2.081  1022 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.632  3.738  1274 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.631  3.740  1275 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.296  2.200  976  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.295  2.199  977  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.485  3.946  1435 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.484  3.945  1436 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.886  21.526 2230 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.891  20.456 2184 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 0.123  0.050  3498 ? 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 ? ? 0.12303 ? 0.05007 1 'Local ncs' ? B ? ? ? 1 
'X-RAY DIFFRACTION' 2 ? ? 0.12303 ? 0.05007 2 'Local ncs' ? A ? ? ? 1 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.700 1.744  2241 . 120 2120 99.9554  . 0.255 . . 0.251 . . . . . 0.243 . 20 . 0.955 0.935 0.315 
'X-RAY DIFFRACTION' 1.744 1.792  2175 . 114 2059 99.9081  . 0.235 . . 0.232 . . . . . 0.216 . 20 . 0.961 0.940 0.291 
'X-RAY DIFFRACTION' 1.792 1.844  2158 . 119 2038 99.9537  . 0.227 . . 0.224 . . . . . 0.206 . 20 . 0.965 0.949 0.284 
'X-RAY DIFFRACTION' 1.844 1.900  2093 . 97  1996 100.0000 . 0.204 . . 0.203 . . . . . 0.184 . 20 . 0.972 0.969 0.235 
'X-RAY DIFFRACTION' 1.900 1.962  2055 . 106 1949 100.0000 . 0.210 . . 0.209 . . . . . 0.186 . 20 . 0.971 0.957 0.244 
'X-RAY DIFFRACTION' 1.962 2.031  1942 . 94  1848 100.0000 . 0.215 . . 0.211 . . . . . 0.190 . 20 . 0.970 0.949 0.281 
'X-RAY DIFFRACTION' 2.031 2.108  1875 . 99  1776 100.0000 . 0.219 . . 0.216 . . . . . 0.195 . 20 . 0.970 0.948 0.267 
'X-RAY DIFFRACTION' 2.108 2.194  1831 . 111 1720 100.0000 . 0.207 . . 0.203 . . . . . 0.187 . 20 . 0.973 0.956 0.258 
'X-RAY DIFFRACTION' 2.194 2.291  1751 . 73  1678 100.0000 . 0.196 . . 0.193 . . . . . 0.177 . 20 . 0.976 0.960 0.281 
'X-RAY DIFFRACTION' 2.291 2.402  1707 . 85  1622 100.0000 . 0.197 . . 0.195 . . . . . 0.180 . 20 . 0.976 0.966 0.234 
'X-RAY DIFFRACTION' 2.402 2.532  1601 . 65  1536 100.0000 . 0.205 . . 0.203 . . . . . 0.190 . 20 . 0.975 0.965 0.243 
'X-RAY DIFFRACTION' 2.532 2.685  1536 . 68  1468 100.0000 . 0.215 . . 0.213 . . . . . 0.204 . 20 . 0.972 0.966 0.239 
'X-RAY DIFFRACTION' 2.685 2.869  1453 . 70  1383 100.0000 . 0.217 . . 0.215 . . . . . 0.210 . 20 . 0.970 0.965 0.241 
'X-RAY DIFFRACTION' 2.869 3.098  1346 . 71  1273 99.8514  . 0.208 . . 0.207 . . . . . 0.209 . 20 . 0.972 0.972 0.222 
'X-RAY DIFFRACTION' 3.098 3.392  1246 . 45  1201 100.0000 . 0.229 . . 0.226 . . . . . 0.233 . 20 . 0.969 0.963 0.288 
'X-RAY DIFFRACTION' 3.392 3.789  1154 . 42  1112 100.0000 . 0.231 . . 0.230 . . . . . 0.243 . 20 . 0.971 0.977 0.258 
'X-RAY DIFFRACTION' 3.789 4.370  1012 . 45  967  100.0000 . 0.182 . . 0.182 . . . . . 0.205 . 20 . 0.981 0.979 0.188 
'X-RAY DIFFRACTION' 4.370 5.338  891  . 40  851  100.0000 . 0.165 . . 0.163 . . . . . 0.196 . 20 . 0.984 0.976 0.209 
'X-RAY DIFFRACTION' 5.338 7.490  698  . 34  663  99.8567  . 0.234 . . 0.232 . . . . . 0.270 . 20 . 0.974 0.967 0.275 
'X-RAY DIFFRACTION' 7.490 42.477 451  . 24  425  99.5565  . 0.247 . . 0.245 . . . . . 0.336 . 20 . 0.947 0.954 0.291 
# 
loop_
_struct_ncs_dom.id 
_struct_ncs_dom.pdbx_ens_id 
_struct_ncs_dom.details 
1 1 B 
2 1 A 
# 
loop_
_struct_ncs_dom_lim.pdbx_ens_id 
_struct_ncs_dom_lim.dom_id 
_struct_ncs_dom_lim.pdbx_component_id 
_struct_ncs_dom_lim.beg_label_asym_id 
_struct_ncs_dom_lim.beg_label_comp_id 
_struct_ncs_dom_lim.beg_label_seq_id 
_struct_ncs_dom_lim.beg_label_alt_id 
_struct_ncs_dom_lim.end_label_asym_id 
_struct_ncs_dom_lim.end_label_comp_id 
_struct_ncs_dom_lim.end_label_seq_id 
_struct_ncs_dom_lim.end_label_alt_id 
_struct_ncs_dom_lim.beg_auth_asym_id 
_struct_ncs_dom_lim.beg_auth_comp_id 
_struct_ncs_dom_lim.beg_auth_seq_id 
_struct_ncs_dom_lim.end_auth_asym_id 
_struct_ncs_dom_lim.end_auth_comp_id 
_struct_ncs_dom_lim.end_auth_seq_id 
_struct_ncs_dom_lim.pdbx_refine_code 
_struct_ncs_dom_lim.selection_details 
1 1 1 A GLY 1 . A GLU 128 . B GLY 13 B GLU 140 ? ? 
1 2 1 B GLY 1 . B GLU 128 . A GLY 13 A GLU 140 ? ? 
# 
_struct_ncs_ens.id        1 
_struct_ncs_ens.details   'Local NCS retraints between domains:       1       2' 
# 
_struct.entry_id                     9GPV 
_struct.title                        'The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12c/l' 
_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        9GPV 
_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 9GPV B 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
2 1 9GPV 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 9GPV GLY B 1  ? UNP Q13451 ?   ?   'expression tag'      13  1  
1 9GPV ALA B 2  ? UNP Q13451 ?   ?   'expression tag'      14  2  
1 9GPV PRO B 3  ? UNP Q13451 ?   ?   'expression tag'      15  3  
1 9GPV THR B 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  4  
1 9GPV ALA B 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 5  
1 9GPV ILE B 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 6  
2 9GPV GLY A 1  ? UNP Q13451 ?   ?   'expression tag'      13  7  
2 9GPV ALA A 2  ? UNP Q13451 ?   ?   'expression tag'      14  8  
2 9GPV PRO A 3  ? UNP Q13451 ?   ?   'expression tag'      15  9  
2 9GPV THR A 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  10 
2 9GPV ALA A 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 11 
2 9GPV 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 -1.24 
2 LEU 107 B . ? LEU 119 A PRO 108 B ? PRO 120 A 1 2.84  
# 
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 LYS A 26  ? N LYS B 38  O ILE A 90  ? O ILE B 102 
AA1 3 4 N ILE A 95  ? N ILE B 107 O LEU A 116 ? O LEU B 128 
AA1 4 5 O GLU A 121 ? O GLU B 133 N HIS A 44  ? N HIS B 56  
AA1 5 6 N GLY A 47  ? N GLY B 59  O ASP A 56  ? O ASP B 68  
AA2 1 2 N GLU A 11  ? N GLU B 23  O LYS A 23  ? O LYS B 35  
AA2 2 3 N LYS A 26  ? N LYS B 38  O ILE A 90  ? O ILE B 102 
AA2 3 4 N ILE A 95  ? N ILE B 107 O LEU A 116 ? O LEU B 128 
AA2 4 5 O GLU A 121 ? O GLU B 133 N HIS A 44  ? N HIS B 56  
AA2 5 6 N VAL A 41  ? N VAL B 53  O PHE A 67  ? O PHE B 79  
AA3 1 2 N GLU B 11  ? N GLU A 23  O LYS B 23  ? O LYS A 35  
AA3 2 3 N ILE B 24  ? N ILE A 36  O HIS B 92  ? O HIS A 104 
AA3 3 4 N ILE B 95  ? N ILE A 107 O LEU B 116 ? O LEU A 128 
AA3 4 5 O GLU B 121 ? O GLU A 133 N HIS B 44  ? N HIS A 56  
AA3 5 6 N GLY B 47  ? N GLY A 59  O ASP B 56  ? O ASP A 68  
AA4 1 2 N GLU B 11  ? N GLU A 23  O LYS B 23  ? O LYS A 35  
AA4 2 3 N ILE B 24  ? N ILE A 36  O HIS B 92  ? O HIS A 104 
AA4 3 4 N ILE B 95  ? N ILE A 107 O LEU B 116 ? O LEU A 128 
AA4 4 5 O GLU B 121 ? O GLU A 133 N HIS B 44  ? N HIS A 56  
AA4 5 6 N VAL B 41  ? N VAL A 53  O PHE B 67  ? O PHE A 79  
# 
_pdbx_entry_details.entry_id                   9GPV 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O   B HOH 344 ? ? O B HOH 356 ? ? 1.60 
2 1 OD2 B ASP 51  ? ? O B HOH 301 ? ? 2.00 
3 1 O   B HOH 309 ? ? O B HOH 346 ? ? 2.01 
4 1 O   A HOH 358 ? ? O A HOH 367 ? ? 2.04 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    B 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     367 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    B 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     368 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   5_555 
_pdbx_validate_symm_contact.dist              2.14 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE B ARG 31 ? ? CZ B ARG 31 ? ? NH1 B ARG 31 ? ? 123.31 120.30 3.01  0.50 N 
2 1 CB A LYS 65 ? ? CA A LYS 65 ? ? C   A LYS 65 ? ? 122.75 110.40 12.35 2.00 N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 LYS B 66  ? ? 79.63   105.43  
2 1 ALA B 112 ? ? -132.08 -105.29 
3 1 SER B 118 ? ? -154.18 77.81   
4 1 ASN A 63  ? ? -53.91  -6.58   
5 1 ALA A 112 ? ? -129.08 -100.71 
# 
_pdbx_validate_main_chain_plane.id                       1 
_pdbx_validate_main_chain_plane.PDB_model_num            1 
_pdbx_validate_main_chain_plane.auth_comp_id             LEU 
_pdbx_validate_main_chain_plane.auth_asym_id             B 
_pdbx_validate_main_chain_plane.auth_seq_id              119 
_pdbx_validate_main_chain_plane.PDB_ins_code             ? 
_pdbx_validate_main_chain_plane.label_alt_id             ? 
_pdbx_validate_main_chain_plane.improper_torsion_angle   -10.61 
# 
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 -8.8804  16.4121 28.3187 0.0334 ? -0.0251 ? -0.0337 ? 0.0396 ? -0.0019 ? 0.1359 ? 2.7997 ? 0.3372  
? 0.5288 ? 3.7140 ? 0.2281  ? 4.0210 ? -0.2605 ? 0.1146  ? 0.4650  ? -0.1192 ? 0.0907 ? -0.3462 ? -0.2054 ? 0.2102  ? 0.1697  ? 
2 'X-RAY DIFFRACTION' ? refined -18.3731 0.9717  3.3062  0.1475 ? -0.0691 ? -0.0199 ? 0.0409 ? -0.0124 ? 0.0922 ? 3.1162 ? -0.9908 
? 0.2544 ? 5.2176 ? -1.3736 ? 3.4180 ? -0.0314 ? -0.0346 ? -0.0560 ? -0.5852 ? 0.1801 ? 0.5670  ? 0.2513  ? -0.0202 ? -0.1487 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 ? ? B 13 ? ? ? B 201 ? ALL ? 
2 'X-RAY DIFFRACTION' 2 ? ? A 13 ? ? ? A 201 ? ALL ? 
# 
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 
A1INT C4   C Y N 1   
A1INT C14  C Y N 2   
A1INT C5   C Y N 3   
A1INT C6   C Y N 4   
A1INT C11  C N R 5   
A1INT C7   C Y N 6   
A1INT C8   C N N 7   
A1INT C9   C N N 8   
A1INT C10  C N N 9   
A1INT C12  C N N 10  
A1INT C13  C Y N 11  
A1INT N1   N Y N 12  
A1INT N2   N Y N 13  
A1INT C3   C Y N 14  
A1INT N3   N Y N 15  
A1INT C1   C N N 16  
A1INT O1   O N N 17  
A1INT C2   C Y N 18  
A1INT O2   O N N 19  
A1INT O3   O N N 20  
A1INT C15  C N N 21  
A1INT C16  C N N 22  
A1INT C17  C N N 23  
A1INT O4   O N N 24  
A1INT C18  C N N 25  
A1INT O5   O N N 26  
A1INT C19  C N S 27  
A1INT C20  C N N 28  
A1INT C21  C N N 29  
A1INT C22  C N N 30  
A1INT C23  C N N 31  
A1INT N4   N N N 32  
A1INT C24  C N N 33  
A1INT O6   O N N 34  
A1INT C25  C N S 35  
A1INT C26  C N N 36  
A1INT C27  C N N 37  
A1INT C28  C N N 38  
A1INT C29  C N N 39  
A1INT C30  C N N 40  
A1INT C31  C N N 41  
A1INT H5   H N N 42  
A1INT H13  H N N 43  
A1INT H7   H N N 44  
A1INT H8   H N N 45  
A1INT H6   H N N 46  
A1INT H9   H N N 47  
A1INT H10  H N N 48  
A1INT H11  H N N 49  
A1INT H12  H N N 50  
A1INT H15  H N N 51  
A1INT H16  H N N 52  
A1INT H14  H N N 53  
A1INT H17  H N N 54  
A1INT H4   H N N 55  
A1INT H2   H N N 56  
A1INT H3   H N N 57  
A1INT H1   H N N 58  
A1INT H19  H N N 59  
A1INT H18  H N N 60  
A1INT H21  H N N 61  
A1INT H20  H N N 62  
A1INT H23  H N N 63  
A1INT H22  H N N 64  
A1INT H24  H N N 65  
A1INT H26  H N N 66  
A1INT H25  H N N 67  
A1INT H27  H N N 68  
A1INT H28  H N N 69  
A1INT H29  H N N 70  
A1INT H30  H N N 71  
A1INT H31  H N N 72  
A1INT H32  H N N 73  
A1INT H33  H N N 74  
A1INT H34  H N N 75  
A1INT H36  H N N 76  
A1INT H35  H N N 77  
A1INT H37  H N N 78  
A1INT H38  H N N 79  
A1INT H39  H N N 80  
A1INT H40  H N N 81  
A1INT H41  H N N 82  
A1INT H42  H N N 83  
A1INT H44  H N N 84  
A1INT 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 
A1INT C20 C21  sing N N 1   
A1INT C20 C19  sing N N 2   
A1INT C28 C27  sing N N 3   
A1INT C28 C29  sing N N 4   
A1INT C27 C26  sing N N 5   
A1INT C21 C22  sing N N 6   
A1INT C22 C23  sing N N 7   
A1INT C29 C30  sing N N 8   
A1INT C19 N4   sing N N 9   
A1INT C19 C18  sing N N 10  
A1INT N4  C23  sing N N 11  
A1INT N4  C24  sing N N 12  
A1INT O6  C24  doub N N 13  
A1INT C24 C25  sing N N 14  
A1INT C26 C25  sing N N 15  
A1INT C26 C31  sing N N 16  
A1INT C30 C31  sing N N 17  
A1INT C18 O5   doub N N 18  
A1INT C18 O4   sing N N 19  
A1INT C25 C4   sing N N 20  
A1INT O4  C17  sing N N 21  
A1INT C4  C5   doub Y N 22  
A1INT C4  C3   sing Y N 23  
A1INT C5  C6   sing Y N 24  
A1INT C3  C2   doub Y N 25  
A1INT C17 C16  sing N N 26  
A1INT C13 C14  doub Y N 27  
A1INT C13 N1   sing Y N 28  
A1INT C15 C16  sing N N 29  
A1INT C15 C14  sing N N 30  
A1INT C14 N2   sing Y N 31  
A1INT C6  O3   sing N N 32  
A1INT C6  C7   doub Y N 33  
A1INT C9  O3   sing N N 34  
A1INT C9  C10  sing N N 35  
A1INT C11 N1   sing N N 36  
A1INT C11 C10  sing N N 37  
A1INT C11 C12  sing N N 38  
A1INT N1  N3   sing Y N 39  
A1INT C2  C7   sing Y N 40  
A1INT C2  O1   sing N N 41  
A1INT C1  O1   sing N N 42  
A1INT C7  O2   sing N N 43  
A1INT N2  N3   doub Y N 44  
A1INT O2  C8   sing N N 45  
A1INT C5  H5   sing N N 46  
A1INT C11 H13  sing N N 47  
A1INT C8  H7   sing N N 48  
A1INT C8  H8   sing N N 49  
A1INT C8  H6   sing N N 50  
A1INT C9  H9   sing N N 51  
A1INT C9  H10  sing N N 52  
A1INT C10 H11  sing N N 53  
A1INT C10 H12  sing N N 54  
A1INT C12 H15  sing N N 55  
A1INT C12 H16  sing N N 56  
A1INT C12 H14  sing N N 57  
A1INT C13 H17  sing N N 58  
A1INT C3  H4   sing N N 59  
A1INT C1  H2   sing N N 60  
A1INT C1  H3   sing N N 61  
A1INT C1  H1   sing N N 62  
A1INT C15 H19  sing N N 63  
A1INT C15 H18  sing N N 64  
A1INT C16 H21  sing N N 65  
A1INT C16 H20  sing N N 66  
A1INT C17 H23  sing N N 67  
A1INT C17 H22  sing N N 68  
A1INT C19 H24  sing N N 69  
A1INT C20 H26  sing N N 70  
A1INT C20 H25  sing N N 71  
A1INT C21 H27  sing N N 72  
A1INT C21 H28  sing N N 73  
A1INT C22 H29  sing N N 74  
A1INT C22 H30  sing N N 75  
A1INT C23 H31  sing N N 76  
A1INT C23 H32  sing N N 77  
A1INT C25 H33  sing N N 78  
A1INT C26 H34  sing N N 79  
A1INT C27 H36  sing N N 80  
A1INT C27 H35  sing N N 81  
A1INT C28 H37  sing N N 82  
A1INT C28 H38  sing N N 83  
A1INT C29 H39  sing N N 84  
A1INT C29 H40  sing N N 85  
A1INT C30 H41  sing N N 86  
A1INT C30 H42  sing N N 87  
A1INT C31 H44  sing N N 88  
A1INT 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                    9GPV 
_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]   0.020405 
_atom_sites.fract_transf_matrix[1][2]   0.011781 
_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]   0.023562 
_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]   0.005095 
_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   ? 2.903   5.125   36.032  1 45.171 ? 13  GLY   B N    1 ? 1 
ATOM   2    C CA   . GLY   A 1 1   ? 2.955   6.548   36.331  1 42.93  ? 13  GLY   B CA   1 ? 1 
ATOM   3    C C    . GLY   A 1 1   ? 1.564   7.13    36.132  1 43.647 ? 13  GLY   B C    1 ? 1 
ATOM   4    O O    . GLY   A 1 1   ? 0.605   6.615   36.689  1 40.031 ? 13  GLY   B O    1 ? 1 
ATOM   5    H H1   . GLY   A 1 1   ? 3.723   4.757   36.14   1 46.655 ? 13  GLY   B H1   1 c 1 
ATOM   6    H H2   . GLY   A 1 1   ? 2.636   4.995   35.176  1 43.836 ? 13  GLY   B H2   1 c 1 
ATOM   7    H H3   . GLY   A 1 1   ? 2.321   4.71    36.588  1 44.178 ? 13  GLY   B H3   1 c 1 
ATOM   8    H HA2  . GLY   A 1 1   ? 3.249   6.682   37.262  1 45.165 ? 13  GLY   B HA2  1 c 1 
ATOM   9    H HA3  . GLY   A 1 1   ? 3.599   6.991   35.73   1 44.826 ? 13  GLY   B HA3  1 c 1 
ATOM   10   N N    . ALA   A 1 2   ? 1.484   8.204   35.362  1 38.539 ? 14  ALA   B N    1 ? 1 
ATOM   11   C CA   . ALA   A 1 2   ? 0.37    9.109   35.554  1 36.946 ? 14  ALA   B CA   1 ? 1 
ATOM   12   C C    . ALA   A 1 2   ? -0.917  8.379   35.235  1 33.669 ? 14  ALA   B C    1 ? 1 
ATOM   13   O O    . ALA   A 1 2   ? -1.959  8.623   35.9    1 35.51  ? 14  ALA   B O    1 ? 1 
ATOM   14   C CB   . ALA   A 1 2   ? 0.613   10.367  34.728  1 38.585 ? 14  ALA   B CB   1 ? 1 
ATOM   15   H H    . ALA   A 1 2   ? 2.112   8.377   34.721  1 40.415 ? 14  ALA   B H    1 c 1 
ATOM   16   H HA   . ALA   A 1 2   ? 0.345   9.362   36.518  1 37.349 ? 14  ALA   B HA   1 c 1 
ATOM   17   H HB1  . ALA   A 1 2   ? 1.322   10.893  35.137  1 39.36  ? 14  ALA   B HB1  1 c 1 
ATOM   18   H HB2  . ALA   A 1 2   ? 0.876   10.128  33.825  1 38.213 ? 14  ALA   B HB2  1 c 1 
ATOM   19   H HB3  . ALA   A 1 2   ? -0.2    10.898  34.696  1 36.642 ? 14  ALA   B HB3  1 c 1 
ATOM   20   N N    . PRO   A 1 3   ? -1.021  7.708   34.07   1 36.724 ? 15  PRO   B N    1 ? 1 
ATOM   21   C CA   . PRO   A 1 3   ? -2.275  7.04    33.712  1 32.614 ? 15  PRO   B CA   1 ? 1 
ATOM   22   C C    . PRO   A 1 3   ? -2.792  6.048   34.76   1 30.475 ? 15  PRO   B C    1 ? 1 
ATOM   23   O O    . PRO   A 1 3   ? -3.976  6.073   35.133  1 33.598 ? 15  PRO   B O    1 ? 1 
ATOM   24   C CB   . PRO   A 1 3   ? -1.971  6.379   32.4    1 34.952 ? 15  PRO   B CB   1 ? 1 
ATOM   25   C CG   . PRO   A 1 3   ? -0.942  7.328   31.807  1 39.116 ? 15  PRO   B CG   1 ? 1 
ATOM   26   C CD   . PRO   A 1 3   ? -0.053  7.662   32.963  1 39.784 ? 15  PRO   B CD   1 ? 1 
ATOM   27   H HA   . PRO   A 1 3   ? -2.961  7.723   33.562  1 31.745 ? 15  PRO   B HA   1 c 1 
ATOM   28   H HB2  . PRO   A 1 3   ? -1.596  5.486   32.532  1 36.219 ? 15  PRO   B HB2  1 c 1 
ATOM   29   H HB3  . PRO   A 1 3   ? -2.768  6.323   31.839  1 34.032 ? 15  PRO   B HB3  1 c 1 
ATOM   30   H HG2  . PRO   A 1 3   ? -0.435  6.895   31.092  1 39.106 ? 15  PRO   B HG2  1 c 1 
ATOM   31   H HG3  . PRO   A 1 3   ? -1.369  8.133   31.453  1 37.169 ? 15  PRO   B HG3  1 c 1 
ATOM   32   H HD2  . PRO   A 1 3   ? 0.62    6.97    33.113  1 40.936 ? 15  PRO   B HD2  1 c 1 
ATOM   33   H HD3  . PRO   A 1 3   ? 0.385   8.521   32.838  1 39.837 ? 15  PRO   B HD3  1 c 1 
ATOM   34   N N    . ALA   A 1 4   ? -1.892  5.222   35.307  1 33.666 ? 16  ALA   B N    1 ? 1 
ATOM   35   C CA   . ALA   A 1 4   ? -2.276  4.273   36.326  1 37.024 ? 16  ALA   B CA   1 ? 1 
ATOM   36   C C    . ALA   A 1 4   ? -2.743  5.028   37.582  1 36.825 ? 16  ALA   B C    1 ? 1 
ATOM   37   O O    . ALA   A 1 4   ? -3.599  4.523   38.3    1 33.028 ? 16  ALA   B O    1 ? 1 
ATOM   38   C CB   . ALA   A 1 4   ? -1.118  3.37    36.657  1 38.827 ? 16  ALA   B CB   1 ? 1 
ATOM   39   H H    . ALA   A 1 4   ? -1.021  5.252   35.033  1 35.06  ? 16  ALA   B H    1 c 1 
ATOM   40   H HA   . ALA   A 1 4   ? -3.036  3.727   35.982  1 35.609 ? 16  ALA   B HA   1 c 1 
ATOM   41   H HB1  . ALA   A 1 4   ? -0.838  2.891   35.86   1 39.434 ? 16  ALA   B HB1  1 c 1 
ATOM   42   H HB2  . ALA   A 1 4   ? -0.375  3.901   36.99   1 39.945 ? 16  ALA   B HB2  1 c 1 
ATOM   43   H HB3  . ALA   A 1 4   ? -1.387  2.731   37.338  1 39.712 ? 16  ALA   B HB3  1 c 1 
ATOM   44   N N    . THR   A 1 5   ? -2.084  6.159   37.937  1 34.427 ? 17  THR   B N    1 ? 1 
ATOM   45   C CA   . THR   A 1 5   ? -2.47   6.924   39.09   1 32.655 ? 17  THR   B CA   1 ? 1 
ATOM   46   C C    . THR   A 1 5   ? -3.936  7.393   38.934  1 30.334 ? 17  THR   B C    1 ? 1 
ATOM   47   O O    . THR   A 1 5   ? -4.671  7.428   39.921  1 33.209 ? 17  THR   B O    1 ? 1 
ATOM   48   C CB   . THR   A 1 5   ? -1.492  8.09    39.301  1 37.491 ? 17  THR   B CB   1 ? 1 
ATOM   49   O OG1  . THR   A 1 5   ? -0.204  7.494   39.591  1 39.134 ? 17  THR   B OG1  1 ? 1 
ATOM   50   C CG2  . THR   A 1 5   ? -1.914  9.001   40.435  1 36.98  ? 17  THR   B CG2  1 ? 1 
ATOM   51   H H    . THR   A 1 5   ? -1.373  6.442   37.437  1 35.09  ? 17  THR   B H    1 c 1 
ATOM   52   H HA   . THR   A 1 5   ? -2.417  6.336   39.875  1 34.728 ? 17  THR   B HA   1 c 1 
ATOM   53   H HB   . THR   A 1 5   ? -1.425  8.62    38.471  1 35.677 ? 17  THR   B HB   1 c 1 
ATOM   54   H HG1  . THR   A 1 5   ? -0.236  6.994   40.269  0 20     ? 17  THR   B HG1  1 c 1 
ATOM   55   H HG21 . THR   A 1 5   ? -1.149  9.518   40.739  1 38.409 ? 17  THR   B HG21 1 c 1 
ATOM   56   H HG22 . THR   A 1 5   ? -2.256  8.466   41.171  1 37.691 ? 17  THR   B HG22 1 c 1 
ATOM   57   H HG23 . THR   A 1 5   ? -2.609  9.605   40.125  1 35.825 ? 17  THR   B HG23 1 c 1 
ATOM   58   N N    . VAL   A 1 6   ? -4.318  7.783   37.71   1 29.335 ? 18  VAL   B N    1 ? 1 
ATOM   59   C CA   . VAL   A 1 6   ? -5.665  8.265   37.494  1 26.074 ? 18  VAL   B CA   1 ? 1 
ATOM   60   C C    . VAL   A 1 6   ? -6.626  7.073   37.614  1 28.591 ? 18  VAL   B C    1 ? 1 
ATOM   61   O O    . VAL   A 1 6   ? -7.715  7.187   38.208  1 26.622 ? 18  VAL   B O    1 ? 1 
ATOM   62   C CB   . VAL   A 1 6   ? -5.822  9.006   36.16   1 26.993 ? 18  VAL   B CB   1 ? 1 
ATOM   63   C CG1  . VAL   A 1 6   ? -7.256  9.382   35.923  1 26.428 ? 18  VAL   B CG1  1 ? 1 
ATOM   64   C CG2  . VAL   A 1 6   ? -4.937  10.241  36.09   1 27.131 ? 18  VAL   B CG2  1 ? 1 
ATOM   65   H H    . VAL   A 1 6   ? -3.734  7.753   37.008  1 28.984 ? 18  VAL   B H    1 c 1 
ATOM   66   H HA   . VAL   A 1 6   ? -5.877  8.893   38.21   1 27.475 ? 18  VAL   B HA   1 c 1 
ATOM   67   H HB   . VAL   A 1 6   ? -5.543  8.387   35.445  1 26.643 ? 18  VAL   B HB   1 c 1 
ATOM   68   H HG11 . VAL   A 1 6   ? -7.654  9.689   36.755  1 26.389 ? 18  VAL   B HG11 1 c 1 
ATOM   69   H HG12 . VAL   A 1 6   ? -7.746  8.608   35.597  1 25.85  ? 18  VAL   B HG12 1 c 1 
ATOM   70   H HG13 . VAL   A 1 6   ? -7.301  10.093  35.262  1 25.674 ? 18  VAL   B HG13 1 c 1 
ATOM   71   H HG21 . VAL   A 1 6   ? -4.993  10.631  35.201  1 26.712 ? 18  VAL   B HG21 1 c 1 
ATOM   72   H HG22 . VAL   A 1 6   ? -4.017  9.994   36.275  1 28.426 ? 18  VAL   B HG22 1 c 1 
ATOM   73   H HG23 . VAL   A 1 6   ? -5.235  10.892  36.748  1 27.353 ? 18  VAL   B HG23 1 c 1 
ATOM   74   N N    . THR   A 1 7   ? -6.268  5.933   37.038  1 29.127 ? 19  THR   B N    1 ? 1 
ATOM   75   C CA   . THR   A 1 7   ? -7.056  4.71    37.195  1 30.326 ? 19  THR   B CA   1 ? 1 
ATOM   76   C C    . THR   A 1 7   ? -7.34   4.472   38.681  1 31.66  ? 19  THR   B C    1 ? 1 
ATOM   77   O O    . THR   A 1 7   ? -8.486  4.206   39.062  1 28.612 ? 19  THR   B O    1 ? 1 
ATOM   78   C CB   . THR   A 1 7   ? -6.39   3.463   36.573  1 30.78  ? 19  THR   B CB   1 ? 1 
ATOM   79   O OG1  . THR   A 1 7   ? -6.302  3.762   35.195  1 29.763 ? 19  THR   B OG1  1 ? 1 
ATOM   80   C CG2  . THR   A 1 7   ? -7.2    2.214   36.76   1 34.214 ? 19  THR   B CG2  1 ? 1 
ATOM   81   H H    . THR   A 1 7   ? -5.514  5.907   36.522  1 29.59  ? 19  THR   B H    1 c 1 
ATOM   82   H HA   . THR   A 1 7   ? -7.915  4.85    36.74   1 29.061 ? 19  THR   B HA   1 c 1 
ATOM   83   H HB   . THR   A 1 7   ? -5.484  3.336   36.945  1 32.522 ? 19  THR   B HB   1 c 1 
ATOM   84   H HG1  . THR   A 1 7   ? -7.101  3.901   34.888  0 20     ? 19  THR   B HG1  1 c 1 
ATOM   85   H HG21 . THR   A 1 7   ? -6.947  1.56    36.087  1 33.725 ? 19  THR   B HG21 1 c 1 
ATOM   86   H HG22 . THR   A 1 7   ? -8.145  2.423   36.668  1 32.433 ? 19  THR   B HG22 1 c 1 
ATOM   87   H HG23 . THR   A 1 7   ? -7.034  1.848   37.645  1 34.482 ? 19  THR   B HG23 1 c 1 
ATOM   88   N N    . GLU   A 1 8   ? -6.327  4.57    39.53   1 30.622 ? 20  GLU   B N    1 ? 1 
ATOM   89   C CA   . GLU   A 1 8   ? -6.42   4.187   40.941  1 32.169 ? 20  GLU   B CA   1 ? 1 
ATOM   90   C C    . GLU   A 1 8   ? -7.141  5.246   41.782  1 33.48  ? 20  GLU   B C    1 ? 1 
ATOM   91   O O    . GLU   A 1 8   ? -7.806  4.903   42.765  1 34.859 ? 20  GLU   B O    1 ? 1 
ATOM   92   C CB   . GLU   A 1 8   ? -5      4.088   41.525  1 35.502 ? 20  GLU   B CB   1 ? 1 
ATOM   93   H H    . GLU   A 1 8   ? -5.529  4.892   39.221  1 31.331 ? 20  GLU   B H    1 c 1 
ATOM   94   H HA   . GLU   A 1 8   ? -6.893  3.319   41.015  1 33.176 ? 20  GLU   B HA   1 c 1 
ATOM   95   H HB2  . GLU   A 1 8   ? -4.349  4.208   40.8    0 20     ? 20  GLU   B HB2  1 c 1 
ATOM   96   H HB3  . GLU   A 1 8   ? -5.069  3.916   42.486  0 20     ? 20  GLU   B HB3  1 c 1 
ATOM   97   N N    . GLN   A 1 9   ? -6.905  6.532   41.473  1 30.399 ? 21  GLN   B N    1 ? 1 
ATOM   98   C CA   . GLN   A 1 9   ? -7.196  7.622   42.386  1 32.09  ? 21  GLN   B CA   1 ? 1 
ATOM   99   C C    . GLN   A 1 9   ? -8.165  8.65    41.811  1 29.238 ? 21  GLN   B C    1 ? 1 
ATOM   100  O O    . GLN   A 1 9   ? -8.63   9.508   42.574  1 32.129 ? 21  GLN   B O    1 ? 1 
ATOM   101  C CB   . GLN   A 1 9   ? -5.952  8.378   42.848  1 35.088 ? 21  GLN   B CB   1 ? 1 
ATOM   102  C CG   . GLN   A 1 9   ? -4.891  7.463   43.421  1 38.565 ? 21  GLN   B CG   1 ? 1 
ATOM   103  C CD   . GLN   A 1 9   ? -3.717  8.25    43.946  1 39.581 ? 21  GLN   B CD   1 ? 1 
ATOM   104  O OE1  . GLN   A 1 9   ? -3.693  9.481   43.909  1 44.937 ? 21  GLN   B OE1  1 ? 1 
ATOM   105  N NE2  . GLN   A 1 9   ? -2.755  7.55    44.501  1 44.872 ? 21  GLN   B NE2  1 ? 1 
ATOM   106  H H    . GLN   A 1 9   ? -6.524  6.73    40.667  1 30.414 ? 21  GLN   B H    1 c 1 
ATOM   107  H HA   . GLN   A 1 9   ? -7.616  7.236   43.196  1 32.905 ? 21  GLN   B HA   1 c 1 
ATOM   108  H HB2  . GLN   A 1 9   ? -5.577  8.869   42.087  1 34.198 ? 21  GLN   B HB2  1 c 1 
ATOM   109  H HB3  . GLN   A 1 9   ? -6.214  9.033   43.529  1 35.523 ? 21  GLN   B HB3  1 c 1 
ATOM   110  H HG2  . GLN   A 1 9   ? -5.276  6.931   44.15   1 39.018 ? 21  GLN   B HG2  1 c 1 
ATOM   111  H HG3  . GLN   A 1 9   ? -4.579  6.846   42.726  1 37.734 ? 21  GLN   B HG3  1 c 1 
ATOM   112  H HE21 . GLN   A 1 9   ? -2.014  7.956   44.774  1 45.019 ? 21  GLN   B HE21 1 c 1 
ATOM   113  H HE22 . GLN   A 1 9   ? -2.845  6.674   44.603  1 44.332 ? 21  GLN   B HE22 1 c 1 
ATOM   114  N N    . GLY   A 1 10  ? -8.392  8.627   40.5    1 27.187 ? 22  GLY   B N    1 ? 1 
ATOM   115  C CA   . GLY   A 1 10  ? -9.199  9.66    39.842  1 28.107 ? 22  GLY   B CA   1 ? 1 
ATOM   116  C C    . GLY   A 1 10  ? -10.68  9.614   40.232  1 23.386 ? 22  GLY   B C    1 ? 1 
ATOM   117  O O    . GLY   A 1 10  ? -11.208 8.512   40.485  1 25.844 ? 22  GLY   B O    1 ? 1 
ATOM   118  H H    . GLY   A 1 10  ? -8.047  7.953   39.991  1 27.648 ? 22  GLY   B H    1 c 1 
ATOM   119  H HA2  . GLY   A 1 10  ? -8.828  10.542  40.076  1 26.733 ? 22  GLY   B HA2  1 c 1 
ATOM   120  H HA3  . GLY   A 1 10  ? -9.118  9.551   38.866  1 25.546 ? 22  GLY   B HA3  1 c 1 
ATOM   121  N N    . GLU   A 1 11  ? -11.279 10.814  40.18   1 25.316 ? 23  GLU   B N    1 ? 1 
ATOM   122  C CA   . GLU   A 1 11  ? -12.731 10.998  40.395  1 26.899 ? 23  GLU   B CA   1 ? 1 
ATOM   123  C C    . GLU   A 1 11  ? -13.415 10.655  39.055  1 23.971 ? 23  GLU   B C    1 ? 1 
ATOM   124  O O    . GLU   A 1 11  ? -13.019 11.092  37.965  1 24.926 ? 23  GLU   B O    1 ? 1 
ATOM   125  C CB   . GLU   A 1 11  ? -13.046 12.466  40.712  1 26.49  ? 23  GLU   B CB   1 ? 1 
ATOM   126  C CG   . GLU   A 1 11  ? -14.509 12.735  41.03   1 34.082 ? 23  GLU   B CG   1 ? 1 
ATOM   127  C CD   . GLU   A 1 11  ? -14.651 14.215  41.311  1 45.673 ? 23  GLU   B CD   1 ? 1 
ATOM   128  O OE1  . GLU   A 1 11  ? -13.588 14.868  41.577  1 44.684 ? 23  GLU   B OE1  1 ? 1 
ATOM   129  O OE2  . GLU   A 1 11  ? -15.813 14.664  41.354  1 44.024 ? 23  GLU   B OE2  1 ? 1 
ATOM   130  H H    . GLU   A 1 11  ? -10.771 11.553  40.002  1 24.999 ? 23  GLU   B H    1 c 1 
ATOM   131  H HA   . GLU   A 1 11  ? -13.043 10.388  41.109  1 26.988 ? 23  GLU   B HA   1 c 1 
ATOM   132  H HB2  . GLU   A 1 11  ? -12.498 12.739  41.477  1 29.168 ? 23  GLU   B HB2  1 c 1 
ATOM   133  H HB3  . GLU   A 1 11  ? -12.781 13.015  39.945  1 27.494 ? 23  GLU   B HB3  1 c 1 
ATOM   134  H HG2  . GLU   A 1 11  ? -15.073 12.49   40.266  1 33.522 ? 23  GLU   B HG2  1 c 1 
ATOM   135  H HG3  . GLU   A 1 11  ? -14.784 12.221  41.819  1 35.252 ? 23  GLU   B HG3  1 c 1 
ATOM   136  N N    . ASP   A 1 12  ? -14.541 9.942   39.108  1 24.914 ? 24  ASP   B N    1 ? 1 
ATOM   137  C CA   . ASP   A 1 12  ? -15.358 9.722   37.945  1 22.549 ? 24  ASP   B CA   1 ? 1 
ATOM   138  C C    . ASP   A 1 12  ? -16.304 10.886  37.739  1 25.411 ? 24  ASP   B C    1 ? 1 
ATOM   139  O O    . ASP   A 1 12  ? -17.127 11.113  38.608  1 27.252 ? 24  ASP   B O    1 ? 1 
ATOM   140  C CB   . ASP   A 1 12  ? -16.16  8.47    38.133  1 22.876 ? 24  ASP   B CB   1 ? 1 
ATOM   141  C CG   . ASP   A 1 12  ? -17.048 8.057   36.95   1 24.374 ? 24  ASP   B CG   1 ? 1 
ATOM   142  O OD1  . ASP   A 1 12  ? -17.138 8.834   35.915  1 25.627 ? 24  ASP   B OD1  1 ? 1 
ATOM   143  O OD2  . ASP   A 1 12  ? -17.642 6.989   37.038  1 27.308 ? 24  ASP   B OD2  1 ? 1 
ATOM   144  H H    . ASP   A 1 12  ? -14.805 9.583   39.906  1 25.328 ? 24  ASP   B H    1 c 1 
ATOM   145  H HA   . ASP   A 1 12  ? -14.779 9.623   37.157  1 22.479 ? 24  ASP   B HA   1 c 1 
ATOM   146  H HB2  . ASP   A 1 12  ? -15.54  7.732   38.313  1 23.532 ? 24  ASP   B HB2  1 c 1 
ATOM   147  H HB3  . ASP   A 1 12  ? -16.733 8.574   38.921  1 24.412 ? 24  ASP   B HB3  1 c 1 
ATOM   148  N N    . ILE   A 1 13  ? -16.07  11.658  36.68   1 24.136 ? 25  ILE   B N    1 ? 1 
ATOM   149  C CA   . ILE   A 1 13  ? -16.825 12.887  36.485  1 24.392 ? 25  ILE   B CA   1 ? 1 
ATOM   150  C C    . ILE   A 1 13  ? -17.923 12.697  35.42   1 25.296 ? 25  ILE   B C    1 ? 1 
ATOM   151  O O    . ILE   A 1 13  ? -18.51  13.692  34.949  1 27.171 ? 25  ILE   B O    1 ? 1 
ATOM   152  C CB   . ILE   A 1 13  ? -15.901 14.069  36.194  1 25.213 ? 25  ILE   B CB   1 ? 1 
ATOM   153  C CG1  . ILE   A 1 13  ? -15.031 13.763  34.932  1 25.322 ? 25  ILE   B CG1  1 ? 1 
ATOM   154  C CG2  . ILE   A 1 13  ? -15.03  14.391  37.41   1 26.974 ? 25  ILE   B CG2  1 ? 1 
ATOM   155  C CD1  . ILE   A 1 13  ? -14.336 15.03   34.424  1 28.427 ? 25  ILE   B CD1  1 ? 1 
ATOM   156  H H    . ILE   A 1 13  ? -15.445 11.411  36.06   1 23.489 ? 25  ILE   B H    1 c 1 
ATOM   157  H HA   . ILE   A 1 13  ? -17.277 13.085  37.327  1 25.866 ? 25  ILE   B HA   1 c 1 
ATOM   158  H HB   . ILE   A 1 13  ? -16.456 14.85   35.999  1 25.89  ? 25  ILE   B HB   1 c 1 
ATOM   159  H HG12 . ILE   A 1 13  ? -14.353 13.094  35.16   1 25.378 ? 25  ILE   B HG12 1 c 1 
ATOM   160  H HG13 . ILE   A 1 13  ? -15.599 13.399  34.224  1 25.367 ? 25  ILE   B HG13 1 c 1 
ATOM   161  H HG21 . ILE   A 1 13  ? -14.553 15.224  37.257  1 26.795 ? 25  ILE   B HG21 1 c 1 
ATOM   162  H HG22 . ILE   A 1 13  ? -14.389 13.675  37.551  1 26.344 ? 25  ILE   B HG22 1 c 1 
ATOM   163  H HG23 . ILE   A 1 13  ? -15.591 14.482  38.198  1 27.551 ? 25  ILE   B HG23 1 c 1 
ATOM   164  H HD11 . ILE   A 1 13  ? -14.989 15.751  34.344  1 27.962 ? 25  ILE   B HD11 1 c 1 
ATOM   165  H HD12 . ILE   A 1 13  ? -13.937 14.857  33.55   1 26.947 ? 25  ILE   B HD12 1 c 1 
ATOM   166  H HD13 . ILE   A 1 13  ? -13.637 15.294  35.051  1 27.785 ? 25  ILE   B HD13 1 c 1 
ATOM   167  N N    . THR   A 1 14  ? -18.228 11.469  35.065  1 22.934 ? 26  THR   B N    1 ? 1 
ATOM   168  C CA   . THR   A 1 14  ? -19.299 11.204  34.101  1 23.904 ? 26  THR   B CA   1 ? 1 
ATOM   169  C C    . THR   A 1 14  ? -20.655 11.259  34.795  1 26.383 ? 26  THR   B C    1 ? 1 
ATOM   170  O O    . THR   A 1 14  ? -20.785 10.861  35.947  1 30.271 ? 26  THR   B O    1 ? 1 
ATOM   171  C CB   . THR   A 1 14  ? -19.136 9.85    33.381  1 25.797 ? 26  THR   B CB   1 ? 1 
ATOM   172  O OG1  . THR   A 1 14  ? -19.178 8.768   34.31   1 24.395 ? 26  THR   B OG1  1 ? 1 
ATOM   173  C CG2  . THR   A 1 14  ? -17.874 9.863   32.552  1 26.218 ? 26  THR   B CG2  1 ? 1 
ATOM   174  H H    . THR   A 1 14  ? -17.77  10.762  35.419  1 23.475 ? 26  THR   B H    1 c 1 
ATOM   175  H HA   . THR   A 1 14  ? -19.272 11.911  33.419  1 24.095 ? 26  THR   B HA   1 c 1 
ATOM   176  H HB   . THR   A 1 14  ? -19.891 9.748   32.755  1 25.634 ? 26  THR   B HB   1 c 1 
ATOM   177  H HG1  . THR   A 1 14  ? -18.537 8.856   34.878  0 20     ? 26  THR   B HG1  1 c 1 
ATOM   178  H HG21 . THR   A 1 14  ? -17.762 9.001   32.117  1 25.61  ? 26  THR   B HG21 1 c 1 
ATOM   179  H HG22 . THR   A 1 14  ? -17.109 10.036  33.127  1 25.453 ? 26  THR   B HG22 1 c 1 
ATOM   180  H HG23 . THR   A 1 14  ? -17.935 10.56   31.878  1 25.54  ? 26  THR   B HG23 1 c 1 
ATOM   181  N N    . SER   A 1 15  ? -21.655 11.663  34.009  1 25.797 ? 27  SER   B N    1 ? 1 
ATOM   182  C CA   . SER   A 1 15  ? -23.019 11.644  34.554  1 27.712 ? 27  SER   B CA   1 ? 1 
ATOM   183  C C    . SER   A 1 15  ? -23.485 10.187  34.75   1 30.454 ? 27  SER   B C    1 ? 1 
ATOM   184  O O    . SER   A 1 15  ? -24.256 9.9     35.67   1 32.961 ? 27  SER   B O    1 ? 1 
ATOM   185  C CB   . SER   A 1 15  ? -23.955 12.364  33.584  1 34.321 ? 27  SER   B CB   1 ? 1 
ATOM   186  O OG   . SER   A 1 15  ? -23.583 13.752  33.602  1 37.173 ? 27  SER   B OG   1 ? 1 
ATOM   187  H H    . SER   A 1 15  ? -21.506 11.944  33.152  1 25.649 ? 27  SER   B H    1 c 1 
ATOM   188  H HA   . SER   A 1 15  ? -23.028 12.111  35.428  1 29.677 ? 27  SER   B HA   1 c 1 
ATOM   189  H HB2  . SER   A 1 15  ? -23.85  11.999  32.685  1 32.874 ? 27  SER   B HB2  1 c 1 
ATOM   190  H HB3  . SER   A 1 15  ? -24.88  12.258  33.87   1 34.947 ? 27  SER   B HB3  1 c 1 
ATOM   191  H HG   . SER   A 1 15  ? -24.068 14.193  33.068  0 20     ? 27  SER   B HG   1 c 1 
ATOM   192  N N    . LYS   A 1 16  ? -23.15  9.299   33.799  1 27.77  ? 28  LYS   B N    1 ? 1 
ATOM   193  C CA   . LYS   A 1 16  ? -23.513 7.898   33.91   1 31.079 ? 28  LYS   B CA   1 ? 1 
ATOM   194  C C    . LYS   A 1 16  ? -22.723 7.135   34.969  1 29.739 ? 28  LYS   B C    1 ? 1 
ATOM   195  O O    . LYS   A 1 16  ? -23.126 6.029   35.322  1 29.318 ? 28  LYS   B O    1 ? 1 
ATOM   196  C CB   . LYS   A 1 16  ? -23.347 7.174   32.573  1 34.203 ? 28  LYS   B CB   1 ? 1 
ATOM   197  C CG   . LYS   A 1 16  ? -24.388 7.595   31.566  1 41.35  ? 28  LYS   B CG   1 ? 1 
ATOM   198  C CD   . LYS   A 1 16  ? -24.109 6.983   30.196  1 47.82  ? 28  LYS   B CD   1 ? 1 
ATOM   199  C CE   . LYS   A 1 16  ? -24.581 7.941   29.161  1 58.387 ? 28  LYS   B CE   1 ? 1 
ATOM   200  N NZ   . LYS   A 1 16  ? -24.08  7.52    27.851  1 77.102 ? 28  LYS   B NZ   1 ? 1 
ATOM   201  H H    . LYS   A 1 16  ? -22.688 9.579   33.062  1 27.846 ? 28  LYS   B H    1 c 1 
ATOM   202  H HA   . LYS   A 1 16  ? -24.472 7.852   34.153  1 32.414 ? 28  LYS   B HA   1 c 1 
ATOM   203  H HB2  . LYS   A 1 16  ? -22.457 7.366   32.209  1 33.318 ? 28  LYS   B HB2  1 c 1 
ATOM   204  H HB3  . LYS   A 1 16  ? -23.417 6.206   32.714  1 35.023 ? 28  LYS   B HB3  1 c 1 
ATOM   205  H HG2  . LYS   A 1 16  ? -25.272 7.305   31.88   1 42.638 ? 28  LYS   B HG2  1 c 1 
ATOM   206  H HG3  . LYS   A 1 16  ? -24.388 8.574   31.499  1 41.033 ? 28  LYS   B HG3  1 c 1 
ATOM   207  H HD2  . LYS   A 1 16  ? -23.146 6.826   30.085  1 46.929 ? 28  LYS   B HD2  1 c 1 
ATOM   208  H HD3  . LYS   A 1 16  ? -24.591 6.133   30.103  1 49.171 ? 28  LYS   B HD3  1 c 1 
ATOM   209  H HE2  . LYS   A 1 16  ? -25.555 7.962   29.144  1 60.938 ? 28  LYS   B HE2  1 c 1 
ATOM   210  H HE3  . LYS   A 1 16  ? -24.252 8.838   29.352  1 58.684 ? 28  LYS   B HE3  1 c 1 
ATOM   211  H HZ1  . LYS   A 1 16  ? -24.374 6.682   27.665  1 70.861 ? 28  LYS   B HZ1  1 c 1 
ATOM   212  H HZ2  . LYS   A 1 16  ? -23.174 7.526   27.849  1 68.884 ? 28  LYS   B HZ2  1 c 1 
ATOM   213  H HZ3  . LYS   A 1 16  ? -24.382 8.088   27.213  1 70.668 ? 28  LYS   B HZ3  1 c 1 
ATOM   214  N N    . LYS   A 1 17  ? -21.623 7.676   35.478  1 28.94  ? 29  LYS   B N    1 ? 1 
ATOM   215  C CA   . LYS   A 1 17  ? -20.794 6.965   36.46   1 26.714 ? 29  LYS   B CA   1 ? 1 
ATOM   216  C C    . LYS   A 1 17  ? -20.327 5.625   35.884  1 27.543 ? 29  LYS   B C    1 ? 1 
ATOM   217  O O    . LYS   A 1 17  ? -20.377 4.58    36.538  1 30.92  ? 29  LYS   B O    1 ? 1 
ATOM   218  C CB   . LYS   A 1 17  ? -21.431 6.721   37.828  1 31.838 ? 29  LYS   B CB   1 ? 1 
ATOM   219  C CG   . LYS   A 1 17  ? -21.694 8.091   38.474  1 33.431 ? 29  LYS   B CG   1 ? 1 
ATOM   220  C CD   . LYS   A 1 17  ? -20.489 8.899   38.962  1 38.26  ? 29  LYS   B CD   1 ? 1 
ATOM   221  C CE   . LYS   A 1 17  ? -20.644 10.311  39.583  1 50.626 ? 29  LYS   B CE   1 ? 1 
ATOM   222  N NZ   . LYS   A 1 17  ? -20.397 11.424  38.616  1 49.915 ? 29  LYS   B NZ   1 ? 1 
ATOM   223  H H    . LYS   A 1 17  ? -21.361 8.508   35.206  1 27.661 ? 29  LYS   B H    1 c 1 
ATOM   224  H HA   . LYS   A 1 17  ? -19.988 7.516   36.612  1 27.201 ? 29  LYS   B HA   1 c 1 
ATOM   225  H HB2  . LYS   A 1 17  ? -22.277 6.234   37.732  1 32.367 ? 29  LYS   B HB2  1 c 1 
ATOM   226  H HB3  . LYS   A 1 17  ? -20.827 6.201   38.4    1 31.447 ? 29  LYS   B HB3  1 c 1 
ATOM   227  H HG2  . LYS   A 1 17  ? -22.188 8.639   37.826  1 34.127 ? 29  LYS   B HG2  1 c 1 
ATOM   228  H HG3  . LYS   A 1 17  ? -22.295 7.949   39.237  1 35.864 ? 29  LYS   B HG3  1 c 1 
ATOM   229  H HD2  . LYS   A 1 17  ? -20.021 8.337   39.618  1 39.319 ? 29  LYS   B HD2  1 c 1 
ATOM   230  H HD3  . LYS   A 1 17  ? -19.873 8.979   38.203  1 37.493 ? 29  LYS   B HD3  1 c 1 
ATOM   231  H HE2  . LYS   A 1 17  ? -21.546 10.402  39.938  1 49.081 ? 29  LYS   B HE2  1 c 1 
ATOM   232  H HE3  . LYS   A 1 17  ? -20.022 10.4    40.326  1 47.95  ? 29  LYS   B HE3  1 c 1 
ATOM   233  H HZ1  . LYS   A 1 17  ? -20.975 11.36   37.921  1 49.684 ? 29  LYS   B HZ1  1 c 1 
ATOM   234  H HZ2  . LYS   A 1 17  ? -19.548 11.375  38.304  1 48.675 ? 29  LYS   B HZ2  1 c 1 
ATOM   235  H HZ3  . LYS   A 1 17  ? -20.517 12.221  39.03   1 50.404 ? 29  LYS   B HZ3  1 c 1 
ATOM   236  N N    . ASP   A 1 18  ? -19.813 5.729   34.684  1 27.105 ? 30  ASP   B N    1 ? 1 
ATOM   237  C CA   . ASP   A 1 18  ? -19.265 4.568   33.983  1 26.995 ? 30  ASP   B CA   1 ? 1 
ATOM   238  C C    . ASP   A 1 18  ? -17.73  4.601   33.932  1 26.032 ? 30  ASP   B C    1 ? 1 
ATOM   239  O O    . ASP   A 1 18  ? -17.121 3.798   33.169  1 25.484 ? 30  ASP   B O    1 ? 1 
ATOM   240  C CB   . ASP   A 1 18  ? -19.858 4.493   32.578  1 27.892 ? 30  ASP   B CB   1 ? 1 
ATOM   241  C CG   . ASP   A 1 18  ? -19.581 5.666   31.671  1 29.082 ? 30  ASP   B CG   1 ? 1 
ATOM   242  O OD1  . ASP   A 1 18  ? -18.67  6.458   32.027  1 25.412 ? 30  ASP   B OD1  1 ? 1 
ATOM   243  O OD2  . ASP   A 1 18  ? -20.389 5.844   30.683  1 27.731 ? 30  ASP   B OD2  1 ? 1 
ATOM   244  H H    . ASP   A 1 18  ? -19.781 6.546   34.275  1 26.278 ? 30  ASP   B H    1 c 1 
ATOM   245  H HA   . ASP   A 1 18  ? -19.542 3.754   34.461  1 28.221 ? 30  ASP   B HA   1 c 1 
ATOM   246  H HB2  . ASP   A 1 18  ? -19.521 3.685   32.138  1 28.313 ? 30  ASP   B HB2  1 c 1 
ATOM   247  H HB3  . ASP   A 1 18  ? -20.83  4.402   32.661  1 29.131 ? 30  ASP   B HB3  1 c 1 
ATOM   248  N N    . ARG   A 1 19  ? -17.087 5.463   34.724  1 24.445 ? 31  ARG   B N    1 ? 1 
ATOM   249  C CA   . ARG   A 1 19  ? -15.622 5.583   34.75   1 26.454 ? 31  ARG   B CA   1 ? 1 
ATOM   250  C C    . ARG   A 1 19  ? -15.033 5.918   33.376  1 24.137 ? 31  ARG   B C    1 ? 1 
ATOM   251  O O    . ARG   A 1 19  ? -13.806 5.805   33.202  1 25.344 ? 31  ARG   B O    1 ? 1 
ATOM   252  C CB   . ARG   A 1 19  ? -14.895 4.363   35.372  1 25.427 ? 31  ARG   B CB   1 ? 1 
ATOM   253  C CG   . ARG   A 1 19  ? -15.226 4.217   36.822  1 26.319 ? 31  ARG   B CG   1 ? 1 
ATOM   254  C CD   . ARG   A 1 19  ? -14.654 3.001   37.613  1 30.184 ? 31  ARG   B CD   1 ? 1 
ATOM   255  N NE   . ARG   A 1 19  ? -13.236 2.997   37.324  1 31.151 ? 31  ARG   B NE   1 ? 1 
ATOM   256  C CZ   . ARG   A 1 19  ? -12.225 3.581   38.01   1 30.265 ? 31  ARG   B CZ   1 ? 1 
ATOM   257  N NH1  . ARG   A 1 19  ? -12.412 4.375   39.001  1 27.97  ? 31  ARG   B NH1  1 ? 1 
ATOM   258  N NH2  . ARG   A 1 19  ? -10.938 3.342   37.658  1 32.076 ? 31  ARG   B NH2  1 ? 1 
ATOM   259  H H    . ARG   A 1 19  ? -17.575 6.001   35.277  1 25.58  ? 31  ARG   B H    1 c 1 
ATOM   260  H HA   . ARG   A 1 19  ? -15.41  6.348   35.344  1 25.171 ? 31  ARG   B HA   1 c 1 
ATOM   261  H HB2  . ARG   A 1 19  ? -15.158 3.547   34.896  1 26.157 ? 31  ARG   B HB2  1 c 1 
ATOM   262  H HB3  . ARG   A 1 19  ? -13.925 4.476   35.274  1 25.496 ? 31  ARG   B HB3  1 c 1 
ATOM   263  H HG2  . ARG   A 1 19  ? -14.937 5.036   37.28   1 26.641 ? 31  ARG   B HG2  1 c 1 
ATOM   264  H HG3  . ARG   A 1 19  ? -16.204 4.196   36.906  1 27.315 ? 31  ARG   B HG3  1 c 1 
ATOM   265  H HD2  . ARG   A 1 19  ? -14.799 3.1     38.575  1 30.821 ? 31  ARG   B HD2  1 c 1 
ATOM   266  H HD3  . ARG   A 1 19  ? -15.058 2.162   37.31   1 30.555 ? 31  ARG   B HD3  1 c 1 
ATOM   267  H HE   . ARG   A 1 19  ? -12.993 2.561   36.61   1 30.41  ? 31  ARG   B HE   1 c 1 
ATOM   268  H HH11 . ARG   A 1 19  ? -13.054 4.981   38.962  1 28.289 ? 31  ARG   B HH11 1 c 1 
ATOM   269  H HH12 . ARG   A 1 19  ? -11.899 4.311   39.718  1 29.568 ? 31  ARG   B HH12 1 c 1 
ATOM   270  H HH21 . ARG   A 1 19  ? -10.733 2.603   37.219  1 31.874 ? 31  ARG   B HH21 1 c 1 
ATOM   271  H HH22 . ARG   A 1 19  ? -10.308 3.926   37.869  1 31.389 ? 31  ARG   B HH22 1 c 1 
ATOM   272  N N    . GLY   A 1 20  ? -15.847 6.541   32.495  1 22.833 ? 32  GLY   B N    1 ? 1 
ATOM   273  C CA   . GLY   A 1 20  ? -15.425 6.907   31.176  1 22.478 ? 32  GLY   B CA   1 ? 1 
ATOM   274  C C    . GLY   A 1 20  ? -14.448 8.069   31.127  1 22.897 ? 32  GLY   B C    1 ? 1 
ATOM   275  O O    . GLY   A 1 20  ? -13.696 8.219   30.147  1 20.079 ? 32  GLY   B O    1 ? 1 
ATOM   276  H H    . GLY   A 1 20  ? -16.696 6.759   32.753  1 23.438 ? 32  GLY   B H    1 c 1 
ATOM   277  H HA2  . GLY   A 1 20  ? -15.008 6.124   30.751  1 22.868 ? 32  GLY   B HA2  1 c 1 
ATOM   278  H HA3  . GLY   A 1 20  ? -16.221 7.138   30.649  1 22.721 ? 32  GLY   B HA3  1 c 1 
ATOM   279  N N    . VAL   A 1 21  ? -14.535 8.938   32.128  1 22.699 ? 33  VAL   B N    1 ? 1 
ATOM   280  C CA   . VAL   A 1 21  ? -13.66  10.09   32.26   1 21.734 ? 33  VAL   B CA   1 ? 1 
ATOM   281  C C    . VAL   A 1 21  ? -13.305 10.194  33.737  1 23.532 ? 33  VAL   B C    1 ? 1 
ATOM   282  O O    . VAL   A 1 21  ? -14.169 10.447  34.587  1 21.561 ? 33  VAL   B O    1 ? 1 
ATOM   283  C CB   . VAL   A 1 21  ? -14.305 11.396  31.797  1 23.249 ? 33  VAL   B CB   1 ? 1 
ATOM   284  C CG1  . VAL   A 1 21  ? -13.316 12.534  31.887  1 24.062 ? 33  VAL   B CG1  1 ? 1 
ATOM   285  C CG2  . VAL   A 1 21  ? -14.878 11.303  30.364  1 25.514 ? 33  VAL   B CG2  1 ? 1 
ATOM   286  H H    . VAL   A 1 21  ? -15.179 8.811   32.764  1 22.942 ? 33  VAL   B H    1 c 1 
ATOM   287  H HA   . VAL   A 1 21  ? -12.846 9.934   31.744  1 22.247 ? 33  VAL   B HA   1 c 1 
ATOM   288  H HB   . VAL   A 1 21  ? -15.052 11.59   32.411  1 23.809 ? 33  VAL   B HB   1 c 1 
ATOM   289  H HG11 . VAL   A 1 21  ? -12.47  12.261  31.495  1 23.706 ? 33  VAL   B HG11 1 c 1 
ATOM   290  H HG12 . VAL   A 1 21  ? -13.178 12.773  32.819  1 24.133 ? 33  VAL   B HG12 1 c 1 
ATOM   291  H HG13 . VAL   A 1 21  ? -13.662 13.304  31.406  1 23.98  ? 33  VAL   B HG13 1 c 1 
ATOM   292  H HG21 . VAL   A 1 21  ? -15.212 12.173  30.09   1 24.967 ? 33  VAL   B HG21 1 c 1 
ATOM   293  H HG22 . VAL   A 1 21  ? -15.605 10.658  30.346  1 24.934 ? 33  VAL   B HG22 1 c 1 
ATOM   294  H HG23 . VAL   A 1 21  ? -14.179 11.017  29.753  1 24.63  ? 33  VAL   B HG23 1 c 1 
ATOM   295  N N    . LEU   A 1 22  ? -12.015 9.971   34.045  1 22.011 ? 34  LEU   B N    1 ? 1 
ATOM   296  C CA   . LEU   A 1 22  ? -11.485 10.031  35.398  1 22.694 ? 34  LEU   B CA   1 ? 1 
ATOM   297  C C    . LEU   A 1 22  ? -10.525 11.205  35.473  1 22.674 ? 34  LEU   B C    1 ? 1 
ATOM   298  O O    . LEU   A 1 22  ? -9.782  11.459  34.521  1 24.221 ? 34  LEU   B O    1 ? 1 
ATOM   299  C CB   . LEU   A 1 22  ? -10.722 8.739   35.634  1 23.672 ? 34  LEU   B CB   1 ? 1 
ATOM   300  C CG   . LEU   A 1 22  ? -11.529 7.469   35.633  1 24.999 ? 34  LEU   B CG   1 ? 1 
ATOM   301  C CD1  . LEU   A 1 22  ? -10.657 6.229   35.643  1 25.446 ? 34  LEU   B CD1  1 ? 1 
ATOM   302  C CD2  . LEU   A 1 22  ? -12.543 7.399   36.748  1 25.018 ? 34  LEU   B CD2  1 ? 1 
ATOM   303  H H    . LEU   A 1 22  ? -11.435 9.769   33.367  1 22.235 ? 34  LEU   B H    1 c 1 
ATOM   304  H HA   . LEU   A 1 22  ? -12.22  10.128  36.049  1 23.058 ? 34  LEU   B HA   1 c 1 
ATOM   305  H HB2  . LEU   A 1 22  ? -10.028 8.664   34.94   1 23.661 ? 34  LEU   B HB2  1 c 1 
ATOM   306  H HB3  . LEU   A 1 22  ? -10.261 8.811   36.501  1 24.477 ? 34  LEU   B HB3  1 c 1 
ATOM   307  H HG   . LEU   A 1 22  ? -12.04  7.447   34.784  1 24.058 ? 34  LEU   B HG   1 c 1 
ATOM   308  H HD11 . LEU   A 1 22  ? -10.054 6.249   34.881  1 25.294 ? 34  LEU   B HD11 1 c 1 
ATOM   309  H HD12 . LEU   A 1 22  ? -11.217 5.436   35.59   1 25.803 ? 34  LEU   B HD12 1 c 1 
ATOM   310  H HD13 . LEU   A 1 22  ? -10.138 6.203   36.465  1 26.24  ? 34  LEU   B HD13 1 c 1 
ATOM   311  H HD21 . LEU   A 1 22  ? -13.227 8.074   36.608  1 24.848 ? 34  LEU   B HD21 1 c 1 
ATOM   312  H HD22 . LEU   A 1 22  ? -12.101 7.559   37.599  1 25.823 ? 34  LEU   B HD22 1 c 1 
ATOM   313  H HD23 . LEU   A 1 22  ? -12.956 6.52    36.758  1 25.582 ? 34  LEU   B HD23 1 c 1 
ATOM   314  N N    . LYS   A 1 23  ? -10.543 11.944  36.612  1 21.918 ? 35  LYS   B N    1 ? 1 
ATOM   315  C CA   . LYS   A 1 23  ? -9.837  13.193  36.766  1 23.287 ? 35  LYS   B CA   1 ? 1 
ATOM   316  C C    . LYS   A 1 23  ? -9.098  13.265  38.104  1 27.011 ? 35  LYS   B C    1 ? 1 
ATOM   317  O O    . LYS   A 1 23  ? -9.574  12.792  39.129  1 26.033 ? 35  LYS   B O    1 ? 1 
ATOM   318  C CB   . LYS   A 1 23  ? -10.826 14.381  36.763  1 23.608 ? 35  LYS   B CB   1 ? 1 
ATOM   319  C CG   . LYS   A 1 23  ? -10.207 15.791  36.856  1 24.644 ? 35  LYS   B CG   1 ? 1 
ATOM   320  C CD   . LYS   A 1 23  ? -11.259 16.905  36.97   1 26.454 ? 35  LYS   B CD   1 ? 1 
ATOM   321  C CE   . LYS   A 1 23  ? -10.562 18.233  37.193  1 28.356 ? 35  LYS   B CE   1 ? 1 
ATOM   322  N NZ   . LYS   A 1 23  ? -11.472 19.308  37.526  1 28.259 ? 35  LYS   B NZ   1 ? 1 
ATOM   323  H H    . LYS   A 1 23  ? -11.028 11.633  37.322  1 22.865 ? 35  LYS   B H    1 c 1 
ATOM   324  H HA   . LYS   A 1 23  ? -9.193  13.291  36.025  1 23.404 ? 35  LYS   B HA   1 c 1 
ATOM   325  H HB2  . LYS   A 1 23  ? -11.357 14.336  35.94   1 22.952 ? 35  LYS   B HB2  1 c 1 
ATOM   326  H HB3  . LYS   A 1 23  ? -11.444 14.27   37.517  1 24.017 ? 35  LYS   B HB3  1 c 1 
ATOM   327  H HG2  . LYS   A 1 23  ? -9.618  15.828  37.64   1 25.683 ? 35  LYS   B HG2  1 c 1 
ATOM   328  H HG3  . LYS   A 1 23  ? -9.659  15.947  36.057  1 24.645 ? 35  LYS   B HG3  1 c 1 
ATOM   329  H HD2  . LYS   A 1 23  ? -11.789 16.947  36.144  1 25.722 ? 35  LYS   B HD2  1 c 1 
ATOM   330  H HD3  . LYS   A 1 23  ? -11.859 16.719  37.725  1 26.69  ? 35  LYS   B HD3  1 c 1 
ATOM   331  H HE2  . LYS   A 1 23  ? -9.915  18.136  37.914  1 28.547 ? 35  LYS   B HE2  1 c 1 
ATOM   332  H HE3  . LYS   A 1 23  ? -10.075 18.475  36.385  1 27.704 ? 35  LYS   B HE3  1 c 1 
ATOM   333  H HZ1  . LYS   A 1 23  ? -11.921 19.104  38.287  1 28.994 ? 35  LYS   B HZ1  1 c 1 
ATOM   334  H HZ2  . LYS   A 1 23  ? -12.067 19.425  36.853  1 28.182 ? 35  LYS   B HZ2  1 c 1 
ATOM   335  H HZ3  . LYS   A 1 23  ? -11.008 20.075  37.65   1 29.489 ? 35  LYS   B HZ3  1 c 1 
ATOM   336  N N    . ILE   A 1 24  ? -7.876  13.807  38.015  1 26.708 ? 36  ILE   B N    1 ? 1 
ATOM   337  C CA   . ILE   A 1 24  ? -7.147  14.29   39.209  1 26.603 ? 36  ILE   B CA   1 ? 1 
ATOM   338  C C    . ILE   A 1 24  ? -6.71   15.703  39.001  1 26.702 ? 36  ILE   B C    1 ? 1 
ATOM   339  O O    . ILE   A 1 24  ? -6.158  16.094  37.964  1 30.897 ? 36  ILE   B O    1 ? 1 
ATOM   340  C CB   . ILE   A 1 24  ? -5.941  13.427  39.519  1 28.189 ? 36  ILE   B CB   1 ? 1 
ATOM   341  C CG1  . ILE   A 1 24  ? -6.227  11.943  39.761  1 28.878 ? 36  ILE   B CG1  1 ? 1 
ATOM   342  C CG2  . ILE   A 1 24  ? -5.175  14.02   40.734  1 34.813 ? 36  ILE   B CG2  1 ? 1 
ATOM   343  C CD1  . ILE   A 1 24  ? -4.959  11.097  39.937  1 30.539 ? 36  ILE   B CD1  1 ? 1 
ATOM   344  H H    . ILE   A 1 24  ? -7.474  13.88   37.197  1 26.163 ? 36  ILE   B H    1 c 1 
ATOM   345  H HA   . ILE   A 1 24  ? -7.752  14.259  39.975  1 27.4   ? 36  ILE   B HA   1 c 1 
ATOM   346  H HB   . ILE   A 1 24  ? -5.344  13.481  38.746  1 28.803 ? 36  ILE   B HB   1 c 1 
ATOM   347  H HG12 . ILE   A 1 24  ? -6.78   11.855  40.564  1 29.173 ? 36  ILE   B HG12 1 c 1 
ATOM   348  H HG13 . ILE   A 1 24  ? -6.739  11.592  39.004  1 27.658 ? 36  ILE   B HG13 1 c 1 
ATOM   349  H HG21 . ILE   A 1 24  ? -4.454  13.424  40.992  1 34.124 ? 36  ILE   B HG21 1 c 1 
ATOM   350  H HG22 . ILE   A 1 24  ? -5.786  14.128  41.482  1 33.696 ? 36  ILE   B HG22 1 c 1 
ATOM   351  H HG23 . ILE   A 1 24  ? -4.802  14.886  40.496  1 33.709 ? 36  ILE   B HG23 1 c 1 
ATOM   352  H HD11 . ILE   A 1 24  ? -4.299  11.353  39.265  1 30.418 ? 36  ILE   B HD11 1 c 1 
ATOM   353  H HD12 . ILE   A 1 24  ? -5.181  10.153  39.83   1 30.179 ? 36  ILE   B HD12 1 c 1 
ATOM   354  H HD13 . ILE   A 1 24  ? -4.586  11.239  40.827  1 31.706 ? 36  ILE   B HD13 1 c 1 
ATOM   355  N N    . VAL   A 1 25  ? -6.982  16.526  40.016  1 30.495 ? 37  VAL   B N    1 ? 1 
ATOM   356  C CA   . VAL   A 1 25  ? -6.52   17.915  39.96   1 31.786 ? 37  VAL   B CA   1 ? 1 
ATOM   357  C C    . VAL   A 1 25  ? -5.075  17.876  40.405  1 33.01  ? 37  VAL   B C    1 ? 1 
ATOM   358  O O    . VAL   A 1 25  ? -4.783  17.43   41.491  1 34.416 ? 37  VAL   B O    1 ? 1 
ATOM   359  C CB   . VAL   A 1 25  ? -7.337  18.856  40.858  1 32.433 ? 37  VAL   B CB   1 ? 1 
ATOM   360  C CG1  . VAL   A 1 25  ? -6.706  20.215  41.022  1 34.586 ? 37  VAL   B CG1  1 ? 1 
ATOM   361  C CG2  . VAL   A 1 25  ? -8.801  18.909  40.463  1 31.568 ? 37  VAL   B CG2  1 ? 1 
ATOM   362  H H    . VAL   A 1 25  ? -7.452  16.235  40.744  1 30.149 ? 37  VAL   B H    1 c 1 
ATOM   363  H HA   . VAL   A 1 25  ? -6.566  18.233  39.038  1 30.974 ? 37  VAL   B HA   1 c 1 
ATOM   364  H HB   . VAL   A 1 25  ? -7.322  18.451  41.757  1 33.324 ? 37  VAL   B HB   1 c 1 
ATOM   365  H HG11 . VAL   A 1 25  ? -6.316  20.496  40.177  1 34.148 ? 37  VAL   B HG11 1 c 1 
ATOM   366  H HG12 . VAL   A 1 25  ? -6.012  20.172  41.701  1 35.672 ? 37  VAL   B HG12 1 c 1 
ATOM   367  H HG13 . VAL   A 1 25  ? -7.384  20.856  41.294  1 35.011 ? 37  VAL   B HG13 1 c 1 
ATOM   368  H HG21 . VAL   A 1 25  ? -9.298  19.419  41.126  1 32.479 ? 37  VAL   B HG21 1 c 1 
ATOM   369  H HG22 . VAL   A 1 25  ? -9.159  18.007  40.415  1 30.597 ? 37  VAL   B HG22 1 c 1 
ATOM   370  H HG23 . VAL   A 1 25  ? -8.888  19.339  39.596  1 30.982 ? 37  VAL   B HG23 1 c 1 
ATOM   371  N N    . LYS   A 1 26  ? -4.137  18.386  39.601  1 35.072 ? 38  LYS   B N    1 ? 1 
ATOM   372  C CA   . LYS   A 1 26  ? -2.734  18.321  39.979  1 37.765 ? 38  LYS   B CA   1 ? 1 
ATOM   373  C C    . LYS   A 1 26  ? -2.28   19.638  40.579  1 37.368 ? 38  LYS   B C    1 ? 1 
ATOM   374  O O    . LYS   A 1 26  ? -1.29   19.683  41.345  1 35.574 ? 38  LYS   B O    1 ? 1 
ATOM   375  C CB   . LYS   A 1 26  ? -1.933  17.903  38.755  1 37.847 ? 38  LYS   B CB   1 ? 1 
ATOM   376  C CG   . LYS   A 1 26  ? -2.211  16.49   38.296  1 40.646 ? 38  LYS   B CG   1 ? 1 
ATOM   377  C CD   . LYS   A 1 26  ? -2.042  15.404  39.354  1 48.354 ? 38  LYS   B CD   1 ? 1 
ATOM   378  C CE   . LYS   A 1 26  ? -0.68   14.805  39.391  1 51.337 ? 38  LYS   B CE   1 ? 1 
ATOM   379  N NZ   . LYS   A 1 26  ? -0.634  13.815  40.471  1 56.273 ? 38  LYS   B NZ   1 ? 1 
ATOM   380  H H    . LYS   A 1 26  ? -4.371  18.768  38.805  1 34.231 ? 38  LYS   B H    1 c 1 
ATOM   381  H HA   . LYS   A 1 26  ? -2.63   17.625  40.672  1 37.588 ? 38  LYS   B HA   1 c 1 
ATOM   382  H HB2  . LYS   A 1 26  ? -2.136  18.518  38.017  1 38.288 ? 38  LYS   B HB2  1 c 1 
ATOM   383  H HB3  . LYS   A 1 26  ? -0.976  17.984  38.957  1 40.173 ? 38  LYS   B HB3  1 c 1 
ATOM   384  H HG2  . LYS   A 1 26  ? -3.132  16.455  37.956  1 39.563 ? 38  LYS   B HG2  1 c 1 
ATOM   385  H HG3  . LYS   A 1 26  ? -1.614  16.29   37.543  1 41.084 ? 38  LYS   B HG3  1 c 1 
ATOM   386  H HD2  . LYS   A 1 26  ? -2.249  15.773  40.237  1 47.448 ? 38  LYS   B HD2  1 c 1 
ATOM   387  H HD3  . LYS   A 1 26  ? -2.695  14.692  39.175  1 45.628 ? 38  LYS   B HD3  1 c 1 
ATOM   388  H HE2  . LYS   A 1 26  ? -0.481  14.368  38.545  1 51.278 ? 38  LYS   B HE2  1 c 1 
ATOM   389  H HE3  . LYS   A 1 26  ? -0.013  15.495  39.553  1 53.333 ? 38  LYS   B HE3  1 c 1 
ATOM   390  H HZ1  . LYS   A 1 26  ? -1.266  13.181  40.336  1 53.703 ? 38  LYS   B HZ1  1 c 1 
ATOM   391  H HZ2  . LYS   A 1 26  ? -0.785  14.221  41.267  1 55.576 ? 38  LYS   B HZ2  1 c 1 
ATOM   392  H HZ3  . LYS   A 1 26  ? 0.182   13.422  40.489  1 56.064 ? 38  LYS   B HZ3  1 c 1 
ATOM   393  N N    . ARG   A 1 27  ? -2.831  20.743  40.068  1 36.037 ? 39  ARG   B N    1 ? 1 
ATOM   394  C CA   . ARG   A 1 27  ? -2.51   22.08   40.575  1 37.403 ? 39  ARG   B CA   1 ? 1 
ATOM   395  C C    . ARG   A 1 27  ? -3.828  22.859  40.638  1 39.516 ? 39  ARG   B C    1 ? 1 
ATOM   396  O O    . ARG   A 1 27  ? -4.559  22.954  39.626  1 40.37  ? 39  ARG   B O    1 ? 1 
ATOM   397  C CB   . ARG   A 1 27  ? -1.554  22.903  39.698  1 41.53  ? 39  ARG   B CB   1 ? 1 
ATOM   398  C CG   . ARG   A 1 27  ? -1.159  24.226  40.38   1 45.384 ? 39  ARG   B CG   1 ? 1 
ATOM   399  C CD   . ARG   A 1 27  ? -0.287  25.153  39.462  1 48.387 ? 39  ARG   B CD   1 ? 1 
ATOM   400  N NE   . ARG   A 1 27  ? -1.059  25.655  38.302  1 49.668 ? 39  ARG   B NE   1 ? 1 
ATOM   401  C CZ   . ARG   A 1 27  ? -0.497  26.087  37.138  1 49.296 ? 39  ARG   B CZ   1 ? 1 
ATOM   402  N NH1  . ARG   A 1 27  ? -1.229  26.565  36.104  1 46.8   ? 39  ARG   B NH1  1 ? 1 
ATOM   403  N NH2  . ARG   A 1 27  ? 0.825   26.035  36.975  1 48.576 ? 39  ARG   B NH2  1 ? 1 
ATOM   404  H H    . ARG   A 1 27  ? -3.417  20.67   39.37   1 34.823 ? 39  ARG   B H    1 c 1 
ATOM   405  H HA   . ARG   A 1 27  ? -2.137  21.996  41.489  1 39.821 ? 39  ARG   B HA   1 c 1 
ATOM   406  H HB2  . ARG   A 1 27  ? -0.745  22.378  39.519  1 41.362 ? 39  ARG   B HB2  1 c 1 
ATOM   407  H HB3  . ARG   A 1 27  ? -1.986  23.099  38.839  1 40.058 ? 39  ARG   B HB3  1 c 1 
ATOM   408  H HG2  . ARG   A 1 27  ? -1.97   24.713  40.64   1 45.338 ? 39  ARG   B HG2  1 c 1 
ATOM   409  H HG3  . ARG   A 1 27  ? -0.655  24.026  41.199  1 46.656 ? 39  ARG   B HG3  1 c 1 
ATOM   410  H HD2  . ARG   A 1 27  ? 0.04    25.913  39.986  1 50.743 ? 39  ARG   B HD2  1 c 1 
ATOM   411  H HD3  . ARG   A 1 27  ? 0.489   24.649  39.142  1 48.803 ? 39  ARG   B HD3  1 c 1 
ATOM   412  H HE   . ARG   A 1 27  ? -1.927  25.677  38.365  1 47.76  ? 39  ARG   B HE   1 c 1 
ATOM   413  H HH11 . ARG   A 1 27  ? -2.039  26.244  35.954  1 45.66  ? 39  ARG   B HH11 1 c 1 
ATOM   414  H HH12 . ARG   A 1 27  ? -0.894  27.196  35.583  1 48.578 ? 39  ARG   B HH12 1 c 1 
ATOM   415  H HH21 . ARG   A 1 27  ? 1.357   26.392  37.584  1 51.131 ? 39  ARG   B HH21 1 c 1 
ATOM   416  H HH22 . ARG   A 1 27  ? 1.165   25.651  36.256  1 48.913 ? 39  ARG   B HH22 1 c 1 
ATOM   417  N N    . VAL   A 1 28  ? -4.117  23.405  41.824  1 41.816 ? 40  VAL   B N    1 ? 1 
ATOM   418  C CA   . VAL   A 1 28  ? -5.384  24.097  42.038  1 41.913 ? 40  VAL   B CA   1 ? 1 
ATOM   419  C C    . VAL   A 1 28  ? -5.366  25.439  41.32   1 46.125 ? 40  VAL   B C    1 ? 1 
ATOM   420  O O    . VAL   A 1 28  ? -4.341  26.135  41.301  1 45.293 ? 40  VAL   B O    1 ? 1 
ATOM   421  C CB   . VAL   A 1 28  ? -5.712  24.107  43.545  1 47.927 ? 40  VAL   B CB   1 ? 1 
ATOM   422  C CG1  . VAL   A 1 28  ? -6.766  25.104  43.997  1 53.878 ? 40  VAL   B CG1  1 ? 1 
ATOM   423  C CG2  . VAL   A 1 28  ? -6.119  22.693  43.982  1 48.026 ? 40  VAL   B CG2  1 ? 1 
ATOM   424  H H    . VAL   A 1 28  ? -3.516  23.352  42.51   1 43.015 ? 40  VAL   B H    1 c 1 
ATOM   425  H HA   . VAL   A 1 28  ? -6.074  23.555  41.607  1 41.512 ? 40  VAL   B HA   1 c 1 
ATOM   426  H HB   . VAL   A 1 28  ? -4.878  24.332  44.019  1 49.686 ? 40  VAL   B HB   1 c 1 
ATOM   427  H HG11 . VAL   A 1 28  ? -7.551  25.028  43.429  1 51.113 ? 40  VAL   B HG11 1 c 1 
ATOM   428  H HG12 . VAL   A 1 28  ? -6.408  26.006  43.935  1 53.933 ? 40  VAL   B HG12 1 c 1 
ATOM   429  H HG13 . VAL   A 1 28  ? -7.014  24.919  44.919  1 53.297 ? 40  VAL   B HG13 1 c 1 
ATOM   430  H HG21 . VAL   A 1 28  ? -6.279  22.683  44.94   1 48.776 ? 40  VAL   B HG21 1 c 1 
ATOM   431  H HG22 . VAL   A 1 28  ? -5.406  22.069  43.767  1 46.978 ? 40  VAL   B HG22 1 c 1 
ATOM   432  H HG23 . VAL   A 1 28  ? -6.93   22.43   43.516  1 46.025 ? 40  VAL   B HG23 1 c 1 
ATOM   433  N N    . GLY   A 1 29  ? -6.542  25.743  40.729  1 43.834 ? 41  GLY   B N    1 ? 1 
ATOM   434  C CA   . GLY   A 1 29  ? -6.851  27.01   40.057  1 44.684 ? 41  GLY   B CA   1 ? 1 
ATOM   435  C C    . GLY   A 1 29  ? -7.456  28.064  40.993  1 52.511 ? 41  GLY   B C    1 ? 1 
ATOM   436  O O    . GLY   A 1 29  ? -7.514  27.861  42.201  1 50.11  ? 41  GLY   B O    1 ? 1 
ATOM   437  H H    . GLY   A 1 29  ? -7.201  25.109  40.749  1 42.67  ? 41  GLY   B H    1 c 1 
ATOM   438  H HA2  . GLY   A 1 29  ? -6.022  27.368  39.66   1 46.66  ? 41  GLY   B HA2  1 c 1 
ATOM   439  H HA3  . GLY   A 1 29  ? -7.482  26.832  39.321  1 44.527 ? 41  GLY   B HA3  1 c 1 
ATOM   440  N N    . ASN   A 1 30  ? -7.927  29.185  40.394  1 55.319 ? 42  ASN   B N    1 ? 1 
ATOM   441  C CA   . ASN   A 1 30  ? -8.407  30.374  41.097  1 52.485 ? 42  ASN   B CA   1 ? 1 
ATOM   442  C C    . ASN   A 1 30  ? -9.864  30.636  40.659  1 53.382 ? 42  ASN   B C    1 ? 1 
ATOM   443  O O    . ASN   A 1 30  ? -10.212 30.341  39.525  1 50.449 ? 42  ASN   B O    1 ? 1 
ATOM   444  C CB   . ASN   A 1 30  ? -7.481  31.572  40.853  1 51.597 ? 42  ASN   B CB   1 ? 1 
ATOM   445  H H    . ASN   A 1 30  ? -7.947  29.198  39.48   1 52.606 ? 42  ASN   B H    1 c 1 
ATOM   446  H HA   . ASN   A 1 30  ? -8.402  30.188  42.063  1 53.71  ? 42  ASN   B HA   1 c 1 
ATOM   447  H HB2  . ASN   A 1 30  ? -6.537  31.308  40.88   0 20     ? 42  ASN   B HB2  1 c 1 
ATOM   448  H HB3  . ASN   A 1 30  ? -8.021  32.381  40.639  0 20     ? 42  ASN   B HB3  1 c 1 
ATOM   449  N N    . GLY   A 1 31  ? -10.692 31.275  41.504  1 59.112 ? 43  GLY   B N    1 ? 1 
ATOM   450  C CA   . GLY   A 1 31  ? -12.011 31.775  41.128  1 59.997 ? 43  GLY   B CA   1 ? 1 
ATOM   451  C C    . GLY   A 1 31  ? -13.123 30.735  41.313  1 60.529 ? 43  GLY   B C    1 ? 1 
ATOM   452  O O    . GLY   A 1 31  ? -12.864 29.549  41.552  1 65.221 ? 43  GLY   B O    1 ? 1 
ATOM   453  H H    . GLY   A 1 31  ? -10.413 31.405  42.364  1 59.527 ? 43  GLY   B H    1 c 1 
ATOM   454  H HA2  . GLY   A 1 31  ? -12.216 32.568  41.676  1 62.934 ? 43  GLY   B HA2  1 c 1 
ATOM   455  H HA3  . GLY   A 1 31  ? -11.988 32.062  40.185  1 60.091 ? 43  GLY   B HA3  1 c 1 
ATOM   456  N N    . GLU   A 1 32  ? -14.38  31.217  41.186  1 63.285 ? 44  GLU   B N    1 ? 1 
ATOM   457  C CA   . GLU   A 1 32  ? -15.592 30.415  41.343  1 66.435 ? 44  GLU   B CA   1 ? 1 
ATOM   458  C C    . GLU   A 1 32  ? -16.132 29.919  39.973  1 57.297 ? 44  GLU   B C    1 ? 1 
ATOM   459  O O    . GLU   A 1 32  ? -16.829 28.918  39.925  1 54.03  ? 44  GLU   B O    1 ? 1 
ATOM   460  C CB   . GLU   A 1 32  ? -16.523 31.263  42.235  1 68.078 ? 44  GLU   B CB   1 ? 1 
ATOM   461  H H    . GLU   A 1 32  ? -14.477 32.104  40.985  1 65.561 ? 44  GLU   B H    1 c 1 
ATOM   462  H HA   . GLU   A 1 32  ? -15.354 29.612  41.872  1 62.754 ? 44  GLU   B HA   1 c 1 
ATOM   463  H HB2  . GLU   A 1 32  ? -15.961 31.891  42.798  0 20     ? 44  GLU   B HB2  1 c 1 
ATOM   464  H HB3  . GLU   A 1 32  ? -17.447 31.1    42.016  0 20     ? 44  GLU   B HB3  1 c 1 
ATOM   465  N N    . GLU   A 1 33  ? -15.844 30.629  38.859  1 53.319 ? 45  GLU   B N    1 ? 1 
ATOM   466  C CA   . GLU   A 1 33  ? -16.354 30.304  37.53   1 53.005 ? 45  GLU   B CA   1 ? 1 
ATOM   467  C C    . GLU   A 1 33  ? -15.649 29.078  36.956  1 54.139 ? 45  GLU   B C    1 ? 1 
ATOM   468  O O    . GLU   A 1 33  ? -14.436 28.901  37.062  1 47.505 ? 45  GLU   B O    1 ? 1 
ATOM   469  C CB   . GLU   A 1 33  ? -16.156 31.448  36.528  1 55.806 ? 45  GLU   B CB   1 ? 1 
ATOM   470  H H    . GLU   A 1 33  ? -15.3   31.358  38.941  1 56.115 ? 45  GLU   B H    1 c 1 
ATOM   471  H HA   . GLU   A 1 33  ? -17.323 30.112  37.607  1 53.973 ? 45  GLU   B HA   1 c 1 
ATOM   472  H HB2  . GLU   A 1 33  ? -15.226 31.534  36.361  0 20     ? 45  GLU   B HB2  1 c 1 
ATOM   473  H HB3  . GLU   A 1 33  ? -17.069 31.698  36.205  0 20     ? 45  GLU   B HB3  1 c 1 
ATOM   474  N N    . THR   A 1 34  ? -16.448 28.266  36.245  1 47.559 ? 46  THR   B N    1 ? 1 
ATOM   475  C CA   . THR   A 1 34  ? -15.911 27.194  35.428  1 43.82  ? 46  THR   B CA   1 ? 1 
ATOM   476  C C    . THR   A 1 34  ? -16.536 27.363  34.044  1 43.547 ? 46  THR   B C    1 ? 1 
ATOM   477  O O    . THR   A 1 34  ? -17.535 28.079  33.898  1 50.633 ? 46  THR   B O    1 ? 1 
ATOM   478  C CB   . THR   A 1 34  ? -16.227 25.815  35.97   1 41.171 ? 46  THR   B CB   1 ? 1 
ATOM   479  O OG1  . THR   A 1 34  ? -17.621 25.789  36.098  1 43.126 ? 46  THR   B OG1  1 ? 1 
ATOM   480  C CG2  . THR   A 1 34  ? -15.652 25.452  37.318  1 42.958 ? 46  THR   B CG2  1 ? 1 
ATOM   481  H H    . THR   A 1 34  ? -17.354 28.384  36.275  1 49.213 ? 46  THR   B H    1 c 1 
ATOM   482  H HA   . THR   A 1 34  ? -14.939 27.299  35.363  1 43.626 ? 46  THR   B HA   1 c 1 
ATOM   483  H HB   . THR   A 1 34  ? -15.947 25.135  35.312  1 40.162 ? 46  THR   B HB   1 c 1 
ATOM   484  H HG1  . THR   A 1 34  ? -17.845 26.423  36.602  0 20     ? 46  THR   B HG1  1 c 1 
ATOM   485  H HG21 . THR   A 1 34  ? -15.891 24.536  37.537  1 41.269 ? 46  THR   B HG21 1 c 1 
ATOM   486  H HG22 . THR   A 1 34  ? -16.009 26.05   37.995  1 44.103 ? 46  THR   B HG22 1 c 1 
ATOM   487  H HG23 . THR   A 1 34  ? -14.684 25.535  37.291  1 42.118 ? 46  THR   B HG23 1 c 1 
ATOM   488  N N    . PRO   A 1 35  ? -15.883 26.914  32.967  1 43.608 ? 47  PRO   B N    1 ? 1 
ATOM   489  C CA   . PRO   A 1 35  ? -16.372 27.138  31.623  1 47.082 ? 47  PRO   B CA   1 ? 1 
ATOM   490  C C    . PRO   A 1 35  ? -17.783 26.561  31.372  1 51.923 ? 47  PRO   B C    1 ? 1 
ATOM   491  O O    . PRO   A 1 35  ? -18.188 25.516  31.931  1 42.348 ? 47  PRO   B O    1 ? 1 
ATOM   492  C CB   . PRO   A 1 35  ? -15.332 26.435  30.768  1 48.271 ? 47  PRO   B CB   1 ? 1 
ATOM   493  C CG   . PRO   A 1 35  ? -14.052 26.33   31.625  1 45.047 ? 47  PRO   B CG   1 ? 1 
ATOM   494  C CD   . PRO   A 1 35  ? -14.659 26.089  33.004  1 41.811 ? 47  PRO   B CD   1 ? 1 
ATOM   495  H HA   . PRO   A 1 35  ? -16.368 28.098  31.429  1 49.67  ? 47  PRO   B HA   1 c 1 
ATOM   496  H HB2  . PRO   A 1 35  ? -15.643 25.546  30.511  1 45.574 ? 47  PRO   B HB2  1 c 1 
ATOM   497  H HB3  . PRO   A 1 35  ? -15.158 26.944  29.953  1 47.777 ? 47  PRO   B HB3  1 c 1 
ATOM   498  H HG2  . PRO   A 1 35  ? -13.49  25.58   31.346  1 43.451 ? 47  PRO   B HG2  1 c 1 
ATOM   499  H HG3  . PRO   A 1 35  ? -13.533 27.158  31.603  1 46.17  ? 47  PRO   B HG3  1 c 1 
ATOM   500  H HD2  . PRO   A 1 35  ? -14.878 25.146  33.139  1 40.97  ? 47  PRO   B HD2  1 c 1 
ATOM   501  H HD3  . PRO   A 1 35  ? -14.057 26.388  33.708  1 42.959 ? 47  PRO   B HD3  1 c 1 
ATOM   502  N N    . MET   A 1 36  ? -18.559 27.263  30.559  1 53.143 ? 48  MET   B N    1 ? 1 
ATOM   503  C CA   . MET   A 1 36  ? -19.851 26.694  30.217  1 51.9   ? 48  MET   B CA   1 ? 1 
ATOM   504  C C    . MET   A 1 36  ? -19.972 26.567  28.734  1 51.863 ? 48  MET   B C    1 ? 1 
ATOM   505  O O    . MET   A 1 36  ? -19.158 27.122  28.006  1 53.057 ? 48  MET   B O    1 ? 1 
ATOM   506  C CB   . MET   A 1 36  ? -20.968 27.453  30.88   1 55.084 ? 48  MET   B CB   1 ? 1 
ATOM   507  C CG   . MET   A 1 36  ? -20.985 27.128  32.352  1 55.795 ? 48  MET   B CG   1 ? 1 
ATOM   508  S SD   . MET   A 1 36  ? -22.283 28.134  33.102  1 55.983 ? 48  MET   B SD   1 ? 1 
ATOM   509  C CE   . MET   A 1 36  ? -21.479 29.707  32.784  1 52.538 ? 48  MET   B CE   1 ? 1 
ATOM   510  H H    . MET   A 1 36  ? -18.304 28.073  30.224  1 54.167 ? 48  MET   B H    1 c 1 
ATOM   511  H HA   . MET   A 1 36  ? -19.866 25.769  30.57   1 50.649 ? 48  MET   B HA   1 c 1 
ATOM   512  H HB2  . MET   A 1 36  ? -20.829 28.414  30.747  1 56.685 ? 48  MET   B HB2  1 c 1 
ATOM   513  H HB3  . MET   A 1 36  ? -21.825 27.201  30.474  1 55.504 ? 48  MET   B HB3  1 c 1 
ATOM   514  H HG2  . MET   A 1 36  ? -21.178 26.18   32.491  1 53.415 ? 48  MET   B HG2  1 c 1 
ATOM   515  H HG3  . MET   A 1 36  ? -20.122 27.34   32.761  1 54.445 ? 48  MET   B HG3  1 c 1 
ATOM   516  H HE1  . MET   A 1 36  ? -21.7   30.334  33.497  1 55.739 ? 48  MET   B HE1  1 c 1 
ATOM   517  H HE2  . MET   A 1 36  ? -20.513 29.581  32.753  1 52.66  ? 48  MET   B HE2  1 c 1 
ATOM   518  H HE3  . MET   A 1 36  ? -21.79  30.065  31.932  1 54.824 ? 48  MET   B HE3  1 c 1 
ATOM   519  N N    . ILE   A 1 37  ? -20.994 25.801  28.326  1 46.191 ? 49  ILE   B N    1 ? 1 
ATOM   520  C CA   . ILE   A 1 37  ? -21.13  25.509  26.929  1 41.216 ? 49  ILE   B CA   1 ? 1 
ATOM   521  C C    . ILE   A 1 37  ? -21.193 26.858  26.22   1 40.614 ? 49  ILE   B C    1 ? 1 
ATOM   522  O O    . ILE   A 1 37  ? -21.95  27.741  26.647  1 46.394 ? 49  ILE   B O    1 ? 1 
ATOM   523  C CB   . ILE   A 1 37  ? -22.413 24.679  26.704  1 44.299 ? 49  ILE   B CB   1 ? 1 
ATOM   524  C CG1  . ILE   A 1 37  ? -22.363 23.336  27.434  1 52.11  ? 49  ILE   B CG1  1 ? 1 
ATOM   525  C CG2  . ILE   A 1 37  ? -22.756 24.574  25.207  1 42.219 ? 49  ILE   B CG2  1 ? 1 
ATOM   526  C CD1  . ILE   A 1 37  ? -22.234 23.463  28.959  1 58.554 ? 49  ILE   B CD1  1 ? 1 
ATOM   527  H H    . ILE   A 1 37  ? -21.64  25.543  28.914  1 46.757 ? 49  ILE   B H    1 c 1 
ATOM   528  H HA   . ILE   A 1 37  ? -20.352 25.004  26.623  1 40.377 ? 49  ILE   B HA   1 c 1 
ATOM   529  H HB   . ILE   A 1 37  ? -23.141 25.185  27.118  1 46.395 ? 49  ILE   B HB   1 c 1 
ATOM   530  H HG12 . ILE   A 1 37  ? -23.178 22.835  27.228  1 51.022 ? 49  ILE   B HG12 1 c 1 
ATOM   531  H HG13 . ILE   A 1 37  ? -21.601 22.822  27.096  1 49.23  ? 49  ILE   B HG13 1 c 1 
ATOM   532  H HG21 . ILE   A 1 37  ? -23.373 23.836  25.066  1 42.775 ? 49  ILE   B HG21 1 c 1 
ATOM   533  H HG22 . ILE   A 1 37  ? -21.944 24.417  24.697  1 42.078 ? 49  ILE   B HG22 1 c 1 
ATOM   534  H HG23 . ILE   A 1 37  ? -23.171 25.4    24.907  1 45.033 ? 49  ILE   B HG23 1 c 1 
ATOM   535  H HD11 . ILE   A 1 37  ? -21.303 23.607  29.212  1 55.34  ? 49  ILE   B HD11 1 c 1 
ATOM   536  H HD12 . ILE   A 1 37  ? -22.551 22.635  29.366  1 55.569 ? 49  ILE   B HD12 1 c 1 
ATOM   537  H HD13 . ILE   A 1 37  ? -22.782 24.204  29.278  1 57.97  ? 49  ILE   B HD13 1 c 1 
ATOM   538  N N    . GLY   A 1 38  ? -20.477 26.941  25.092  1 40.1   ? 50  GLY   B N    1 ? 1 
ATOM   539  C CA   . GLY   A 1 38  ? -20.422 28.105  24.224  1 46.862 ? 50  GLY   B CA   1 ? 1 
ATOM   540  C C    . GLY   A 1 38  ? -19.157 28.94   24.42   1 50.298 ? 50  GLY   B C    1 ? 1 
ATOM   541  O O    . GLY   A 1 38  ? -18.801 29.748  23.54   1 51.448 ? 50  GLY   B O    1 ? 1 
ATOM   542  H H    . GLY   A 1 38  ? -19.987 26.21   24.847  1 39.476 ? 50  GLY   B H    1 c 1 
ATOM   543  H HA2  . GLY   A 1 38  ? -20.469 27.803  23.287  1 46.439 ? 50  GLY   B HA2  1 c 1 
ATOM   544  H HA3  . GLY   A 1 38  ? -21.213 28.67   24.395  1 48.201 ? 50  GLY   B HA3  1 c 1 
ATOM   545  N N    . ASP   A 1 39  ? -18.576 28.829  25.603  1 45.819 ? 51  ASP   B N    1 ? 1 
ATOM   546  C CA   . ASP   A 1 39  ? -17.437 29.662  25.953  1 47.216 ? 51  ASP   B CA   1 ? 1 
ATOM   547  C C    . ASP   A 1 39  ? -16.255 29.316  25.059  1 45.315 ? 51  ASP   B C    1 ? 1 
ATOM   548  O O    . ASP   A 1 39  ? -16.059 28.163  24.693  1 44.316 ? 51  ASP   B O    1 ? 1 
ATOM   549  C CB   . ASP   A 1 39  ? -16.992 29.438  27.39   1 45.926 ? 51  ASP   B CB   1 ? 1 
ATOM   550  C CG   . ASP   A 1 39  ? -17.904 30.073  28.429  1 47.706 ? 51  ASP   B CG   1 ? 1 
ATOM   551  O OD1  . ASP   A 1 39  ? -18.87  30.772  28.038  1 45.297 ? 51  ASP   B OD1  1 ? 1 
ATOM   552  O OD2  . ASP   A 1 39  ? -17.683 29.805  29.612  1 48.693 ? 51  ASP   B OD2  1 ? 1 
ATOM   553  H H    . ASP   A 1 39  ? -18.887 28.226  26.214  1 45.364 ? 51  ASP   B H    1 c 1 
ATOM   554  H HA   . ASP   A 1 39  ? -17.681 30.606  25.82   1 49.169 ? 51  ASP   B HA   1 c 1 
ATOM   555  H HB2  . ASP   A 1 39  ? -16.945 28.475  27.564  1 43.972 ? 51  ASP   B HB2  1 c 1 
ATOM   556  H HB3  . ASP   A 1 39  ? -16.094 29.811  27.509  1 46.262 ? 51  ASP   B HB3  1 c 1 
ATOM   557  N N    . LYS   A 1 40  ? -15.426 30.342  24.8    1 48.551 ? 52  LYS   B N    1 ? 1 
ATOM   558  C CA   . LYS   A 1 40  ? -14.159 30.134  24.138  1 45.791 ? 52  LYS   B CA   1 ? 1 
ATOM   559  C C    . LYS   A 1 40  ? -13.129 29.833  25.209  1 44.768 ? 52  LYS   B C    1 ? 1 
ATOM   560  O O    . LYS   A 1 40  ? -12.987 30.58   26.171  1 46.729 ? 52  LYS   B O    1 ? 1 
ATOM   561  C CB   . LYS   A 1 40  ? -13.811 31.379  23.307  1 52.717 ? 52  LYS   B CB   1 ? 1 
ATOM   562  C CG   . LYS   A 1 40  ? -12.525 31.303  22.463  1 53.149 ? 52  LYS   B CG   1 ? 1 
ATOM   563  C CD   . LYS   A 1 40  ? -12.376 32.605  21.663  1 61.4   ? 52  LYS   B CD   1 ? 1 
ATOM   564  C CE   . LYS   A 1 40  ? -11.122 32.701  20.833  1 65.636 ? 52  LYS   B CE   1 ? 1 
ATOM   565  N NZ   . LYS   A 1 40  ? -10.951 34.014  20.174  1 70.798 ? 52  LYS   B NZ   1 ? 1 
ATOM   566  H H    . LYS   A 1 40  ? -15.662 31.19   25.047  1 49.558 ? 52  LYS   B H    1 c 1 
ATOM   567  H HA   . LYS   A 1 40  ? -14.24  29.353  23.534  1 45.712 ? 52  LYS   B HA   1 c 1 
ATOM   568  H HB2  . LYS   A 1 40  ? -14.562 31.564  22.702  1 52.876 ? 52  LYS   B HB2  1 c 1 
ATOM   569  H HB3  . LYS   A 1 40  ? -13.731 32.143  23.916  1 53.176 ? 52  LYS   B HB3  1 c 1 
ATOM   570  H HG2  . LYS   A 1 40  ? -11.751 31.185  23.055  1 53.369 ? 52  LYS   B HG2  1 c 1 
ATOM   571  H HG3  . LYS   A 1 40  ? -12.581 30.538  21.849  1 52.906 ? 52  LYS   B HG3  1 c 1 
ATOM   572  H HD2  . LYS   A 1 40  ? -13.154 32.698  21.07   1 61.766 ? 52  LYS   B HD2  1 c 1 
ATOM   573  H HD3  . LYS   A 1 40  ? -12.396 33.36   22.291  1 62.261 ? 52  LYS   B HD3  1 c 1 
ATOM   574  H HE2  . LYS   A 1 40  ? -10.348 32.527  21.396  1 64.38  ? 52  LYS   B HE2  1 c 1 
ATOM   575  H HE3  . LYS   A 1 40  ? -11.147 32.011  20.145  1 64.247 ? 52  LYS   B HE3  1 c 1 
ATOM   576  H HZ1  . LYS   A 1 40  ? -10.842 34.659  20.801  1 71.483 ? 52  LYS   B HZ1  1 c 1 
ATOM   577  H HZ2  . LYS   A 1 40  ? -11.684 34.204  19.676  1 71.373 ? 52  LYS   B HZ2  1 c 1 
ATOM   578  H HZ3  . LYS   A 1 40  ? -10.222 33.994  19.637  1 71.214 ? 52  LYS   B HZ3  1 c 1 
ATOM   579  N N    . VAL   A 1 41  ? -12.47  28.663  25.084  1 42.307 ? 53  VAL   B N    1 ? 1 
ATOM   580  C CA   . VAL   A 1 41  ? -11.579 28.185  26.116  1 44.031 ? 53  VAL   B CA   1 ? 1 
ATOM   581  C C    . VAL   A 1 41  ? -10.145 28.088  25.58   1 42.235 ? 53  VAL   B C    1 ? 1 
ATOM   582  O O    . VAL   A 1 41  ? -9.9    27.648  24.458  1 43.536 ? 53  VAL   B O    1 ? 1 
ATOM   583  C CB   . VAL   A 1 41  ? -12.089 26.812  26.569  1 35.967 ? 53  VAL   B CB   1 ? 1 
ATOM   584  C CG1  . VAL   A 1 41  ? -11.163 26.238  27.611  1 37.739 ? 53  VAL   B CG1  1 ? 1 
ATOM   585  C CG2  . VAL   A 1 41  ? -13.49  26.891  27.126  1 43.893 ? 53  VAL   B CG2  1 ? 1 
ATOM   586  H H    . VAL   A 1 41  ? -12.584 28.157  24.331  1 42.462 ? 53  VAL   B H    1 c 1 
ATOM   587  H HA   . VAL   A 1 41  ? -11.6   28.801  26.873  1 42.834 ? 53  VAL   B HA   1 c 1 
ATOM   588  H HB   . VAL   A 1 41  ? -12.091 26.218  25.781  1 38.095 ? 53  VAL   B HB   1 c 1 
ATOM   589  H HG11 . VAL   A 1 41  ? -10.843 26.951  28.188  1 37.968 ? 53  VAL   B HG11 1 c 1 
ATOM   590  H HG12 . VAL   A 1 41  ? -10.407 25.811  27.174  1 36.404 ? 53  VAL   B HG12 1 c 1 
ATOM   591  H HG13 . VAL   A 1 41  ? -11.64  25.58   28.144  1 35.535 ? 53  VAL   B HG13 1 c 1 
ATOM   592  H HG21 . VAL   A 1 41  ? -13.749 26.024  27.482  1 39.57  ? 53  VAL   B HG21 1 c 1 
ATOM   593  H HG22 . VAL   A 1 41  ? -14.108 27.146  26.42   1 41.99  ? 53  VAL   B HG22 1 c 1 
ATOM   594  H HG23 . VAL   A 1 41  ? -13.521 27.553  27.837  1 42.19  ? 53  VAL   B HG23 1 c 1 
ATOM   595  N N    . TYR   A 1 42  ? -9.192  28.482  26.423  1 43.748 ? 54  TYR   B N    1 ? 1 
ATOM   596  C CA   . TYR   A 1 42  ? -7.781  28.562  26.077  1 41.81  ? 54  TYR   B CA   1 ? 1 
ATOM   597  C C    . TYR   A 1 42  ? -7.022  27.578  26.97   1 39.202 ? 54  TYR   B C    1 ? 1 
ATOM   598  O O    . TYR   A 1 42  ? -7.085  27.685  28.184  1 37.715 ? 54  TYR   B O    1 ? 1 
ATOM   599  C CB   . TYR   A 1 42  ? -7.187  29.953  26.327  1 46.458 ? 54  TYR   B CB   1 ? 1 
ATOM   600  C CG   . TYR   A 1 42  ? -7.836  31.034  25.482  1 48.563 ? 54  TYR   B CG   1 ? 1 
ATOM   601  C CD1  . TYR   A 1 42  ? -9.084  31.553  25.83   1 50.711 ? 54  TYR   B CD1  1 ? 1 
ATOM   602  C CD2  . TYR   A 1 42  ? -7.19   31.577  24.38   1 53.291 ? 54  TYR   B CD2  1 ? 1 
ATOM   603  C CE1  . TYR   A 1 42  ? -9.7    32.526  25.059  1 54.656 ? 54  TYR   B CE1  1 ? 1 
ATOM   604  C CE2  . TYR   A 1 42  ? -7.759  32.609  23.658  1 54.606 ? 54  TYR   B CE2  1 ? 1 
ATOM   605  C CZ   . TYR   A 1 42  ? -9.022  33.06   23.985  1 56.944 ? 54  TYR   B CZ   1 ? 1 
ATOM   606  O OH   . TYR   A 1 42  ? -9.599  34.061  23.241  1 66.84  ? 54  TYR   B OH   1 ? 1 
ATOM   607  H H    . TYR   A 1 42  ? -9.436  28.713  27.272  1 42.864 ? 54  TYR   B H    1 c 1 
ATOM   608  H HA   . TYR   A 1 42  ? -7.655  28.314  25.123  1 42.625 ? 54  TYR   B HA   1 c 1 
ATOM   609  H HB2  . TYR   A 1 42  ? -7.299  30.179  27.277  1 45.989 ? 54  TYR   B HB2  1 c 1 
ATOM   610  H HB3  . TYR   A 1 42  ? -6.224  29.926  26.128  1 46.775 ? 54  TYR   B HB3  1 c 1 
ATOM   611  H HD1  . TYR   A 1 42  ? -9.552  31.18   26.56   1 49.269 ? 54  TYR   B HD1  1 c 1 
ATOM   612  H HD2  . TYR   A 1 42  ? -6.325  31.275  24.154  1 52.541 ? 54  TYR   B HD2  1 c 1 
ATOM   613  H HE1  . TYR   A 1 42  ? -10.545 32.864  25.302  1 54.732 ? 54  TYR   B HE1  1 c 1 
ATOM   614  H HE2  . TYR   A 1 42  ? -7.318  32.955  22.901  1 57.151 ? 54  TYR   B HE2  1 c 1 
ATOM   615  H HH   . TYR   A 1 42  ? -10.366 34.238  23.556  0 20     ? 54  TYR   B HH   1 c 1 
ATOM   616  N N    . VAL   A 1 43  ? -6.319  26.627  26.336  1 39.492 ? 55  VAL   B N    1 ? 1 
ATOM   617  C CA   . VAL   A 1 43  ? -5.579  25.686  27.166  1 38.833 ? 55  VAL   B CA   1 ? 1 
ATOM   618  C C    . VAL   A 1 43  ? -4.172  25.425  26.628  1 39.884 ? 55  VAL   B C    1 ? 1 
ATOM   619  O O    . VAL   A 1 43  ? -3.882  25.702  25.444  1 40.695 ? 55  VAL   B O    1 ? 1 
ATOM   620  C CB   . VAL   A 1 43  ? -6.311  24.337  27.283  1 34.09  ? 55  VAL   B CB   1 ? 1 
ATOM   621  C CG1  . VAL   A 1 43  ? -7.716  24.506  27.825  1 34.415 ? 55  VAL   B CG1  1 ? 1 
ATOM   622  C CG2  . VAL   A 1 43  ? -6.245  23.525  25.996  1 35.693 ? 55  VAL   B CG2  1 ? 1 
ATOM   623  H H    . VAL   A 1 43  ? -6.297  26.562  25.425  1 39.736 ? 55  VAL   B H    1 c 1 
ATOM   624  H HA   . VAL   A 1 43  ? -5.494  26.066  28.06   1 38.678 ? 55  VAL   B HA   1 c 1 
ATOM   625  H HB   . VAL   A 1 43  ? -5.82   23.814  27.96   1 34.525 ? 55  VAL   B HB   1 c 1 
ATOM   626  H HG11 . VAL   A 1 43  ? -8.279  24.91   27.145  1 34.563 ? 55  VAL   B HG11 1 c 1 
ATOM   627  H HG12 . VAL   A 1 43  ? -7.694  25.079  28.61   1 34.707 ? 55  VAL   B HG12 1 c 1 
ATOM   628  H HG13 . VAL   A 1 43  ? -8.077  23.637  28.069  1 32.491 ? 55  VAL   B HG13 1 c 1 
ATOM   629  H HG21 . VAL   A 1 43  ? -6.94   22.848  26.006  1 33.599 ? 55  VAL   B HG21 1 c 1 
ATOM   630  H HG22 . VAL   A 1 43  ? -5.376  23.094  25.926  1 35.252 ? 55  VAL   B HG22 1 c 1 
ATOM   631  H HG23 . VAL   A 1 43  ? -6.377  24.113  25.234  1 36.188 ? 55  VAL   B HG23 1 c 1 
ATOM   632  N N    . HIS   A 1 44  ? -3.315  24.895  27.518  1 38.965 ? 56  HIS   B N    1 ? 1 
ATOM   633  C CA   . HIS   A 1 44  ? -2.148  24.096  27.139  1 38.997 ? 56  HIS   B CA   1 ? 1 
ATOM   634  C C    . HIS   A 1 44  ? -2.452  22.642  27.539  1 36.332 ? 56  HIS   B C    1 ? 1 
ATOM   635  O O    . HIS   A 1 44  ? -3.096  22.357  28.534  1 36.428 ? 56  HIS   B O    1 ? 1 
ATOM   636  C CB   . HIS   A 1 44  ? -0.806  24.586  27.768  1 41.48  ? 56  HIS   B CB   1 ? 1 
ATOM   637  C CG   . HIS   A 1 44  ? -0.111  25.608  26.916  1 46.167 ? 56  HIS   B CG   1 ? 1 
ATOM   638  N ND1  . HIS   A 1 44  ? 0.108   25.387  25.568  1 51.461 ? 56  HIS   B ND1  1 ? 1 
ATOM   639  C CD2  . HIS   A 1 44  ? 0.28    26.837  27.167  1 48.972 ? 56  HIS   B CD2  1 ? 1 
ATOM   640  C CE1  . HIS   A 1 44  ? 0.669   26.459  25.047  1 58.476 ? 56  HIS   B CE1  1 ? 1 
ATOM   641  N NE2  . HIS   A 1 44  ? 0.775   27.366  25.996  1 56.85  ? 56  HIS   B NE2  1 ? 1 
ATOM   642  H H    . HIS   A 1 44  ? -3.466  25.041  28.407  1 38.798 ? 56  HIS   B H    1 c 1 
ATOM   643  H HA   . HIS   A 1 44  ? -2.066  24.131  26.155  1 39.738 ? 56  HIS   B HA   1 c 1 
ATOM   644  H HB2  . HIS   A 1 44  ? -0.993  24.976  28.65   1 41.853 ? 56  HIS   B HB2  1 c 1 
ATOM   645  H HB3  . HIS   A 1 44  ? -0.212  23.814  27.891  1 41.58  ? 56  HIS   B HB3  1 c 1 
ATOM   646  H HD1  . HIS   A 1 44  ? -0.1    24.664  25.119  0 20     ? 56  HIS   B HD1  1 c 1 
ATOM   647  H HD2  . HIS   A 1 44  ? 0.24    27.278  27.993  1 50.445 ? 56  HIS   B HD2  1 c 1 
ATOM   648  H HE1  . HIS   A 1 44  ? 0.944   26.559  24.151  1 58.007 ? 56  HIS   B HE1  1 c 1 
ATOM   649  H HE2  . HIS   A 1 44  ? 1.08    28.198  25.884  0 20     ? 56  HIS   B HE2  1 c 1 
ATOM   650  N N    . TYR   A 1 45  ? -1.991  21.698  26.717  1 37.126 ? 57  TYR   B N    1 ? 1 
ATOM   651  C CA   . TYR   A 1 45  ? -2.2    20.293  26.991  1 33.058 ? 57  TYR   B CA   1 ? 1 
ATOM   652  C C    . TYR   A 1 45  ? -0.985  19.453  26.569  1 33.113 ? 57  TYR   B C    1 ? 1 
ATOM   653  O O    . TYR   A 1 45  ? -0.293  19.764  25.591  1 37.745 ? 57  TYR   B O    1 ? 1 
ATOM   654  C CB   . TYR   A 1 45  ? -3.49   19.76   26.309  1 29.215 ? 57  TYR   B CB   1 ? 1 
ATOM   655  C CG   . TYR   A 1 45  ? -3.421  19.58   24.803  1 31.768 ? 57  TYR   B CG   1 ? 1 
ATOM   656  C CD1  . TYR   A 1 45  ? -2.991  18.399  24.227  1 31.468 ? 57  TYR   B CD1  1 ? 1 
ATOM   657  C CD2  . TYR   A 1 45  ? -3.723  20.614  23.949  1 32.04  ? 57  TYR   B CD2  1 ? 1 
ATOM   658  C CE1  . TYR   A 1 45  ? -2.961  18.211  22.855  1 37.267 ? 57  TYR   B CE1  1 ? 1 
ATOM   659  C CE2  . TYR   A 1 45  ? -3.674  20.451  22.577  1 37.088 ? 57  TYR   B CE2  1 ? 1 
ATOM   660  C CZ   . TYR   A 1 45  ? -3.258  19.268  22.008  1 33.213 ? 57  TYR   B CZ   1 ? 1 
ATOM   661  O OH   . TYR   A 1 45  ? -3.207  19.14   20.613  1 41.484 ? 57  TYR   B OH   1 ? 1 
ATOM   662  H H    . TYR   A 1 45  ? -1.532  21.938  25.964  1 37.662 ? 57  TYR   B H    1 c 1 
ATOM   663  H HA   . TYR   A 1 45  ? -2.312  20.192  27.97   1 32.317 ? 57  TYR   B HA   1 c 1 
ATOM   664  H HB2  . TYR   A 1 45  ? -3.717  18.895  26.717  1 28.81  ? 57  TYR   B HB2  1 c 1 
ATOM   665  H HB3  . TYR   A 1 45  ? -4.224  20.381  26.516  1 29.742 ? 57  TYR   B HB3  1 c 1 
ATOM   666  H HD1  . TYR   A 1 45  ? -2.784  17.668  24.788  1 31.86  ? 57  TYR   B HD1  1 c 1 
ATOM   667  H HD2  . TYR   A 1 45  ? -4.009  21.44   24.305  1 33.506 ? 57  TYR   B HD2  1 c 1 
ATOM   668  H HE1  . TYR   A 1 45  ? -2.665  17.392  22.501  1 34.838 ? 57  TYR   B HE1  1 c 1 
ATOM   669  H HE2  . TYR   A 1 45  ? -3.894  21.177  22.018  1 36.246 ? 57  TYR   B HE2  1 c 1 
ATOM   670  H HH   . TYR   A 1 45  ? -2.959  18.33   20.396  0 20     ? 57  TYR   B HH   1 c 1 
ATOM   671  N N    . LYS   A 1 46  ? -0.859  18.319  27.248  1 35.237 ? 58  LYS   B N    1 ? 1 
ATOM   672  C CA   . LYS   A 1 46  ? -0.036  17.193  26.829  1 35.638 ? 58  LYS   B CA   1 ? 1 
ATOM   673  C C    . LYS   A 1 46  ? -0.908  15.951  26.749  1 35.099 ? 58  LYS   B C    1 ? 1 
ATOM   674  O O    . LYS   A 1 46  ? -1.62   15.655  27.694  1 33.701 ? 58  LYS   B O    1 ? 1 
ATOM   675  C CB   . LYS   A 1 46  ? 1.061   16.865  27.881  1 33.742 ? 58  LYS   B CB   1 ? 1 
ATOM   676  H H    . LYS   A 1 46  ? -1.32   18.238  28.034  1 33.308 ? 58  LYS   B H    1 c 1 
ATOM   677  H HA   . LYS   A 1 46  ? 0.363   17.384  25.944  1 36.644 ? 58  LYS   B HA   1 c 1 
ATOM   678  H HB2  . LYS   A 1 46  ? 1.927   16.985  27.482  0 20     ? 58  LYS   B HB2  1 c 1 
ATOM   679  H HB3  . LYS   A 1 46  ? 0.6     16.591  28.722  0 20     ? 58  LYS   B HB3  1 c 1 
ATOM   680  N N    . GLY   A 1 47  ? -0.964  15.297  25.595  1 33.678 ? 59  GLY   B N    1 ? 1 
ATOM   681  C CA   . GLY   A 1 47  ? -1.812  14.133  25.483  1 30.429 ? 59  GLY   B CA   1 ? 1 
ATOM   682  C C    . GLY   A 1 47  ? -1.062  12.941  24.931  1 33.219 ? 59  GLY   B C    1 ? 1 
ATOM   683  O O    . GLY   A 1 47  ? -0.049  13.099  24.26   1 39.656 ? 59  GLY   B O    1 ? 1 
ATOM   684  H H    . GLY   A 1 47  ? -0.474  15.573  24.874  1 34.995 ? 59  GLY   B H    1 c 1 
ATOM   685  H HA2  . GLY   A 1 47  ? -2.174  13.907  26.369  1 30.166 ? 59  GLY   B HA2  1 c 1 
ATOM   686  H HA3  . GLY   A 1 47  ? -2.572  14.345  24.891  1 30.553 ? 59  GLY   B HA3  1 c 1 
ATOM   687  N N    . LYS   A 1 48  ? -1.588  11.742  25.155  1 30.639 ? 60  LYS   B N    1 ? 1 
ATOM   688  C CA   . LYS   A 1 48  ? -0.982  10.57   24.591  1 31.98  ? 60  LYS   B CA   1 ? 1 
ATOM   689  C C    . LYS   A 1 48  ? -1.986  9.431   24.644  1 34.497 ? 60  LYS   B C    1 ? 1 
ATOM   690  O O    . LYS   A 1 48  ? -2.945  9.452   25.407  1 29.21  ? 60  LYS   B O    1 ? 1 
ATOM   691  C CB   . LYS   A 1 48  ? 0.31    10.16   25.32   1 36.557 ? 60  LYS   B CB   1 ? 1 
ATOM   692  C CG   . LYS   A 1 48  ? 0.058   9.886   26.806  1 36.522 ? 60  LYS   B CG   1 ? 1 
ATOM   693  C CD   . LYS   A 1 48  ? 1.322   9.379   27.493  1 39.103 ? 60  LYS   B CD   1 ? 1 
ATOM   694  C CE   . LYS   A 1 48  ? 1.286   9.253   28.989  1 44.248 ? 60  LYS   B CE   1 ? 1 
ATOM   695  N NZ   . LYS   A 1 48  ? 2.535   8.623   29.506  1 52.569 ? 60  LYS   B NZ   1 ? 1 
ATOM   696  H H    . LYS   A 1 48  ? -2.338  11.657  25.671  1 29.665 ? 60  LYS   B H    1 c 1 
ATOM   697  H HA   . LYS   A 1 48  ? -0.772  10.757  23.643  1 34.268 ? 60  LYS   B HA   1 c 1 
ATOM   698  H HB2  . LYS   A 1 48  ? 0.675   9.349   24.905  1 37.212 ? 60  LYS   B HB2  1 c 1 
ATOM   699  H HB3  . LYS   A 1 48  ? 0.976   10.874  25.235  1 37.306 ? 60  LYS   B HB3  1 c 1 
ATOM   700  H HG2  . LYS   A 1 48  ? -0.239  10.716  27.239  1 35.63  ? 60  LYS   B HG2  1 c 1 
ATOM   701  H HG3  . LYS   A 1 48  ? -0.653  9.216   26.896  1 35.33  ? 60  LYS   B HG3  1 c 1 
ATOM   702  H HD2  . LYS   A 1 48  ? 1.54    8.5     27.114  1 41.033 ? 60  LYS   B HD2  1 c 1 
ATOM   703  H HD3  . LYS   A 1 48  ? 2.06    9.981   27.251  1 41.661 ? 60  LYS   B HD3  1 c 1 
ATOM   704  H HE2  . LYS   A 1 48  ? 1.185   10.136  29.389  1 43.653 ? 60  LYS   B HE2  1 c 1 
ATOM   705  H HE3  . LYS   A 1 48  ? 0.522   8.71    29.253  1 42.808 ? 60  LYS   B HE3  1 c 1 
ATOM   706  H HZ1  . LYS   A 1 48  ? 3.252   9.119   29.262  1 51.974 ? 60  LYS   B HZ1  1 c 1 
ATOM   707  H HZ2  . LYS   A 1 48  ? 2.62    7.788   29.165  1 51.15  ? 60  LYS   B HZ2  1 c 1 
ATOM   708  H HZ3  . LYS   A 1 48  ? 2.501   8.573   30.41   1 50.48  ? 60  LYS   B HZ3  1 c 1 
ATOM   709  N N    . LEU   A 1 49  ? -1.72   8.436   23.815  1 33.351 ? 61  LEU   B N    1 ? 1 
ATOM   710  C CA   . LEU   A 1 49  ? -2.439  7.166   24.014  1 34.676 ? 61  LEU   B CA   1 ? 1 
ATOM   711  C C    . LEU   A 1 49  ? -1.991  6.605   25.363  1 36.064 ? 61  LEU   B C    1 ? 1 
ATOM   712  O O    . LEU   A 1 49  ? -0.854  6.788   25.743  1 40.148 ? 61  LEU   B O    1 ? 1 
ATOM   713  C CB   . LEU   A 1 49  ? -2.142  6.125   22.939  1 34.007 ? 61  LEU   B CB   1 ? 1 
ATOM   714  C CG   . LEU   A 1 49  ? -2.344  6.61    21.502  1 36.865 ? 61  LEU   B CG   1 ? 1 
ATOM   715  C CD1  . LEU   A 1 49  ? -1.919  5.459   20.578  1 38.831 ? 61  LEU   B CD1  1 ? 1 
ATOM   716  C CD2  . LEU   A 1 49  ? -3.741  7.05    21.252  1 35.762 ? 61  LEU   B CD2  1 ? 1 
ATOM   717  H H    . LEU   A 1 49  ? -1.105  8.52    23.145  1 35.731 ? 61  LEU   B H    1 c 1 
ATOM   718  H HA   . LEU   A 1 49  ? -3.413  7.347   24.041  1 32.659 ? 61  LEU   B HA   1 c 1 
ATOM   719  H HB2  . LEU   A 1 49  ? -1.207  5.832   23.043  1 36.692 ? 61  LEU   B HB2  1 c 1 
ATOM   720  H HB3  . LEU   A 1 49  ? -2.726  5.347   23.092  1 34.54  ? 61  LEU   B HB3  1 c 1 
ATOM   721  H HG   . LEU   A 1 49  ? -1.742  7.38    21.34   1 37.462 ? 61  LEU   B HG   1 c 1 
ATOM   722  H HD11 . LEU   A 1 49  ? -1.036  5.143   20.833  1 40.372 ? 61  LEU   B HD11 1 c 1 
ATOM   723  H HD12 . LEU   A 1 49  ? -1.896  5.772   19.658  1 39.787 ? 61  LEU   B HD12 1 c 1 
ATOM   724  H HD13 . LEU   A 1 49  ? -2.556  4.729   20.655  1 38.377 ? 61  LEU   B HD13 1 c 1 
ATOM   725  H HD21 . LEU   A 1 49  ? -3.903  7.894   21.705  1 34.602 ? 61  LEU   B HD21 1 c 1 
ATOM   726  H HD22 . LEU   A 1 49  ? -4.358  6.379   21.588  1 34.767 ? 61  LEU   B HD22 1 c 1 
ATOM   727  H HD23 . LEU   A 1 49  ? -3.879  7.166   20.296  1 36.285 ? 61  LEU   B HD23 1 c 1 
ATOM   728  N N    . SER   A 1 50  ? -2.876  5.921   26.086  1 33.173 ? 62  SER   B N    1 ? 1 
ATOM   729  C CA   . SER   A 1 50  ? -2.501  5.481   27.419  1 38.238 ? 62  SER   B CA   1 ? 1 
ATOM   730  C C    . SER   A 1 50  ? -1.352  4.479   27.368  1 43.334 ? 62  SER   B C    1 ? 1 
ATOM   731  O O    . SER   A 1 50  ? -0.616  4.431   28.33   1 48.277 ? 62  SER   B O    1 ? 1 
ATOM   732  C CB   . SER   A 1 50  ? -3.647  4.952   28.175  1 39.153 ? 62  SER   B CB   1 ? 1 
ATOM   733  O OG   . SER   A 1 50  ? -4.154  3.8     27.506  1 47.321 ? 62  SER   B OG   1 ? 1 
ATOM   734  H H    . SER   A 1 50  ? -3.706  5.727   25.756  1 33.788 ? 62  SER   B H    1 c 1 
ATOM   735  H HA   . SER   A 1 50  ? -2.172  6.278   27.907  1 37.979 ? 62  SER   B HA   1 c 1 
ATOM   736  H HB2  . SER   A 1 50  ? -3.363  4.712   29.078  1 40.605 ? 62  SER   B HB2  1 c 1 
ATOM   737  H HB3  . SER   A 1 50  ? -4.344  5.633   28.236  1 38.997 ? 62  SER   B HB3  1 c 1 
ATOM   738  H HG   . SER   A 1 50  ? -4.819  3.461   27.893  0 20     ? 62  SER   B HG   1 c 1 
ATOM   739  N N    . ASN   A 1 51  ? -1.22   3.729   26.272  1 44.585 ? 63  ASN   B N    1 ? 1 
ATOM   740  C CA   . ASN   A 1 51  ? -0.1    2.835   25.938  1 55.391 ? 63  ASN   B CA   1 ? 1 
ATOM   741  C C    . ASN   A 1 51  ? 1.173   3.579   25.499  1 56.871 ? 63  ASN   B C    1 ? 1 
ATOM   742  O O    . ASN   A 1 51  ? 2.063   2.96    24.936  1 59.345 ? 63  ASN   B O    1 ? 1 
ATOM   743  C CB   . ASN   A 1 51  ? -0.442  1.913   24.759  1 49.338 ? 63  ASN   B CB   1 ? 1 
ATOM   744  H H    . ASN   A 1 51  ? -1.907  3.768   25.67   1 45.295 ? 63  ASN   B H    1 c 1 
ATOM   745  H HA   . ASN   A 1 51  ? 0.103   2.272   26.719  1 52.804 ? 63  ASN   B HA   1 c 1 
ATOM   746  H HB2  . ASN   A 1 51  ? 0.41    1.696   24.278  0 20     ? 63  ASN   B HB2  1 c 1 
ATOM   747  H HB3  . ASN   A 1 51  ? -1.401  1.898   24.58   0 20     ? 63  ASN   B HB3  1 c 1 
ATOM   748  N N    . GLY   A 1 52  ? 1.286   4.892   25.799  1 67.555 ? 64  GLY   B N    1 ? 1 
ATOM   749  C CA   . GLY   A 1 52  ? 2.534   5.658   25.698  1 55.233 ? 64  GLY   B CA   1 ? 1 
ATOM   750  C C    . GLY   A 1 52  ? 3.047   5.856   24.271  1 64.421 ? 64  GLY   B C    1 ? 1 
ATOM   751  O O    . GLY   A 1 52  ? 4.179   6.29    24.083  1 73.2   ? 64  GLY   B O    1 ? 1 
ATOM   752  H H    . GLY   A 1 52  ? 0.537   5.34    26.067  1 58.871 ? 64  GLY   B H    1 c 1 
ATOM   753  H HA2  . GLY   A 1 52  ? 2.392   6.542   26.11   1 58.728 ? 64  GLY   B HA2  1 c 1 
ATOM   754  H HA3  . GLY   A 1 52  ? 3.227   5.195   26.225  1 61.272 ? 64  GLY   B HA3  1 c 1 
ATOM   755  N N    . LYS   A 1 53  ? 2.254   5.533   23.248  1 74.333 ? 65  LYS   B N    1 ? 1 
ATOM   756  C CA   . LYS   A 1 53  ? 2.693   5.7     21.867  1 73.587 ? 65  LYS   B CA   1 ? 1 
ATOM   757  C C    . LYS   A 1 53  ? 1.886   6.879   21.286  1 76.757 ? 65  LYS   B C    1 ? 1 
ATOM   758  O O    . LYS   A 1 53  ? 0.676   6.946   21.467  1 95.699 ? 65  LYS   B O    1 ? 1 
ATOM   759  C CB   . LYS   A 1 53  ? 2.591   4.3     21.226  1 71.091 ? 65  LYS   B CB   1 ? 1 
ATOM   760  H H    . LYS   A 1 53  ? 1.41    5.219   23.408  1 69.206 ? 65  LYS   B H    1 c 1 
ATOM   761  H HA   . LYS   A 1 53  ? 3.649   5.955   21.872  1 76.001 ? 65  LYS   B HA   1 c 1 
ATOM   762  H HB2  . LYS   A 1 53  ? 3.458   3.964   20.966  0 20     ? 65  LYS   B HB2  1 c 1 
ATOM   763  H HB3  . LYS   A 1 53  ? 1.606   4.111   21.042  0 20     ? 65  LYS   B HB3  1 c 1 
ATOM   764  N N    . LYS   A 1 54  ? 2.543   7.877   20.667  1 73.05  ? 66  LYS   B N    1 ? 1 
ATOM   765  C CA   . LYS   A 1 54  ? 1.918   9.129   20.236  1 60.106 ? 66  LYS   B CA   1 ? 1 
ATOM   766  C C    . LYS   A 1 54  ? 1.779   10.057  21.452  1 54.75  ? 66  LYS   B C    1 ? 1 
ATOM   767  O O    . LYS   A 1 54  ? 0.93    9.746   22.307  1 63.425 ? 66  LYS   B O    1 ? 1 
ATOM   768  C CB   . LYS   A 1 54  ? 0.571   8.955   19.508  1 55.282 ? 66  LYS   B CB   1 ? 1 
ATOM   769  H H    . LYS   A 1 54  ? 3.435   7.767   20.503  1 73.333 ? 66  LYS   B H    1 c 1 
ATOM   770  H HA   . LYS   A 1 54  ? 2.535   9.561   19.593  1 62.668 ? 66  LYS   B HA   1 c 1 
ATOM   771  H HB2  . LYS   A 1 54  ? 0.681   8.633   18.587  0 20     ? 66  LYS   B HB2  1 c 1 
ATOM   772  H HB3  . LYS   A 1 54  ? -0.19   9.089   20.164  0 20     ? 66  LYS   B HB3  1 c 1 
ATOM   773  N N    . PHE   A 1 55  ? 2.641   11.098  21.525  1 57.007 ? 67  PHE   B N    1 ? 1 
ATOM   774  C CA   . PHE   A 1 55  ? 2.665   12.17   22.511  1 56.624 ? 67  PHE   B CA   1 ? 1 
ATOM   775  C C    . PHE   A 1 55  ? 2.445   13.499  21.781  1 52.13  ? 67  PHE   B C    1 ? 1 
ATOM   776  O O    . PHE   A 1 55  ? 3.256   13.919  20.979  1 56.282 ? 67  PHE   B O    1 ? 1 
ATOM   777  C CB   . PHE   A 1 55  ? 3.939   11.982  23.333  1 55.408 ? 67  PHE   B CB   1 ? 1 
ATOM   778  C CG   . PHE   A 1 55  ? 3.781   12.412  24.796  1 73.432 ? 67  PHE   B CG   1 ? 1 
ATOM   779  C CD1  . PHE   A 1 55  ? 3.005   13.529  25.159  1 79.271 ? 67  PHE   B CD1  1 ? 1 
ATOM   780  C CD2  . PHE   A 1 55  ? 4.324   11.644  25.834  1 83.799 ? 67  PHE   B CD2  1 ? 1 
ATOM   781  C CE1  . PHE   A 1 55  ? 2.807   13.871  26.501  1 88.241 ? 67  PHE   B CE1  1 ? 1 
ATOM   782  C CE2  . PHE   A 1 55  ? 4.128   11.998  27.18   1 84.753 ? 67  PHE   B CE2  1 ? 1 
ATOM   783  C CZ   . PHE   A 1 55  ? 3.366   13.103  27.511  1 85.334 ? 67  PHE   B CZ   1 ? 1 
ATOM   784  H H    . PHE   A 1 55  ? 3.285   11.129  20.877  1 59.004 ? 67  PHE   B H    1 c 1 
ATOM   785  H HA   . PHE   A 1 55  ? 1.894   12.029  23.12   1 52.968 ? 67  PHE   B HA   1 c 1 
ATOM   786  H HB2  . PHE   A 1 55  ? 4.196   11.033  23.305  1 60.389 ? 67  PHE   B HB2  1 c 1 
ATOM   787  H HB3  . PHE   A 1 55  ? 4.66    12.507  22.92   1 61.842 ? 67  PHE   B HB3  1 c 1 
ATOM   788  H HD1  . PHE   A 1 55  ? 2.603   14.052  24.485  1 78.844 ? 67  PHE   B HD1  1 c 1 
ATOM   789  H HD2  . PHE   A 1 55  ? 4.833   10.877  25.624  1 82.93  ? 67  PHE   B HD2  1 c 1 
ATOM   790  H HE1  . PHE   A 1 55  ? 2.299   14.633  26.718  1 83.257 ? 67  PHE   B HE1  1 c 1 
ATOM   791  H HE2  . PHE   A 1 55  ? 4.518   11.476  27.863  1 85.181 ? 67  PHE   B HE2  1 c 1 
ATOM   792  H HZ   . PHE   A 1 55  ? 3.254   13.35   28.415  1 84.86  ? 67  PHE   B HZ   1 c 1 
ATOM   793  N N    . ASP   A 1 56  ? 1.309   14.158  22.006  1 45.023 ? 68  ASP   B N    1 ? 1 
ATOM   794  C CA   . ASP   A 1 56  ? 0.92    15.361  21.279  1 43.194 ? 68  ASP   B CA   1 ? 1 
ATOM   795  C C    . ASP   A 1 56  ? 0.801   16.487  22.28   1 48.609 ? 68  ASP   B C    1 ? 1 
ATOM   796  O O    . ASP   A 1 56  ? 0.21    16.337  23.363  1 42.632 ? 68  ASP   B O    1 ? 1 
ATOM   797  C CB   . ASP   A 1 56  ? -0.451  15.227  20.607  1 41.364 ? 68  ASP   B CB   1 ? 1 
ATOM   798  C CG   . ASP   A 1 56  ? -1.077  16.504  20.059  1 49.253 ? 68  ASP   B CG   1 ? 1 
ATOM   799  O OD1  . ASP   A 1 56  ? -0.328  17.287  19.382  1 52.524 ? 68  ASP   B OD1  1 ? 1 
ATOM   800  O OD2  . ASP   A 1 56  ? -2.26   16.793  20.374  1 44.144 ? 68  ASP   B OD2  1 ? 1 
ATOM   801  H H    . ASP   A 1 56  ? 0.742   13.843  22.651  1 43.947 ? 68  ASP   B H    1 c 1 
ATOM   802  H HA   . ASP   A 1 56  ? 1.608   15.579  20.612  1 46.805 ? 68  ASP   B HA   1 c 1 
ATOM   803  H HB2  . ASP   A 1 56  ? -0.367  14.593  19.865  1 43.638 ? 68  ASP   B HB2  1 c 1 
ATOM   804  H HB3  . ASP   A 1 56  ? -1.075  14.842  21.257  1 41.124 ? 68  ASP   B HB3  1 c 1 
ATOM   805  N N    . SER   A 1 57  ? 1.346   17.65   21.919  1 47.378 ? 69  SER   B N    1 ? 1 
ATOM   806  C CA   . SER   A 1 57  ? 1.249   18.747  22.864  1 50.098 ? 69  SER   B CA   1 ? 1 
ATOM   807  C C    . SER   A 1 57  ? 1.154   20.092  22.157  1 52.005 ? 69  SER   B C    1 ? 1 
ATOM   808  O O    . SER   A 1 57  ? 1.814   20.303  21.142  1 53.607 ? 69  SER   B O    1 ? 1 
ATOM   809  C CB   . SER   A 1 57  ? 2.361   18.715  23.866  1 58.729 ? 69  SER   B CB   1 ? 1 
ATOM   810  O OG   . SER   A 1 57  ? 2.695   20.011  24.35   1 58.918 ? 69  SER   B OG   1 ? 1 
ATOM   811  H H    . SER   A 1 57  ? 1.764   17.765  21.114  1 50.412 ? 69  SER   B H    1 c 1 
ATOM   812  H HA   . SER   A 1 57  ? 0.403   18.625  23.364  1 48.626 ? 69  SER   B HA   1 c 1 
ATOM   813  H HB2  . SER   A 1 57  ? 2.098   18.15   24.616  1 54.94  ? 69  SER   B HB2  1 c 1 
ATOM   814  H HB3  . SER   A 1 57  ? 3.15    18.314  23.453  1 58.081 ? 69  SER   B HB3  1 c 1 
ATOM   815  H HG   . SER   A 1 57  ? 3.282   19.925  24.914  0 20     ? 69  SER   B HG   1 c 1 
ATOM   816  N N    . SER   A 1 58  ? 0.286   20.963  22.679  1 45.101 ? 70  SER   B N    1 ? 1 
ATOM   817  C CA   . SER   A 1 58  ? 0.151   22.336  22.214  1 48.501 ? 70  SER   B CA   1 ? 1 
ATOM   818  C C    . SER   A 1 58  ? 1.499   23.03   22.112  1 58.405 ? 70  SER   B C    1 ? 1 
ATOM   819  O O    . SER   A 1 58  ? 1.697   23.854  21.209  1 62.188 ? 70  SER   B O    1 ? 1 
ATOM   820  C CB   . SER   A 1 58  ? -0.772  23.081  23.117  1 47.741 ? 70  SER   B CB   1 ? 1 
ATOM   821  O OG   . SER   A 1 58  ? -0.417  22.917  24.474  1 39.579 ? 70  SER   B OG   1 ? 1 
ATOM   822  H H    . SER   A 1 58  ? -0.253  20.685  23.364  1 45.044 ? 70  SER   B H    1 c 1 
ATOM   823  H HA   . SER   A 1 58  ? -0.252  22.313  21.309  1 49.59  ? 70  SER   B HA   1 c 1 
ATOM   824  H HB2  . SER   A 1 58  ? -0.749  24.03   22.889  1 47.168 ? 70  SER   B HB2  1 c 1 
ATOM   825  H HB3  . SER   A 1 58  ? -1.684  22.76   22.981  1 43.96  ? 70  SER   B HB3  1 c 1 
ATOM   826  H HG   . SER   A 1 58  ? -0.94   23.35   24.979  0 20     ? 70  SER   B HG   1 c 1 
ATOM   827  N N    . HIS   A 1 59  ? 2.446   22.702  23.009  1 56.215 ? 71  HIS   B N    1 ? 1 
ATOM   828  C CA   . HIS   A 1 59  ? 3.776   23.345  22.99   1 53.43  ? 71  HIS   B CA   1 ? 1 
ATOM   829  C C    . HIS   A 1 59  ? 4.531   23.144  21.685  1 57.228 ? 71  HIS   B C    1 ? 1 
ATOM   830  O O    . HIS   A 1 59  ? 5.204   24.044  21.215  1 61.478 ? 71  HIS   B O    1 ? 1 
ATOM   831  C CB   . HIS   A 1 59  ? 4.611   22.814  24.153  1 55.611 ? 71  HIS   B CB   1 ? 1 
ATOM   832  C CG   . HIS   A 1 59  ? 3.987   23.207  25.47   1 53.928 ? 71  HIS   B CG   1 ? 1 
ATOM   833  N ND1  . HIS   A 1 59  ? 3.682   24.521  25.771  1 53.854 ? 71  HIS   B ND1  1 ? 1 
ATOM   834  C CD2  . HIS   A 1 59  ? 3.574   22.466  26.512  1 56.806 ? 71  HIS   B CD2  1 ? 1 
ATOM   835  C CE1  . HIS   A 1 59  ? 3.129   24.546  26.984  1 54     ? 71  HIS   B CE1  1 ? 1 
ATOM   836  N NE2  . HIS   A 1 59  ? 3.053   23.327  27.438  1 57.13  ? 71  HIS   B NE2  1 ? 1 
ATOM   837  H H    . HIS   A 1 59  ? 2.265   22.078  23.652  1 53.509 ? 71  HIS   B H    1 c 1 
ATOM   838  H HA   . HIS   A 1 59  ? 3.637   24.313  23.116  1 56.166 ? 71  HIS   B HA   1 c 1 
ATOM   839  H HB2  . HIS   A 1 59  ? 4.661   21.835  24.094  1 54.171 ? 71  HIS   B HB2  1 c 1 
ATOM   840  H HB3  . HIS   A 1 59  ? 5.517   23.189  24.097  1 57.708 ? 71  HIS   B HB3  1 c 1 
ATOM   841  H HD1  . HIS   A 1 59  ? 3.772   25.27   25.219  0 20     ? 71  HIS   B HD1  1 c 1 
ATOM   842  H HD2  . HIS   A 1 59  ? 3.64    21.535  26.603  1 54.577 ? 71  HIS   B HD2  1 c 1 
ATOM   843  H HE1  . HIS   A 1 59  ? 2.835   25.321  27.432  1 55.054 ? 71  HIS   B HE1  1 c 1 
ATOM   844  H HE2  . HIS   A 1 59  ? 2.793   23.166  28.249  0 20     ? 71  HIS   B HE2  1 c 1 
ATOM   845  N N    . ASP   A 1 60  ? 4.319   21.98   21.068  1 58.815 ? 72  ASP   B N    1 ? 1 
ATOM   846  C CA   . ASP   A 1 60  ? 4.826   21.642  19.73   1 74.184 ? 72  ASP   B CA   1 ? 1 
ATOM   847  C C    . ASP   A 1 60  ? 4.45    22.726  18.696  1 75.723 ? 72  ASP   B C    1 ? 1 
ATOM   848  O O    . ASP   A 1 60  ? 5.197   22.982  17.75   1 78.653 ? 72  ASP   B O    1 ? 1 
ATOM   849  C CB   . ASP   A 1 60  ? 4.258   20.313  19.201  1 79.811 ? 72  ASP   B CB   1 ? 1 
ATOM   850  C CG   . ASP   A 1 60  ? 4.482   19.038  20.026  1 79.807 ? 72  ASP   B CG   1 ? 1 
ATOM   851  O OD1  . ASP   A 1 60  ? 5.66    18.878  20.511  1 70.678 ? 72  ASP   B OD1  1 ? 1 
ATOM   852  O OD2  . ASP   A 1 60  ? 3.477   18.211  20.167  1 62.607 ? 72  ASP   B OD2  1 ? 1 
ATOM   853  H H    . ASP   A 1 60  ? 3.832   21.346  21.51   1 58.471 ? 72  ASP   B H    1 c 1 
ATOM   854  H HA   . ASP   A 1 60  ? 5.806   21.571  19.776  1 74.447 ? 72  ASP   B HA   1 c 1 
ATOM   855  H HB2  . ASP   A 1 60  ? 3.292   20.421  19.076  1 76.354 ? 72  ASP   B HB2  1 c 1 
ATOM   856  H HB3  . ASP   A 1 60  ? 4.647   20.155  18.315  1 80.145 ? 72  ASP   B HB3  1 c 1 
ATOM   857  N N    . ARG   A 1 61  ? 3.269   23.351  18.858  1 73.222 ? 73  ARG   B N    1 ? 1 
ATOM   858  C CA   . ARG   A 1 61  ? 2.786   24.384  17.953  1 70.299 ? 73  ARG   B CA   1 ? 1 
ATOM   859  C C    . ARG   A 1 61  ? 3.213   25.769  18.485  1 74.107 ? 73  ARG   B C    1 ? 1 
ATOM   860  O O    . ARG   A 1 61  ? 2.947   26.793  17.844  1 69.793 ? 73  ARG   B O    1 ? 1 
ATOM   861  C CB   . ARG   A 1 61  ? 1.297   24.028  17.744  1 65.72  ? 73  ARG   B CB   1 ? 1 
ATOM   862  H H    . ARG   A 1 61  ? 2.74    23.112  19.563  1 69.69  ? 73  ARG   B H    1 c 1 
ATOM   863  H HA   . ARG   A 1 61  ? 3.232   24.254  17.078  1 73.202 ? 73  ARG   B HA   1 c 1 
ATOM   864  H HB2  . ARG   A 1 61  ? 1.202   23.025  17.448  0 20     ? 73  ARG   B HB2  1 c 1 
ATOM   865  H HB3  . ARG   A 1 61  ? 0.712   24.669  18.162  0 20     ? 73  ARG   B HB3  1 c 1 
ATOM   866  N N    . ASN   A 1 62  ? 3.918   25.804  19.643  1 68.914 ? 74  ASN   B N    1 ? 1 
ATOM   867  C CA   . ASN   A 1 62  ? 4.339   27.03   20.324  1 65.618 ? 74  ASN   B CA   1 ? 1 
ATOM   868  C C    . ASN   A 1 62  ? 3.171   28.02   20.517  1 64.332 ? 74  ASN   B C    1 ? 1 
ATOM   869  O O    . ASN   A 1 62  ? 3.372   29.215  20.492  1 69.544 ? 74  ASN   B O    1 ? 1 
ATOM   870  C CB   . ASN   A 1 62  ? 5.62    27.59   19.678  1 68.875 ? 74  ASN   B CB   1 ? 1 
ATOM   871  H H    . ASN   A 1 62  ? 4.151   25.01   20.027  1 67.567 ? 74  ASN   B H    1 c 1 
ATOM   872  H HA   . ASN   A 1 62  ? 4.602   26.757  21.23   1 65.373 ? 74  ASN   B HA   1 c 1 
ATOM   873  H HB2  . ASN   A 1 62  ? 6.383   27.23   20.007  0 20     ? 74  ASN   B HB2  1 c 1 
ATOM   874  H HB3  . ASN   A 1 62  ? 5.31    28.168  18.831  0 20     ? 74  ASN   B HB3  1 c 1 
ATOM   875  N N    . GLU   A 1 63  ? 1.932   27.551  20.803  1 68.147 ? 75  GLU   B N    1 ? 1 
ATOM   876  C CA   . GLU   A 1 63  ? 0.757   28.433  20.913  1 65.837 ? 75  GLU   B CA   1 ? 1 
ATOM   877  C C    . GLU   A 1 63  ? -0.36   27.72   21.673  1 60.27  ? 75  GLU   B C    1 ? 1 
ATOM   878  O O    . GLU   A 1 63  ? -0.537  26.514  21.49   1 53.717 ? 75  GLU   B O    1 ? 1 
ATOM   879  C CB   . GLU   A 1 63  ? 0.177   28.848  19.547  1 68.364 ? 75  GLU   B CB   1 ? 1 
ATOM   880  C CG   . GLU   A 1 63  ? -0.411  27.711  18.686  1 69.052 ? 75  GLU   B CG   1 ? 1 
ATOM   881  C CD   . GLU   A 1 63  ? -1      28.061  17.306  1 75.28  ? 75  GLU   B CD   1 ? 1 
ATOM   882  O OE1  . GLU   A 1 63  ? -1.658  27.203  16.673  1 75.369 ? 75  GLU   B OE1  1 ? 1 
ATOM   883  O OE2  . GLU   A 1 63  ? -0.785  29.196  16.823  1 82.377 ? 75  GLU   B OE2  1 ? 1 
ATOM   884  H H    . GLU   A 1 63  ? 1.818   26.653  20.935  1 63.907 ? 75  GLU   B H    1 c 1 
ATOM   885  H HA   . GLU   A 1 63  ? 1.022   29.244  21.412  1 67.446 ? 75  GLU   B HA   1 c 1 
ATOM   886  H HB2  . GLU   A 1 63  ? -0.528  29.511  19.698  1 68.713 ? 75  GLU   B HB2  1 c 1 
ATOM   887  H HB3  . GLU   A 1 63  ? 0.886   29.285  19.029  1 71.427 ? 75  GLU   B HB3  1 c 1 
ATOM   888  H HG2  . GLU   A 1 63  ? 0.29    27.038  18.548  1 69.461 ? 75  GLU   B HG2  1 c 1 
ATOM   889  H HG3  . GLU   A 1 63  ? -1.119  27.27   19.201  1 66.728 ? 75  GLU   B HG3  1 c 1 
ATOM   890  N N    . PRO   A 1 64  ? -1.153  28.387  22.545  1 55.731 ? 76  PRO   B N    1 ? 1 
ATOM   891  C CA   . PRO   A 1 64  ? -2.284  27.706  23.197  1 53.261 ? 76  PRO   B CA   1 ? 1 
ATOM   892  C C    . PRO   A 1 64  ? -3.286  27.113  22.226  1 47.969 ? 76  PRO   B C    1 ? 1 
ATOM   893  O O    . PRO   A 1 64  ? -3.443  27.569  21.091  1 50.248 ? 76  PRO   B O    1 ? 1 
ATOM   894  C CB   . PRO   A 1 64  ? -2.943  28.795  24.023  1 54.954 ? 76  PRO   B CB   1 ? 1 
ATOM   895  C CG   . PRO   A 1 64  ? -1.78   29.743  24.259  1 56.894 ? 76  PRO   B CG   1 ? 1 
ATOM   896  C CD   . PRO   A 1 64  ? -1.034  29.779  22.961  1 61.06  ? 76  PRO   B CD   1 ? 1 
ATOM   897  H HA   . PRO   A 1 64  ? -1.942  27.003  23.789  1 51.197 ? 76  PRO   B HA   1 c 1 
ATOM   898  H HB2  . PRO   A 1 64  ? -3.662  29.232  23.527  1 54.781 ? 76  PRO   B HB2  1 c 1 
ATOM   899  H HB3  . PRO   A 1 64  ? -3.289  28.44   24.865  1 52.665 ? 76  PRO   B HB3  1 c 1 
ATOM   900  H HG2  . PRO   A 1 64  ? -2.101  30.636  24.495  1 58.895 ? 76  PRO   B HG2  1 c 1 
ATOM   901  H HG3  . PRO   A 1 64  ? -1.203  29.415  24.978  1 57.244 ? 76  PRO   B HG3  1 c 1 
ATOM   902  H HD2  . PRO   A 1 64  ? -1.455  30.378  22.315  1 61.19  ? 76  PRO   B HD2  1 c 1 
ATOM   903  H HD3  . PRO   A 1 64  ? -0.1    30.033  23.088  1 61.805 ? 76  PRO   B HD3  1 c 1 
ATOM   904  N N    . PHE   A 1 65  ? -3.941  26.053  22.673  1 45.109 ? 77  PHE   B N    1 ? 1 
ATOM   905  C CA   . PHE   A 1 65  ? -5.037  25.404  21.957  1 44.608 ? 77  PHE   B CA   1 ? 1 
ATOM   906  C C    . PHE   A 1 65  ? -6.351  26.038  22.389  1 43.902 ? 77  PHE   B C    1 ? 1 
ATOM   907  O O    . PHE   A 1 65  ? -6.628  26.187  23.567  1 40.532 ? 77  PHE   B O    1 ? 1 
ATOM   908  C CB   . PHE   A 1 65  ? -4.994  23.913  22.206  1 41.074 ? 77  PHE   B CB   1 ? 1 
ATOM   909  C CG   . PHE   A 1 65  ? -6.125  23.201  21.48   1 37.949 ? 77  PHE   B CG   1 ? 1 
ATOM   910  C CD1  . PHE   A 1 65  ? -6.078  22.989  20.118  1 43.41  ? 77  PHE   B CD1  1 ? 1 
ATOM   911  C CD2  . PHE   A 1 65  ? -7.246  22.803  22.166  1 42.712 ? 77  PHE   B CD2  1 ? 1 
ATOM   912  C CE1  . PHE   A 1 65  ? -7.115  22.37   19.447  1 42.875 ? 77  PHE   B CE1  1 ? 1 
ATOM   913  C CE2  . PHE   A 1 65  ? -8.268  22.164  21.502  1 39.709 ? 77  PHE   B CE2  1 ? 1 
ATOM   914  C CZ   . PHE   A 1 65  ? -8.209  21.957  20.144  1 37.894 ? 77  PHE   B CZ   1 ? 1 
ATOM   915  H H    . PHE   A 1 65  ? -3.695  25.704  23.481  1 44.383 ? 77  PHE   B H    1 c 1 
ATOM   916  H HA   . PHE   A 1 65  ? -4.913  25.561  20.984  1 45.507 ? 77  PHE   B HA   1 c 1 
ATOM   917  H HB2  . PHE   A 1 65  ? -4.132  23.561  21.891  1 41.602 ? 77  PHE   B HB2  1 c 1 
ATOM   918  H HB3  . PHE   A 1 65  ? -5.071  23.747  23.172  1 39.797 ? 77  PHE   B HB3  1 c 1 
ATOM   919  H HD1  . PHE   A 1 65  ? -5.321  23.277  19.633  1 44.087 ? 77  PHE   B HD1  1 c 1 
ATOM   920  H HD2  . PHE   A 1 65  ? -7.299  22.937  23.099  1 39.738 ? 77  PHE   B HD2  1 c 1 
ATOM   921  H HE1  . PHE   A 1 65  ? -7.058  22.222  18.516  1 43.055 ? 77  PHE   B HE1  1 c 1 
ATOM   922  H HE2  . PHE   A 1 65  ? -9.031  21.884  21.982  1 38.171 ? 77  PHE   B HE2  1 c 1 
ATOM   923  H HZ   . PHE   A 1 65  ? -8.92   21.524  19.698  1 38.789 ? 77  PHE   B HZ   1 c 1 
ATOM   924  N N    . VAL   A 1 66  ? -7.122  26.485  21.377  1 44.202 ? 78  VAL   B N    1 ? 1 
ATOM   925  C CA   . VAL   A 1 66  ? -8.301  27.264  21.676  1 45.885 ? 78  VAL   B CA   1 ? 1 
ATOM   926  C C    . VAL   A 1 66  ? -9.483  26.523  21.061  1 44.783 ? 78  VAL   B C    1 ? 1 
ATOM   927  O O    . VAL   A 1 66  ? -9.412  26.129  19.899  1 49.967 ? 78  VAL   B O    1 ? 1 
ATOM   928  C CB   . VAL   A 1 66  ? -8.118  28.672  21.081  1 53.284 ? 78  VAL   B CB   1 ? 1 
ATOM   929  C CG1  . VAL   A 1 66  ? -9.383  29.51   21.171  1 55.292 ? 78  VAL   B CG1  1 ? 1 
ATOM   930  C CG2  . VAL   A 1 66  ? -6.93   29.389  21.732  1 53.286 ? 78  VAL   B CG2  1 ? 1 
ATOM   931  H H    . VAL   A 1 66  ? -6.91   26.299  20.508  1 45.447 ? 78  VAL   B H    1 c 1 
ATOM   932  H HA   . VAL   A 1 66  ? -8.417  27.329  22.64   1 45.475 ? 78  VAL   B HA   1 c 1 
ATOM   933  H HB   . VAL   A 1 66  ? -7.907  28.556  20.125  1 53.395 ? 78  VAL   B HB   1 c 1 
ATOM   934  H HG11 . VAL   A 1 66  ? -9.766  29.424  22.061  1 53.777 ? 78  VAL   B HG11 1 c 1 
ATOM   935  H HG12 . VAL   A 1 66  ? -10.026 29.201  20.512  1 54.731 ? 78  VAL   B HG12 1 c 1 
ATOM   936  H HG13 . VAL   A 1 66  ? -9.17   30.442  21      1 57.196 ? 78  VAL   B HG13 1 c 1 
ATOM   937  H HG21 . VAL   A 1 66  ? -6.945  30.33   21.492  1 55.96  ? 78  VAL   B HG21 1 c 1 
ATOM   938  H HG22 . VAL   A 1 66  ? -6.1    28.99   21.42   1 53.878 ? 78  VAL   B HG22 1 c 1 
ATOM   939  H HG23 . VAL   A 1 66  ? -6.987  29.301  22.698  1 52.621 ? 78  VAL   B HG23 1 c 1 
ATOM   940  N N    . PHE   A 1 67  ? -10.564 26.405  21.815  1 44.303 ? 79  PHE   B N    1 ? 1 
ATOM   941  C CA   . PHE   A 1 67  ? -11.756 25.723  21.305  1 38.148 ? 79  PHE   B CA   1 ? 1 
ATOM   942  C C    . PHE   A 1 67  ? -12.994 26.298  21.988  1 40.662 ? 79  PHE   B C    1 ? 1 
ATOM   943  O O    . PHE   A 1 67  ? -12.912 26.926  23.024  1 40.112 ? 79  PHE   B O    1 ? 1 
ATOM   944  C CB   . PHE   A 1 67  ? -11.698 24.224  21.59   1 35.665 ? 79  PHE   B CB   1 ? 1 
ATOM   945  C CG   . PHE   A 1 67  ? -11.873 23.744  23.025  1 34.752 ? 79  PHE   B CG   1 ? 1 
ATOM   946  C CD1  . PHE   A 1 67  ? -10.844 23.825  23.948  1 38.146 ? 79  PHE   B CD1  1 ? 1 
ATOM   947  C CD2  . PHE   A 1 67  ? -13.052 23.157  23.438  1 32.159 ? 79  PHE   B CD2  1 ? 1 
ATOM   948  C CE1  . PHE   A 1 67  ? -11.013 23.361  25.24   1 32.343 ? 79  PHE   B CE1  1 ? 1 
ATOM   949  C CE2  . PHE   A 1 67  ? -13.215 22.662  24.722  1 34.397 ? 79  PHE   B CE2  1 ? 1 
ATOM   950  C CZ   . PHE   A 1 67  ? -12.216 22.825  25.653  1 32.701 ? 79  PHE   B CZ   1 ? 1 
ATOM   951  H H    . PHE   A 1 67  ? -10.573 26.748  22.662  1 42.695 ? 79  PHE   B H    1 c 1 
ATOM   952  H HA   . PHE   A 1 67  ? -11.826 25.869  20.324  1 40.773 ? 79  PHE   B HA   1 c 1 
ATOM   953  H HB2  . PHE   A 1 67  ? -12.386 23.789  21.038  1 35.643 ? 79  PHE   B HB2  1 c 1 
ATOM   954  H HB3  . PHE   A 1 67  ? -10.833 23.892  21.263  1 35.876 ? 79  PHE   B HB3  1 c 1 
ATOM   955  H HD1  . PHE   A 1 67  ? -10.026 24.223  23.697  1 37.154 ? 79  PHE   B HD1  1 c 1 
ATOM   956  H HD2  . PHE   A 1 67  ? -13.759 23.068  22.819  1 33.688 ? 79  PHE   B HD2  1 c 1 
ATOM   957  H HE1  . PHE   A 1 67  ? -10.309 23.454  25.862  1 33.633 ? 79  PHE   B HE1  1 c 1 
ATOM   958  H HE2  . PHE   A 1 67  ? -14.045 22.297  24.982  1 32.609 ? 79  PHE   B HE2  1 c 1 
ATOM   959  H HZ   . PHE   A 1 67  ? -12.315 22.485  26.528  1 31.816 ? 79  PHE   B HZ   1 c 1 
ATOM   960  N N    . SER   A 1 68  ? -14.177 26.043  21.398  1 40.266 ? 80  SER   B N    1 ? 1 
ATOM   961  C CA   . SER   A 1 68  ? -15.4   26.51   22.01   1 40.821 ? 80  SER   B CA   1 ? 1 
ATOM   962  C C    . SER   A 1 68  ? -16.004 25.277  22.697  1 35.908 ? 80  SER   B C    1 ? 1 
ATOM   963  O O    . SER   A 1 68  ? -16.166 24.258  22.047  1 35.675 ? 80  SER   B O    1 ? 1 
ATOM   964  C CB   . SER   A 1 68  ? -16.317 27.101  20.996  1 42.773 ? 80  SER   B CB   1 ? 1 
ATOM   965  O OG   . SER   A 1 68  ? -15.72  28.182  20.265  1 47.794 ? 80  SER   B OG   1 ? 1 
ATOM   966  H H    . SER   A 1 68  ? -14.214 25.577  20.613  1 40.428 ? 80  SER   B H    1 c 1 
ATOM   967  H HA   . SER   A 1 68  ? -15.184 27.192  22.691  1 40.902 ? 80  SER   B HA   1 c 1 
ATOM   968  H HB2  . SER   A 1 68  ? -16.589 26.404  20.371  1 42.954 ? 80  SER   B HB2  1 c 1 
ATOM   969  H HB3  . SER   A 1 68  ? -17.12  27.426  21.446  1 43.985 ? 80  SER   B HB3  1 c 1 
ATOM   970  H HG   . SER   A 1 68  ? -16.334 28.482  19.739  0 20     ? 80  SER   B HG   1 c 1 
ATOM   971  N N    . LEU   A 1 69  ? -16.34  25.391  23.964  1 35.368 ? 81  LEU   B N    1 ? 1 
ATOM   972  C CA   . LEU   A 1 69  ? -16.777 24.257  24.758  1 34.05  ? 81  LEU   B CA   1 ? 1 
ATOM   973  C C    . LEU   A 1 69  ? -18.166 23.793  24.311  1 40.357 ? 81  LEU   B C    1 ? 1 
ATOM   974  O O    . LEU   A 1 69  ? -19.075 24.609  24.102  1 39.628 ? 81  LEU   B O    1 ? 1 
ATOM   975  C CB   . LEU   A 1 69  ? -16.815 24.718  26.21   1 36.926 ? 81  LEU   B CB   1 ? 1 
ATOM   976  C CG   . LEU   A 1 69  ? -17.096 23.64   27.276  1 43.022 ? 81  LEU   B CG   1 ? 1 
ATOM   977  C CD1  . LEU   A 1 69  ? -15.879 22.864  27.575  1 39.98  ? 81  LEU   B CD1  1 ? 1 
ATOM   978  C CD2  . LEU   A 1 69  ? -17.551 24.109  28.654  1 46.317 ? 81  LEU   B CD2  1 ? 1 
ATOM   979  H H    . LEU   A 1 69  ? -16.303 26.214  24.361  1 36.746 ? 81  LEU   B H    1 c 1 
ATOM   980  H HA   . LEU   A 1 69  ? -16.124 23.519  24.655  1 34.107 ? 81  LEU   B HA   1 c 1 
ATOM   981  H HB2  . LEU   A 1 69  ? -15.949 25.139  26.419  1 37.958 ? 81  LEU   B HB2  1 c 1 
ATOM   982  H HB3  . LEU   A 1 69  ? -17.504 25.417  26.29   1 39.264 ? 81  LEU   B HB3  1 c 1 
ATOM   983  H HG   . LEU   A 1 69  ? -17.781 23.017  26.919  1 41.172 ? 81  LEU   B HG   1 c 1 
ATOM   984  H HD11 . LEU   A 1 69  ? -15.468 22.573  26.744  1 39.919 ? 81  LEU   B HD11 1 c 1 
ATOM   985  H HD12 . LEU   A 1 69  ? -16.11  22.086  28.109  1 39.317 ? 81  LEU   B HD12 1 c 1 
ATOM   986  H HD13 . LEU   A 1 69  ? -15.251 23.42   28.067  1 40.796 ? 81  LEU   B HD13 1 c 1 
ATOM   987  H HD21 . LEU   A 1 69  ? -18.492 24.344  28.621  1 46.467 ? 81  LEU   B HD21 1 c 1 
ATOM   988  H HD22 . LEU   A 1 69  ? -17.033 24.887  28.919  1 46.337 ? 81  LEU   B HD22 1 c 1 
ATOM   989  H HD23 . LEU   A 1 69  ? -17.421 23.398  29.304  1 44.154 ? 81  LEU   B HD23 1 c 1 
ATOM   990  N N    . GLY   A 1 70  ? -18.305 22.49   24.067  1 38.318 ? 82  GLY   B N    1 ? 1 
ATOM   991  C CA   . GLY   A 1 70  ? -19.595 21.925  23.648  1 37.459 ? 82  GLY   B CA   1 ? 1 
ATOM   992  C C    . GLY   A 1 70  ? -19.911 22.044  22.162  1 45.552 ? 82  GLY   B C    1 ? 1 
ATOM   993  O O    . GLY   A 1 70  ? -21.032 21.752  21.8    1 53.194 ? 82  GLY   B O    1 ? 1 
ATOM   994  H H    . GLY   A 1 70  ? -17.584 21.936  24.151  1 36.802 ? 82  GLY   B H    1 c 1 
ATOM   995  H HA2  . GLY   A 1 70  ? -19.612 20.974  23.899  1 37.787 ? 82  GLY   B HA2  1 c 1 
ATOM   996  H HA3  . GLY   A 1 70  ? -20.311 22.372  24.16   1 40.007 ? 82  GLY   B HA3  1 c 1 
ATOM   997  N N    . LYS   A 1 71  ? -19.026 22.526  21.292  1 46.599 ? 83  LYS   B N    1 ? 1 
ATOM   998  C CA   . LYS   A 1 71  ? -19.407 22.879  19.931  1 47.99  ? 83  LYS   B CA   1 ? 1 
ATOM   999  C C    . LYS   A 1 71  ? -19.008 21.747  18.951  1 45.605 ? 83  LYS   B C    1 ? 1 
ATOM   1000 O O    . LYS   A 1 71  ? -18.928 21.927  17.707  1 50.545 ? 83  LYS   B O    1 ? 1 
ATOM   1001 C CB   . LYS   A 1 71  ? -18.916 24.313  19.629  1 52.293 ? 83  LYS   B CB   1 ? 1 
ATOM   1002 H H    . LYS   A 1 71  ? -18.154 22.63   21.547  1 45.665 ? 83  LYS   B H    1 c 1 
ATOM   1003 H HA   . LYS   A 1 71  ? -20.396 22.936  19.907  1 49.171 ? 83  LYS   B HA   1 c 1 
ATOM   1004 H HB2  . LYS   A 1 71  ? -17.994 24.339  19.663  0 20     ? 83  LYS   B HB2  1 c 1 
ATOM   1005 H HB3  . LYS   A 1 71  ? -19.77  24.875  19.551  0 20     ? 83  LYS   B HB3  1 c 1 
ATOM   1006 N N    . GLY   A 1 72  ? -18.722 20.595  19.538  1 47.088 ? 84  GLY   B N    1 ? 1 
ATOM   1007 C CA   . GLY   A 1 72  ? -18.252 19.402  18.855  1 51.483 ? 84  GLY   B CA   1 ? 1 
ATOM   1008 C C    . GLY   A 1 72  ? -16.865 19.53   18.248  1 47.877 ? 84  GLY   B C    1 ? 1 
ATOM   1009 O O    . GLY   A 1 72  ? -16.55  18.798  17.301  1 53.9   ? 84  GLY   B O    1 ? 1 
ATOM   1010 H H    . GLY   A 1 72  ? -18.832 20.538  20.442  1 46.303 ? 84  GLY   B H    1 c 1 
ATOM   1011 H HA2  . GLY   A 1 72  ? -18.252 18.654  19.498  1 47.866 ? 84  GLY   B HA2  1 c 1 
ATOM   1012 H HA3  . GLY   A 1 72  ? -18.894 19.177  18.141  1 50.316 ? 84  GLY   B HA3  1 c 1 
ATOM   1013 N N    . GLN   A 1 73  ? -16.025 20.435  18.783  1 45.432 ? 85  GLN   B N    1 ? 1 
ATOM   1014 C CA   . GLN   A 1 73  ? -14.709 20.68   18.202  1 43.93  ? 85  GLN   B CA   1 ? 1 
ATOM   1015 C C    . GLN   A 1 73  ? -13.678 19.782  18.866  1 39.891 ? 85  GLN   B C    1 ? 1 
ATOM   1016 O O    . GLN   A 1 73  ? -12.645 19.522  18.257  1 37.649 ? 85  GLN   B O    1 ? 1 
ATOM   1017 C CB   . GLN   A 1 73  ? -14.262 22.138  18.253  1 47.317 ? 85  GLN   B CB   1 ? 1 
ATOM   1018 C CG   . GLN   A 1 73  ? -15.33  23.068  17.688  1 52.961 ? 85  GLN   B CG   1 ? 1 
ATOM   1019 C CD   . GLN   A 1 73  ? -15.231 24.505  18.151  1 57.388 ? 85  GLN   B CD   1 ? 1 
ATOM   1020 O OE1  . GLN   A 1 73  ? -14.24  24.932  18.747  1 47.053 ? 85  GLN   B OE1  1 ? 1 
ATOM   1021 N NE2  . GLN   A 1 73  ? -16.277 25.265  17.846  1 57.274 ? 85  GLN   B NE2  1 ? 1 
ATOM   1022 H H    . GLN   A 1 73  ? -16.277 20.911  19.521  1 45.238 ? 85  GLN   B H    1 c 1 
ATOM   1023 H HA   . GLN   A 1 73  ? -14.751 20.43   17.244  1 45.261 ? 85  GLN   B HA   1 c 1 
ATOM   1024 H HB2  . GLN   A 1 73  ? -14.074 22.384  19.183  1 46.868 ? 85  GLN   B HB2  1 c 1 
ATOM   1025 H HB3  . GLN   A 1 73  ? -13.436 22.241  17.737  1 48.419 ? 85  GLN   B HB3  1 c 1 
ATOM   1026 H HG2  . GLN   A 1 73  ? -15.276 23.056  16.709  1 54.05  ? 85  GLN   B HG2  1 c 1 
ATOM   1027 H HG3  . GLN   A 1 73  ? -16.216 22.728  17.937  1 52.196 ? 85  GLN   B HG3  1 c 1 
ATOM   1028 H HE21 . GLN   A 1 73  ? -16.294 26.115  18.099  1 58.784 ? 85  GLN   B HE21 1 c 1 
ATOM   1029 H HE22 . GLN   A 1 73  ? -16.953 24.927  17.383  1 58.112 ? 85  GLN   B HE22 1 c 1 
ATOM   1030 N N    . VAL   A 1 74  ? -14.015 19.236  20.044  1 31.779 ? 86  VAL   B N    1 ? 1 
ATOM   1031 C CA   . VAL   A 1 74  ? -13.133 18.329  20.734  1 31.49  ? 86  VAL   B CA   1 ? 1 
ATOM   1032 C C    . VAL   A 1 74  ? -13.955 17.135  21.178  1 29.537 ? 86  VAL   B C    1 ? 1 
ATOM   1033 O O    . VAL   A 1 74  ? -15.179 17.169  21.105  1 29.61  ? 86  VAL   B O    1 ? 1 
ATOM   1034 C CB   . VAL   A 1 74  ? -12.503 19.035  21.935  1 29.273 ? 86  VAL   B CB   1 ? 1 
ATOM   1035 C CG1  . VAL   A 1 74  ? -11.478 20.099  21.519  1 32.507 ? 86  VAL   B CG1  1 ? 1 
ATOM   1036 C CG2  . VAL   A 1 74  ? -13.586 19.547  22.887  1 33.698 ? 86  VAL   B CG2  1 ? 1 
ATOM   1037 H H    . VAL   A 1 74  ? -14.822 19.436  20.422  1 33.512 ? 86  VAL   B H    1 c 1 
ATOM   1038 H HA   . VAL   A 1 74  ? -12.43  18.031  20.126  1 31.252 ? 86  VAL   B HA   1 c 1 
ATOM   1039 H HB   . VAL   A 1 74  ? -12.001 18.346  22.431  1 29.75  ? 86  VAL   B HB   1 c 1 
ATOM   1040 H HG11 . VAL   A 1 74  ? -11.919 20.787  20.993  1 33.203 ? 86  VAL   B HG11 1 c 1 
ATOM   1041 H HG12 . VAL   A 1 74  ? -10.778 19.685  20.987  1 32.288 ? 86  VAL   B HG12 1 c 1 
ATOM   1042 H HG13 . VAL   A 1 74  ? -11.086 20.501  22.312  1 31.855 ? 86  VAL   B HG13 1 c 1 
ATOM   1043 H HG21 . VAL   A 1 74  ? -13.168 19.918  23.682  1 31.992 ? 86  VAL   B HG21 1 c 1 
ATOM   1044 H HG22 . VAL   A 1 74  ? -14.171 18.815  23.144  1 31.334 ? 86  VAL   B HG22 1 c 1 
ATOM   1045 H HG23 . VAL   A 1 74  ? -14.108 20.238  22.447  1 33.278 ? 86  VAL   B HG23 1 c 1 
ATOM   1046 N N    . ILE   A 1 75  ? -13.261 16.086  21.607  1 26.496 ? 87  ILE   B N    1 ? 1 
ATOM   1047 C CA   . ILE   A 1 75  ? -13.894 14.868  22.113  1 25.253 ? 87  ILE   B CA   1 ? 1 
ATOM   1048 C C    . ILE   A 1 75  ? -14.768 15.17   23.331  1 25.175 ? 87  ILE   B C    1 ? 1 
ATOM   1049 O O    . ILE   A 1 75  ? -14.553 16.18   23.995  1 24.978 ? 87  ILE   B O    1 ? 1 
ATOM   1050 C CB   . ILE   A 1 75  ? -12.874 13.776  22.407  1 27.049 ? 87  ILE   B CB   1 ? 1 
ATOM   1051 C CG1  . ILE   A 1 75  ? -11.829 14.246  23.425  1 24.856 ? 87  ILE   B CG1  1 ? 1 
ATOM   1052 C CG2  . ILE   A 1 75  ? -12.181 13.235  21.117  1 27.036 ? 87  ILE   B CG2  1 ? 1 
ATOM   1053 C CD1  . ILE   A 1 75  ? -10.9   13.203  23.92   1 25.383 ? 87  ILE   B CD1  1 ? 1 
ATOM   1054 H H    . ILE   A 1 75  ? -12.349 16.123  21.571  1 27.08  ? 87  ILE   B H    1 c 1 
ATOM   1055 H HA   . ILE   A 1 75  ? -14.48  14.534  21.406  1 26.291 ? 87  ILE   B HA   1 c 1 
ATOM   1056 H HB   . ILE   A 1 75  ? -13.358 13.032  22.814  1 25.436 ? 87  ILE   B HB   1 c 1 
ATOM   1057 H HG12 . ILE   A 1 75  ? -11.297 14.959  23.016  1 26.198 ? 87  ILE   B HG12 1 c 1 
ATOM   1058 H HG13 . ILE   A 1 75  ? -12.295 14.632  24.194  1 25.051 ? 87  ILE   B HG13 1 c 1 
ATOM   1059 H HG21 . ILE   A 1 75  ? -11.699 12.417  21.323  1 27.02  ? 87  ILE   B HG21 1 c 1 
ATOM   1060 H HG22 . ILE   A 1 75  ? -11.557 13.9    20.779  1 28.013 ? 87  ILE   B HG22 1 c 1 
ATOM   1061 H HG23 . ILE   A 1 75  ? -12.852 13.05   20.439  1 27.824 ? 87  ILE   B HG23 1 c 1 
ATOM   1062 H HD11 . ILE   A 1 75  ? -11.408 12.414  24.189  1 24.57  ? 87  ILE   B HD11 1 c 1 
ATOM   1063 H HD12 . ILE   A 1 75  ? -10.404 13.545  24.688  1 24.888 ? 87  ILE   B HD12 1 c 1 
ATOM   1064 H HD13 . ILE   A 1 75  ? -10.273 12.958  23.213  1 25.72  ? 87  ILE   B HD13 1 c 1 
ATOM   1065 N N    . LYS   A 1 76  ? -15.801 14.306  23.496  1 22.605 ? 88  LYS   B N    1 ? 1 
ATOM   1066 C CA   . LYS   A 1 76  ? -16.75  14.463  24.585  1 22.6   ? 88  LYS   B CA   1 ? 1 
ATOM   1067 C C    . LYS   A 1 76  ? -16.032 14.619  25.922  1 22.454 ? 88  LYS   B C    1 ? 1 
ATOM   1068 O O    . LYS   A 1 76  ? -16.469 15.434  26.771  1 23.698 ? 88  LYS   B O    1 ? 1 
ATOM   1069 C CB   . LYS   A 1 76  ? -17.731 13.262  24.546  1 25.609 ? 88  LYS   B CB   1 ? 1 
ATOM   1070 H H    . LYS   A 1 76  ? -15.905 13.61   22.912  1 23.361 ? 88  LYS   B H    1 c 1 
ATOM   1071 H HA   . LYS   A 1 76  ? -17.271 15.289  24.417  1 23.932 ? 88  LYS   B HA   1 c 1 
ATOM   1072 H HB2  . LYS   A 1 76  ? -17.223 12.443  24.547  0 20     ? 88  LYS   B HB2  1 c 1 
ATOM   1073 H HB3  . LYS   A 1 76  ? -18.654 13.629  24.571  0 20     ? 88  LYS   B HB3  1 c 1 
ATOM   1074 N N    . ALA   A 1 77  ? -14.952 13.856  26.153  1 22.297 ? 89  ALA   B N    1 ? 1 
ATOM   1075 C CA   . ALA   A 1 77  ? -14.285 13.881  27.429  1 24.033 ? 89  ALA   B CA   1 ? 1 
ATOM   1076 C C    . ALA   A 1 77  ? -13.757 15.271  27.775  1 23.936 ? 89  ALA   B C    1 ? 1 
ATOM   1077 O O    . ALA   A 1 77  ? -13.69  15.646  28.961  1 24.759 ? 89  ALA   B O    1 ? 1 
ATOM   1078 C CB   . ALA   A 1 77  ? -13.138 12.928  27.461  1 23.295 ? 89  ALA   B CB   1 ? 1 
ATOM   1079 H H    . ALA   A 1 77  ? -14.636 13.302  25.498  1 22.658 ? 89  ALA   B H    1 c 1 
ATOM   1080 H HA   . ALA   A 1 77  ? -14.945 13.618  28.129  1 23.283 ? 89  ALA   B HA   1 c 1 
ATOM   1081 H HB1  . ALA   A 1 77  ? -13.472 12.017  27.415  1 23.214 ? 89  ALA   B HB1  1 c 1 
ATOM   1082 H HB2  . ALA   A 1 77  ? -12.553 13.095  26.703  1 23.71  ? 89  ALA   B HB2  1 c 1 
ATOM   1083 H HB3  . ALA   A 1 77  ? -12.637 13.045  28.286  1 23.278 ? 89  ALA   B HB3  1 c 1 
ATOM   1084 N N    . TRP   A 1 78  ? -13.371 16.044  26.767  1 24.746 ? 90  TRP   B N    1 ? 1 
ATOM   1085 C CA   . TRP   A 1 78  ? -12.845 17.391  27.024  1 21.899 ? 90  TRP   B CA   1 ? 1 
ATOM   1086 C C    . TRP   A 1 78  ? -13.984 18.316  27.4    1 24.13  ? 90  TRP   B C    1 ? 1 
ATOM   1087 O O    . TRP   A 1 78  ? -13.84  19.196  28.253  1 27.905 ? 90  TRP   B O    1 ? 1 
ATOM   1088 C CB   . TRP   A 1 78  ? -12.074 17.922  25.82   1 23.969 ? 90  TRP   B CB   1 ? 1 
ATOM   1089 C CG   . TRP   A 1 78  ? -10.606 17.6    25.874  1 22.726 ? 90  TRP   B CG   1 ? 1 
ATOM   1090 C CD1  . TRP   A 1 78  ? -9.973  16.406  26.161  1 27.136 ? 90  TRP   B CD1  1 ? 1 
ATOM   1091 C CD2  . TRP   A 1 78  ? -9.554  18.592  25.698  1 25.873 ? 90  TRP   B CD2  1 ? 1 
ATOM   1092 N NE1  . TRP   A 1 78  ? -8.591  16.589  26.118  1 27.689 ? 90  TRP   B NE1  1 ? 1 
ATOM   1093 C CE2  . TRP   A 1 78  ? -8.329  17.9    25.762  1 25.35  ? 90  TRP   B CE2  1 ? 1 
ATOM   1094 C CE3  . TRP   A 1 78  ? -9.597  19.945  25.351  1 30.914 ? 90  TRP   B CE3  1 ? 1 
ATOM   1095 C CZ2  . TRP   A 1 78  ? -7.118  18.578  25.66   1 25.501 ? 90  TRP   B CZ2  1 ? 1 
ATOM   1096 C CZ3  . TRP   A 1 78  ? -8.398  20.618  25.196  1 33.418 ? 90  TRP   B CZ3  1 ? 1 
ATOM   1097 C CH2  . TRP   A 1 78  ? -7.161  19.911  25.354  1 29.381 ? 90  TRP   B CH2  1 ? 1 
ATOM   1098 H H    . TRP   A 1 78  ? -13.421 15.74   25.907  1 23.955 ? 90  TRP   B H    1 c 1 
ATOM   1099 H HA   . TRP   A 1 78  ? -12.217 17.338  27.794  1 22.852 ? 90  TRP   B HA   1 c 1 
ATOM   1100 H HB2  . TRP   A 1 78  ? -12.456 17.535  25.004  1 23.511 ? 90  TRP   B HB2  1 c 1 
ATOM   1101 H HB3  . TRP   A 1 78  ? -12.185 18.895  25.78   1 24.304 ? 90  TRP   B HB3  1 c 1 
ATOM   1102 H HD1  . TRP   A 1 78  ? -10.399 15.584  26.341  1 25.038 ? 90  TRP   B HD1  1 c 1 
ATOM   1103 H HE1  . TRP   A 1 78  ? -7.997  15.969  26.241  1 26.663 ? 90  TRP   B HE1  1 c 1 
ATOM   1104 H HE3  . TRP   A 1 78  ? -10.42  20.393  25.26   1 30.361 ? 90  TRP   B HE3  1 c 1 
ATOM   1105 H HZ2  . TRP   A 1 78  ? -6.298  18.124  25.748  1 26.66  ? 90  TRP   B HZ2  1 c 1 
ATOM   1106 H HZ3  . TRP   A 1 78  ? -8.395  21.538  24.992  1 33.236 ? 90  TRP   B HZ3  1 c 1 
ATOM   1107 H HH2  . TRP   A 1 78  ? -6.352  20.378  25.243  1 30.739 ? 90  TRP   B HH2  1 c 1 
ATOM   1108 N N    . ASP   A 1 79  ? -15.098 18.199  26.691  1 22.595 ? 91  ASP   B N    1 ? 1 
ATOM   1109 C CA   . ASP   A 1 79  ? -16.246 19.031  26.998  1 25.651 ? 91  ASP   B CA   1 ? 1 
ATOM   1110 C C    . ASP   A 1 79  ? -16.658 18.803  28.444  1 27.659 ? 91  ASP   B C    1 ? 1 
ATOM   1111 O O    . ASP   A 1 79  ? -17.047 19.734  29.167  1 30.049 ? 91  ASP   B O    1 ? 1 
ATOM   1112 C CB   . ASP   A 1 79  ? -17.407 18.823  26.03   1 27.758 ? 91  ASP   B CB   1 ? 1 
ATOM   1113 C CG   . ASP   A 1 79  ? -17.258 19.477  24.665  1 30.805 ? 91  ASP   B CG   1 ? 1 
ATOM   1114 O OD1  . ASP   A 1 79  ? -16.56  20.469  24.613  1 32.252 ? 91  ASP   B OD1  1 ? 1 
ATOM   1115 O OD2  . ASP   A 1 79  ? -17.975 19.062  23.764  1 33.555 ? 91  ASP   B OD2  1 ? 1 
ATOM   1116 H H    . ASP   A 1 79  ? -15.149 17.601  26.001  1 23.298 ? 91  ASP   B H    1 c 1 
ATOM   1117 H HA   . ASP   A 1 79  ? -15.967 19.97   26.911  1 26.801 ? 91  ASP   B HA   1 c 1 
ATOM   1118 H HB2  . ASP   A 1 79  ? -17.529 17.861  25.892  1 27.086 ? 91  ASP   B HB2  1 c 1 
ATOM   1119 H HB3  . ASP   A 1 79  ? -18.226 19.172  26.442  1 28.501 ? 91  ASP   B HB3  1 c 1 
ATOM   1120 N N    . ILE   A 1 80  ? -16.681 17.551  28.837  1 21.939 ? 92  ILE   B N    1 ? 1 
ATOM   1121 C CA   . ILE   A 1 80  ? -17.017 17.146  30.213  1 21.614 ? 92  ILE   B CA   1 ? 1 
ATOM   1122 C C    . ILE   A 1 80  ? -15.96  17.584  31.231  1 23.98  ? 92  ILE   B C    1 ? 1 
ATOM   1123 O O    . ILE   A 1 80  ? -16.266 18.251  32.219  1 25.507 ? 92  ILE   B O    1 ? 1 
ATOM   1124 C CB   . ILE   A 1 80  ? -17.282 15.638  30.304  1 23.914 ? 92  ILE   B CB   1 ? 1 
ATOM   1125 C CG1  . ILE   A 1 80  ? -18.53  15.166  29.522  1 23.509 ? 92  ILE   B CG1  1 ? 1 
ATOM   1126 C CG2  . ILE   A 1 80  ? -17.286 15.129  31.796  1 25.127 ? 92  ILE   B CG2  1 ? 1 
ATOM   1127 C CD1  . ILE   A 1 80  ? -18.468 13.67   29.22   1 25.027 ? 92  ILE   B CD1  1 ? 1 
ATOM   1128 H H    . ILE   A 1 80  ? -16.488 16.896  28.229  1 22.437 ? 92  ILE   B H    1 c 1 
ATOM   1129 H HA   . ILE   A 1 80  ? -17.851 17.597  30.449  1 23.508 ? 92  ILE   B HA   1 c 1 
ATOM   1130 H HB   . ILE   A 1 80  ? -16.517 15.206  29.874  1 22.702 ? 92  ILE   B HB   1 c 1 
ATOM   1131 H HG12 . ILE   A 1 80  ? -19.332 15.356  30.049  1 24.903 ? 92  ILE   B HG12 1 c 1 
ATOM   1132 H HG13 . ILE   A 1 80  ? -18.59  15.663  28.68   1 24.537 ? 92  ILE   B HG13 1 c 1 
ATOM   1133 H HG21 . ILE   A 1 80  ? -17.732 14.267  31.847  1 24.625 ? 92  ILE   B HG21 1 c 1 
ATOM   1134 H HG22 . ILE   A 1 80  ? -17.757 15.767  32.358  1 25.513 ? 92  ILE   B HG22 1 c 1 
ATOM   1135 H HG23 . ILE   A 1 80  ? -16.371 15.035  32.112  1 24.318 ? 92  ILE   B HG23 1 c 1 
ATOM   1136 H HD11 . ILE   A 1 80  ? -17.623 13.459  28.778  1 23.77  ? 92  ILE   B HD11 1 c 1 
ATOM   1137 H HD12 . ILE   A 1 80  ? -19.209 13.427  28.633  1 24.821 ? 92  ILE   B HD12 1 c 1 
ATOM   1138 H HD13 . ILE   A 1 80  ? -18.534 13.161  30.05   1 24.235 ? 92  ILE   B HD13 1 c 1 
ATOM   1139 N N    . GLY   A 1 81  ? -14.714 17.248  30.953  1 22.785 ? 93  GLY   B N    1 ? 1 
ATOM   1140 C CA   . GLY   A 1 81  ? -13.638 17.565  31.893  1 23.249 ? 93  GLY   B CA   1 ? 1 
ATOM   1141 C C    . GLY   A 1 81  ? -13.262 19.004  32.025  1 21.505 ? 93  GLY   B C    1 ? 1 
ATOM   1142 O O    . GLY   A 1 81  ? -13.09  19.443  33.149  1 25.155 ? 93  GLY   B O    1 ? 1 
ATOM   1143 H H    . GLY   A 1 81  ? -14.515 16.814  30.174  1 22.538 ? 93  GLY   B H    1 c 1 
ATOM   1144 H HA2  . GLY   A 1 81  ? -13.9   17.229  32.782  1 22.512 ? 93  GLY   B HA2  1 c 1 
ATOM   1145 H HA3  . GLY   A 1 81  ? -12.837 17.059  31.619  1 22.006 ? 93  GLY   B HA3  1 c 1 
ATOM   1146 N N    . VAL   A 1 82  ? -13.162 19.779  30.92   1 27.201 ? 94  VAL   B N    1 ? 1 
ATOM   1147 C CA   . VAL   A 1 82  ? -12.741 21.15   31.022  1 25.641 ? 94  VAL   B CA   1 ? 1 
ATOM   1148 C C    . VAL   A 1 82  ? -13.866 21.95   31.695  1 26.612 ? 94  VAL   B C    1 ? 1 
ATOM   1149 O O    . VAL   A 1 82  ? -13.565 22.897  32.42   1 27.804 ? 94  VAL   B O    1 ? 1 
ATOM   1150 C CB   . VAL   A 1 82  ? -12.303 21.698  29.642  1 30.247 ? 94  VAL   B CB   1 ? 1 
ATOM   1151 C CG1  . VAL   A 1 82  ? -11.944 23.178  29.751  1 32.172 ? 94  VAL   B CG1  1 ? 1 
ATOM   1152 C CG2  . VAL   A 1 82  ? -11.114 20.921  29.098  1 28.333 ? 94  VAL   B CG2  1 ? 1 
ATOM   1153 H H    . VAL   A 1 82  ? -13.365 19.432  30.098  1 24.842 ? 94  VAL   B H    1 c 1 
ATOM   1154 H HA   . VAL   A 1 82  ? -11.962 21.178  31.612  1 26.944 ? 94  VAL   B HA   1 c 1 
ATOM   1155 H HB   . VAL   A 1 82  ? -13.063 21.598  29.023  1 29.173 ? 94  VAL   B HB   1 c 1 
ATOM   1156 H HG11 . VAL   A 1 82  ? -11.466 23.336  30.583  1 32.386 ? 94  VAL   B HG11 1 c 1 
ATOM   1157 H HG12 . VAL   A 1 82  ? -12.756 23.712  29.739  1 32.861 ? 94  VAL   B HG12 1 c 1 
ATOM   1158 H HG13 . VAL   A 1 82  ? -11.38  23.432  29.002  1 32.641 ? 94  VAL   B HG13 1 c 1 
ATOM   1159 H HG21 . VAL   A 1 82  ? -10.834 21.306  28.25   1 29.339 ? 94  VAL   B HG21 1 c 1 
ATOM   1160 H HG22 . VAL   A 1 82  ? -11.366 19.992  28.962  1 27.653 ? 94  VAL   B HG22 1 c 1 
ATOM   1161 H HG23 . VAL   A 1 82  ? -10.378 20.966  29.731  1 28.851 ? 94  VAL   B HG23 1 c 1 
ATOM   1162 N N    . ALA   A 1 83  ? -15.146 21.549  31.527  1 24.198 ? 95  ALA   B N    1 ? 1 
ATOM   1163 C CA   . ALA   A 1 83  ? -16.228 22.251  32.22   1 29.061 ? 95  ALA   B CA   1 ? 1 
ATOM   1164 C C    . ALA   A 1 83  ? -16.084 22.151  33.73   1 26.35  ? 95  ALA   B C    1 ? 1 
ATOM   1165 O O    . ALA   A 1 83  ? -16.693 22.977  34.443  1 29.724 ? 95  ALA   B O    1 ? 1 
ATOM   1166 C CB   . ALA   A 1 83  ? -17.549 21.641  31.809  1 28.225 ? 95  ALA   B CB   1 ? 1 
ATOM   1167 H H    . ALA   A 1 83  ? -15.345 20.846  30.978  1 24.642 ? 95  ALA   B H    1 c 1 
ATOM   1168 H HA   . ALA   A 1 83  ? -16.205 23.213  31.958  1 28.871 ? 95  ALA   B HA   1 c 1 
ATOM   1169 H HB1  . ALA   A 1 83  ? -17.66  21.718  30.847  1 28.542 ? 95  ALA   B HB1  1 c 1 
ATOM   1170 H HB2  . ALA   A 1 83  ? -17.567 20.702  32.06   1 27.418 ? 95  ALA   B HB2  1 c 1 
ATOM   1171 H HB3  . ALA   A 1 83  ? -18.276 22.106  32.254  1 29.61  ? 95  ALA   B HB3  1 c 1 
ATOM   1172 N N    . THR   A 1 84  ? -15.279 21.185  34.26   1 28.217 ? 96  THR   B N    1 ? 1 
ATOM   1173 C CA   . THR   A 1 84  ? -15.092 21.06   35.705  1 30.132 ? 96  THR   B CA   1 ? 1 
ATOM   1174 C C    . THR   A 1 84  ? -13.882 21.853  36.235  1 32.024 ? 96  THR   B C    1 ? 1 
ATOM   1175 O O    . THR   A 1 84  ? -13.716 22.003  37.461  1 33.598 ? 96  THR   B O    1 ? 1 
ATOM   1176 C CB   . THR   A 1 84  ? -14.927 19.645  36.178  1 28.105 ? 96  THR   B CB   1 ? 1 
ATOM   1177 O OG1  . THR   A 1 84  ? -13.615 19.181  35.753  1 27.572 ? 96  THR   B OG1  1 ? 1 
ATOM   1178 C CG2  . THR   A 1 84  ? -15.961 18.658  35.643  1 31.566 ? 96  THR   B CG2  1 ? 1 
ATOM   1179 H H    . THR   A 1 84  ? -14.863 20.587  33.71   1 26.618 ? 96  THR   B H    1 c 1 
ATOM   1180 H HA   . THR   A 1 84  ? -15.896 21.42   36.137  1 30.841 ? 96  THR   B HA   1 c 1 
ATOM   1181 H HB   . THR   A 1 84  ? -14.968 19.63   37.164  1 29.773 ? 96  THR   B HB   1 c 1 
ATOM   1182 H HG1  . THR   A 1 84  ? -13.553 19.226  34.881  0 20     ? 96  THR   B HG1  1 c 1 
ATOM   1183 H HG21 . THR   A 1 84  ? -15.858 17.803  36.094  1 29.725 ? 96  THR   B HG21 1 c 1 
ATOM   1184 H HG22 . THR   A 1 84  ? -15.83  18.537  34.689  1 29.474 ? 96  THR   B HG22 1 c 1 
ATOM   1185 H HG23 . THR   A 1 84  ? -16.855 19.003  35.805  1 31.047 ? 96  THR   B HG23 1 c 1 
ATOM   1186 N N    . MET   A 1 85  ? -13.098 22.459  35.366  1 31.547 ? 97  MET   B N    1 ? 1 
ATOM   1187 C CA   . MET   A 1 85  ? -11.82  23.11   35.744  1 31.515 ? 97  MET   B CA   1 ? 1 
ATOM   1188 C C    . MET   A 1 85  ? -11.922 24.6    36.025  1 35.296 ? 97  MET   B C    1 ? 1 
ATOM   1189 O O    . MET   A 1 85  ? -12.749 25.288  35.431  1 33.425 ? 97  MET   B O    1 ? 1 
ATOM   1190 C CB   . MET   A 1 85  ? -10.806 22.904  34.615  1 32.52  ? 97  MET   B CB   1 ? 1 
ATOM   1191 C CG   . MET   A 1 85  ? -10.446 21.398  34.411  1 32.131 ? 97  MET   B CG   1 ? 1 
ATOM   1192 S SD   . MET   A 1 85  ? -9.234  21.256  33.075  1 30.529 ? 97  MET   B SD   1 ? 1 
ATOM   1193 C CE   . MET   A 1 85  ? -7.736  21.9    33.865  1 29.794 ? 97  MET   B CE   1 ? 1 
ATOM   1194 H H    . MET   A 1 85  ? -13.349 22.484  34.488  1 31.022 ? 97  MET   B H    1 c 1 
ATOM   1195 H HA   . MET   A 1 85  ? -11.483 22.665  36.562  1 32.261 ? 97  MET   B HA   1 c 1 
ATOM   1196 H HB2  . MET   A 1 85  ? -11.179 23.264  33.782  1 32.512 ? 97  MET   B HB2  1 c 1 
ATOM   1197 H HB3  . MET   A 1 85  ? -9.99   23.408  34.824  1 33.356 ? 97  MET   B HB3  1 c 1 
ATOM   1198 H HG2  . MET   A 1 85  ? -10.07  21.029  35.232  1 31.56  ? 97  MET   B HG2  1 c 1 
ATOM   1199 H HG3  . MET   A 1 85  ? -11.247 20.891  34.18   1 30.666 ? 97  MET   B HG3  1 c 1 
ATOM   1200 H HE1  . MET   A 1 85  ? -7.007  21.909  33.217  1 30.629 ? 97  MET   B HE1  1 c 1 
ATOM   1201 H HE2  . MET   A 1 85  ? -7.898  22.807  34.182  1 31.524 ? 97  MET   B HE2  1 c 1 
ATOM   1202 H HE3  . MET   A 1 85  ? -7.495  21.329  34.618  1 30.135 ? 97  MET   B HE3  1 c 1 
ATOM   1203 N N    . LYS   A 1 86  ? -11.087 25.089  36.975  1 37.077 ? 98  LYS   B N    1 ? 1 
ATOM   1204 C CA   . LYS   A 1 86  ? -10.978 26.51   37.276  1 41.876 ? 98  LYS   B CA   1 ? 1 
ATOM   1205 C C    . LYS   A 1 86  ? -9.829  27.124  36.469  1 40.585 ? 98  LYS   B C    1 ? 1 
ATOM   1206 O O    . LYS   A 1 86  ? -8.855  26.47   36.109  1 38.189 ? 98  LYS   B O    1 ? 1 
ATOM   1207 C CB   . LYS   A 1 86  ? -10.843 26.688  38.804  1 38.44  ? 98  LYS   B CB   1 ? 1 
ATOM   1208 H H    . LYS   A 1 86  ? -10.566 24.504  37.445  1 36.951 ? 98  LYS   B H    1 c 1 
ATOM   1209 H HA   . LYS   A 1 86  ? -11.821 26.951  36.996  1 40.546 ? 98  LYS   B HA   1 c 1 
ATOM   1210 H HB2  . LYS   A 1 86  ? -9.91   26.727  39.034  0 20     ? 98  LYS   B HB2  1 c 1 
ATOM   1211 H HB3  . LYS   A 1 86  ? -11.763 26.744  39.178  0 20     ? 98  LYS   B HB3  1 c 1 
ATOM   1212 N N    . LYS   A 1 87  ? -9.877  28.432  36.198  1 40.084 ? 99  LYS   B N    1 ? 1 
ATOM   1213 C CA   . LYS   A 1 87  ? -8.728  29.11   35.593  1 43.405 ? 99  LYS   B CA   1 ? 1 
ATOM   1214 C C    . LYS   A 1 87  ? -7.447  28.914  36.42   1 46.466 ? 99  LYS   B C    1 ? 1 
ATOM   1215 O O    . LYS   A 1 87  ? -7.483  29.06   37.638  1 51.276 ? 99  LYS   B O    1 ? 1 
ATOM   1216 C CB   . LYS   A 1 87  ? -8.93   30.623  35.488  1 47.357 ? 99  LYS   B CB   1 ? 1 
ATOM   1217 C CG   . LYS   A 1 87  ? -7.826  31.373  34.724  1 49.899 ? 99  LYS   B CG   1 ? 1 
ATOM   1218 C CD   . LYS   A 1 87  ? -8.189  32.837  34.446  1 57.039 ? 99  LYS   B CD   1 ? 1 
ATOM   1219 C CE   . LYS   A 1 87  ? -7.122  33.68   33.79   1 61.361 ? 99  LYS   B CE   1 ? 1 
ATOM   1220 N NZ   . LYS   A 1 87  ? -7.53   35.094  33.707  1 70.831 ? 99  LYS   B NZ   1 ? 1 
ATOM   1221 H H    . LYS   A 1 87  ? -10.63  28.912  36.39   1 42.068 ? 99  LYS   B H    1 c 1 
ATOM   1222 H HA   . LYS   A 1 87  ? -8.588  28.738  34.685  1 42.489 ? 99  LYS   B HA   1 c 1 
ATOM   1223 H HB2  . LYS   A 1 87  ? -9.786  30.794  35.041  1 47.196 ? 99  LYS   B HB2  1 c 1 
ATOM   1224 H HB3  . LYS   A 1 87  ? -8.987  30.996  36.393  1 48.575 ? 99  LYS   B HB3  1 c 1 
ATOM   1225 H HG2  . LYS   A 1 87  ? -6.998  31.342  35.251  1 51.19  ? 99  LYS   B HG2  1 c 1 
ATOM   1226 H HG3  . LYS   A 1 87  ? -7.664  30.912  33.873  1 49.365 ? 99  LYS   B HG3  1 c 1 
ATOM   1227 H HD2  . LYS   A 1 87  ? -8.989  32.85   33.877  1 55.997 ? 99  LYS   B HD2  1 c 1 
ATOM   1228 H HD3  . LYS   A 1 87  ? -8.437  33.257  35.298  1 57.76  ? 99  LYS   B HD3  1 c 1 
ATOM   1229 H HE2  . LYS   A 1 87  ? -6.294  33.616  34.3    1 62.749 ? 99  LYS   B HE2  1 c 1 
ATOM   1230 H HE3  . LYS   A 1 87  ? -6.952  33.351  32.89   1 61.291 ? 99  LYS   B HE3  1 c 1 
ATOM   1231 H HZ1  . LYS   A 1 87  ? -7.718  35.408  34.536  1 69.761 ? 99  LYS   B HZ1  1 c 1 
ATOM   1232 H HZ2  . LYS   A 1 87  ? -8.268  35.17   33.186  1 68.519 ? 99  LYS   B HZ2  1 c 1 
ATOM   1233 H HZ3  . LYS   A 1 87  ? -6.86   35.586  33.347  1 70.409 ? 99  LYS   B HZ3  1 c 1 
ATOM   1234 N N    . GLY   A 1 88  ? -6.365  28.473  35.738  1 42.262 ? 100 GLY   B N    1 ? 1 
ATOM   1235 C CA   . GLY   A 1 88  ? -5.068  28.174  36.338  1 42.311 ? 100 GLY   B CA   1 ? 1 
ATOM   1236 C C    . GLY   A 1 88  ? -4.927  26.717  36.775  1 39.989 ? 100 GLY   B C    1 ? 1 
ATOM   1237 O O    . GLY   A 1 88  ? -3.862  26.319  37.219  1 42.639 ? 100 GLY   B O    1 ? 1 
ATOM   1238 H H    . GLY   A 1 88  ? -6.45   28.355  34.836  1 42.233 ? 100 GLY   B H    1 c 1 
ATOM   1239 H HA2  . GLY   A 1 88  ? -4.361  28.385  35.683  1 43.156 ? 100 GLY   B HA2  1 c 1 
ATOM   1240 H HA3  . GLY   A 1 88  ? -4.935  28.761  37.119  1 44.185 ? 100 GLY   B HA3  1 c 1 
ATOM   1241 N N    . GLU   A 1 89  ? -6.02   25.94   36.716  1 39.577 ? 101 GLU   B N    1 ? 1 
ATOM   1242 C CA   . GLU   A 1 89  ? -5.978  24.565  37.176  1 36.017 ? 101 GLU   B CA   1 ? 1 
ATOM   1243 C C    . GLU   A 1 89  ? -5.17   23.727  36.171  1 35.35  ? 101 GLU   B C    1 ? 1 
ATOM   1244 O O    . GLU   A 1 89  ? -5.192  23.925  34.945  1 34.508 ? 101 GLU   B O    1 ? 1 
ATOM   1245 C CB   . GLU   A 1 89  ? -7.42   24.092  37.342  1 36.312 ? 101 GLU   B CB   1 ? 1 
ATOM   1246 C CG   . GLU   A 1 89  ? -7.545  22.63   37.77   1 36.817 ? 101 GLU   B CG   1 ? 1 
ATOM   1247 C CD   . GLU   A 1 89  ? -8.959  22.17   37.917  1 35.011 ? 101 GLU   B CD   1 ? 1 
ATOM   1248 O OE1  . GLU   A 1 89  ? -9.729  22.976  38.539  1 33.789 ? 101 GLU   B OE1  1 ? 1 
ATOM   1249 O OE2  . GLU   A 1 89  ? -9.217  20.969  37.48   1 31.902 ? 101 GLU   B OE2  1 ? 1 
ATOM   1250 H H    . GLU   A 1 89  ? -6.802  26.271  36.377  1 38.553 ? 101 GLU   B H    1 c 1 
ATOM   1251 H HA   . GLU   A 1 89  ? -5.526  24.544  38.055  1 37.713 ? 101 GLU   B HA   1 c 1 
ATOM   1252 H HB2  . GLU   A 1 89  ? -7.864  24.664  38.003  1 37.41  ? 101 GLU   B HB2  1 c 1 
ATOM   1253 H HB3  . GLU   A 1 89  ? -7.887  24.202  36.489  1 35.699 ? 101 GLU   B HB3  1 c 1 
ATOM   1254 H HG2  . GLU   A 1 89  ? -7.1    22.061  37.107  1 35.219 ? 101 GLU   B HG2  1 c 1 
ATOM   1255 H HG3  . GLU   A 1 89  ? -7.085  22.506  38.628  1 36.922 ? 101 GLU   B HG3  1 c 1 
ATOM   1256 N N    . ILE   A 1 90  ? -4.409  22.765  36.687  1 35.529 ? 102 ILE   B N    1 ? 1 
ATOM   1257 C CA   . ILE   A 1 90  ? -3.857  21.704  35.865  1 32.81  ? 102 ILE   B CA   1 ? 1 
ATOM   1258 C C    . ILE   A 1 90  ? -4.499  20.409  36.354  1 31.023 ? 102 ILE   B C    1 ? 1 
ATOM   1259 O O    . ILE   A 1 90  ? -4.529  20.119  37.553  1 32.262 ? 102 ILE   B O    1 ? 1 
ATOM   1260 C CB   . ILE   A 1 90  ? -2.325  21.577  35.999  1 36.428 ? 102 ILE   B CB   1 ? 1 
ATOM   1261 C CG1  . ILE   A 1 90  ? -1.623  22.834  35.477  1 41.615 ? 102 ILE   B CG1  1 ? 1 
ATOM   1262 C CG2  . ILE   A 1 90  ? -1.874  20.326  35.241  1 39.285 ? 102 ILE   B CG2  1 ? 1 
ATOM   1263 C CD1  . ILE   A 1 90  ? -0.131  22.881  35.712  1 45.892 ? 102 ILE   B CD1  1 ? 1 
ATOM   1264 H H    . ILE   A 1 90  ? -4.224  22.77   37.582  1 35.823 ? 102 ILE   B H    1 c 1 
ATOM   1265 H HA   . ILE   A 1 90  ? -4.089  21.857  34.933  1 32.927 ? 102 ILE   B HA   1 c 1 
ATOM   1266 H HB   . ILE   A 1 90  ? -2.103  21.467  36.945  1 37.949 ? 102 ILE   B HB   1 c 1 
ATOM   1267 H HG12 . ILE   A 1 90  ? -1.789  22.903  34.516  1 40.723 ? 102 ILE   B HG12 1 c 1 
ATOM   1268 H HG13 . ILE   A 1 90  ? -2.029  23.616  35.904  1 41.977 ? 102 ILE   B HG13 1 c 1 
ATOM   1269 H HG21 . ILE   A 1 90  ? -0.919  20.372  35.068  1 39.325 ? 102 ILE   B HG21 1 c 1 
ATOM   1270 H HG22 . ILE   A 1 90  ? -2.35   20.267  34.395  1 36.995 ? 102 ILE   B HG22 1 c 1 
ATOM   1271 H HG23 . ILE   A 1 90  ? -2.064  19.534  35.772  1 37.272 ? 102 ILE   B HG23 1 c 1 
ATOM   1272 H HD11 . ILE   A 1 90  ? 0.058   22.702  36.652  1 45.812 ? 102 ILE   B HD11 1 c 1 
ATOM   1273 H HD12 . ILE   A 1 90  ? 0.204   23.766  35.477  1 46.803 ? 102 ILE   B HD12 1 c 1 
ATOM   1274 H HD13 . ILE   A 1 90  ? 0.314   22.211  35.159  1 44.888 ? 102 ILE   B HD13 1 c 1 
ATOM   1275 N N    . ALA   A 1 91  ? -5.041  19.666  35.393  1 29.259 ? 103 ALA   B N    1 ? 1 
ATOM   1276 C CA   . ALA   A 1 91  ? -5.672  18.398  35.729  1 29.691 ? 103 ALA   B CA   1 ? 1 
ATOM   1277 C C    . ALA   A 1 91  ? -5.147  17.278  34.812  1 27.54  ? 103 ALA   B C    1 ? 1 
ATOM   1278 O O    . ALA   A 1 91  ? -4.714  17.552  33.668  1 28.051 ? 103 ALA   B O    1 ? 1 
ATOM   1279 C CB   . ALA   A 1 91  ? -7.171  18.538  35.565  1 29     ? 103 ALA   B CB   1 ? 1 
ATOM   1280 H H    . ALA   A 1 91  ? -5.021  19.942  34.522  1 29.577 ? 103 ALA   B H    1 c 1 
ATOM   1281 H HA   . ALA   A 1 91  ? -5.457  18.167  36.673  1 29.655 ? 103 ALA   B HA   1 c 1 
ATOM   1282 H HB1  . ALA   A 1 91  ? -7.502  19.229  36.163  1 29.592 ? 103 ALA   B HB1  1 c 1 
ATOM   1283 H HB2  . ALA   A 1 91  ? -7.379  18.782  34.647  1 28.517 ? 103 ALA   B HB2  1 c 1 
ATOM   1284 H HB3  . ALA   A 1 91  ? -7.604  17.695  35.779  1 28.078 ? 103 ALA   B HB3  1 c 1 
ATOM   1285 N N    . HIS   A 1 92  ? -5.207  16.059  35.302  1 24.335 ? 104 HIS   B N    1 ? 1 
ATOM   1286 C CA   . HIS   A 1 92  ? -5.001  14.845  34.523  1 25.335 ? 104 HIS   B CA   1 ? 1 
ATOM   1287 C C    . HIS   A 1 92  ? -6.326  14.144  34.226  1 25.535 ? 104 HIS   B C    1 ? 1 
ATOM   1288 O O    . HIS   A 1 92  ? -7.185  14.054  35.12   1 26.107 ? 104 HIS   B O    1 ? 1 
ATOM   1289 C CB   . HIS   A 1 92  ? -4.124  13.867  35.256  1 25.754 ? 104 HIS   B CB   1 ? 1 
ATOM   1290 C CG   . HIS   A 1 92  ? -2.695  14.236  35.313  1 27.349 ? 104 HIS   B CG   1 ? 1 
ATOM   1291 N ND1  . HIS   A 1 92  ? -1.718  13.579  36.009  1 29.775 ? 104 HIS   B ND1  1 ? 1 
ATOM   1292 C CD2  . HIS   A 1 92  ? -2.108  15.313  34.739  1 30.071 ? 104 HIS   B CD2  1 ? 1 
ATOM   1293 C CE1  . HIS   A 1 92  ? -0.564  14.21   35.823  1 32.708 ? 104 HIS   B CE1  1 ? 1 
ATOM   1294 N NE2  . HIS   A 1 92  ? -0.746  15.209  34.998  1 32.247 ? 104 HIS   B NE2  1 ? 1 
ATOM   1295 H H    . HIS   A 1 92  ? -5.391  15.965  36.192  1 25.617 ? 104 HIS   B H    1 c 1 
ATOM   1296 H HA   . HIS   A 1 92  ? -4.577  15.085  33.667  1 25.474 ? 104 HIS   B HA   1 c 1 
ATOM   1297 H HB2  . HIS   A 1 92  ? -4.462  13.771  36.173  1 25.922 ? 104 HIS   B HB2  1 c 1 
ATOM   1298 H HB3  . HIS   A 1 92  ? -4.204  12.989  34.822  1 25.331 ? 104 HIS   B HB3  1 c 1 
ATOM   1299 H HD1  . HIS   A 1 92  ? -1.833  12.866  36.509  0 20     ? 104 HIS   B HD1  1 c 1 
ATOM   1300 H HD2  . HIS   A 1 92  ? -2.506  15.933  34.159  1 29.233 ? 104 HIS   B HD2  1 c 1 
ATOM   1301 H HE1  . HIS   A 1 92  ? 0.264   13.936  36.178  1 33.748 ? 104 HIS   B HE1  1 c 1 
ATOM   1302 H HE2  . HIS   A 1 92  ? -0.115  15.732  34.671  0 20     ? 104 HIS   B HE2  1 c 1 
ATOM   1303 N N    . LEU   A 1 93  ? -6.605  13.814  32.947  1 25.215 ? 105 LEU   B N    1 ? 1 
ATOM   1304 C CA   . LEU   A 1 93  ? -7.803  13.048  32.592  1 24.104 ? 105 LEU   B CA   1 ? 1 
ATOM   1305 C C    . LEU   A 1 93  ? -7.36   11.715  31.99   1 25.481 ? 105 LEU   B C    1 ? 1 
ATOM   1306 O O    . LEU   A 1 93  ? -6.408  11.648  31.166  1 24.688 ? 105 LEU   B O    1 ? 1 
ATOM   1307 C CB   . LEU   A 1 93  ? -8.632  13.81   31.553  1 23.513 ? 105 LEU   B CB   1 ? 1 
ATOM   1308 C CG   . LEU   A 1 93  ? -9.159  15.183  31.906  1 24.838 ? 105 LEU   B CG   1 ? 1 
ATOM   1309 C CD1  . LEU   A 1 93  ? -9.959  15.69   30.726  1 27.732 ? 105 LEU   B CD1  1 ? 1 
ATOM   1310 C CD2  . LEU   A 1 93  ? -10.074 15.048  33.138  1 25.588 ? 105 LEU   B CD2  1 ? 1 
ATOM   1311 H H    . LEU   A 1 93  ? -6.035  14.073  32.282  1 25.479 ? 105 LEU   B H    1 c 1 
ATOM   1312 H HA   . LEU   A 1 93  ? -8.342  12.888  33.403  1 24.218 ? 105 LEU   B HA   1 c 1 
ATOM   1313 H HB2  . LEU   A 1 93  ? -8.085  13.896  30.738  1 24.087 ? 105 LEU   B HB2  1 c 1 
ATOM   1314 H HB3  . LEU   A 1 93  ? -9.4    13.244  31.308  1 23.261 ? 105 LEU   B HB3  1 c 1 
ATOM   1315 H HG   . LEU   A 1 93  ? -8.402  15.793  32.1    1 26.058 ? 105 LEU   B HG   1 c 1 
ATOM   1316 H HD11 . LEU   A 1 93  ? -9.389  15.73   29.94   1 26.988 ? 105 LEU   B HD11 1 c 1 
ATOM   1317 H HD12 . LEU   A 1 93  ? -10.3   16.579  30.923  1 27.173 ? 105 LEU   B HD12 1 c 1 
ATOM   1318 H HD13 . LEU   A 1 93  ? -10.703 15.089  30.555  1 26.196 ? 105 LEU   B HD13 1 c 1 
ATOM   1319 H HD21 . LEU   A 1 93  ? -9.532  14.883  33.928  1 25.681 ? 105 LEU   B HD21 1 c 1 
ATOM   1320 H HD22 . LEU   A 1 93  ? -10.69  14.308  33.008  1 24.772 ? 105 LEU   B HD22 1 c 1 
ATOM   1321 H HD23 . LEU   A 1 93  ? -10.578 15.87   33.259  1 25.616 ? 105 LEU   B HD23 1 c 1 
ATOM   1322 N N    . LEU   A 1 94  ? -8.058  10.667  32.342  1 23.809 ? 106 LEU   B N    1 ? 1 
ATOM   1323 C CA   . LEU   A 1 94  ? -7.921  9.367   31.66   1 25.235 ? 106 LEU   B CA   1 ? 1 
ATOM   1324 C C    . LEU   A 1 94  ? -9.273  9.004   31.081  1 24.577 ? 106 LEU   B C    1 ? 1 
ATOM   1325 O O    . LEU   A 1 94  ? -10.262 9.075   31.83   1 21.839 ? 106 LEU   B O    1 ? 1 
ATOM   1326 C CB   . LEU   A 1 94  ? -7.45   8.279   32.567  1 24.561 ? 106 LEU   B CB   1 ? 1 
ATOM   1327 C CG   . LEU   A 1 94  ? -7.081  6.947   31.918  1 26.375 ? 106 LEU   B CG   1 ? 1 
ATOM   1328 C CD1  . LEU   A 1 94  ? -5.793  7.08    31.059  1 26.086 ? 106 LEU   B CD1  1 ? 1 
ATOM   1329 C CD2  . LEU   A 1 94  ? -6.884  5.898   32.889  1 27.918 ? 106 LEU   B CD2  1 ? 1 
ATOM   1330 H H    . LEU   A 1 94  ? -8.651  10.737  33.035  1 24.226 ? 106 LEU   B H    1 c 1 
ATOM   1331 H HA   . LEU   A 1 94  ? -7.277  9.471   30.916  1 25.034 ? 106 LEU   B HA   1 c 1 
ATOM   1332 H HB2  . LEU   A 1 94  ? -6.662  8.611   33.056  1 25.778 ? 106 LEU   B HB2  1 c 1 
ATOM   1333 H HB3  . LEU   A 1 94  ? -8.154  8.113   33.235  1 24.946 ? 106 LEU   B HB3  1 c 1 
ATOM   1334 H HG   . LEU   A 1 94  ? -7.824  6.675   31.319  1 25.559 ? 106 LEU   B HG   1 c 1 
ATOM   1335 H HD11 . LEU   A 1 94  ? -5.945  7.714   30.34   1 26.013 ? 106 LEU   B HD11 1 c 1 
ATOM   1336 H HD12 . LEU   A 1 94  ? -5.563  6.215   30.681  1 27.051 ? 106 LEU   B HD12 1 c 1 
ATOM   1337 H HD13 . LEU   A 1 94  ? -5.062  7.394   31.617  1 27.062 ? 106 LEU   B HD13 1 c 1 
ATOM   1338 H HD21 . LEU   A 1 94  ? -7.693  5.787   33.417  1 27.35  ? 106 LEU   B HD21 1 c 1 
ATOM   1339 H HD22 . LEU   A 1 94  ? -6.146  6.134   33.476  1 28.371 ? 106 LEU   B HD22 1 c 1 
ATOM   1340 H HD23 . LEU   A 1 94  ? -6.68   5.065   32.432  1 28.247 ? 106 LEU   B HD23 1 c 1 
ATOM   1341 N N    . ILE   A 1 95  ? -9.323  8.65    29.78   1 23.156 ? 107 ILE   B N    1 ? 1 
ATOM   1342 C CA   . ILE   A 1 95  ? -10.572 8.636   29.02   1 22.881 ? 107 ILE   B CA   1 ? 1 
ATOM   1343 C C    . ILE   A 1 95  ? -10.792 7.311   28.274  1 23.773 ? 107 ILE   B C    1 ? 1 
ATOM   1344 O O    . ILE   A 1 95  ? -9.943  6.945   27.494  1 23.664 ? 107 ILE   B O    1 ? 1 
ATOM   1345 C CB   . ILE   A 1 95  ? -10.496 9.804   28.028  1 24.357 ? 107 ILE   B CB   1 ? 1 
ATOM   1346 C CG1  . ILE   A 1 95  ? -10.292 11.171  28.798  1 23.966 ? 107 ILE   B CG1  1 ? 1 
ATOM   1347 C CG2  . ILE   A 1 95  ? -11.729 9.825   27.141  1 22.737 ? 107 ILE   B CG2  1 ? 1 
ATOM   1348 C CD1  . ILE   A 1 95  ? -9.733  12.244  27.907  1 26.214 ? 107 ILE   B CD1  1 ? 1 
ATOM   1349 H H    . ILE   A 1 95  ? -8.551  8.406   29.356  1 24.038 ? 107 ILE   B H    1 c 1 
ATOM   1350 H HA   . ILE   A 1 95  ? -11.318 8.79    29.629  1 22.87  ? 107 ILE   B HA   1 c 1 
ATOM   1351 H HB   . ILE   A 1 95  ? -9.714  9.662   27.457  1 24.195 ? 107 ILE   B HB   1 c 1 
ATOM   1352 H HG12 . ILE   A 1 95  ? -11.153 11.468  29.157  1 24.135 ? 107 ILE   B HG12 1 c 1 
ATOM   1353 H HG13 . ILE   A 1 95  ? -9.68   11.034  29.548  1 24.577 ? 107 ILE   B HG13 1 c 1 
ATOM   1354 H HG21 . ILE   A 1 95  ? -11.779 10.675  26.674  1 23.296 ? 107 ILE   B HG21 1 c 1 
ATOM   1355 H HG22 . ILE   A 1 95  ? -12.525 9.708   27.686  1 22.913 ? 107 ILE   B HG22 1 c 1 
ATOM   1356 H HG23 . ILE   A 1 95  ? -11.675 9.106   26.489  1 23.475 ? 107 ILE   B HG23 1 c 1 
ATOM   1357 H HD11 . ILE   A 1 95  ? -8.895  11.934  27.516  1 26.103 ? 107 ILE   B HD11 1 c 1 
ATOM   1358 H HD12 . ILE   A 1 95  ? -9.568  13.051  28.43   1 25.794 ? 107 ILE   B HD12 1 c 1 
ATOM   1359 H HD13 . ILE   A 1 95  ? -10.367 12.445  27.193  1 25.615 ? 107 ILE   B HD13 1 c 1 
ATOM   1360 N N    . LYS   A 1 96  ? -11.88  6.626   28.555  1 21.879 ? 108 LYS   B N    1 ? 1 
ATOM   1361 C CA   . LYS   A 1 96  ? -12.282 5.438   27.789  1 24.341 ? 108 LYS   B CA   1 ? 1 
ATOM   1362 C C    . LYS   A 1 96  ? -12.753 5.815   26.413  1 22.259 ? 108 LYS   B C    1 ? 1 
ATOM   1363 O O    . LYS   A 1 96  ? -13.096 6.973   26.107  1 22.833 ? 108 LYS   B O    1 ? 1 
ATOM   1364 C CB   . LYS   A 1 96  ? -13.451 4.731   28.494  1 28.414 ? 108 LYS   B CB   1 ? 1 
ATOM   1365 C CG   . LYS   A 1 96  ? -13.092 4.149   29.843  1 26.137 ? 108 LYS   B CG   1 ? 1 
ATOM   1366 C CD   . LYS   A 1 96  ? -14.246 3.37    30.443  1 26.485 ? 108 LYS   B CD   1 ? 1 
ATOM   1367 C CE   . LYS   A 1 96  ? -13.911 2.753   31.776  1 35.753 ? 108 LYS   B CE   1 ? 1 
ATOM   1368 N NZ   . LYS   A 1 96  ? -15.108 2.002   32.215  1 39.213 ? 108 LYS   B NZ   1 ? 1 
ATOM   1369 H H    . LYS   A 1 96  ? -12.407 6.895   29.251  1 22.515 ? 108 LYS   B H    1 c 1 
ATOM   1370 H HA   . LYS   A 1 96  ? -11.507 4.826   27.72   1 24.712 ? 108 LYS   B HA   1 c 1 
ATOM   1371 H HB2  . LYS   A 1 96  ? -14.182 5.373   28.616  1 26.496 ? 108 LYS   B HB2  1 c 1 
ATOM   1372 H HB3  . LYS   A 1 96  ? -13.781 4.008   27.92   1 27.376 ? 108 LYS   B HB3  1 c 1 
ATOM   1373 H HG2  . LYS   A 1 96  ? -12.319 3.555   29.737  1 27.18  ? 108 LYS   B HG2  1 c 1 
ATOM   1374 H HG3  . LYS   A 1 96  ? -12.841 4.879   30.449  1 26.166 ? 108 LYS   B HG3  1 c 1 
ATOM   1375 H HD2  . LYS   A 1 96  ? -15.016 3.968   30.552  1 27.991 ? 108 LYS   B HD2  1 c 1 
ATOM   1376 H HD3  . LYS   A 1 96  ? -14.506 2.658   29.818  1 28.914 ? 108 LYS   B HD3  1 c 1 
ATOM   1377 H HE2  . LYS   A 1 96  ? -13.156 2.144   31.689  1 34.562 ? 108 LYS   B HE2  1 c 1 
ATOM   1378 H HE3  . LYS   A 1 96  ? -13.694 3.438   32.431  1 33.612 ? 108 LYS   B HE3  1 c 1 
ATOM   1379 H HZ1  . LYS   A 1 96  ? -15.302 1.352   31.615  1 38.766 ? 108 LYS   B HZ1  1 c 1 
ATOM   1380 H HZ2  . LYS   A 1 96  ? -15.816 2.564   32.286  1 37.947 ? 108 LYS   B HZ2  1 c 1 
ATOM   1381 H HZ3  . LYS   A 1 96  ? -14.949 1.622   33.022  1 38.965 ? 108 LYS   B HZ3  1 c 1 
ATOM   1382 N N    . PRO   A 1 97  ? -12.648 4.884   25.428  1 23.227 ? 109 PRO   B N    1 ? 1 
ATOM   1383 C CA   . PRO   A 1 97  ? -12.961 5.222   24.041  1 21.627 ? 109 PRO   B CA   1 ? 1 
ATOM   1384 C C    . PRO   A 1 97  ? -14.346 5.762   23.757  1 22.279 ? 109 PRO   B C    1 ? 1 
ATOM   1385 O O    . PRO   A 1 97  ? -14.495 6.545   22.841  1 24.031 ? 109 PRO   B O    1 ? 1 
ATOM   1386 C CB   . PRO   A 1 97  ? -12.683 3.931   23.276  1 26.664 ? 109 PRO   B CB   1 ? 1 
ATOM   1387 C CG   . PRO   A 1 97  ? -12.548 2.834   24.292  1 24.933 ? 109 PRO   B CG   1 ? 1 
ATOM   1388 C CD   . PRO   A 1 97  ? -12.106 3.536   25.587  1 25.235 ? 109 PRO   B CD   1 ? 1 
ATOM   1389 H HA   . PRO   A 1 97  ? -12.31  5.889   23.738  1 22.731 ? 109 PRO   B HA   1 c 1 
ATOM   1390 H HB2  . PRO   A 1 97  ? -13.413 3.734   22.657  1 25.794 ? 109 PRO   B HB2  1 c 1 
ATOM   1391 H HB3  . PRO   A 1 97  ? -11.862 4.014   22.753  1 25.781 ? 109 PRO   B HB3  1 c 1 
ATOM   1392 H HG2  . PRO   A 1 97  ? -13.401 2.375   24.424  1 25.908 ? 109 PRO   B HG2  1 c 1 
ATOM   1393 H HG3  . PRO   A 1 97  ? -11.878 2.18    24.011  1 26.548 ? 109 PRO   B HG3  1 c 1 
ATOM   1394 H HD2  . PRO   A 1 97  ? -12.483 3.097   26.372  1 24.699 ? 109 PRO   B HD2  1 c 1 
ATOM   1395 H HD3  . PRO   A 1 97  ? -11.133 3.56    25.665  1 24.88  ? 109 PRO   B HD3  1 c 1 
ATOM   1396 N N    . GLU   A 1 98  ? -15.319 5.377   24.591  1 24.083 ? 110 GLU   B N    1 ? 1 
ATOM   1397 C CA   . GLU   A 1 98  ? -16.682 5.873   24.378  1 25.827 ? 110 GLU   B CA   1 ? 1 
ATOM   1398 C C    . GLU   A 1 98  ? -16.739 7.404   24.541  1 23.304 ? 110 GLU   B C    1 ? 1 
ATOM   1399 O O    . GLU   A 1 98  ? -17.697 7.999   24.019  1 25.93  ? 110 GLU   B O    1 ? 1 
ATOM   1400 C CB   . GLU   A 1 98  ? -17.705 5.234   25.298  1 31.078 ? 110 GLU   B CB   1 ? 1 
ATOM   1401 C CG   . GLU   A 1 98  ? -17.853 3.722   25.085  1 34.043 ? 110 GLU   B CG   1 ? 1 
ATOM   1402 C CD   . GLU   A 1 98  ? -16.687 2.798   25.518  1 39.69  ? 110 GLU   B CD   1 ? 1 
ATOM   1403 O OE1  . GLU   A 1 98  ? -15.785 3.14    26.382  1 25.495 ? 110 GLU   B OE1  1 ? 1 
ATOM   1404 O OE2  . GLU   A 1 98  ? -16.607 1.719   24.822  1 40.751 ? 110 GLU   B OE2  1 ? 1 
ATOM   1405 H H    . GLU   A 1 98  ? -15.144 4.82    25.293  1 23.954 ? 110 GLU   B H    1 c 1 
ATOM   1406 H HA   . GLU   A 1 98  ? -16.941 5.655   23.446  1 26.697 ? 110 GLU   B HA   1 c 1 
ATOM   1407 H HB2  . GLU   A 1 98  ? -17.442 5.403   26.227  1 29.718 ? 110 GLU   B HB2  1 c 1 
ATOM   1408 H HB3  . GLU   A 1 98  ? -18.574 5.663   25.151  1 30.526 ? 110 GLU   B HB3  1 c 1 
ATOM   1409 H HG2  . GLU   A 1 98  ? -18.659 3.425   25.559  1 35.254 ? 110 GLU   B HG2  1 c 1 
ATOM   1410 H HG3  . GLU   A 1 98  ? -18.02  3.564   24.132  1 35.458 ? 110 GLU   B HG3  1 c 1 
ATOM   1411 N N    . TYR   A 1 99  ? -15.78  8.048   25.24   1 21.962 ? 111 TYR   B N    1 ? 1 
ATOM   1412 C CA   . TYR   A 1 99  ? -15.793 9.483   25.423  1 21.009 ? 111 TYR   B CA   1 ? 1 
ATOM   1413 C C    . TYR   A 1 99  ? -14.678 10.102  24.57   1 22.815 ? 111 TYR   B C    1 ? 1 
ATOM   1414 O O    . TYR   A 1 99  ? -14.34  11.286  24.696  1 22.939 ? 111 TYR   B O    1 ? 1 
ATOM   1415 C CB   . TYR   A 1 99  ? -15.588 9.843   26.893  1 24.159 ? 111 TYR   B CB   1 ? 1 
ATOM   1416 C CG   . TYR   A 1 99  ? -16.816 9.436   27.685  1 21.209 ? 111 TYR   B CG   1 ? 1 
ATOM   1417 C CD1  . TYR   A 1 99  ? -17     8.134   28.175  1 20.94  ? 111 TYR   B CD1  1 ? 1 
ATOM   1418 C CD2  . TYR   A 1 99  ? -17.864 10.314  27.877  1 24.653 ? 111 TYR   B CD2  1 ? 1 
ATOM   1419 C CE1  . TYR   A 1 99  ? -18.096 7.733   28.889  1 21.177 ? 111 TYR   B CE1  1 ? 1 
ATOM   1420 C CE2  . TYR   A 1 99  ? -19.004 9.923   28.55   1 27.377 ? 111 TYR   B CE2  1 ? 1 
ATOM   1421 C CZ   . TYR   A 1 99  ? -19.115 8.656   29.096  1 27.218 ? 111 TYR   B CZ   1 ? 1 
ATOM   1422 O OH   . TYR   A 1 99  ? -20.273 8.249   29.737  1 27.363 ? 111 TYR   B OH   1 ? 1 
ATOM   1423 H H    . TYR   A 1 99  ? -15.107 7.566   25.627  1 21.75  ? 111 TYR   B H    1 c 1 
ATOM   1424 H HA   . TYR   A 1 99  ? -16.669 9.843   25.122  1 22.485 ? 111 TYR   B HA   1 c 1 
ATOM   1425 H HB2  . TYR   A 1 99  ? -14.8   9.367   27.238  1 22.273 ? 111 TYR   B HB2  1 c 1 
ATOM   1426 H HB3  . TYR   A 1 99  ? -15.449 10.812  26.975  1 22.429 ? 111 TYR   B HB3  1 c 1 
ATOM   1427 H HD1  . TYR   A 1 99  ? -16.296 7.515   28.062  1 20.966 ? 111 TYR   B HD1  1 c 1 
ATOM   1428 H HD2  . TYR   A 1 99  ? -17.804 11.193  27.537  1 24.415 ? 111 TYR   B HD2  1 c 1 
ATOM   1429 H HE1  . TYR   A 1 99  ? -18.169 6.852   29.214  1 22.806 ? 111 TYR   B HE1  1 c 1 
ATOM   1430 H HE2  . TYR   A 1 99  ? -19.695 10.547  28.689  1 27.199 ? 111 TYR   B HE2  1 c 1 
ATOM   1431 H HH   . TYR   A 1 99  ? -20.208 7.418   29.947  0 20     ? 111 TYR   B HH   1 c 1 
ATOM   1432 N N    . ALA   A 1 100 ? -14.098 9.304   23.639  1 22.063 ? 112 ALA   B N    1 ? 1 
ATOM   1433 C CA   . ALA   A 1 100 ? -13.074 9.853   22.803  1 23.499 ? 112 ALA   B CA   1 ? 1 
ATOM   1434 C C    . ALA   A 1 100 ? -13.415 9.454   21.337  1 23.688 ? 112 ALA   B C    1 ? 1 
ATOM   1435 O O    . ALA   A 1 100 ? -14.283 10.085  20.723  1 25.961 ? 112 ALA   B O    1 ? 1 
ATOM   1436 C CB   . ALA   A 1 100 ? -11.714 9.343   23.191  1 25.216 ? 112 ALA   B CB   1 ? 1 
ATOM   1437 H H    . ALA   A 1 100 ? -14.352 8.434   23.532  1 22.775 ? 112 ALA   B H    1 c 1 
ATOM   1438 H HA   . ALA   A 1 100 ? -13.092 10.845  22.872  1 23.401 ? 112 ALA   B HA   1 c 1 
ATOM   1439 H HB1  . ALA   A 1 100 ? -11.435 9.764   24.022  1 24.154 ? 112 ALA   B HB1  1 c 1 
ATOM   1440 H HB2  . ALA   A 1 100 ? -11.747 8.38    23.318  1 24.747 ? 112 ALA   B HB2  1 c 1 
ATOM   1441 H HB3  . ALA   A 1 100 ? -11.07  9.557   22.495  1 25.318 ? 112 ALA   B HB3  1 c 1 
ATOM   1442 N N    . TYR   A 1 101 ? -12.693 8.493   20.769  1 24.874 ? 113 TYR   B N    1 ? 1 
ATOM   1443 C CA   . TYR   A 1 101 ? -12.846 8.14    19.348  1 25.878 ? 113 TYR   B CA   1 ? 1 
ATOM   1444 C C    . TYR   A 1 101 ? -13.425 6.746   19.075  1 26.216 ? 113 TYR   B C    1 ? 1 
ATOM   1445 O O    . TYR   A 1 101 ? -13.521 6.363   17.889  1 27.766 ? 113 TYR   B O    1 ? 1 
ATOM   1446 C CB   . TYR   A 1 101 ? -11.486 8.284   18.638  1 25.583 ? 113 TYR   B CB   1 ? 1 
ATOM   1447 C CG   . TYR   A 1 101 ? -10.864 9.658   18.682  1 25.543 ? 113 TYR   B CG   1 ? 1 
ATOM   1448 C CD1  . TYR   A 1 101 ? -11.27  10.667  17.811  1 28.159 ? 113 TYR   B CD1  1 ? 1 
ATOM   1449 C CD2  . TYR   A 1 101 ? -9.934  9.978   19.676  1 24.504 ? 113 TYR   B CD2  1 ? 1 
ATOM   1450 C CE1  . TYR   A 1 101 ? -10.705 11.923  17.881  1 27.541 ? 113 TYR   B CE1  1 ? 1 
ATOM   1451 C CE2  . TYR   A 1 101 ? -9.37   11.232  19.756  1 25.746 ? 113 TYR   B CE2  1 ? 1 
ATOM   1452 C CZ   . TYR   A 1 101 ? -9.771  12.205  18.886  1 26.9   ? 113 TYR   B CZ   1 ? 1 
ATOM   1453 O OH   . TYR   A 1 101 ? -9.311  13.504  18.933  1 29.776 ? 113 TYR   B OH   1 ? 1 
ATOM   1454 H H    . TYR   A 1 101 ? -12.093 8.021   21.27   1 24.466 ? 113 TYR   B H    1 c 1 
ATOM   1455 H HA   . TYR   A 1 101 ? -13.464 8.802   18.939  1 25.925 ? 113 TYR   B HA   1 c 1 
ATOM   1456 H HB2  . TYR   A 1 101 ? -10.86  7.643   19.042  1 25.803 ? 113 TYR   B HB2  1 c 1 
ATOM   1457 H HB3  . TYR   A 1 101 ? -11.601 8.025   17.697  1 27.066 ? 113 TYR   B HB3  1 c 1 
ATOM   1458 H HD1  . TYR   A 1 101 ? -11.906 10.478  17.139  1 28.212 ? 113 TYR   B HD1  1 c 1 
ATOM   1459 H HD2  . TYR   A 1 101 ? -9.661  9.31    20.285  1 24.412 ? 113 TYR   B HD2  1 c 1 
ATOM   1460 H HE1  . TYR   A 1 101 ? -10.987 12.603  17.294  1 28.568 ? 113 TYR   B HE1  1 c 1 
ATOM   1461 H HE2  . TYR   A 1 101 ? -8.748  11.431  20.434  1 25.321 ? 113 TYR   B HE2  1 c 1 
ATOM   1462 H HH   . TYR   A 1 101 ? -9.675  13.981  18.311  0 20     ? 113 TYR   B HH   1 c 1 
ATOM   1463 N N    . GLY   A 1 102 ? -13.873 6.054   20.094  1 25.708 ? 114 GLY   B N    1 ? 1 
ATOM   1464 C CA   . GLY   A 1 102 ? -14.78  4.913   19.953  1 27.684 ? 114 GLY   B CA   1 ? 1 
ATOM   1465 C C    . GLY   A 1 102 ? -14.151 3.699   19.261  1 29.958 ? 114 GLY   B C    1 ? 1 
ATOM   1466 O O    . GLY   A 1 102 ? -12.931 3.605   19.034  1 28.31  ? 114 GLY   B O    1 ? 1 
ATOM   1467 H H    . GLY   A 1 102 ? -13.604 6.287   20.936  1 25.009 ? 114 GLY   B H    1 c 1 
ATOM   1468 H HA2  . GLY   A 1 102 ? -15.09  4.648   20.849  1 26.997 ? 114 GLY   B HA2  1 c 1 
ATOM   1469 H HA3  . GLY   A 1 102 ? -15.57  5.203   19.44   1 28.049 ? 114 GLY   B HA3  1 c 1 
ATOM   1470 N N    . SER   A 1 103 ? -15.013 2.861   18.701  1 30.301 ? 115 SER   B N    1 ? 1 
ATOM   1471 C CA   . SER   A 1 103 ? -14.537 1.651   18.034  1 31.939 ? 115 SER   B CA   1 ? 1 
ATOM   1472 C C    . SER   A 1 103 ? -14.003 1.991   16.68   1 30.822 ? 115 SER   B C    1 ? 1 
ATOM   1473 O O    . SER   A 1 103 ? -13.157 1.263   16.182  1 31.436 ? 115 SER   B O    1 ? 1 
ATOM   1474 C CB   . SER   A 1 103 ? -15.594 0.591   17.993  1 38.068 ? 115 SER   B CB   1 ? 1 
ATOM   1475 O OG   . SER   A 1 103 ? -16.744 1.139   17.382  1 36.597 ? 115 SER   B OG   1 ? 1 
ATOM   1476 H H    . SER   A 1 103 ? -15.91  3.034   18.73   1 30.482 ? 115 SER   B H    1 c 1 
ATOM   1477 H HA   . SER   A 1 103 ? -13.782 1.296   18.566  1 32.04  ? 115 SER   B HA   1 c 1 
ATOM   1478 H HB2  . SER   A 1 103 ? -15.275 -0.174  17.477  1 37.766 ? 115 SER   B HB2  1 c 1 
ATOM   1479 H HB3  . SER   A 1 103 ? -15.805 0.299   18.899  1 35.705 ? 115 SER   B HB3  1 c 1 
ATOM   1480 H HG   . SER   A 1 103 ? -17.351 0.544   17.365  0 20     ? 115 SER   B HG   1 c 1 
ATOM   1481 N N    . ALA   A 1 104 ? -14.459 3.071   16.027  1 28.595 ? 116 ALA   B N    1 ? 1 
ATOM   1482 C CA   . ALA   A 1 104 ? -13.848 3.394   14.775  1 29.998 ? 116 ALA   B CA   1 ? 1 
ATOM   1483 C C    . ALA   A 1 104 ? -12.41  3.892   14.875  1 28.628 ? 116 ALA   B C    1 ? 1 
ATOM   1484 O O    . ALA   A 1 104 ? -11.635 3.706   13.893  1 30.891 ? 116 ALA   B O    1 ? 1 
ATOM   1485 C CB   . ALA   A 1 104 ? -14.695 4.377   13.966  1 31.89  ? 116 ALA   B CB   1 ? 1 
ATOM   1486 H H    . ALA   A 1 104 ? -15.139 3.585   16.356  1 28.271 ? 116 ALA   B H    1 c 1 
ATOM   1487 H HA   . ALA   A 1 104 ? -13.814 2.546   14.251  1 31.558 ? 116 ALA   B HA   1 c 1 
ATOM   1488 H HB1  . ALA   A 1 104 ? -15.555 3.975   13.759  1 32.151 ? 116 ALA   B HB1  1 c 1 
ATOM   1489 H HB2  . ALA   A 1 104 ? -14.835 5.189   14.481  1 30.213 ? 116 ALA   B HB2  1 c 1 
ATOM   1490 H HB3  . ALA   A 1 104 ? -14.237 4.598   13.137  1 32.741 ? 116 ALA   B HB3  1 c 1 
ATOM   1491 N N    . GLY   A 1 105 ? -12.123 4.579   15.972  1 29.601 ? 117 GLY   B N    1 ? 1 
ATOM   1492 C CA   . GLY   A 1 105 ? -10.857 5.294   16.074  1 28.84  ? 117 GLY   B CA   1 ? 1 
ATOM   1493 C C    . GLY   A 1 105 ? -10.806 6.527   15.187  1 30.13  ? 117 GLY   B C    1 ? 1 
ATOM   1494 O O    . GLY   A 1 105 ? -11.808 6.954   14.61   1 28.695 ? 117 GLY   B O    1 ? 1 
ATOM   1495 H H    . GLY   A 1 105 ? -12.714 4.613   16.668  1 27.551 ? 117 GLY   B H    1 c 1 
ATOM   1496 H HA2  . GLY   A 1 105 ? -10.719 5.563   17.011  1 27.764 ? 117 GLY   B HA2  1 c 1 
ATOM   1497 H HA3  . GLY   A 1 105 ? -10.124 4.683   15.826  1 30.154 ? 117 GLY   B HA3  1 c 1 
ATOM   1498 N N    . SER   A 1 106 ? -9.547  6.988   14.941  1 29.662 ? 118 SER   B N    1 ? 1 
ATOM   1499 C CA   . SER   A 1 106 ? -9.27   8.05    14.019  1 32.773 ? 118 SER   B CA   1 ? 1 
ATOM   1500 C C    . SER   A 1 106 ? -7.853  7.887   13.511  1 33.685 ? 118 SER   B C    1 ? 1 
ATOM   1501 O O    . SER   A 1 106 ? -6.956  8.64    13.886  1 34.04  ? 118 SER   B O    1 ? 1 
ATOM   1502 C CB   . SER   A 1 106 ? -9.45   9.414   14.711  1 31.293 ? 118 SER   B CB   1 ? 1 
ATOM   1503 O OG   . SER   A 1 106 ? -9.536  10.367  13.67   1 32.395 ? 118 SER   B OG   1 ? 1 
ATOM   1504 H H    . SER   A 1 106 ? -8.846  6.6     15.38   1 30.319 ? 118 SER   B H    1 c 1 
ATOM   1505 H HA   . SER   A 1 106 ? -9.896  7.986   13.254  1 33.152 ? 118 SER   B HA   1 c 1 
ATOM   1506 H HB2  . SER   A 1 106 ? -10.27  9.416   15.239  1 29.884 ? 118 SER   B HB2  1 c 1 
ATOM   1507 H HB3  . SER   A 1 106 ? -8.688  9.607   15.288  1 30.712 ? 118 SER   B HB3  1 c 1 
ATOM   1508 H HG   . SER   A 1 106 ? -9.658  11.122  14.03   0 20     ? 118 SER   B HG   1 c 1 
ATOM   1509 N N    . LEU   A 1 107 ? -7.678  6.953   12.577  1 33.927 ? 119 LEU   B N    1 ? 1 
ATOM   1510 C CA   . LEU   A 1 107 ? -6.35   6.658   12.091  1 35.199 ? 119 LEU   B CA   1 ? 1 
ATOM   1511 C C    . LEU   A 1 107 ? -5.882  7.851   11.277  1 38.87  ? 119 LEU   B C    1 ? 1 
ATOM   1512 O O    . LEU   A 1 107 ? -6.658  8.444   10.469  1 38.689 ? 119 LEU   B O    1 ? 1 
ATOM   1513 C CB   . LEU   A 1 107 ? -6.412  5.378   11.264  1 37.606 ? 119 LEU   B CB   1 ? 1 
ATOM   1514 C CG   . LEU   A 1 107 ? -6.515  4.104   12.085  1 37.499 ? 119 LEU   B CG   1 ? 1 
ATOM   1515 C CD1  . LEU   A 1 107 ? -6.563  2.932   11.17   1 38.958 ? 119 LEU   B CD1  1 ? 1 
ATOM   1516 C CD2  . LEU   A 1 107 ? -5.474  3.956   13.151  1 37.522 ? 119 LEU   B CD2  1 ? 1 
ATOM   1517 H H    . LEU   A 1 107 ? -8.394  6.495   12.241  1 34.357 ? 119 LEU   B H    1 c 1 
ATOM   1518 H HA   . LEU   A 1 107 ? -5.753  6.53    12.868  1 35.115 ? 119 LEU   B HA   1 c 1 
ATOM   1519 H HB2  . LEU   A 1 107 ? -7.195  5.431   10.669  1 38.253 ? 119 LEU   B HB2  1 c 1 
ATOM   1520 H HB3  . LEU   A 1 107 ? -5.605  5.327   10.704  1 39.911 ? 119 LEU   B HB3  1 c 1 
ATOM   1521 H HG   . LEU   A 1 107 ? -7.39   4.13    12.552  1 35.543 ? 119 LEU   B HG   1 c 1 
ATOM   1522 H HD11 . LEU   A 1 107 ? -7.303  3.036   10.548  1 39.734 ? 119 LEU   B HD11 1 c 1 
ATOM   1523 H HD12 . LEU   A 1 107 ? -6.688  2.119   11.688  1 38.856 ? 119 LEU   B HD12 1 c 1 
ATOM   1524 H HD13 . LEU   A 1 107 ? -5.73   2.873   10.673  1 41.227 ? 119 LEU   B HD13 1 c 1 
ATOM   1525 H HD21 . LEU   A 1 107 ? -5.702  4.516   13.91   1 35.328 ? 119 LEU   B HD21 1 c 1 
ATOM   1526 H HD22 . LEU   A 1 107 ? -4.608  4.226   12.8    1 38.773 ? 119 LEU   B HD22 1 c 1 
ATOM   1527 H HD23 . LEU   A 1 107 ? -5.43   3.028   13.438  1 37.522 ? 119 LEU   B HD23 1 c 1 
ATOM   1528 N N    . PRO   A 1 108 ? -4.538  7.994   11.129  1 43     ? 120 PRO   B N    1 ? 1 
ATOM   1529 C CA   . PRO   A 1 108 ? -3.572  7.084   11.73   1 44.99  ? 120 PRO   B CA   1 ? 1 
ATOM   1530 C C    . PRO   A 1 108 ? -3.187  7.394   13.167  1 39.581 ? 120 PRO   B C    1 ? 1 
ATOM   1531 O O    . PRO   A 1 108 ? -2.572  6.559   13.85   1 41.767 ? 120 PRO   B O    1 ? 1 
ATOM   1532 C CB   . PRO   A 1 108 ? -2.329  7.265   10.885  1 47.161 ? 120 PRO   B CB   1 ? 1 
ATOM   1533 C CG   . PRO   A 1 108 ? -2.476  8.705   10.375  1 50.611 ? 120 PRO   B CG   1 ? 1 
ATOM   1534 C CD   . PRO   A 1 108 ? -3.959  8.965   10.23   1 48.54  ? 120 PRO   B CD   1 ? 1 
ATOM   1535 H HA   . PRO   A 1 108 ? -3.884  6.162   11.66   1 43.774 ? 120 PRO   B HA   1 c 1 
ATOM   1536 H HB2  . PRO   A 1 108 ? -1.518  7.161   11.42   1 48.276 ? 120 PRO   B HB2  1 c 1 
ATOM   1537 H HB3  . PRO   A 1 108 ? -2.313  6.629   10.144  1 49.896 ? 120 PRO   B HB3  1 c 1 
ATOM   1538 H HG2  . PRO   A 1 108 ? -2.082  9.336   11.009  1 49.012 ? 120 PRO   B HG2  1 c 1 
ATOM   1539 H HG3  . PRO   A 1 108 ? -2.028  8.811   9.512   1 52.371 ? 120 PRO   B HG3  1 c 1 
ATOM   1540 H HD2  . PRO   A 1 108 ? -4.191  9.874   10.502  1 46.811 ? 120 PRO   B HD2  1 c 1 
ATOM   1541 H HD3  . PRO   A 1 108 ? -4.26   8.813   9.313   1 49.376 ? 120 PRO   B HD3  1 c 1 
ATOM   1542 N N    . LYS   A 1 109 ? -3.641  8.511   13.697  1 40.305 ? 121 LYS   B N    1 ? 1 
ATOM   1543 C CA   . LYS   A 1 109 ? -3.229  8.87    15.054  1 40.202 ? 121 LYS   B CA   1 ? 1 
ATOM   1544 C C    . LYS   A 1 109 ? -3.882  8.041   16.137  1 41.133 ? 121 LYS   B C    1 ? 1 
ATOM   1545 O O    . LYS   A 1 109 ? -3.214  7.74    17.13   1 42.187 ? 121 LYS   B O    1 ? 1 
ATOM   1546 C CB   . LYS   A 1 109 ? -3.475  10.335  15.414  1 42.211 ? 121 LYS   B CB   1 ? 1 
ATOM   1547 C CG   . LYS   A 1 109 ? -2.733  11.344  14.454  1 47.422 ? 121 LYS   B CG   1 ? 1 
ATOM   1548 C CD   . LYS   A 1 109 ? -3.014  12.822  14.8    1 52.04  ? 121 LYS   B CD   1 ? 1 
ATOM   1549 C CE   . LYS   A 1 109 ? -2.369  13.789  13.815  1 62.729 ? 121 LYS   B CE   1 ? 1 
ATOM   1550 N NZ   . LYS   A 1 109 ? -1.659  14.834  14.523  1 71.076 ? 121 LYS   B NZ   1 ? 1 
ATOM   1551 H H    . LYS   A 1 109 ? -4.203  9.063   13.234  1 39.968 ? 121 LYS   B H    1 c 1 
ATOM   1552 H HA   . LYS   A 1 109 ? -2.25   8.725   15.116  1 42.259 ? 121 LYS   B HA   1 c 1 
ATOM   1553 H HB2  . LYS   A 1 109 ? -4.438  10.517  15.378  1 40.83  ? 121 LYS   B HB2  1 c 1 
ATOM   1554 H HB3  . LYS   A 1 109 ? -3.171  10.495  16.333  1 40.981 ? 121 LYS   B HB3  1 c 1 
ATOM   1555 H HG2  . LYS   A 1 109 ? -1.766  11.179  14.51   1 49.248 ? 121 LYS   B HG2  1 c 1 
ATOM   1556 H HG3  . LYS   A 1 109 ? -3.016  11.169  13.531  1 49.141 ? 121 LYS   B HG3  1 c 1 
ATOM   1557 H HD2  . LYS   A 1 109 ? -3.984  12.969  14.804  1 51.027 ? 121 LYS   B HD2  1 c 1 
ATOM   1558 H HD3  . LYS   A 1 109 ? -2.675  13.008  15.703  1 51.563 ? 121 LYS   B HD3  1 c 1 
ATOM   1559 H HE2  . LYS   A 1 109 ? -1.745  13.311  13.241  1 64.255 ? 121 LYS   B HE2  1 c 1 
ATOM   1560 H HE3  . LYS   A 1 109 ? -3.056  14.192  13.254  1 62.697 ? 121 LYS   B HE3  1 c 1 
ATOM   1561 H HZ1  . LYS   A 1 109 ? -0.972  14.475  14.992  1 68.361 ? 121 LYS   B HZ1  1 c 1 
ATOM   1562 H HZ2  . LYS   A 1 109 ? -2.222  15.256  15.094  1 66.455 ? 121 LYS   B HZ2  1 c 1 
ATOM   1563 H HZ3  . LYS   A 1 109 ? -1.332  15.435  13.93   1 70.143 ? 121 LYS   B HZ3  1 c 1 
ATOM   1564 N N    . ILE   A 1 110 ? -5.196  7.709   16.009  1 35.512 ? 122 ILE   B N    1 ? 1 
ATOM   1565 C CA   . ILE   A 1 110 ? -5.887  7.058   17.072  1 30.575 ? 122 ILE   B CA   1 ? 1 
ATOM   1566 C C    . ILE   A 1 110 ? -6.429  5.705   16.617  1 32.829 ? 122 ILE   B C    1 ? 1 
ATOM   1567 O O    . ILE   A 1 110 ? -7.169  5.682   15.662  1 32.583 ? 122 ILE   B O    1 ? 1 
ATOM   1568 C CB   . ILE   A 1 110 ? -7.083  7.882   17.611  1 32.765 ? 122 ILE   B CB   1 ? 1 
ATOM   1569 C CG1  . ILE   A 1 110 ? -6.764  9.364   17.816  1 35.792 ? 122 ILE   B CG1  1 ? 1 
ATOM   1570 C CG2  . ILE   A 1 110 ? -7.542  7.175   18.872  1 30.954 ? 122 ILE   B CG2  1 ? 1 
ATOM   1571 C CD1  . ILE   A 1 110 ? -5.726  9.564   18.909  1 37.759 ? 122 ILE   B CD1  1 ? 1 
ATOM   1572 H H    . ILE   A 1 110 ? -5.646  7.906   15.238  1 36.321 ? 122 ILE   B H    1 c 1 
ATOM   1573 H HA   . ILE   A 1 110 ? -5.261  6.914   17.804  1 32.053 ? 122 ILE   B HA   1 c 1 
ATOM   1574 H HB   . ILE   A 1 110 ? -7.805  7.824   16.956  1 32.654 ? 122 ILE   B HB   1 c 1 
ATOM   1575 H HG12 . ILE   A 1 110 ? -6.429  9.743   16.978  1 36.852 ? 122 ILE   B HG12 1 c 1 
ATOM   1576 H HG13 . ILE   A 1 110 ? -7.585  9.839   18.06   1 34.364 ? 122 ILE   B HG13 1 c 1 
ATOM   1577 H HG21 . ILE   A 1 110 ? -8.048  7.794   19.425  1 29.706 ? 122 ILE   B HG21 1 c 1 
ATOM   1578 H HG22 . ILE   A 1 110 ? -6.772  6.857   19.372  1 31.119 ? 122 ILE   B HG22 1 c 1 
ATOM   1579 H HG23 . ILE   A 1 110 ? -8.108  6.421   18.637  1 31.079 ? 122 ILE   B HG23 1 c 1 
ATOM   1580 H HD11 . ILE   A 1 110 ? -6.128  9.388   19.781  1 35.588 ? 122 ILE   B HD11 1 c 1 
ATOM   1581 H HD12 . ILE   A 1 110 ? -5.408  10.486  18.882  1 37.254 ? 122 ILE   B HD12 1 c 1 
ATOM   1582 H HD13 . ILE   A 1 110 ? -4.972  8.96    18.772  1 37.95  ? 122 ILE   B HD13 1 c 1 
ATOM   1583 N N    . PRO   A 1 111 ? -6.04   4.587   17.248  1 32.618 ? 123 PRO   B N    1 ? 1 
ATOM   1584 C CA   . PRO   A 1 111 ? -6.532  3.271   16.84   1 33.567 ? 123 PRO   B CA   1 ? 1 
ATOM   1585 C C    . PRO   A 1 111 ? -7.915  3.04    17.417  1 29.498 ? 123 PRO   B C    1 ? 1 
ATOM   1586 O O    . PRO   A 1 111 ? -8.333  3.802   18.254  1 30.727 ? 123 PRO   B O    1 ? 1 
ATOM   1587 C CB   . PRO   A 1 111 ? -5.48   2.334   17.345  1 36.99  ? 123 PRO   B CB   1 ? 1 
ATOM   1588 C CG   . PRO   A 1 111 ? -4.846  3.033   18.505  1 40.45  ? 123 PRO   B CG   1 ? 1 
ATOM   1589 C CD   . PRO   A 1 111 ? -5.035  4.524   18.333  1 35.762 ? 123 PRO   B CD   1 ? 1 
ATOM   1590 H HA   . PRO   A 1 111 ? -6.572  3.223   15.861  1 34.927 ? 123 PRO   B HA   1 c 1 
ATOM   1591 H HB2  . PRO   A 1 111 ? -5.876  1.487   17.627  1 37.478 ? 123 PRO   B HB2  1 c 1 
ATOM   1592 H HB3  . PRO   A 1 111 ? -4.818  2.15    16.65   1 39.328 ? 123 PRO   B HB3  1 c 1 
ATOM   1593 H HG2  . PRO   A 1 111 ? -5.259  2.74    19.342  1 37.21  ? 123 PRO   B HG2  1 c 1 
ATOM   1594 H HG3  . PRO   A 1 111 ? -3.892  2.822   18.546  1 39.716 ? 123 PRO   B HG3  1 c 1 
ATOM   1595 H HD2  . PRO   A 1 111 ? -5.375  4.94    19.149  1 33.963 ? 123 PRO   B HD2  1 c 1 
ATOM   1596 H HD3  . PRO   A 1 111 ? -4.203  4.961   18.065  1 36.619 ? 123 PRO   B HD3  1 c 1 
ATOM   1597 N N    . SER   A 1 112 ? -8.549  1.937   16.982  1 32.257 ? 124 SER   B N    1 ? 1 
ATOM   1598 C CA   . SER   A 1 112 ? -9.837  1.547   17.495  1 29.349 ? 124 SER   B CA   1 ? 1 
ATOM   1599 C C    . SER   A 1 112 ? -9.769  1.34    19.015  1 29.57  ? 124 SER   B C    1 ? 1 
ATOM   1600 O O    . SER   A 1 112 ? -8.827  0.728   19.486  1 30.186 ? 124 SER   B O    1 ? 1 
ATOM   1601 C CB   . SER   A 1 112 ? -10.305 0.264   16.717  1 31.299 ? 124 SER   B CB   1 ? 1 
ATOM   1602 O OG   . SER   A 1 112 ? -11.472 -0.251  17.41   1 30.328 ? 124 SER   B OG   1 ? 1 
ATOM   1603 H H    . SER   A 1 112 ? -8.153  1.418   16.342  1 33.096 ? 124 SER   B H    1 c 1 
ATOM   1604 H HA   . SER   A 1 112 ? -10.478 2.279   17.308  1 29.213 ? 124 SER   B HA   1 c 1 
ATOM   1605 H HB2  . SER   A 1 112 ? -10.536 0.498   15.8    1 32.243 ? 124 SER   B HB2  1 c 1 
ATOM   1606 H HB3  . SER   A 1 112 ? -9.594  -0.404  16.713  1 32.482 ? 124 SER   B HB3  1 c 1 
ATOM   1607 H HG   . SER   A 1 112 ? -11.744 -0.946  17.002  0 20     ? 124 SER   B HG   1 c 1 
ATOM   1608 N N    . ASN   A 1 113 ? -10.771 1.78    19.758  1 26.397 ? 125 ASN   B N    1 ? 1 
ATOM   1609 C CA   . ASN   A 1 113 ? -10.923 1.361   21.146  1 30.416 ? 125 ASN   B CA   1 ? 1 
ATOM   1610 C C    . ASN   A 1 113 ? -9.76   1.895   22.037  1 28.103 ? 125 ASN   B C    1 ? 1 
ATOM   1611 O O    . ASN   A 1 113 ? -9.298  1.168   22.954  1 32.643 ? 125 ASN   B O    1 ? 1 
ATOM   1612 C CB   . ASN   A 1 113 ? -11.187 -0.124  21.278  1 31.179 ? 125 ASN   B CB   1 ? 1 
ATOM   1613 C CG   . ASN   A 1 113 ? -12.567 -0.487  20.741  1 33.851 ? 125 ASN   B CG   1 ? 1 
ATOM   1614 O OD1  . ASN   A 1 113 ? -13.45  0.392   20.758  1 40.009 ? 125 ASN   B OD1  1 ? 1 
ATOM   1615 N ND2  . ASN   A 1 113 ? -12.731 -1.726  20.382  1 42.265 ? 125 ASN   B ND2  1 ? 1 
ATOM   1616 H H    . ASN   A 1 113 ? -11.382 2.359   19.4    1 27.347 ? 125 ASN   B H    1 c 1 
ATOM   1617 H HA   . ASN   A 1 113 ? -11.733 1.808   21.479  1 27.992 ? 125 ASN   B HA   1 c 1 
ATOM   1618 H HB2  . ASN   A 1 113 ? -10.507 -0.624  20.786  1 33.105 ? 125 ASN   B HB2  1 c 1 
ATOM   1619 H HB3  . ASN   A 1 113 ? -11.132 -0.38   22.219  1 31.357 ? 125 ASN   B HB3  1 c 1 
ATOM   1620 H HD21 . ASN   A 1 113 ? -13.418 -1.949  19.866  1 40.702 ? 125 ASN   B HD21 1 c 1 
ATOM   1621 H HD22 . ASN   A 1 113 ? -12.16  -2.348  20.654  1 40.657 ? 125 ASN   B HD22 1 c 1 
ATOM   1622 N N    . ALA   A 1 114 ? -9.253  3.085   21.729  1 26.015 ? 126 ALA   B N    1 ? 1 
ATOM   1623 C CA   . ALA   A 1 114 ? -8.134  3.668   22.417  1 28.527 ? 126 ALA   B CA   1 ? 1 
ATOM   1624 C C    . ALA   A 1 114 ? -8.567  4.363   23.721  1 26.982 ? 126 ALA   B C    1 ? 1 
ATOM   1625 O O    . ALA   A 1 114 ? -9.513  5.185   23.731  1 25.742 ? 126 ALA   B O    1 ? 1 
ATOM   1626 C CB   . ALA   A 1 114 ? -7.422  4.627   21.514  1 25.843 ? 126 ALA   B CB   1 ? 1 
ATOM   1627 H H    . ALA   A 1 114 ? -9.639  3.563   21.052  1 26.978 ? 126 ALA   B H    1 c 1 
ATOM   1628 H HA   . ALA   A 1 114 ? -7.505  2.932   22.654  1 28.328 ? 126 ALA   B HA   1 c 1 
ATOM   1629 H HB1  . ALA   A 1 114 ? -7.106  4.159   20.724  1 28.093 ? 126 ALA   B HB1  1 c 1 
ATOM   1630 H HB2  . ALA   A 1 114 ? -8.031  5.336   21.245  1 26.105 ? 126 ALA   B HB2  1 c 1 
ATOM   1631 H HB3  . ALA   A 1 114 ? -6.664  5.016   21.983  1 26.761 ? 126 ALA   B HB3  1 c 1 
ATOM   1632 N N    . THR   A 1 115 ? -7.803  4.098   24.796  1 27.435 ? 127 THR   B N    1 ? 1 
ATOM   1633 C CA   . THR   A 1 115 ? -7.832  4.916   26.005  1 23.226 ? 127 THR   B CA   1 ? 1 
ATOM   1634 C C    . THR   A 1 115 ? -6.771  6.029   25.911  1 25.278 ? 127 THR   B C    1 ? 1 
ATOM   1635 O O    . THR   A 1 115 ? -5.643  5.766   25.531  1 28.258 ? 127 THR   B O    1 ? 1 
ATOM   1636 C CB   . THR   A 1 115 ? -7.637  4.002   27.222  1 28.634 ? 127 THR   B CB   1 ? 1 
ATOM   1637 O OG1  . THR   A 1 115 ? -8.793  3.166   27.319  1 29.497 ? 127 THR   B OG1  1 ? 1 
ATOM   1638 C CG2  . THR   A 1 115 ? -7.577  4.79    28.535  1 29.686 ? 127 THR   B CG2  1 ? 1 
ATOM   1639 H H    . THR   A 1 115 ? -7.244  3.376   24.774  1 27.641 ? 127 THR   B H    1 c 1 
ATOM   1640 H HA   . THR   A 1 115 ? -8.717  5.331   26.072  1 24.13  ? 127 THR   B HA   1 c 1 
ATOM   1641 H HB   . THR   A 1 115 ? -6.828  3.446   27.116  1 29.201 ? 127 THR   B HB   1 c 1 
ATOM   1642 H HG1  . THR   A 1 115 ? -9.494  3.653   27.404  0 20     ? 127 THR   B HG1  1 c 1 
ATOM   1643 H HG21 . THR   A 1 115 ? -7.594  4.171   29.285  1 29.442 ? 127 THR   B HG21 1 c 1 
ATOM   1644 H HG22 . THR   A 1 115 ? -8.341  5.386   28.592  1 28.19  ? 127 THR   B HG22 1 c 1 
ATOM   1645 H HG23 . THR   A 1 115 ? -6.757  5.31    28.566  1 29.399 ? 127 THR   B HG23 1 c 1 
ATOM   1646 N N    . LEU   A 1 116 ? -7.174  7.259   26.27   1 24.364 ? 128 LEU   B N    1 ? 1 
ATOM   1647 C CA   . LEU   A 1 116 ? -6.363  8.476   26.117  1 23.861 ? 128 LEU   B CA   1 ? 1 
ATOM   1648 C C    . LEU   A 1 116 ? -6.07   9.059   27.516  1 25.055 ? 128 LEU   B C    1 ? 1 
ATOM   1649 O O    . LEU   A 1 116 ? -6.937  8.998   28.399  1 23.922 ? 128 LEU   B O    1 ? 1 
ATOM   1650 C CB   . LEU   A 1 116 ? -7.032  9.587   25.303  1 24.133 ? 128 LEU   B CB   1 ? 1 
ATOM   1651 C CG   . LEU   A 1 116 ? -7.61   9.22    23.926  1 33.917 ? 128 LEU   B CG   1 ? 1 
ATOM   1652 C CD1  . LEU   A 1 116 ? -7.996  10.443  23.092  1 31.874 ? 128 LEU   B CD1  1 ? 1 
ATOM   1653 C CD2  . LEU   A 1 116 ? -6.596  8.396   23.227  1 34.864 ? 128 LEU   B CD2  1 ? 1 
ATOM   1654 H H    . LEU   A 1 116 ? -8.006  7.347   26.638  1 23.337 ? 128 LEU   B H    1 c 1 
ATOM   1655 H HA   . LEU   A 1 116 ? -5.503  8.23    25.69   1 25.564 ? 128 LEU   B HA   1 c 1 
ATOM   1656 H HB2  . LEU   A 1 116 ? -7.761  9.965   25.848  1 24.92  ? 128 LEU   B HB2  1 c 1 
ATOM   1657 H HB3  . LEU   A 1 116 ? -6.373  10.307  25.176  1 26.337 ? 128 LEU   B HB3  1 c 1 
ATOM   1658 H HG   . LEU   A 1 116 ? -8.421  8.666   24.065  1 30.842 ? 128 LEU   B HG   1 c 1 
ATOM   1659 H HD11 . LEU   A 1 116 ? -8.621  10.994  23.592  1 31.715 ? 128 LEU   B HD11 1 c 1 
ATOM   1660 H HD12 . LEU   A 1 116 ? -8.414  10.151  22.264  1 32.76  ? 128 LEU   B HD12 1 c 1 
ATOM   1661 H HD13 . LEU   A 1 116 ? -7.2    10.962  22.887  1 33.232 ? 128 LEU   B HD13 1 c 1 
ATOM   1662 H HD21 . LEU   A 1 116 ? -6.636  7.482   23.555  1 34.864 ? 128 LEU   B HD21 1 c 1 
ATOM   1663 H HD22 . LEU   A 1 116 ? -5.71   8.76    23.389  1 35.412 ? 128 LEU   B HD22 1 c 1 
ATOM   1664 H HD23 . LEU   A 1 116 ? -6.776  8.401   22.272  1 35.521 ? 128 LEU   B HD23 1 c 1 
ATOM   1665 N N    . PHE   A 1 117 ? -4.895  9.686   27.619  1 22.775 ? 129 PHE   B N    1 ? 1 
ATOM   1666 C CA   . PHE   A 1 117 ? -4.478  10.4    28.82   1 23.244 ? 129 PHE   B CA   1 ? 1 
ATOM   1667 C C    . PHE   A 1 117 ? -4.122  11.826  28.416  1 24.226 ? 129 PHE   B C    1 ? 1 
ATOM   1668 O O    . PHE   A 1 117 ? -3.411  12.061  27.427  1 26.977 ? 129 PHE   B O    1 ? 1 
ATOM   1669 C CB   . PHE   A 1 117 ? -3.223  9.784   29.388  1 24.404 ? 129 PHE   B CB   1 ? 1 
ATOM   1670 C CG   . PHE   A 1 117 ? -2.59   10.613  30.5    1 28.924 ? 129 PHE   B CG   1 ? 1 
ATOM   1671 C CD1  . PHE   A 1 117 ? -3.063  10.504  31.786  1 27.661 ? 129 PHE   B CD1  1 ? 1 
ATOM   1672 C CD2  . PHE   A 1 117 ? -1.63   11.576  30.223  1 31.744 ? 129 PHE   B CD2  1 ? 1 
ATOM   1673 C CE1  . PHE   A 1 117 ? -2.515  11.208  32.839  1 29.73  ? 129 PHE   B CE1  1 ? 1 
ATOM   1674 C CE2  . PHE   A 1 117 ? -1.161  12.383  31.277  1 34.434 ? 129 PHE   B CE2  1 ? 1 
ATOM   1675 C CZ   . PHE   A 1 117 ? -1.542  12.124  32.585  1 30.506 ? 129 PHE   B CZ   1 ? 1 
ATOM   1676 H H    . PHE   A 1 117 ? -4.324  9.67    26.905  1 24.476 ? 129 PHE   B H    1 c 1 
ATOM   1677 H HA   . PHE   A 1 117 ? -5.203  10.397  29.496  1 22.434 ? 129 PHE   B HA   1 c 1 
ATOM   1678 H HB2  . PHE   A 1 117 ? -3.441  8.893   29.739  1 25.145 ? 129 PHE   B HB2  1 c 1 
ATOM   1679 H HB3  . PHE   A 1 117 ? -2.57   9.675   28.661  1 26.254 ? 129 PHE   B HB3  1 c 1 
ATOM   1680 H HD1  . PHE   A 1 117 ? -3.693  9.828   31.976  1 27.467 ? 129 PHE   B HD1  1 c 1 
ATOM   1681 H HD2  . PHE   A 1 117 ? -1.34   11.723  29.337  1 32.237 ? 129 PHE   B HD2  1 c 1 
ATOM   1682 H HE1  . PHE   A 1 117 ? -2.832  11.076  33.719  1 29.173 ? 129 PHE   B HE1  1 c 1 
ATOM   1683 H HE2  . PHE   A 1 117 ? -0.463  12.997  31.112  1 34.193 ? 129 PHE   B HE2  1 c 1 
ATOM   1684 H HZ   . PHE   A 1 117 ? -1.213  12.665  33.285  1 32.065 ? 129 PHE   B HZ   1 c 1 
ATOM   1685 N N    . PHE   A 1 118 ? -4.611  12.804  29.185  1 25.354 ? 130 PHE   B N    1 ? 1 
ATOM   1686 C CA   . PHE   A 1 118 ? -4.143  14.167  28.981  1 28.3   ? 130 PHE   B CA   1 ? 1 
ATOM   1687 C C    . PHE   A 1 118 ? -3.772  14.845  30.296  1 29.998 ? 130 PHE   B C    1 ? 1 
ATOM   1688 O O    . PHE   A 1 118 ? -4.382  14.592  31.348  1 27.762 ? 130 PHE   B O    1 ? 1 
ATOM   1689 C CB   . PHE   A 1 118 ? -5.231  15.038  28.34   1 26.726 ? 130 PHE   B CB   1 ? 1 
ATOM   1690 C CG   . PHE   A 1 118 ? -5.73   14.708  26.953  1 25.009 ? 130 PHE   B CG   1 ? 1 
ATOM   1691 C CD1  . PHE   A 1 118 ? -6.652  13.671  26.794  1 24.942 ? 130 PHE   B CD1  1 ? 1 
ATOM   1692 C CD2  . PHE   A 1 118 ? -5.243  15.352  25.807  1 26.773 ? 130 PHE   B CD2  1 ? 1 
ATOM   1693 C CE1  . PHE   A 1 118 ? -7.123  13.349  25.55   1 24.628 ? 130 PHE   B CE1  1 ? 1 
ATOM   1694 C CE2  . PHE   A 1 118 ? -5.734  15.025  24.534  1 26.668 ? 130 PHE   B CE2  1 ? 1 
ATOM   1695 C CZ   . PHE   A 1 118 ? -6.676  14.028  24.409  1 26.189 ? 130 PHE   B CZ   1 ? 1 
ATOM   1696 H H    . PHE   A 1 118 ? -5.233  12.629  29.831  1 24.6   ? 130 PHE   B H    1 c 1 
ATOM   1697 H HA   . PHE   A 1 118 ? -3.35   14.153  28.388  1 28.917 ? 130 PHE   B HA   1 c 1 
ATOM   1698 H HB2  . PHE   A 1 118 ? -6.005  15.037  28.946  1 25.74  ? 130 PHE   B HB2  1 c 1 
ATOM   1699 H HB3  . PHE   A 1 118 ? -4.899  15.964  28.327  1 27.367 ? 130 PHE   B HB3  1 c 1 
ATOM   1700 H HD1  . PHE   A 1 118 ? -6.983  13.22   27.554  1 23.982 ? 130 PHE   B HD1  1 c 1 
ATOM   1701 H HD2  . PHE   A 1 118 ? -4.617  16.053  25.9    1 27.592 ? 130 PHE   B HD2  1 c 1 
ATOM   1702 H HE1  . PHE   A 1 118 ? -7.765  12.662  25.461  1 24.197 ? 130 PHE   B HE1  1 c 1 
ATOM   1703 H HE2  . PHE   A 1 118 ? -5.417  15.48   23.771  1 27.916 ? 130 PHE   B HE2  1 c 1 
ATOM   1704 H HZ   . PHE   A 1 118 ? -6.994  13.781  23.555  1 26.179 ? 130 PHE   B HZ   1 c 1 
ATOM   1705 N N    . GLU   A 1 119 ? -2.791  15.747  30.193  1 28.866 ? 131 GLU   B N    1 ? 1 
ATOM   1706 C CA   . GLU   A 1 119 ? -2.609  16.8    31.164  1 27.602 ? 131 GLU   B CA   1 ? 1 
ATOM   1707 C C    . GLU   A 1 119 ? -3.099  18.069  30.503  1 28.794 ? 131 GLU   B C    1 ? 1 
ATOM   1708 O O    . GLU   A 1 119 ? -2.621  18.395  29.401  1 31.493 ? 131 GLU   B O    1 ? 1 
ATOM   1709 C CB   . GLU   A 1 119 ? -1.149  16.867  31.602  1 29.702 ? 131 GLU   B CB   1 ? 1 
ATOM   1710 C CG   . GLU   A 1 119 ? -0.805  17.926  32.635  1 33.016 ? 131 GLU   B CG   1 ? 1 
ATOM   1711 C CD   . GLU   A 1 119 ? 0.601   17.913  33.146  1 32.107 ? 131 GLU   B CD   1 ? 1 
ATOM   1712 O OE1  . GLU   A 1 119 ? 0.945   17.169  34.064  1 35.895 ? 131 GLU   B OE1  1 ? 1 
ATOM   1713 O OE2  . GLU   A 1 119 ? 1.414   18.732  32.62   1 37.294 ? 131 GLU   B OE2  1 ? 1 
ATOM   1714 H H    . GLU   A 1 119 ? -2.211  15.697  29.489  1 29.793 ? 131 GLU   B H    1 c 1 
ATOM   1715 H HA   . GLU   A 1 119 ? -3.173  16.606  31.953  1 27.482 ? 131 GLU   B HA   1 c 1 
ATOM   1716 H HB2  . GLU   A 1 119 ? -0.895  15.994  31.967  1 30.033 ? 131 GLU   B HB2  1 c 1 
ATOM   1717 H HB3  . GLU   A 1 119 ? -0.596  17.026  30.809  1 31.029 ? 131 GLU   B HB3  1 c 1 
ATOM   1718 H HG2  . GLU   A 1 119 ? -0.98   18.81   32.248  1 32.15  ? 131 GLU   B HG2  1 c 1 
ATOM   1719 H HG3  . GLU   A 1 119 ? -1.409  17.824  33.401  1 30.996 ? 131 GLU   B HG3  1 c 1 
ATOM   1720 N N    . ILE   A 1 120 ? -3.963  18.813  31.214  1 30.302 ? 132 ILE   B N    1 ? 1 
ATOM   1721 C CA   . ILE   A 1 120 ? -4.539  20.022  30.68   1 29.355 ? 132 ILE   B CA   1 ? 1 
ATOM   1722 C C    . ILE   A 1 120 ? -4.3    21.157  31.671  1 34.067 ? 132 ILE   B C    1 ? 1 
ATOM   1723 O O    . ILE   A 1 120 ? -4.608  20.999  32.842  1 28.539 ? 132 ILE   B O    1 ? 1 
ATOM   1724 C CB   . ILE   A 1 120 ? -6.059  19.868  30.441  1 28.291 ? 132 ILE   B CB   1 ? 1 
ATOM   1725 C CG1  . ILE   A 1 120 ? -6.319  18.735  29.463  1 26.257 ? 132 ILE   B CG1  1 ? 1 
ATOM   1726 C CG2  . ILE   A 1 120 ? -6.597  21.186  29.886  1 28.683 ? 132 ILE   B CG2  1 ? 1 
ATOM   1727 C CD1  . ILE   A 1 120 ? -7.785  18.337  29.37   1 26.946 ? 132 ILE   B CD1  1 ? 1 
ATOM   1728 H H    . ILE   A 1 120 ? -4.194  18.552  32.058  1 29.098 ? 132 ILE   B H    1 c 1 
ATOM   1729 H HA   . ILE   A 1 120 ? -4.105  20.238  29.833  1 30.99  ? 132 ILE   B HA   1 c 1 
ATOM   1730 H HB   . ILE   A 1 120 ? -6.501  19.668  31.29   1 27.402 ? 132 ILE   B HB   1 c 1 
ATOM   1731 H HG12 . ILE   A 1 120 ? -6.008  19.007  28.575  1 27.555 ? 132 ILE   B HG12 1 c 1 
ATOM   1732 H HG13 . ILE   A 1 120 ? -5.799  17.953  29.736  1 26.685 ? 132 ILE   B HG13 1 c 1 
ATOM   1733 H HG21 . ILE   A 1 120 ? -7.482  21.047  29.51   1 28.135 ? 132 ILE   B HG21 1 c 1 
ATOM   1734 H HG22 . ILE   A 1 120 ? -6.001  21.516  29.192  1 29.804 ? 132 ILE   B HG22 1 c 1 
ATOM   1735 H HG23 . ILE   A 1 120 ? -6.654  21.843  30.6    1 29.555 ? 132 ILE   B HG23 1 c 1 
ATOM   1736 H HD11 . ILE   A 1 120 ? -8.154  18.236  30.269  1 25.945 ? 132 ILE   B HD11 1 c 1 
ATOM   1737 H HD12 . ILE   A 1 120 ? -7.862  17.49   28.892  1 25.68  ? 132 ILE   B HD12 1 c 1 
ATOM   1738 H HD13 . ILE   A 1 120 ? -8.285  19.025  28.891  1 26.669 ? 132 ILE   B HD13 1 c 1 
ATOM   1739 N N    . GLU   A 1 121 ? -3.819  22.29   31.152  1 32.365 ? 133 GLU   B N    1 ? 1 
ATOM   1740 C CA   . GLU   A 1 121 ? -3.827  23.49   31.956  1 33.174 ? 133 GLU   B CA   1 ? 1 
ATOM   1741 C C    . GLU   A 1 121 ? -4.842  24.492  31.422  1 31.643 ? 133 GLU   B C    1 ? 1 
ATOM   1742 O O    . GLU   A 1 121 ? -4.766  24.886  30.22   1 41.97  ? 133 GLU   B O    1 ? 1 
ATOM   1743 C CB   . GLU   A 1 121 ? -2.435  24.12   31.985  1 35.507 ? 133 GLU   B CB   1 ? 1 
ATOM   1744 C CG   . GLU   A 1 121 ? -2.434  25.461  32.683  1 37.747 ? 133 GLU   B CG   1 ? 1 
ATOM   1745 C CD   . GLU   A 1 121 ? -1.071  26.194  32.814  1 40.933 ? 133 GLU   B CD   1 ? 1 
ATOM   1746 O OE1  . GLU   A 1 121 ? -0.04   25.551  32.525  1 45.688 ? 133 GLU   B OE1  1 ? 1 
ATOM   1747 O OE2  . GLU   A 1 121 ? -0.976  27.363  33.24   1 40.564 ? 133 GLU   B OE2  1 ? 1 
ATOM   1748 H H    . GLU   A 1 121 ? -3.486  22.315  30.301  1 33.388 ? 133 GLU   B H    1 c 1 
ATOM   1749 H HA   . GLU   A 1 121 ? -4.075  23.247  32.881  1 32.532 ? 133 GLU   B HA   1 c 1 
ATOM   1750 H HB2  . GLU   A 1 121 ? -1.817  23.51   32.438  1 35.634 ? 133 GLU   B HB2  1 c 1 
ATOM   1751 H HB3  . GLU   A 1 121 ? -2.12   24.236  31.065  1 36.118 ? 133 GLU   B HB3  1 c 1 
ATOM   1752 H HG2  . GLU   A 1 121 ? -3.047  26.06   32.208  1 37.907 ? 133 GLU   B HG2  1 c 1 
ATOM   1753 H HG3  . GLU   A 1 121 ? -2.799  25.341  33.585  1 37.313 ? 133 GLU   B HG3  1 c 1 
ATOM   1754 N N    . LEU   A 1 122 ? -5.787  24.866  32.259  1 35.263 ? 134 LEU   B N    1 ? 1 
ATOM   1755 C CA   . LEU   A 1 122 ? -6.79   25.854  31.802  1 37.557 ? 134 LEU   B CA   1 ? 1 
ATOM   1756 C C    . LEU   A 1 122 ? -6.242  27.287  31.908  1 37.274 ? 134 LEU   B C    1 ? 1 
ATOM   1757 O O    . LEU   A 1 122 ? -6.016  27.771  33.002  1 40.102 ? 134 LEU   B O    1 ? 1 
ATOM   1758 C CB   . LEU   A 1 122 ? -8.107  25.68   32.561  1 36.642 ? 134 LEU   B CB   1 ? 1 
ATOM   1759 C CG   . LEU   A 1 122 ? -9.252  26.665  32.189  1 38.933 ? 134 LEU   B CG   1 ? 1 
ATOM   1760 C CD1  . LEU   A 1 122 ? -9.548  26.574  30.671  1 36.432 ? 134 LEU   B CD1  1 ? 1 
ATOM   1761 C CD2  . LEU   A 1 122 ? -10.46  26.324  33.015  1 39.204 ? 134 LEU   B CD2  1 ? 1 
ATOM   1762 H H    . LEU   A 1 122 ? -5.832  24.529  33.107  1 34.172 ? 134 LEU   B H    1 c 1 
ATOM   1763 H HA   . LEU   A 1 122 ? -6.964  25.675  30.843  1 36.198 ? 134 LEU   B HA   1 c 1 
ATOM   1764 H HB2  . LEU   A 1 122 ? -8.428  24.761  32.41   1 35.275 ? 134 LEU   B HB2  1 c 1 
ATOM   1765 H HB3  . LEU   A 1 122 ? -7.919  25.773  33.524  1 37.384 ? 134 LEU   B HB3  1 c 1 
ATOM   1766 H HG   . LEU   A 1 122 ? -8.964  27.589  32.407  1 40.264 ? 134 LEU   B HG   1 c 1 
ATOM   1767 H HD11 . LEU   A 1 122 ? -8.831  27.002  30.172  1 38.069 ? 134 LEU   B HD11 1 c 1 
ATOM   1768 H HD12 . LEU   A 1 122 ? -10.388 27.022  30.477  1 37.559 ? 134 LEU   B HD12 1 c 1 
ATOM   1769 H HD13 . LEU   A 1 122 ? -9.612  25.64   30.407  1 35.444 ? 134 LEU   B HD13 1 c 1 
ATOM   1770 H HD21 . LEU   A 1 122 ? -10.202 26.228  33.945  1 39.017 ? 134 LEU   B HD21 1 c 1 
ATOM   1771 H HD22 . LEU   A 1 122 ? -10.844 25.489  32.699  1 37.346 ? 134 LEU   B HD22 1 c 1 
ATOM   1772 H HD23 . LEU   A 1 122 ? -11.12  27.033  32.934  1 39.965 ? 134 LEU   B HD23 1 c 1 
ATOM   1773 N N    . LEU   A 1 123 ? -5.978  27.99   30.78   1 40.847 ? 135 LEU   B N    1 ? 1 
ATOM   1774 C CA   . LEU   A 1 123 ? -5.314  29.303  30.801  1 44.826 ? 135 LEU   B CA   1 ? 1 
ATOM   1775 C C    . LEU   A 1 123 ? -6.356  30.396  30.94   1 45.42  ? 135 LEU   B C    1 ? 1 
ATOM   1776 O O    . LEU   A 1 123 ? -6.209  31.335  31.744  1 52.951 ? 135 LEU   B O    1 ? 1 
ATOM   1777 C CB   . LEU   A 1 123 ? -4.526  29.562  29.526  1 44.537 ? 135 LEU   B CB   1 ? 1 
ATOM   1778 C CG   . LEU   A 1 123 ? -3.456  28.521  29.21   1 44.136 ? 135 LEU   B CG   1 ? 1 
ATOM   1779 C CD1  . LEU   A 1 123 ? -2.973  28.644  27.76   1 47.824 ? 135 LEU   B CD1  1 ? 1 
ATOM   1780 C CD2  . LEU   A 1 123 ? -2.348  28.779  30.182  1 50.126 ? 135 LEU   B CD2  1 ? 1 
ATOM   1781 H H    . LEU   A 1 123 ? -6.221  27.638  29.973  1 39.737 ? 135 LEU   B H    1 c 1 
ATOM   1782 H HA   . LEU   A 1 123 ? -4.704  29.341  31.58   1 44.828 ? 135 LEU   B HA   1 c 1 
ATOM   1783 H HB2  . LEU   A 1 123 ? -5.16   29.595  28.773  1 44.672 ? 135 LEU   B HB2  1 c 1 
ATOM   1784 H HB3  . LEU   A 1 123 ? -4.097  30.446  29.6    1 47.307 ? 135 LEU   B HB3  1 c 1 
ATOM   1785 H HG   . LEU   A 1 123 ? -3.826  27.614  29.362  1 43.118 ? 135 LEU   B HG   1 c 1 
ATOM   1786 H HD11 . LEU   A 1 123 ? -3.728  28.539  27.157  1 46.275 ? 135 LEU   B HD11 1 c 1 
ATOM   1787 H HD12 . LEU   A 1 123 ? -2.315  27.952  27.577  1 46.648 ? 135 LEU   B HD12 1 c 1 
ATOM   1788 H HD13 . LEU   A 1 123 ? -2.57   29.517  27.625  1 49.333 ? 135 LEU   B HD13 1 c 1 
ATOM   1789 H HD21 . LEU   A 1 123 ? -2.654  28.594  31.085  1 47.892 ? 135 LEU   B HD21 1 c 1 
ATOM   1790 H HD22 . LEU   A 1 123 ? -2.069  29.708  30.119  1 50.864 ? 135 LEU   B HD22 1 c 1 
ATOM   1791 H HD23 . LEU   A 1 123 ? -1.594  28.202  29.973  1 48.612 ? 135 LEU   B HD23 1 c 1 
ATOM   1792 N N    . ASP   A 1 124 ? -7.45   30.277  30.166  1 45.105 ? 136 ASP   B N    1 ? 1 
ATOM   1793 C CA   . ASP   A 1 124 ? -8.499  31.299  30.268  1 50.767 ? 136 ASP   B CA   1 ? 1 
ATOM   1794 C C    . ASP   A 1 124 ? -9.77   30.788  29.589  1 50.027 ? 136 ASP   B C    1 ? 1 
ATOM   1795 O O    . ASP   A 1 124 ? -9.722  29.825  28.853  1 49.273 ? 136 ASP   B O    1 ? 1 
ATOM   1796 C CB   . ASP   A 1 124 ? -8.046  32.599  29.633  1 55.661 ? 136 ASP   B CB   1 ? 1 
ATOM   1797 C CG   . ASP   A 1 124 ? -8.791  33.866  30.048  1 60.395 ? 136 ASP   B CG   1 ? 1 
ATOM   1798 O OD1  . ASP   A 1 124 ? -9.629  33.82   31      1 53.277 ? 136 ASP   B OD1  1 ? 1 
ATOM   1799 O OD2  . ASP   A 1 124 ? -8.471  34.893  29.45   1 66.411 ? 136 ASP   B OD2  1 ? 1 
ATOM   1800 H H    . ASP   A 1 124 ? -7.543  29.582  29.579  1 44.335 ? 136 ASP   B H    1 c 1 
ATOM   1801 H HA   . ASP   A 1 124 ? -8.691  31.456  31.22   1 50.571 ? 136 ASP   B HA   1 c 1 
ATOM   1802 H HB2  . ASP   A 1 124 ? -7.097  32.74   29.828  1 56.545 ? 136 ASP   B HB2  1 c 1 
ATOM   1803 H HB3  . ASP   A 1 124 ? -8.132  32.511  28.661  1 55.65  ? 136 ASP   B HB3  1 c 1 
ATOM   1804 N N    . PHE   A 1 125 ? -10.895 31.47   29.808  1 49.661 ? 137 PHE   B N    1 ? 1 
ATOM   1805 C CA   . PHE   A 1 125 ? -12.12  31.198  29.075  1 47.353 ? 137 PHE   B CA   1 ? 1 
ATOM   1806 C C    . PHE   A 1 125 ? -12.92  32.486  29.011  1 50.813 ? 137 PHE   B C    1 ? 1 
ATOM   1807 O O    . PHE   A 1 125 ? -12.765 33.369  29.853  1 53.938 ? 137 PHE   B O    1 ? 1 
ATOM   1808 C CB   . PHE   A 1 125 ? -12.974 30.054  29.621  1 45.477 ? 137 PHE   B CB   1 ? 1 
ATOM   1809 C CG   . PHE   A 1 125 ? -13.281 30.075  31.097  1 43.786 ? 137 PHE   B CG   1 ? 1 
ATOM   1810 C CD1  . PHE   A 1 125 ? -12.342 29.643  32.025  1 44.496 ? 137 PHE   B CD1  1 ? 1 
ATOM   1811 C CD2  . PHE   A 1 125 ? -14.516 30.476  31.562  1 48.338 ? 137 PHE   B CD2  1 ? 1 
ATOM   1812 C CE1  . PHE   A 1 125 ? -12.602 29.742  33.38   1 46.318 ? 137 PHE   B CE1  1 ? 1 
ATOM   1813 C CE2  . PHE   A 1 125 ? -14.779 30.554  32.929  1 48.42  ? 137 PHE   B CE2  1 ? 1 
ATOM   1814 C CZ   . PHE   A 1 125 ? -13.828 30.142  33.831  1 51.571 ? 137 PHE   B CZ   1 ? 1 
ATOM   1815 H H    . PHE   A 1 125 ? -10.903 32.123  30.448  1 51.116 ? 137 PHE   B H    1 c 1 
ATOM   1816 H HA   . PHE   A 1 125 ? -11.861 30.959  28.149  1 47.587 ? 137 PHE   B HA   1 c 1 
ATOM   1817 H HB2  . PHE   A 1 125 ? -13.824 30.047  29.127  1 45.087 ? 137 PHE   B HB2  1 c 1 
ATOM   1818 H HB3  . PHE   A 1 125 ? -12.517 29.209  29.412  1 43.157 ? 137 PHE   B HB3  1 c 1 
ATOM   1819 H HD1  . PHE   A 1 125 ? -11.484 29.382  31.73   1 43.925 ? 137 PHE   B HD1  1 c 1 
ATOM   1820 H HD2  . PHE   A 1 125 ? -15.167 30.773  30.946  1 48.226 ? 137 PHE   B HD2  1 c 1 
ATOM   1821 H HE1  . PHE   A 1 125 ? -11.952 29.448  33.999  1 46.457 ? 137 PHE   B HE1  1 c 1 
ATOM   1822 H HE2  . PHE   A 1 125 ? -15.628 30.835  33.231  1 50.398 ? 137 PHE   B HE2  1 c 1 
ATOM   1823 H HZ   . PHE   A 1 125 ? -14.008 30.167  34.756  1 49.983 ? 137 PHE   B HZ   1 c 1 
ATOM   1824 N N    . LYS   A 1 126 ? -13.668 32.659  27.914  1 52.731 ? 138 LYS   B N    1 ? 1 
ATOM   1825 C CA   . LYS   A 1 126 ? -14.374 33.915  27.682  1 55.8   ? 138 LYS   B CA   1 ? 1 
ATOM   1826 C C    . LYS   A 1 126 ? -15.751 33.535  27.146  1 54.83  ? 138 LYS   B C    1 ? 1 
ATOM   1827 O O    . LYS   A 1 126 ? -15.855 32.575  26.392  1 52.297 ? 138 LYS   B O    1 ? 1 
ATOM   1828 C CB   . LYS   A 1 126 ? -13.537 34.826  26.764  1 55.015 ? 138 LYS   B CB   1 ? 1 
ATOM   1829 H H    . LYS   A 1 126 ? -13.741 31.986  27.3    1 50.963 ? 138 LYS   B H    1 c 1 
ATOM   1830 H HA   . LYS   A 1 126 ? -14.495 34.373  28.552  1 56.108 ? 138 LYS   B HA   1 c 1 
ATOM   1831 H HB2  . LYS   A 1 126 ? -12.565 34.636  26.967  0 20     ? 138 LYS   B HB2  1 c 1 
ATOM   1832 H HB3  . LYS   A 1 126 ? -14.107 35.369  26.234  0 20     ? 138 LYS   B HB3  1 c 1 
ATOM   1833 N N    . GLY   A 1 127 ? -16.787 34.329  27.463  1 59.902 ? 139 GLY   B N    1 ? 1 
ATOM   1834 C CA   . GLY   A 1 127 ? -18.159 34.04   27.046  1 59.895 ? 139 GLY   B CA   1 ? 1 
ATOM   1835 C C    . GLY   A 1 127 ? -18.356 34.321  25.559  1 65.557 ? 139 GLY   B C    1 ? 1 
ATOM   1836 O O    . GLY   A 1 127 ? -17.761 35.266  25.076  1 67.885 ? 139 GLY   B O    1 ? 1 
ATOM   1837 H H    . GLY   A 1 127 ? -16.632 35.082  27.957  1 60.947 ? 139 GLY   B H    1 c 1 
ATOM   1838 H HA2  . GLY   A 1 127 ? -18.361 33.095  27.234  1 58.463 ? 139 GLY   B HA2  1 c 1 
ATOM   1839 H HA3  . GLY   A 1 127 ? -18.781 34.595  27.572  1 62.602 ? 139 GLY   B HA3  1 c 1 
ATOM   1840 N N    . GLU   A 1 128 ? -19.118 33.484  24.83   1 68.063 ? 140 GLU   B N    1 ? 1 
ATOM   1841 C CA   . GLU   A 1 128 ? -19.539 33.797  23.47   1 71.723 ? 140 GLU   B CA   1 ? 1 
ATOM   1842 C C    . GLU   A 1 128 ? -20.097 35.225  23.564  1 80.854 ? 140 GLU   B C    1 ? 1 
ATOM   1843 O O    . GLU   A 1 128 ? -20.831 35.446  24.533  1 92.344 ? 140 GLU   B O    1 ? 1 
ATOM   1844 C CB   . GLU   A 1 128 ? -20.507 32.765  22.871  1 62.333 ? 140 GLU   B CB   1 ? 1 
ATOM   1845 O OXT  . GLU   A 1 128 ? -19.652 36.091  22.794  1 84.015 ? 140 GLU   B OXT  1 ? 1 
ATOM   1846 H H    . GLU   A 1 128 ? -19.381 32.69   25.199  1 65.372 ? 140 GLU   B H    1 c 1 
ATOM   1847 H HA   . GLU   A 1 128 ? -18.729 33.82   22.899  1 70.402 ? 140 GLU   B HA   1 c 1 
ATOM   1848 H HB2  . GLU   A 1 128 ? -19.844 32.109  22.402  0 20     ? 140 GLU   B HB2  1 c 1 
ATOM   1849 H HB3  . GLU   A 1 128 ? -21.336 33.047  22.987  0 20     ? 140 GLU   B HB3  1 c 1 
ATOM   1850 N N    . GLY   B 1 1   ? -15.023 -14.287 -5.836  1 62.934 ? 13  GLY   A N    1 ? 2 
ATOM   1851 C CA   . GLY   B 1 1   ? -16.339 -13.628 -5.742  1 59.774 ? 13  GLY   A CA   1 ? 2 
ATOM   1852 C C    . GLY   B 1 1   ? -16.255 -12.114 -5.717  1 54.679 ? 13  GLY   A C    1 ? 2 
ATOM   1853 O O    . GLY   B 1 1   ? -15.425 -11.496 -6.363  1 54.269 ? 13  GLY   A O    1 ? 2 
ATOM   1854 H H1   . GLY   B 1 1   ? -15.117 -15.181 -5.737  1 63.934 ? 13  GLY   A H1   1 c 2 
ATOM   1855 H H2   . GLY   B 1 1   ? -14.473 -13.976 -5.188  1 60.168 ? 13  GLY   A H2   1 c 2 
ATOM   1856 H H3   . GLY   B 1 1   ? -14.65  -14.119 -6.643  1 63.541 ? 13  GLY   A H3   1 c 2 
ATOM   1857 H HA2  . GLY   B 1 1   ? -16.886 -13.906 -6.512  1 62.192 ? 13  GLY   A HA2  1 c 2 
ATOM   1858 H HA3  . GLY   B 1 1   ? -16.791 -13.943 -4.924  1 58.954 ? 13  GLY   A HA3  1 c 2 
ATOM   1859 N N    . ALA   B 1 2   ? -17.155 -11.518 -4.959  1 53.729 ? 14  ALA   A N    1 ? 2 
ATOM   1860 C CA   . ALA   B 1 2   ? -17.327 -10.085 -5.03   1 50.484 ? 14  ALA   A CA   1 ? 2 
ATOM   1861 C C    . ALA   B 1 2   ? -16.034 -9.351  -4.665  1 47.501 ? 14  ALA   A C    1 ? 2 
ATOM   1862 O O    . ALA   B 1 2   ? -15.677 -8.362  -5.347  1 47.396 ? 14  ALA   A O    1 ? 2 
ATOM   1863 C CB   . ALA   B 1 2   ? -18.468 -9.714  -4.147  1 49.606 ? 14  ALA   A CB   1 ? 2 
ATOM   1864 H H    . ALA   B 1 2   ? -17.676 -12.007 -4.389  1 53.339 ? 14  ALA   A H    1 c 2 
ATOM   1865 H HA   . ALA   B 1 2   ? -17.559 -9.849  -5.97   1 52.247 ? 14  ALA   A HA   1 c 2 
ATOM   1866 H HB1  . ALA   B 1 2   ? -19.306 -9.935  -4.587  1 51.18  ? 14  ALA   A HB1  1 c 2 
ATOM   1867 H HB2  . ALA   B 1 2   ? -18.412 -10.2   -3.308  1 48.734 ? 14  ALA   A HB2  1 c 2 
ATOM   1868 H HB3  . ALA   B 1 2   ? -18.444 -8.759  -3.966  1 47.643 ? 14  ALA   A HB3  1 c 2 
ATOM   1869 N N    . PRO   B 1 3   ? -15.32  -9.746  -3.597  1 44.365 ? 15  PRO   A N    1 ? 2 
ATOM   1870 C CA   . PRO   B 1 3   ? -14.087 -9.041  -3.252  1 41.912 ? 15  PRO   A CA   1 ? 2 
ATOM   1871 C C    . PRO   B 1 3   ? -13.053 -9.109  -4.38   1 42.599 ? 15  PRO   A C    1 ? 2 
ATOM   1872 O O    . PRO   B 1 3   ? -12.395 -8.106  -4.687  1 43.374 ? 15  PRO   A O    1 ? 2 
ATOM   1873 C CB   . PRO   B 1 3   ? -13.66  -9.674  -1.938  1 43.582 ? 15  PRO   A CB   1 ? 2 
ATOM   1874 C CG   . PRO   B 1 3   ? -14.948 -10.284 -1.328  1 41.991 ? 15  PRO   A CG   1 ? 2 
ATOM   1875 C CD   . PRO   B 1 3   ? -15.763 -10.678 -2.535  1 47.008 ? 15  PRO   A CD   1 ? 2 
ATOM   1876 H HA   . PRO   B 1 3   ? -14.301 -8.1    -3.083  1 40.759 ? 15  PRO   A HA   1 c 2 
ATOM   1877 H HB2  . PRO   B 1 3   ? -12.99  -10.368 -2.09   1 43.745 ? 15  PRO   A HB2  1 c 2 
ATOM   1878 H HB3  . PRO   B 1 3   ? -13.28  -9.003  -1.339  1 40.725 ? 15  PRO   A HB3  1 c 2 
ATOM   1879 H HG2  . PRO   B 1 3   ? -14.742 -11.065 -0.777  1 43.32  ? 15  PRO   A HG2  1 c 2 
ATOM   1880 H HG3  . PRO   B 1 3   ? -15.427 -9.626  -0.785  1 41.333 ? 15  PRO   A HG3  1 c 2 
ATOM   1881 H HD2  . PRO   B 1 3   ? -15.583 -11.603 -2.793  1 47.74  ? 15  PRO   A HD2  1 c 2 
ATOM   1882 H HD3  . PRO   B 1 3   ? -16.713 -10.575 -2.358  1 45.768 ? 15  PRO   A HD3  1 c 2 
ATOM   1883 N N    . ALA   B 1 4   ? -12.867 -10.281 -4.966  1 44.742 ? 16  ALA   A N    1 ? 2 
ATOM   1884 C CA   . ALA   B 1 4   ? -11.924 -10.435 -6.064  1 47.821 ? 16  ALA   A CA   1 ? 2 
ATOM   1885 C C    . ALA   B 1 4   ? -12.272 -9.521  -7.231  1 52.328 ? 16  ALA   A C    1 ? 2 
ATOM   1886 O O    . ALA   B 1 4   ? -11.389 -9.003  -7.917  1 59.665 ? 16  ALA   A O    1 ? 2 
ATOM   1887 C CB   . ALA   B 1 4   ? -11.867 -11.889 -6.532  1 52.896 ? 16  ALA   A CB   1 ? 2 
ATOM   1888 H H    . ALA   B 1 4   ? -13.332 -11.012 -4.676  1 45.67  ? 16  ALA   A H    1 c 2 
ATOM   1889 H HA   . ALA   B 1 4   ? -11.023 -10.173 -5.732  1 47.909 ? 16  ALA   A HA   1 c 2 
ATOM   1890 H HB1  . ALA   B 1 4   ? -11.575 -12.457 -5.8    1 51.924 ? 16  ALA   A HB1  1 c 2 
ATOM   1891 H HB2  . ALA   B 1 4   ? -12.749 -12.172 -6.826  1 53.406 ? 16  ALA   A HB2  1 c 2 
ATOM   1892 H HB3  . ALA   B 1 4   ? -11.24  -11.97  -7.271  1 54.295 ? 16  ALA   A HB3  1 c 2 
ATOM   1893 N N    . THR   B 1 5   ? -13.569 -9.388  -7.527  1 51.526 ? 17  THR   A N    1 ? 2 
ATOM   1894 C CA   . THR   B 1 5   ? -13.977 -8.584  -8.652  1 51.864 ? 17  THR   A CA   1 ? 2 
ATOM   1895 C C    . THR   B 1 5   ? -13.581 -7.124  -8.38   1 48.654 ? 17  THR   A C    1 ? 2 
ATOM   1896 O O    . THR   B 1 5   ? -13.227 -6.375  -9.298  1 50.755 ? 17  THR   A O    1 ? 2 
ATOM   1897 C CB   . THR   B 1 5   ? -15.479 -8.74   -8.917  1 57.633 ? 17  THR   A CB   1 ? 2 
ATOM   1898 O OG1  . THR   B 1 5   ? -15.714 -10.076 -9.352  1 62.128 ? 17  THR   A OG1  1 ? 2 
ATOM   1899 C CG2  . THR   B 1 5   ? -15.965 -7.843  -10.039 1 58.27  ? 17  THR   A CG2  1 ? 2 
ATOM   1900 H H    . THR   B 1 5   ? -14.204 -9.81   -7.023  1 51.125 ? 17  THR   A H    1 c 2 
ATOM   1901 H HA   . THR   B 1 5   ? -13.49  -8.897  -9.446  1 55.159 ? 17  THR   A HA   1 c 2 
ATOM   1902 H HB   . THR   B 1 5   ? -15.993 -8.562  -8.094  1 54.76  ? 17  THR   A HB   1 c 2 
ATOM   1903 H HG1  . THR   B 1 5   ? -15.282 -10.256 -10.043 0 20     ? 17  THR   A HG1  1 c 2 
ATOM   1904 H HG21 . THR   B 1 5   ? -16.83  -8.156  -10.353 1 60.094 ? 17  THR   A HG21 1 c 2 
ATOM   1905 H HG22 . THR   B 1 5   ? -15.327 -7.866  -10.773 1 60.266 ? 17  THR   A HG22 1 c 2 
ATOM   1906 H HG23 . THR   B 1 5   ? -16.051 -6.932  -9.714  1 56.441 ? 17  THR   A HG23 1 c 2 
ATOM   1907 N N    . VAL   B 1 6   ? -13.647 -6.711  -7.147  1 47.49  ? 18  VAL   A N    1 ? 2 
ATOM   1908 C CA   . VAL   B 1 6   ? -13.324 -5.337  -6.809  1 41.254 ? 18  VAL   A CA   1 ? 2 
ATOM   1909 C C    . VAL   B 1 6   ? -11.824 -5.117  -6.947  1 46.835 ? 18  VAL   A C    1 ? 2 
ATOM   1910 O O    . VAL   B 1 6   ? -11.407 -4.093  -7.508  1 47.587 ? 18  VAL   A O    1 ? 2 
ATOM   1911 C CB   . VAL   B 1 6   ? -13.857 -4.943  -5.433  1 40.037 ? 18  VAL   A CB   1 ? 2 
ATOM   1912 C CG1  . VAL   B 1 6   ? -13.507 -3.499  -5.177  1 37.244 ? 18  VAL   A CG1  1 ? 2 
ATOM   1913 C CG2  . VAL   B 1 6   ? -15.372 -5.216  -5.322  1 40.221 ? 18  VAL   A CG2  1 ? 2 
ATOM   1914 H H    . VAL   B 1 6   ? -13.901 -7.285  -6.483  1 45.4   ? 18  VAL   A H    1 c 2 
ATOM   1915 H HA   . VAL   B 1 6   ? -13.764 -4.763  -7.463  1 43.976 ? 18  VAL   A HA   1 c 2 
ATOM   1916 H HB   . VAL   B 1 6   ? -13.39  -5.499  -4.766  1 38.893 ? 18  VAL   A HB   1 c 2 
ATOM   1917 H HG11 . VAL   B 1 6   ? -13.649 -2.98   -5.986  1 38.549 ? 18  VAL   A HG11 1 c 2 
ATOM   1918 H HG12 . VAL   B 1 6   ? -12.575 -3.433  -4.909  1 37.176 ? 18  VAL   A HG12 1 c 2 
ATOM   1919 H HG13 . VAL   B 1 6   ? -14.071 -3.15   -4.466  1 36.008 ? 18  VAL   A HG13 1 c 2 
ATOM   1920 H HG21 . VAL   B 1 6   ? -15.708 -4.848  -4.487  1 38.459 ? 18  VAL   A HG21 1 c 2 
ATOM   1921 H HG22 . VAL   B 1 6   ? -15.534 -6.171  -5.34   1 41.405 ? 18  VAL   A HG22 1 c 2 
ATOM   1922 H HG23 . VAL   B 1 6   ? -15.834 -4.797  -6.068  1 41.269 ? 18  VAL   A HG23 1 c 2 
ATOM   1923 N N    . THR   B 1 7   ? -11.015 -6.064  -6.473  1 47.691 ? 19  THR   A N    1 ? 2 
ATOM   1924 C CA   . THR   B 1 7   ? -9.576  -6.023  -6.697  1 53.933 ? 19  THR   A CA   1 ? 2 
ATOM   1925 C C    . THR   B 1 7   ? -9.262  -5.729  -8.17   1 59.5   ? 19  THR   A C    1 ? 2 
ATOM   1926 O O    . THR   B 1 7   ? -8.434  -4.88   -8.466  1 62.336 ? 19  THR   A O    1 ? 2 
ATOM   1927 C CB   . THR   B 1 7   ? -8.918  -7.339  -6.287  1 56.978 ? 19  THR   A CB   1 ? 2 
ATOM   1928 O OG1  . THR   B 1 7   ? -9.1    -7.463  -4.889  1 46.574 ? 19  THR   A OG1  1 ? 2 
ATOM   1929 C CG2  . THR   B 1 7   ? -7.422  -7.377  -6.547  1 58.602 ? 19  THR   A CG2  1 ? 2 
ATOM   1930 H H    . THR   B 1 7   ? -11.366 -6.755  -5.989  1 48.306 ? 19  THR   A H    1 c 2 
ATOM   1931 H HA   . THR   B 1 7   ? -9.2    -5.302  -6.146  1 52.012 ? 19  THR   A HA   1 c 2 
ATOM   1932 H HB   . THR   B 1 7   ? -9.353  -8.096  -6.746  1 56.526 ? 19  THR   A HB   1 c 2 
ATOM   1933 H HG1  . THR   B 1 7   ? -8.718  -6.805  -4.478  0 20     ? 19  THR   A HG1  1 c 2 
ATOM   1934 H HG21 . THR   B 1 7   ? -7.013  -8.063  -5.992  1 58.669 ? 19  THR   A HG21 1 c 2 
ATOM   1935 H HG22 . THR   B 1 7   ? -7.032  -6.513  -6.332  1 57.551 ? 19  THR   A HG22 1 c 2 
ATOM   1936 H HG23 . THR   B 1 7   ? -7.259  -7.581  -7.484  1 61.003 ? 19  THR   A HG23 1 c 2 
ATOM   1937 N N    . GLU   B 1 8   ? -9.905  -6.404  -9.11   1 60.149 ? 20  GLU   A N    1 ? 2 
ATOM   1938 C CA   . GLU   B 1 8   ? -9.441  -6.279  -10.489 1 66.36  ? 20  GLU   A CA   1 ? 2 
ATOM   1939 C C    . GLU   B 1 8   ? -10.298 -5.275  -11.295 1 63.604 ? 20  GLU   A C    1 ? 2 
ATOM   1940 O O    . GLU   B 1 8   ? -9.879  -4.863  -12.356 1 68.048 ? 20  GLU   A O    1 ? 2 
ATOM   1941 C CB   . GLU   B 1 8   ? -9.158  -7.698  -10.989 1 63.682 ? 20  GLU   A CB   1 ? 2 
ATOM   1942 H H    . GLU   B 1 8   ? -10.621 -6.937  -8.911  1 60.814 ? 20  GLU   A H    1 c 2 
ATOM   1943 H HA   . GLU   B 1 8   ? -8.538  -5.876  -10.45  1 64.121 ? 20  GLU   A HA   1 c 2 
ATOM   1944 H HB2  . GLU   B 1 8   ? -8.155  -7.829  -11.075 0 20     ? 20  GLU   A HB2  1 c 2 
ATOM   1945 H HB3  . GLU   B 1 8   ? -9.984  -8.126  -11.188 0 20     ? 20  GLU   A HB3  1 c 2 
ATOM   1946 N N    . GLN   B 1 9   ? -11.515 -4.906  -10.865 1 53.992 ? 21  GLN   A N    1 ? 2 
ATOM   1947 C CA   . GLN   B 1 9   ? -12.387 -3.994  -11.611 1 56.42  ? 21  GLN   A CA   1 ? 2 
ATOM   1948 C C    . GLN   B 1 9   ? -12.604 -2.657  -10.88  1 50.048 ? 21  GLN   A C    1 ? 2 
ATOM   1949 O O    . GLN   B 1 9   ? -13.059 -1.709  -11.516 1 53.188 ? 21  GLN   A O    1 ? 2 
ATOM   1950 C CB   . GLN   B 1 9   ? -13.778 -4.559  -11.906 1 59.955 ? 21  GLN   A CB   1 ? 2 
ATOM   1951 H H    . GLN   B 1 9   ? -11.825 -5.254  -10.079 1 54.329 ? 21  GLN   A H    1 c 2 
ATOM   1952 H HA   . GLN   B 1 9   ? -11.956 -3.798  -12.481 1 58.221 ? 21  GLN   A HA   1 c 2 
ATOM   1953 H HB2  . GLN   B 1 9   ? -13.613 -5.398  -12.425 0 20     ? 21  GLN   A HB2  1 c 2 
ATOM   1954 H HB3  . GLN   B 1 9   ? -14.391 -3.937  -11.584 0 20     ? 21  GLN   A HB3  1 c 2 
ATOM   1955 N N    . GLY   B 1 10  ? -12.355 -2.632  -9.555  1 45.289 ? 22  GLY   A N    1 ? 2 
ATOM   1956 C CA   . GLY   B 1 10  ? -12.774 -1.549  -8.672  1 43.221 ? 22  GLY   A CA   1 ? 2 
ATOM   1957 C C    . GLY   B 1 10  ? -12.061 -0.243  -9.016  1 43.972 ? 22  GLY   A C    1 ? 2 
ATOM   1958 O O    . GLY   B 1 10  ? -10.9   -0.324  -9.359  1 47.652 ? 22  GLY   A O    1 ? 2 
ATOM   1959 H H    . GLY   B 1 10  ? -11.888 -3.325  -9.186  1 45.861 ? 22  GLY   A H    1 c 2 
ATOM   1960 H HA2  . GLY   B 1 10  ? -13.748 -1.426  -8.753  1 43.075 ? 22  GLY   A HA2  1 c 2 
ATOM   1961 H HA3  . GLY   B 1 10  ? -12.576 -1.797  -7.739  1 41.413 ? 22  GLY   A HA3  1 c 2 
ATOM   1962 N N    . GLU   B 1 11  ? -12.782 0.901   -8.935  1 40.625 ? 23  GLU   A N    1 ? 2 
ATOM   1963 C CA   . GLU   B 1 11  ? -12.214 2.246   -9.064  1 40.053 ? 23  GLU   A CA   1 ? 2 
ATOM   1964 C C    . GLU   B 1 11  ? -11.484 2.648   -7.782  1 34.668 ? 23  GLU   A C    1 ? 2 
ATOM   1965 O O    . GLU   B 1 11  ? -11.989 2.437   -6.697  1 30.85  ? 23  GLU   A O    1 ? 2 
ATOM   1966 C CB   . GLU   B 1 11  ? -13.251 3.323   -9.422  1 42.22  ? 23  GLU   A CB   1 ? 2 
ATOM   1967 H H    . GLU   B 1 11  ? -13.681 0.829   -8.788  1 40.582 ? 23  GLU   A H    1 c 2 
ATOM   1968 H HA   . GLU   B 1 11  ? -11.55  2.222   -9.799  1 41.834 ? 23  GLU   A HA   1 c 2 
ATOM   1969 H HB2  . GLU   B 1 11  ? -12.784 4.139   -9.704  0 20     ? 23  GLU   A HB2  1 c 2 
ATOM   1970 H HB3  . GLU   B 1 11  ? -14.151 2.949   -9.299  0 20     ? 23  GLU   A HB3  1 c 2 
ATOM   1971 N N    . ASP   B 1 12  ? -10.277 3.207   -7.913  1 36.699 ? 24  ASP   A N    1 ? 2 
ATOM   1972 C CA   . ASP   B 1 12  ? -9.558  3.666   -6.728  1 32.232 ? 24  ASP   A CA   1 ? 2 
ATOM   1973 C C    . ASP   B 1 12  ? -10.008 5.076   -6.359  1 32.029 ? 24  ASP   A C    1 ? 2 
ATOM   1974 O O    . ASP   B 1 12  ? -9.807  6.002   -7.149  1 34.897 ? 24  ASP   A O    1 ? 2 
ATOM   1975 C CB   . ASP   B 1 12  ? -8.082  3.735   -7.013  1 37.631 ? 24  ASP   A CB   1 ? 2 
ATOM   1976 C CG   . ASP   B 1 12  ? -7.202  4.099   -5.816  1 33.285 ? 24  ASP   A CG   1 ? 2 
ATOM   1977 O OD1  . ASP   B 1 12  ? -7.731  4.537   -4.775  1 35.113 ? 24  ASP   A OD1  1 ? 2 
ATOM   1978 O OD2  . ASP   B 1 12  ? -5.943  4.104   -6.056  1 35.422 ? 24  ASP   A OD2  1 ? 2 
ATOM   1979 H H    . ASP   B 1 12  ? -9.897  3.306   -8.738  1 37.758 ? 24  ASP   A H    1 c 2 
ATOM   1980 H HA   . ASP   B 1 12  ? -9.732  3.052   -5.98   1 32.144 ? 24  ASP   A HA   1 c 2 
ATOM   1981 H HB2  . ASP   B 1 12  ? -7.791  2.859   -7.343  1 36.994 ? 24  ASP   A HB2  1 c 2 
ATOM   1982 H HB3  . ASP   B 1 12  ? -7.919  4.388   -7.725  1 37.49  ? 24  ASP   A HB3  1 c 2 
ATOM   1983 N N    . ILE   B 1 13  ? -10.705 5.166   -5.217  1 32.32  ? 25  ILE   A N    1 ? 2 
ATOM   1984 C CA   . ILE   B 1 13  ? -11.361 6.44    -4.933  1 32.214 ? 25  ILE   A CA   1 ? 2 
ATOM   1985 C C    . ILE   B 1 13  ? -10.604 7.172   -3.835  1 34.163 ? 25  ILE   A C    1 ? 2 
ATOM   1986 O O    . ILE   B 1 13  ? -11.128 8.197   -3.337  1 36.255 ? 25  ILE   A O    1 ? 2 
ATOM   1987 C CB   . ILE   B 1 13  ? -12.832 6.216   -4.52   1 33.028 ? 25  ILE   A CB   1 ? 2 
ATOM   1988 C CG1  . ILE   B 1 13  ? -12.954 5.326   -3.327  1 31.454 ? 25  ILE   A CG1  1 ? 2 
ATOM   1989 C CG2  . ILE   B 1 13  ? -13.644 5.683   -5.69   1 38.662 ? 25  ILE   A CG2  1 ? 2 
ATOM   1990 C CD1  . ILE   B 1 13  ? -14.296 5.327   -2.644  1 30.664 ? 25  ILE   A CD1  1 ? 2 
ATOM   1991 H H    . ILE   B 1 13  ? -10.761 4.47    -4.627  1 30.777 ? 25  ILE   A H    1 c 2 
ATOM   1992 H HA   . ILE   B 1 13  ? -11.349 6.99    -5.741  1 34.359 ? 25  ILE   A HA   1 c 2 
ATOM   1993 H HB   . ILE   B 1 13  ? -13.206 7.086   -4.275  1 33.111 ? 25  ILE   A HB   1 c 2 
ATOM   1994 H HG12 . ILE   B 1 13  ? -12.754 4.409   -3.606  1 31.793 ? 25  ILE   A HG12 1 c 2 
ATOM   1995 H HG13 . ILE   B 1 13  ? -12.276 5.588   -2.672  1 30.897 ? 25  ILE   A HG13 1 c 2 
ATOM   1996 H HG21 . ILE   B 1 13  ? -14.589 5.687   -5.461  1 36.81  ? 25  ILE   A HG21 1 c 2 
ATOM   1997 H HG22 . ILE   B 1 13  ? -13.366 4.774   -5.893  1 37.688 ? 25  ILE   A HG22 1 c 2 
ATOM   1998 H HG23 . ILE   B 1 13  ? -13.5   6.245   -6.47   1 38.713 ? 25  ILE   A HG23 1 c 2 
ATOM   1999 H HD11 . ILE   B 1 13  ? -14.597 6.247   -2.522  1 30.507 ? 25  ILE   A HD11 1 c 2 
ATOM   2000 H HD12 . ILE   B 1 13  ? -14.224 4.892   -1.773  1 29.515 ? 25  ILE   A HD12 1 c 2 
ATOM   2001 H HD13 . ILE   B 1 13  ? -14.943 4.845   -3.194  1 31.168 ? 25  ILE   A HD13 1 c 2 
ATOM   2002 N N    . THR   B 1 14  ? -9.376  6.739   -3.524  1 32.014 ? 26  THR   A N    1 ? 2 
ATOM   2003 C CA   . THR   B 1 14  ? -8.514  7.476   -2.623  1 30.775 ? 26  THR   A CA   1 ? 2 
ATOM   2004 C C    . THR   B 1 14  ? -7.924  8.703   -3.302  1 34.444 ? 26  THR   A C    1 ? 2 
ATOM   2005 O O    . THR   B 1 14  ? -7.595  8.662   -4.494  1 35.594 ? 26  THR   A O    1 ? 2 
ATOM   2006 C CB   . THR   B 1 14  ? -7.398  6.605   -2.029  1 30.606 ? 26  THR   A CB   1 ? 2 
ATOM   2007 O OG1  . THR   B 1 14  ? -6.523  6.191   -3.09   1 32.703 ? 26  THR   A OG1  1 ? 2 
ATOM   2008 C CG2  . THR   B 1 14  ? -7.989  5.458   -1.267  1 30.515 ? 26  THR   A CG2  1 ? 2 
ATOM   2009 H H    . THR   B 1 14  ? -9.066  5.959   -3.885  1 32.779 ? 26  THR   A H    1 c 2 
ATOM   2010 H HA   . THR   B 1 14  ? -9.07   7.786   -1.876  1 30.105 ? 26  THR   A HA   1 c 2 
ATOM   2011 H HB   . THR   B 1 14  ? -6.881  7.152   -1.392  1 31.139 ? 26  THR   A HB   1 c 2 
ATOM   2012 H HG1  . THR   B 1 14  ? -6.981  5.73    -3.669  0 20     ? 26  THR   A HG1  1 c 2 
ATOM   2013 H HG21 . THR   B 1 14  ? -7.279  4.958   -0.83   1 30.133 ? 26  THR   A HG21 1 c 2 
ATOM   2014 H HG22 . THR   B 1 14  ? -8.467  4.873   -1.878  1 30.091 ? 26  THR   A HG22 1 c 2 
ATOM   2015 H HG23 . THR   B 1 14  ? -8.605  5.797   -0.596  1 28.813 ? 26  THR   A HG23 1 c 2 
ATOM   2016 N N    . SER   B 1 15  ? -7.763  9.793   -2.525  1 38.128 ? 27  SER   A N    1 ? 2 
ATOM   2017 C CA   . SER   B 1 15  ? -6.99   10.947  -3.013  1 41.731 ? 27  SER   A CA   1 ? 2 
ATOM   2018 C C    . SER   B 1 15  ? -5.547  10.608  -3.331  1 40.408 ? 27  SER   A C    1 ? 2 
ATOM   2019 O O    . SER   B 1 15  ? -4.971  11.081  -4.344  1 45.578 ? 27  SER   A O    1 ? 2 
ATOM   2020 C CB   . SER   B 1 15  ? -7.077  12.096  -1.987  1 42.724 ? 27  SER   A CB   1 ? 2 
ATOM   2021 O OG   . SER   B 1 15  ? -8.452  12.454  -1.834  1 45.701 ? 27  SER   A OG   1 ? 2 
ATOM   2022 H H    . SER   B 1 15  ? -8.133  9.823   -1.69   1 36.091 ? 27  SER   A H    1 c 2 
ATOM   2023 H HA   . SER   B 1 15  ? -7.416  11.257  -3.852  1 41.77  ? 27  SER   A HA   1 c 2 
ATOM   2024 H HB2  . SER   B 1 15  ? -6.712  11.804  -1.131  1 42.773 ? 27  SER   A HB2  1 c 2 
ATOM   2025 H HB3  . SER   B 1 15  ? -6.567  12.864  -2.306  1 45.149 ? 27  SER   A HB3  1 c 2 
ATOM   2026 H HG   . SER   B 1 15  ? -8.514  13.086  -1.315  0 20     ? 27  SER   A HG   1 c 2 
ATOM   2027 N N    . LYS   B 1 16  ? -4.926  9.8     -2.469  1 38.231 ? 28  LYS   A N    1 ? 2 
ATOM   2028 C CA   . LYS   B 1 16  ? -3.542  9.428   -2.725  1 43.213 ? 28  LYS   A CA   1 ? 2 
ATOM   2029 C C    . LYS   B 1 16  ? -3.355  8.394   -3.824  1 43.553 ? 28  LYS   A C    1 ? 2 
ATOM   2030 O O    . LYS   B 1 16  ? -2.219  8.13    -4.206  1 44.05  ? 28  LYS   A O    1 ? 2 
ATOM   2031 C CB   . LYS   B 1 16  ? -2.874  8.802   -1.512  1 44.624 ? 28  LYS   A CB   1 ? 2 
ATOM   2032 C CG   . LYS   B 1 16  ? -2.762  9.689   -0.284  1 50.609 ? 28  LYS   A CG   1 ? 2 
ATOM   2033 C CD   . LYS   B 1 16  ? -2.008  8.806   0.712   1 61.606 ? 28  LYS   A CD   1 ? 2 
ATOM   2034 C CE   . LYS   B 1 16  ? -2.531  8.856   2.112   1 60.537 ? 28  LYS   A CE   1 ? 2 
ATOM   2035 N NZ   . LYS   B 1 16  ? -1.953  10.056  2.738   1 67.353 ? 28  LYS   A NZ   1 ? 2 
ATOM   2036 H H    . LYS   B 1 16  ? -5.353  9.484   -1.725  1 37.565 ? 28  LYS   A H    1 c 2 
ATOM   2037 H HA   . LYS   B 1 16  ? -3.039  10.246  -2.971  1 44.64  ? 28  LYS   A HA   1 c 2 
ATOM   2038 H HB2  . LYS   B 1 16  ? -3.379  7.997   -1.265  1 43.953 ? 28  LYS   A HB2  1 c 2 
ATOM   2039 H HB3  . LYS   B 1 16  ? -1.97   8.517   -1.766  1 47.265 ? 28  LYS   A HB3  1 c 2 
ATOM   2040 H HG2  . LYS   B 1 16  ? -2.246  10.498  -0.492  1 52.944 ? 28  LYS   A HG2  1 c 2 
ATOM   2041 H HG3  . LYS   B 1 16  ? -3.652  9.922   0.056   1 49.642 ? 28  LYS   A HG3  1 c 2 
ATOM   2042 H HD2  . LYS   B 1 16  ? -2.036  7.874   0.404   1 58.095 ? 28  LYS   A HD2  1 c 2 
ATOM   2043 H HD3  . LYS   B 1 16  ? -1.065  9.079   0.717   1 60.953 ? 28  LYS   A HD3  1 c 2 
ATOM   2044 H HE2  . LYS   B 1 16  ? -3.503  8.917   2.116   1 59.766 ? 28  LYS   A HE2  1 c 2 
ATOM   2045 H HE3  . LYS   B 1 16  ? -2.259  8.063   2.607   1 61.116 ? 28  LYS   A HE3  1 c 2 
ATOM   2046 H HZ1  . LYS   B 1 16  ? -2.115  10.786  2.227   1 66.225 ? 28  LYS   A HZ1  1 c 2 
ATOM   2047 H HZ2  . LYS   B 1 16  ? -1.058  9.953   2.836   1 67.225 ? 28  LYS   A HZ2  1 c 2 
ATOM   2048 H HZ3  . LYS   B 1 16  ? -2.325  10.18   3.555   1 64.79  ? 28  LYS   A HZ3  1 c 2 
ATOM   2049 N N    . LYS   B 1 17  ? -4.429  7.76    -4.305  1 40.294 ? 29  LYS   A N    1 ? 2 
ATOM   2050 C CA   . LYS   B 1 17  ? -4.284  6.781   -5.382  1 41.144 ? 29  LYS   A CA   1 ? 2 
ATOM   2051 C C    . LYS   B 1 17  ? -3.363  5.648   -4.926  1 42.497 ? 29  LYS   A C    1 ? 2 
ATOM   2052 O O    . LYS   B 1 17  ? -2.524  5.192   -5.677  1 43.766 ? 29  LYS   A O    1 ? 2 
ATOM   2053 C CB   . LYS   B 1 17  ? -3.821  7.336   -6.728  1 48.116 ? 29  LYS   A CB   1 ? 2 
ATOM   2054 C CG   . LYS   B 1 17  ? -4.82   8.349   -7.256  1 51.338 ? 29  LYS   A CG   1 ? 2 
ATOM   2055 C CD   . LYS   B 1 17  ? -6.178  7.817   -7.695  1 50.736 ? 29  LYS   A CD   1 ? 2 
ATOM   2056 C CE   . LYS   B 1 17  ? -6.437  8.542   -9.017  1 59.688 ? 29  LYS   A CE   1 ? 2 
ATOM   2057 N NZ   . LYS   B 1 17  ? -7.88   8.646   -9.225  1 61.728 ? 29  LYS   A NZ   1 ? 2 
ATOM   2058 H H    . LYS   B 1 17  ? -5.258  7.922   -3.959  1 38.969 ? 29  LYS   A H    1 c 2 
ATOM   2059 H HA   . LYS   B 1 17  ? -5.179  6.388   -5.536  1 40.883 ? 29  LYS   A HA   1 c 2 
ATOM   2060 H HB2  . LYS   B 1 17  ? -2.946  7.767   -6.629  1 49.356 ? 29  LYS   A HB2  1 c 2 
ATOM   2061 H HB3  . LYS   B 1 17  ? -3.735  6.605   -7.376  1 48.934 ? 29  LYS   A HB3  1 c 2 
ATOM   2062 H HG2  . LYS   B 1 17  ? -4.964  9.024   -6.558  1 49.557 ? 29  LYS   A HG2  1 c 2 
ATOM   2063 H HG3  . LYS   B 1 17  ? -4.402  8.809   -8.015  1 53.035 ? 29  LYS   A HG3  1 c 2 
ATOM   2064 H HD2  . LYS   B 1 17  ? -6.144  6.847   -7.841  1 51.89  ? 29  LYS   A HD2  1 c 2 
ATOM   2065 H HD3  . LYS   B 1 17  ? -6.872  8.047   -7.04   1 49.937 ? 29  LYS   A HD3  1 c 2 
ATOM   2066 H HE2  . LYS   B 1 17  ? -6.058  9.439   -9.003  1 59.649 ? 29  LYS   A HE2  1 c 2 
ATOM   2067 H HE3  . LYS   B 1 17  ? -6.039  8.045   -9.754  1 60.689 ? 29  LYS   A HE3  1 c 2 
ATOM   2068 H HZ1  . LYS   B 1 17  ? -8.247  9.168   -8.581  1 59.161 ? 29  LYS   A HZ1  1 c 2 
ATOM   2069 H HZ2  . LYS   B 1 17  ? -8.255  7.822   -9.191  1 59.844 ? 29  LYS   A HZ2  1 c 2 
ATOM   2070 H HZ3  . LYS   B 1 17  ? -8.046  9.015   -10.036 1 62.338 ? 29  LYS   A HZ3  1 c 2 
ATOM   2071 N N    . ASP   B 1 18  ? -3.66   5.132   -3.75   1 39.895 ? 30  ASP   A N    1 ? 2 
ATOM   2072 C CA   . ASP   B 1 18  ? -2.922  4.041   -3.127  1 41.894 ? 30  ASP   A CA   1 ? 2 
ATOM   2073 C C    . ASP   B 1 18  ? -3.757  2.759   -3.035  1 38.36  ? 30  ASP   A C    1 ? 2 
ATOM   2074 O O    . ASP   B 1 18  ? -3.359  1.781   -2.356  1 39.674 ? 30  ASP   A O    1 ? 2 
ATOM   2075 C CB   . ASP   B 1 18  ? -2.439  4.443   -1.746  1 38.327 ? 30  ASP   A CB   1 ? 2 
ATOM   2076 C CG   . ASP   B 1 18  ? -3.561  4.761   -0.77   1 35.563 ? 30  ASP   A CG   1 ? 2 
ATOM   2077 O OD1  . ASP   B 1 18  ? -4.685  4.356   -1.108  1 31.16  ? 30  ASP   A OD1  1 ? 2 
ATOM   2078 O OD2  . ASP   B 1 18  ? -3.298  5.394   0.257   1 38.107 ? 30  ASP   A OD2  1 ? 2 
ATOM   2079 H H    . ASP   B 1 18  ? -4.381  5.471   -3.301  1 38.696 ? 30  ASP   A H    1 c 2 
ATOM   2080 H HA   . ASP   B 1 18  ? -2.125  3.854   -3.67   1 42.859 ? 30  ASP   A HA   1 c 2 
ATOM   2081 H HB2  . ASP   B 1 18  ? -1.896  3.719   -1.369  1 39.334 ? 30  ASP   A HB2  1 c 2 
ATOM   2082 H HB3  . ASP   B 1 18  ? -1.87   5.236   -1.829  1 40.267 ? 30  ASP   A HB3  1 c 2 
ATOM   2083 N N    . ARG   B 1 19  ? -4.847  2.684   -3.808  1 39.699 ? 31  ARG   A N    1 ? 2 
ATOM   2084 C CA   . ARG   B 1 19  ? -5.708  1.506   -3.89   1 39.322 ? 31  ARG   A CA   1 ? 2 
ATOM   2085 C C    . ARG   B 1 19  ? -6.251  1.109   -2.503  1 36.728 ? 31  ARG   A C    1 ? 2 
ATOM   2086 O O    . ARG   B 1 19  ? -6.782  0.012   -2.34   1 36.05  ? 31  ARG   A O    1 ? 2 
ATOM   2087 C CB   . ARG   B 1 19  ? -5.006  0.361   -4.679  1 41.268 ? 31  ARG   A CB   1 ? 2 
ATOM   2088 C CG   . ARG   B 1 19  ? -4.705  0.723   -6.114  1 40.841 ? 31  ARG   A CG   1 ? 2 
ATOM   2089 C CD   . ARG   B 1 19  ? -4.019  -0.421  -6.95   1 43.021 ? 31  ARG   A CD   1 ? 2 
ATOM   2090 N NE   . ARG   B 1 19  ? -4.796  -1.66   -6.763  1 44.349 ? 31  ARG   A NE   1 ? 2 
ATOM   2091 C CZ   . ARG   B 1 19  ? -5.884  -2.057  -7.385  1 44.819 ? 31  ARG   A CZ   1 ? 2 
ATOM   2092 N NH1  . ARG   B 1 19  ? -6.456  -1.331  -8.303  1 47.357 ? 31  ARG   A NH1  1 ? 2 
ATOM   2093 N NH2  . ARG   B 1 19  ? -6.413  -3.255  -7.163  1 47.526 ? 31  ARG   A NH2  1 ? 2 
ATOM   2094 H H    . ARG   B 1 19  ? -5.068  3.409   -4.317  1 39.739 ? 31  ARG   A H    1 c 2 
ATOM   2095 H HA   . ARG   B 1 19  ? -6.492  1.761   -4.438  1 38.94  ? 31  ARG   A HA   1 c 2 
ATOM   2096 H HB2  . ARG   B 1 19  ? -4.165  0.138   -4.233  1 41.27  ? 31  ARG   A HB2  1 c 2 
ATOM   2097 H HB3  . ARG   B 1 19  ? -5.578  -0.435  -4.662  1 40.127 ? 31  ARG   A HB3  1 c 2 
ATOM   2098 H HG2  . ARG   B 1 19  ? -5.543  0.976   -6.559  1 41.006 ? 31  ARG   A HG2  1 c 2 
ATOM   2099 H HG3  . ARG   B 1 19  ? -4.121  1.512   -6.126  1 42.149 ? 31  ARG   A HG3  1 c 2 
ATOM   2100 H HD2  . ARG   B 1 19  ? -4.001  -0.184  -7.899  1 45.553 ? 31  ARG   A HD2  1 c 2 
ATOM   2101 H HD3  . ARG   B 1 19  ? -3.1    -0.56   -6.643  1 44.556 ? 31  ARG   A HD3  1 c 2 
ATOM   2102 H HE   . ARG   B 1 19  ? -4.498  -2.205  -6.153  1 43.489 ? 31  ARG   A HE   1 c 2 
ATOM   2103 H HH11 . ARG   B 1 19  ? -6.648  -0.484  -8.137  1 45.765 ? 31  ARG   A HH11 1 c 2 
ATOM   2104 H HH12 . ARG   B 1 19  ? -6.65   -1.689  -9.088  1 48.565 ? 31  ARG   A HH12 1 c 2 
ATOM   2105 H HH21 . ARG   B 1 19  ? -5.972  -3.851  -6.682  1 46.523 ? 31  ARG   A HH21 1 c 2 
ATOM   2106 H HH22 . ARG   B 1 19  ? -7.209  -3.452  -7.496  1 46.585 ? 31  ARG   A HH22 1 c 2 
ATOM   2107 N N    . GLY   B 1 20  ? -6.288  2.06    -1.543  1 30.571 ? 32  GLY   A N    1 ? 2 
ATOM   2108 C CA   . GLY   B 1 20  ? -6.699  1.75    -0.184  1 30.388 ? 32  GLY   A CA   1 ? 2 
ATOM   2109 C C    . GLY   B 1 20  ? -8.187  1.503   -0.068  1 28.386 ? 32  GLY   A C    1 ? 2 
ATOM   2110 O O    . GLY   B 1 20  ? -8.654  0.861   0.888   1 28.58  ? 32  GLY   A O    1 ? 2 
ATOM   2111 H H    . GLY   B 1 20  ? -6.074  2.923   -1.751  1 32.513 ? 32  GLY   A H    1 c 2 
ATOM   2112 H HA2  . GLY   B 1 20  ? -6.212  0.953   0.123   1 30.288 ? 32  GLY   A HA2  1 c 2 
ATOM   2113 H HA3  . GLY   B 1 20  ? -6.448  2.499   0.4     1 29.586 ? 32  GLY   A HA3  1 c 2 
ATOM   2114 N N    . VAL   B 1 21  ? -8.96   2.088   -0.979  1 30.282 ? 33  VAL   A N    1 ? 2 
ATOM   2115 C CA   . VAL   B 1 21  ? -10.381 1.996   -1.058  1 29.185 ? 33  VAL   A CA   1 ? 2 
ATOM   2116 C C    . VAL   B 1 21  ? -10.768 1.872   -2.522  1 29.304 ? 33  VAL   A C    1 ? 2 
ATOM   2117 O O    . VAL   B 1 21  ? -10.607 2.799   -3.298  1 26.982 ? 33  VAL   A O    1 ? 2 
ATOM   2118 C CB   . VAL   B 1 21  ? -11.143 3.183   -0.426  1 28.685 ? 33  VAL   A CB   1 ? 2 
ATOM   2119 C CG1  . VAL   B 1 21  ? -12.637 2.925   -0.439  1 29.91  ? 33  VAL   A CG1  1 ? 2 
ATOM   2120 C CG2  . VAL   B 1 21  ? -10.614 3.592   0.958   1 28.871 ? 33  VAL   A CG2  1 ? 2 
ATOM   2121 H H    . VAL   B 1 21  ? -8.543  2.603   -1.607  1 30.804 ? 33  VAL   A H    1 c 2 
ATOM   2122 H HA   . VAL   B 1 21  ? -10.657 1.18    -0.598  1 28.52  ? 33  VAL   A HA   1 c 2 
ATOM   2123 H HB   . VAL   B 1 21  ? -10.991 3.958   -1.015  1 29.734 ? 33  VAL   A HB   1 c 2 
ATOM   2124 H HG11 . VAL   B 1 21  ? -12.816 2.035   -0.091  1 29.048 ? 33  VAL   A HG11 1 c 2 
ATOM   2125 H HG12 . VAL   B 1 21  ? -12.971 2.989   -1.349  1 30.181 ? 33  VAL   A HG12 1 c 2 
ATOM   2126 H HG13 . VAL   B 1 21  ? -13.086 3.585   0.116   1 28.678 ? 33  VAL   A HG13 1 c 2 
ATOM   2127 H HG21 . VAL   B 1 21  ? -11.179 4.29    1.329   1 28.016 ? 33  VAL   A HG21 1 c 2 
ATOM   2128 H HG22 . VAL   B 1 21  ? -9.704  3.924   0.873   1 29.222 ? 33  VAL   A HG22 1 c 2 
ATOM   2129 H HG23 . VAL   B 1 21  ? -10.623 2.821   1.55    1 28.058 ? 33  VAL   A HG23 1 c 2 
ATOM   2130 N N    . LEU   B 1 22  ? -11.304 0.68    -2.884  1 28.13  ? 34  LEU   A N    1 ? 2 
ATOM   2131 C CA   . LEU   B 1 22  ? -11.708 0.354   -4.218  1 29.692 ? 34  LEU   A CA   1 ? 2 
ATOM   2132 C C    . LEU   B 1 22  ? -13.192 0.176   -4.237  1 30.738 ? 34  LEU   A C    1 ? 2 
ATOM   2133 O O    . LEU   B 1 22  ? -13.709 -0.441  -3.331  1 31.471 ? 34  LEU   A O    1 ? 2 
ATOM   2134 C CB   . LEU   B 1 22  ? -10.992 -0.914  -4.68   1 35.167 ? 34  LEU   A CB   1 ? 2 
ATOM   2135 C CG   . LEU   B 1 22  ? -9.46   -0.888  -4.681  1 36.819 ? 34  LEU   A CG   1 ? 2 
ATOM   2136 C CD1  . LEU   B 1 22  ? -8.906  -2.281  -4.873  1 40.058 ? 34  LEU   A CD1  1 ? 2 
ATOM   2137 C CD2  . LEU   B 1 22  ? -8.936  0.072   -5.755  1 40.288 ? 34  LEU   A CD2  1 ? 2 
ATOM   2138 H H    . LEU   B 1 22  ? -11.416 0.043   -2.238  1 27.8   ? 34  LEU   A H    1 c 2 
ATOM   2139 H HA   . LEU   B 1 22  ? -11.464 1.102   -4.814  1 31.407 ? 34  LEU   A HA   1 c 2 
ATOM   2140 H HB2  . LEU   B 1 22  ? -11.286 -1.656  -4.102  1 33.762 ? 34  LEU   A HB2  1 c 2 
ATOM   2141 H HB3  . LEU   B 1 22  ? -11.297 -1.121  -5.593  1 35.912 ? 34  LEU   A HB3  1 c 2 
ATOM   2142 H HG   . LEU   B 1 22  ? -9.155  -0.556  -3.797  1 35.916 ? 34  LEU   A HG   1 c 2 
ATOM   2143 H HD11 . LEU   B 1 22  ? -9.205  -2.853  -4.146  1 38.476 ? 34  LEU   A HD11 1 c 2 
ATOM   2144 H HD12 . LEU   B 1 22  ? -7.935  -2.247  -4.879  1 40.317 ? 34  LEU   A HD12 1 c 2 
ATOM   2145 H HD13 . LEU   B 1 22  ? -9.221  -2.643  -5.719  1 41.045 ? 34  LEU   A HD13 1 c 2 
ATOM   2146 H HD21 . LEU   B 1 22  ? -9.155  0.985   -5.509  1 38.765 ? 34  LEU   A HD21 1 c 2 
ATOM   2147 H HD22 . LEU   B 1 22  ? -9.347  -0.14   -6.61   1 41.112 ? 34  LEU   A HD22 1 c 2 
ATOM   2148 H HD23 . LEU   B 1 22  ? -7.971  -0.019  -5.83   1 40.76  ? 34  LEU   A HD23 1 c 2 
ATOM   2149 N N    . LYS   B 1 23  ? -13.858 0.688   -5.267  1 31.397 ? 35  LYS   A N    1 ? 2 
ATOM   2150 C CA   . LYS   B 1 23  ? -15.307 0.746   -5.339  1 32.175 ? 35  LYS   A CA   1 ? 2 
ATOM   2151 C C    . LYS   B 1 23  ? -15.833 0.252   -6.67   1 36.535 ? 35  LYS   A C    1 ? 2 
ATOM   2152 O O    . LYS   B 1 23  ? -15.341 0.631   -7.716  1 37.987 ? 35  LYS   A O    1 ? 2 
ATOM   2153 C CB   . LYS   B 1 23  ? -15.765 2.197   -5.183  1 33.676 ? 35  LYS   A CB   1 ? 2 
ATOM   2154 C CG   . LYS   B 1 23  ? -17.293 2.454   -5.284  1 34.382 ? 35  LYS   A CG   1 ? 2 
ATOM   2155 C CD   . LYS   B 1 23  ? -17.745 3.897   -5.285  1 34.677 ? 35  LYS   A CD   1 ? 2 
ATOM   2156 C CE   . LYS   B 1 23  ? -19.224 3.955   -5.273  1 36.295 ? 35  LYS   A CE   1 ? 2 
ATOM   2157 N NZ   . LYS   B 1 23  ? -19.678 5.321   -5.509  1 36.192 ? 35  LYS   A NZ   1 ? 2 
ATOM   2158 H H    . LYS   B 1 23  ? -13.381 1.019   -5.972  1 32.855 ? 35  LYS   A H    1 c 2 
ATOM   2159 H HA   . LYS   B 1 23  ? -15.686 0.198   -4.611  1 31.866 ? 35  LYS   A HA   1 c 2 
ATOM   2160 H HB2  . LYS   B 1 23  ? -15.457 2.524   -4.311  1 31.709 ? 35  LYS   A HB2  1 c 2 
ATOM   2161 H HB3  . LYS   B 1 23  ? -15.319 2.735   -5.872  1 34.151 ? 35  LYS   A HB3  1 c 2 
ATOM   2162 H HG2  . LYS   B 1 23  ? -17.62  2.03    -6.106  1 36.072 ? 35  LYS   A HG2  1 c 2 
ATOM   2163 H HG3  . LYS   B 1 23  ? -17.726 1.995   -4.533  1 33.552 ? 35  LYS   A HG3  1 c 2 
ATOM   2164 H HD2  . LYS   B 1 23  ? -17.393 4.355   -4.49   1 33.392 ? 35  LYS   A HD2  1 c 2 
ATOM   2165 H HD3  . LYS   B 1 23  ? -17.407 4.349   -6.088  1 35.93  ? 35  LYS   A HD3  1 c 2 
ATOM   2166 H HE2  . LYS   B 1 23  ? -19.584 3.373   -5.965  1 37.385 ? 35  LYS   A HE2  1 c 2 
ATOM   2167 H HE3  . LYS   B 1 23  ? -19.559 3.651   -4.41   1 34.865 ? 35  LYS   A HE3  1 c 2 
ATOM   2168 H HZ1  . LYS   B 1 23  ? -19.441 5.582   -6.344  1 37.589 ? 35  LYS   A HZ1  1 c 2 
ATOM   2169 H HZ2  . LYS   B 1 23  ? -19.301 5.879   -4.904  1 35.219 ? 35  LYS   A HZ2  1 c 2 
ATOM   2170 H HZ3  . LYS   B 1 23  ? -20.578 5.362   -5.429  1 36.863 ? 35  LYS   A HZ3  1 c 2 
ATOM   2171 N N    . ILE   B 1 24  ? -16.893 -0.57   -6.606  1 38.004 ? 36  ILE   A N    1 ? 2 
ATOM   2172 C CA   . ILE   B 1 24  ? -17.702 -0.895  -7.794  1 39.374 ? 36  ILE   A CA   1 ? 2 
ATOM   2173 C C    . ILE   B 1 24  ? -19.141 -0.509  -7.49   1 40.473 ? 36  ILE   A C    1 ? 2 
ATOM   2174 O O    . ILE   B 1 24  ? -19.737 -0.869  -6.449  1 41.218 ? 36  ILE   A O    1 ? 2 
ATOM   2175 C CB   . ILE   B 1 24  ? -17.664 -2.37   -8.182  1 44.704 ? 36  ILE   A CB   1 ? 2 
ATOM   2176 C CG1  . ILE   B 1 24  ? -16.262 -2.875  -8.464  1 47.611 ? 36  ILE   A CG1  1 ? 2 
ATOM   2177 C CG2  . ILE   B 1 24  ? -18.631 -2.625  -9.367  1 48.108 ? 36  ILE   A CG2  1 ? 2 
ATOM   2178 C CD1  . ILE   B 1 24  ? -16.24  -4.303  -8.964  1 50.951 ? 36  ILE   A CD1  1 ? 2 
ATOM   2179 H H    . ILE   B 1 24  ? -17.123 -0.945  -5.804  1 36.297 ? 36  ILE   A H    1 c 2 
ATOM   2180 H HA   . ILE   B 1 24  ? -17.383 -0.364  -8.55   1 41.513 ? 36  ILE   A HA   1 c 2 
ATOM   2181 H HB   . ILE   B 1 24  ? -18.003 -2.877  -7.417  1 43.467 ? 36  ILE   A HB   1 c 2 
ATOM   2182 H HG12 . ILE   B 1 24  ? -15.846 -2.297  -9.135  1 48.08  ? 36  ILE   A HG12 1 c 2 
ATOM   2183 H HG13 . ILE   B 1 24  ? -15.732 -2.817  -7.643  1 45.296 ? 36  ILE   A HG13 1 c 2 
ATOM   2184 H HG21 . ILE   B 1 24  ? -18.615 -3.567  -9.606  1 49.594 ? 36  ILE   A HG21 1 c 2 
ATOM   2185 H HG22 . ILE   B 1 24  ? -18.354 -2.094  -10.133 1 49.223 ? 36  ILE   A HG22 1 c 2 
ATOM   2186 H HG23 . ILE   B 1 24  ? -19.535 -2.378  -9.113  1 47.834 ? 36  ILE   A HG23 1 c 2 
ATOM   2187 H HD11 . ILE   B 1 24  ? -16.874 -4.839  -8.452  1 50.336 ? 36  ILE   A HD11 1 c 2 
ATOM   2188 H HD12 . ILE   B 1 24  ? -15.344 -4.673  -8.859  1 50.627 ? 36  ILE   A HD12 1 c 2 
ATOM   2189 H HD13 . ILE   B 1 24  ? -16.486 -4.324  -9.908  1 52.958 ? 36  ILE   A HD13 1 c 2 
ATOM   2190 N N    . VAL   B 1 25  ? -19.729 0.223   -8.425  1 40.41  ? 37  VAL   A N    1 ? 2 
ATOM   2191 C CA   . VAL   B 1 25  ? -21.129 0.563   -8.294  1 42.075 ? 37  VAL   A CA   1 ? 2 
ATOM   2192 C C    . VAL   B 1 25  ? -21.952 -0.633  -8.794  1 42.068 ? 37  VAL   A C    1 ? 2 
ATOM   2193 O O    . VAL   B 1 25  ? -21.82  -1.052  -9.967  1 47.015 ? 37  VAL   A O    1 ? 2 
ATOM   2194 C CB   . VAL   B 1 25  ? -21.455 1.813   -9.129  1 44.367 ? 37  VAL   A CB   1 ? 2 
ATOM   2195 C CG1  . VAL   B 1 25  ? -22.945 2.08    -9.11   1 46.852 ? 37  VAL   A CG1  1 ? 2 
ATOM   2196 C CG2  . VAL   B 1 25  ? -20.718 3.056   -8.646  1 42.373 ? 37  VAL   A CG2  1 ? 2 
ATOM   2197 H H    . VAL   B 1 25  ? -19.26  0.516   -9.153  1 42.162 ? 37  VAL   A H    1 c 2 
ATOM   2198 H HA   . VAL   B 1 25  ? -21.337 0.737   -7.355  1 39.726 ? 37  VAL   A HA   1 c 2 
ATOM   2199 H HB   . VAL   B 1 25  ? -21.182 1.628   -10.059 1 46.325 ? 37  VAL   A HB   1 c 2 
ATOM   2200 H HG11 . VAL   B 1 25  ? -23.297 1.895   -8.223  1 45.12  ? 37  VAL   A HG11 1 c 2 
ATOM   2201 H HG12 . VAL   B 1 25  ? -23.387 1.508   -9.76   1 48.692 ? 37  VAL   A HG12 1 c 2 
ATOM   2202 H HG13 . VAL   B 1 25  ? -23.111 3.011   -9.335  1 46.703 ? 37  VAL   A HG13 1 c 2 
ATOM   2203 H HG21 . VAL   B 1 25  ? -20.862 3.784   -9.274  1 43.502 ? 37  VAL   A HG21 1 c 2 
ATOM   2204 H HG22 . VAL   B 1 25  ? -19.766 2.867   -8.584  1 41.571 ? 37  VAL   A HG22 1 c 2 
ATOM   2205 H HG23 . VAL   B 1 25  ? -21.054 3.313   -7.772  1 40.784 ? 37  VAL   A HG23 1 c 2 
ATOM   2206 N N    . LYS   B 1 26  ? -22.8   -1.202  -7.938  1 41.413 ? 38  LYS   A N    1 ? 2 
ATOM   2207 C CA   . LYS   B 1 26  ? -23.567 -2.379  -8.316  1 44.865 ? 38  LYS   A CA   1 ? 2 
ATOM   2208 C C    . LYS   B 1 26  ? -24.95  -1.984  -8.801  1 48.529 ? 38  LYS   A C    1 ? 2 
ATOM   2209 O O    . LYS   B 1 26  ? -25.56  -2.731  -9.584  1 52.56  ? 38  LYS   A O    1 ? 2 
ATOM   2210 C CB   . LYS   B 1 26  ? -23.639 -3.347  -7.129  1 43.18  ? 38  LYS   A CB   1 ? 2 
ATOM   2211 C CG   . LYS   B 1 26  ? -22.28  -3.877  -6.705  1 41.406 ? 38  LYS   A CG   1 ? 2 
ATOM   2212 C CD   . LYS   B 1 26  ? -21.421 -4.503  -7.812  1 45.751 ? 38  LYS   A CD   1 ? 2 
ATOM   2213 C CE   . LYS   B 1 26  ? -21.88  -5.758  -8.265  1 46.417 ? 38  LYS   A CE   1 ? 2 
ATOM   2214 N NZ   . LYS   B 1 26  ? -21.259 -6.483  -9.388  1 50.534 ? 38  LYS   A NZ   1 ? 2 
ATOM   2215 H H    . LYS   B 1 26  ? -22.899 -0.857  -7.098  1 39.846 ? 38  LYS   A H    1 c 2 
ATOM   2216 H HA   . LYS   B 1 26  ? -23.101 -2.831  -9.062  1 46.39  ? 38  LYS   A HA   1 c 2 
ATOM   2217 H HB2  . LYS   B 1 26  ? -24.049 -2.887  -6.365  1 41.893 ? 38  LYS   A HB2  1 c 2 
ATOM   2218 H HB3  . LYS   B 1 26  ? -24.213 -4.105  -7.368  1 45.366 ? 38  LYS   A HB3  1 c 2 
ATOM   2219 H HG2  . LYS   B 1 26  ? -21.777 -3.138  -6.3    1 39.799 ? 38  LYS   A HG2  1 c 2 
ATOM   2220 H HG3  . LYS   B 1 26  ? -22.422 -4.549  -6.003  1 41.443 ? 38  LYS   A HG3  1 c 2 
ATOM   2221 H HD2  . LYS   B 1 26  ? -21.376 -3.887  -8.574  1 45.519 ? 38  LYS   A HD2  1 c 2 
ATOM   2222 H HD3  . LYS   B 1 26  ? -20.507 -4.608  -7.471  1 43.181 ? 38  LYS   A HD3  1 c 2 
ATOM   2223 H HE2  . LYS   B 1 26  ? -21.857 -6.355  -7.496  1 46.341 ? 38  LYS   A HE2  1 c 2 
ATOM   2224 H HE3  . LYS   B 1 26  ? -22.821 -5.648  -8.49   1 48.644 ? 38  LYS   A HE3  1 c 2 
ATOM   2225 H HZ1  . LYS   B 1 26  ? -20.578 -6.996  -9.083  1 49.49  ? 38  LYS   A HZ1  1 c 2 
ATOM   2226 H HZ2  . LYS   B 1 26  ? -20.937 -5.89   -9.994  1 50.466 ? 38  LYS   A HZ2  1 c 2 
ATOM   2227 H HZ3  . LYS   B 1 26  ? -21.875 -7.013  -9.789  1 52.5   ? 38  LYS   A HZ3  1 c 2 
ATOM   2228 N N    . ARG   B 1 27  ? -25.515 -0.925  -8.21   1 46.897 ? 39  ARG   A N    1 ? 2 
ATOM   2229 C CA   . ARG   B 1 27  ? -26.781 -0.384  -8.673  1 53.838 ? 39  ARG   A CA   1 ? 2 
ATOM   2230 C C    . ARG   B 1 27  ? -26.674 1.139   -8.666  1 52.144 ? 39  ARG   A C    1 ? 2 
ATOM   2231 O O    . ARG   B 1 27  ? -26.345 1.723   -7.633  1 50.318 ? 39  ARG   A O    1 ? 2 
ATOM   2232 C CB   . ARG   B 1 27  ? -27.96  -0.78   -7.782  1 53.087 ? 39  ARG   A CB   1 ? 2 
ATOM   2233 C CG   . ARG   B 1 27  ? -29.272 -0.431  -8.465  1 57.851 ? 39  ARG   A CG   1 ? 2 
ATOM   2234 C CD   . ARG   B 1 27  ? -30.534 -0.526  -7.618  1 59.5   ? 39  ARG   A CD   1 ? 2 
ATOM   2235 N NE   . ARG   B 1 27  ? -30.473 0.05    -6.263  1 60.062 ? 39  ARG   A NE   1 ? 2 
ATOM   2236 C CZ   . ARG   B 1 27  ? -31.031 -0.447  -5.162  1 58.116 ? 39  ARG   A CZ   1 ? 2 
ATOM   2237 N NH1  . ARG   B 1 27  ? -30.963 0.252   -4.026  1 56.95  ? 39  ARG   A NH1  1 ? 2 
ATOM   2238 N NH2  . ARG   B 1 27  ? -31.658 -1.625  -5.239  1 57.284 ? 39  ARG   A NH2  1 ? 2 
ATOM   2239 H H    . ARG   B 1 27  ? -25.108 -0.537  -7.489  1 45.472 ? 39  ARG   A H    1 c 2 
ATOM   2240 H HA   . ARG   B 1 27  ? -26.944 -0.695  -9.6    1 55.12  ? 39  ARG   A HA   1 c 2 
ATOM   2241 H HB2  . ARG   B 1 27  ? -27.93  -1.744  -7.606  1 54.12  ? 39  ARG   A HB2  1 c 2 
ATOM   2242 H HB3  . ARG   B 1 27  ? -27.901 -0.307  -6.925  1 51.521 ? 39  ARG   A HB3  1 c 2 
ATOM   2243 H HG2  . ARG   B 1 27  ? -29.209 0.484   -8.815  1 57.574 ? 39  ARG   A HG2  1 c 2 
ATOM   2244 H HG3  . ARG   B 1 27  ? -29.38  -1.019  -9.243  1 60.122 ? 39  ARG   A HG3  1 c 2 
ATOM   2245 H HD2  . ARG   B 1 27  ? -31.257 -0.088  -8.111  1 62.394 ? 39  ARG   A HD2  1 c 2 
ATOM   2246 H HD3  . ARG   B 1 27  ? -30.769 -1.474  -7.547  1 61.423 ? 39  ARG   A HD3  1 c 2 
ATOM   2247 H HE   . ARG   B 1 27  ? -30.026 0.793   -6.172  1 57.091 ? 39  ARG   A HE   1 c 2 
ATOM   2248 H HH11 . ARG   B 1 27  ? -30.355 0.887   -3.932  1 54.639 ? 39  ARG   A HH11 1 c 2 
ATOM   2249 H HH12 . ARG   B 1 27  ? -31.529 0.075   -3.37   1 57.064 ? 39  ARG   A HH12 1 c 2 
ATOM   2250 H HH21 . ARG   B 1 27  ? -32.376 -1.707  -5.748  1 60.982 ? 39  ARG   A HH21 1 c 2 
ATOM   2251 H HH22 . ARG   B 1 27  ? -31.355 -2.317  -4.781  1 57.518 ? 39  ARG   A HH22 1 c 2 
ATOM   2252 N N    . VAL   B 1 28  ? -26.969 1.764   -9.818  1 54.843 ? 40  VAL   A N    1 ? 2 
ATOM   2253 C CA   . VAL   B 1 28  ? -26.854 3.209   -9.971  1 56.991 ? 40  VAL   A CA   1 ? 2 
ATOM   2254 C C    . VAL   B 1 28  ? -27.942 3.859   -9.113  1 60.086 ? 40  VAL   A C    1 ? 2 
ATOM   2255 O O    . VAL   B 1 28  ? -29.012 3.3     -8.915  1 64.486 ? 40  VAL   A O    1 ? 2 
ATOM   2256 C CB   . VAL   B 1 28  ? -26.889 3.674   -11.446 1 58.951 ? 40  VAL   A CB   1 ? 2 
ATOM   2257 C CG1  . VAL   B 1 28  ? -26.986 5.187   -11.616 1 62.968 ? 40  VAL   A CG1  1 ? 2 
ATOM   2258 C CG2  . VAL   B 1 28  ? -25.687 3.197   -12.251 1 57.364 ? 40  VAL   A CG2  1 ? 2 
ATOM   2259 H H    . VAL   B 1 28  ? -27.254 1.271   -10.533 1 57.816 ? 40  VAL   A H    1 c 2 
ATOM   2260 H HA   . VAL   B 1 28  ? -25.989 3.472   -9.602  1 54.466 ? 40  VAL   A HA   1 c 2 
ATOM   2261 H HB   . VAL   B 1 28  ? -27.695 3.278   -11.853 1 62.022 ? 40  VAL   A HB   1 c 2 
ATOM   2262 H HG11 . VAL   B 1 28  ? -26.327 5.62    -11.047 1 59.23  ? 40  VAL   A HG11 1 c 2 
ATOM   2263 H HG12 . VAL   B 1 28  ? -27.875 5.486   -11.367 1 62.529 ? 40  VAL   A HG12 1 c 2 
ATOM   2264 H HG13 . VAL   B 1 28  ? -26.815 5.422   -12.544 1 63.565 ? 40  VAL   A HG13 1 c 2 
ATOM   2265 H HG21 . VAL   B 1 28  ? -25.805 3.438   -13.185 1 60.39  ? 40  VAL   A HG21 1 c 2 
ATOM   2266 H HG22 . VAL   B 1 28  ? -25.608 2.231   -12.174 1 58.155 ? 40  VAL   A HG22 1 c 2 
ATOM   2267 H HG23 . VAL   B 1 28  ? -24.88  3.615   -11.908 1 55.748 ? 40  VAL   A HG23 1 c 2 
ATOM   2268 N N    . GLY   B 1 29  ? -27.624 4.992   -8.491  1 53.5   ? 41  GLY   A N    1 ? 2 
ATOM   2269 C CA   . GLY   B 1 29  ? -28.615 5.71    -7.706  1 56.812 ? 41  GLY   A CA   1 ? 2 
ATOM   2270 C C    . GLY   B 1 29  ? -29.315 6.842   -8.47   1 62.984 ? 41  GLY   A C    1 ? 2 
ATOM   2271 O O    . GLY   B 1 29  ? -29.24  6.907   -9.688  1 65.064 ? 41  GLY   A O    1 ? 2 
ATOM   2272 H H    . GLY   B 1 29  ? -26.776 5.328   -8.555  1 53.829 ? 41  GLY   A H    1 c 2 
ATOM   2273 H HA2  . GLY   B 1 29  ? -29.293 5.071   -7.384  1 57.61  ? 41  GLY   A HA2  1 c 2 
ATOM   2274 H HA3  . GLY   B 1 29  ? -28.168 6.089   -6.913  1 54.449 ? 41  GLY   A HA3  1 c 2 
ATOM   2275 N N    . ASN   B 1 30  ? -29.968 7.734   -7.71   1 63.012 ? 42  ASN   A N    1 ? 2 
ATOM   2276 C CA   . ASN   B 1 30  ? -30.873 8.742   -8.217  1 68.119 ? 42  ASN   A CA   1 ? 2 
ATOM   2277 C C    . ASN   B 1 30  ? -30.299 10.124  -7.964  1 63.96  ? 42  ASN   A C    1 ? 2 
ATOM   2278 O O    . ASN   B 1 30  ? -29.695 10.349  -6.913  1 64.471 ? 42  ASN   A O    1 ? 2 
ATOM   2279 C CB   . ASN   B 1 30  ? -32.219 8.642   -7.521  1 74.933 ? 42  ASN   A CB   1 ? 2 
ATOM   2280 C CG   . ASN   B 1 30  ? -32.748 7.242   -7.628  1 79.494 ? 42  ASN   A CG   1 ? 2 
ATOM   2281 O OD1  . ASN   B 1 30  ? -32.837 6.522   -6.624  1 79.971 ? 42  ASN   A OD1  1 ? 2 
ATOM   2282 N ND2  . ASN   B 1 30  ? -32.978 6.827   -8.86   1 81.078 ? 42  ASN   A ND2  1 ? 2 
ATOM   2283 H H    . ASN   B 1 30  ? -29.833 7.703   -6.807  1 61.582 ? 42  ASN   A H    1 c 2 
ATOM   2284 H HA   . ASN   B 1 30  ? -31.009 8.605   -9.182  1 70.082 ? 42  ASN   A HA   1 c 2 
ATOM   2285 H HB2  . ASN   B 1 30  ? -32.12  8.884   -6.578  1 72.594 ? 42  ASN   A HB2  1 c 2 
ATOM   2286 H HB3  . ASN   B 1 30  ? -32.85  9.264   -7.935  1 76.623 ? 42  ASN   A HB3  1 c 2 
ATOM   2287 H HD21 . ASN   B 1 30  ? -32.761 6       -9.096  1 81.59  ? 42  ASN   A HD21 1 c 2 
ATOM   2288 H HD22 . ASN   B 1 30  ? -33.349 7.376   -9.451  1 83.45  ? 42  ASN   A HD22 1 c 2 
ATOM   2289 N N    . GLY   B 1 31  ? -30.51  10.997  -8.959  1 66.368 ? 43  GLY   A N    1 ? 2 
ATOM   2290 C CA   . GLY   B 1 31  ? -30.11  12.393  -8.897  1 69.929 ? 43  GLY   A CA   1 ? 2 
ATOM   2291 C C    . GLY   B 1 31  ? -28.62  12.591  -9.187  1 68.958 ? 43  GLY   A C    1 ? 2 
ATOM   2292 O O    . GLY   B 1 31  ? -27.938 11.676  -9.637  1 68.32  ? 43  GLY   A O    1 ? 2 
ATOM   2293 H H    . GLY   B 1 31  ? -30.928 10.703  -9.717  1 69.493 ? 43  GLY   A H    1 c 2 
ATOM   2294 H HA2  . GLY   B 1 31  ? -30.64  12.905  -9.552  1 71.69  ? 43  GLY   A HA2  1 c 2 
ATOM   2295 H HA3  . GLY   B 1 31  ? -30.318 12.746  -8      1 68.151 ? 43  GLY   A HA3  1 c 2 
ATOM   2296 N N    . GLU   B 1 32  ? -28.126 13.807  -8.937  1 63.489 ? 44  GLU   A N    1 ? 2 
ATOM   2297 C CA   . GLU   B 1 32  ? -26.697 14.079  -9.035  1 60.454 ? 44  GLU   A CA   1 ? 2 
ATOM   2298 C C    . GLU   B 1 32  ? -26.071 14.124  -7.622  1 53.547 ? 44  GLU   A C    1 ? 2 
ATOM   2299 O O    . GLU   B 1 32  ? -24.919 13.782  -7.49   1 50.737 ? 44  GLU   A O    1 ? 2 
ATOM   2300 C CB   . GLU   B 1 32  ? -26.489 15.262  -9.994  1 63.522 ? 44  GLU   A CB   1 ? 2 
ATOM   2301 H H    . GLU   B 1 32  ? -28.693 14.486  -8.704  1 65.21  ? 44  GLU   A H    1 c 2 
ATOM   2302 H HA   . GLU   B 1 32  ? -26.283 13.306  -9.496  1 59.955 ? 44  GLU   A HA   1 c 2 
ATOM   2303 H HB2  . GLU   B 1 32  ? -25.549 15.417  -10.136 0 20     ? 44  GLU   A HB2  1 c 2 
ATOM   2304 H HB3  . GLU   B 1 32  ? -27.394 15.58   -10.268 0 20     ? 44  GLU   A HB3  1 c 2 
ATOM   2305 N N    . GLU   B 1 33  ? -26.824 14.463  -6.566  1 48.935 ? 45  GLU   A N    1 ? 2 
ATOM   2306 C CA   . GLU   B 1 33  ? -26.277 14.868  -5.28   1 47.457 ? 45  GLU   A CA   1 ? 2 
ATOM   2307 C C    . GLU   B 1 33  ? -25.703 13.671  -4.541  1 46.925 ? 45  GLU   A C    1 ? 2 
ATOM   2308 O O    . GLU   B 1 33  ? -26.269 12.566  -4.506  1 47.091 ? 45  GLU   A O    1 ? 2 
ATOM   2309 C CB   . GLU   B 1 33  ? -27.272 15.569  -4.352  1 48.417 ? 45  GLU   A CB   1 ? 2 
ATOM   2310 H H    . GLU   B 1 33  ? -27.733 14.432  -6.654  1 51.658 ? 45  GLU   A H    1 c 2 
ATOM   2311 H HA   . GLU   B 1 33  ? -25.539 15.506  -5.459  1 47.513 ? 45  GLU   A HA   1 c 2 
ATOM   2312 H HB2  . GLU   B 1 33  ? -26.749 16.064  -3.671  0 20     ? 45  GLU   A HB2  1 c 2 
ATOM   2313 H HB3  . GLU   B 1 33  ? -28.162 15.348  -4.639  0 20     ? 45  GLU   A HB3  1 c 2 
ATOM   2314 N N    . THR   B 1 34  ? -24.533 13.931  -3.946  1 40.492 ? 46  THR   A N    1 ? 2 
ATOM   2315 C CA   . THR   B 1 34  ? -23.853 13.008  -3.068  1 39.461 ? 46  THR   A CA   1 ? 2 
ATOM   2316 C C    . THR   B 1 34  ? -23.654 13.748  -1.756  1 38.318 ? 46  THR   A C    1 ? 2 
ATOM   2317 O O    . THR   B 1 34  ? -23.652 14.989  -1.748  1 38.062 ? 46  THR   A O    1 ? 2 
ATOM   2318 C CB   . THR   B 1 34  ? -22.526 12.566  -3.651  1 39.445 ? 46  THR   A CB   1 ? 2 
ATOM   2319 O OG1  . THR   B 1 34  ? -21.737 13.766  -3.715  1 36.753 ? 46  THR   A OG1  1 ? 2 
ATOM   2320 C CG2  . THR   B 1 34  ? -22.712 12.019  -5.045  1 40.953 ? 46  THR   A CG2  1 ? 2 
ATOM   2321 H H    . THR   B 1 34  ? -24.137 14.74   -4.103  1 42.258 ? 46  THR   A H    1 c 2 
ATOM   2322 H HA   . THR   B 1 34  ? -24.422 12.222  -2.921  1 39.258 ? 46  THR   A HA   1 c 2 
ATOM   2323 H HB   . THR   B 1 34  ? -22.088 11.901  -3.068  1 37.133 ? 46  THR   A HB   1 c 2 
ATOM   2324 H HG1  . THR   B 1 34  ? -22.12  14.336  -4.232  0 20     ? 46  THR   A HG1  1 c 2 
ATOM   2325 H HG21 . THR   B 1 34  ? -21.907 11.549  -5.318  1 40.355 ? 46  THR   A HG21 1 c 2 
ATOM   2326 H HG22 . THR   B 1 34  ? -22.883 12.751  -5.661  1 42.451 ? 46  THR   A HG22 1 c 2 
ATOM   2327 H HG23 . THR   B 1 34  ? -23.465 11.405  -5.055  1 41.361 ? 46  THR   A HG23 1 c 2 
ATOM   2328 N N    . PRO   B 1 35  ? -23.576 13.035  -0.61   1 36.792 ? 47  PRO   A N    1 ? 2 
ATOM   2329 C CA   . PRO   B 1 35  ? -23.63  13.711  0.68    1 35.249 ? 47  PRO   A CA   1 ? 2 
ATOM   2330 C C    . PRO   B 1 35  ? -22.413 14.556  0.991   1 32.799 ? 47  PRO   A C    1 ? 2 
ATOM   2331 O O    . PRO   B 1 35  ? -21.289 14.188  0.608   1 36.375 ? 47  PRO   A O    1 ? 2 
ATOM   2332 C CB   . PRO   B 1 35  ? -23.808 12.579  1.701   1 33.344 ? 47  PRO   A CB   1 ? 2 
ATOM   2333 C CG   . PRO   B 1 35  ? -23.357 11.349  0.972   1 35.708 ? 47  PRO   A CG   1 ? 2 
ATOM   2334 C CD   . PRO   B 1 35  ? -23.683 11.578  -0.484  1 34.922 ? 47  PRO   A CD   1 ? 2 
ATOM   2335 H HA   . PRO   B 1 35  ? -24.427 14.28   0.703   1 36.408 ? 47  PRO   A HA   1 c 2 
ATOM   2336 H HB2  . PRO   B 1 35  ? -23.262 12.735  2.495   1 33.476 ? 47  PRO   A HB2  1 c 2 
ATOM   2337 H HB3  . PRO   B 1 35  ? -24.743 12.499  1.972   1 35.143 ? 47  PRO   A HB3  1 c 2 
ATOM   2338 H HG2  . PRO   B 1 35  ? -22.396 11.213  1.088   1 33.256 ? 47  PRO   A HG2  1 c 2 
ATOM   2339 H HG3  . PRO   B 1 35  ? -23.827 10.559  1.306   1 34.194 ? 47  PRO   A HG3  1 c 2 
ATOM   2340 H HD2  . PRO   B 1 35  ? -23.04  11.13   -1.067  1 35.123 ? 47  PRO   A HD2  1 c 2 
ATOM   2341 H HD3  . PRO   B 1 35  ? -24.586 11.274  -0.701  1 36.618 ? 47  PRO   A HD3  1 c 2 
ATOM   2342 N N    . MET   B 1 36  ? -22.663 15.587  1.792   1 34.614 ? 48  MET   A N    1 ? 2 
ATOM   2343 C CA   . MET   B 1 36  ? -21.661 16.513  2.296   1 34.52  ? 48  MET   A CA   1 ? 2 
ATOM   2344 C C    . MET   B 1 36  ? -21.211 16.079  3.684   1 33.372 ? 48  MET   A C    1 ? 2 
ATOM   2345 O O    . MET   B 1 36  ? -21.947 15.455  4.462   1 32.15  ? 48  MET   A O    1 ? 2 
ATOM   2346 C CB   . MET   B 1 36  ? -22.25  17.926  2.39    1 38.63  ? 48  MET   A CB   1 ? 2 
ATOM   2347 C CG   . MET   B 1 36  ? -22.664 18.547  1.065   1 42.49  ? 48  MET   A CG   1 ? 2 
ATOM   2348 S SD   . MET   B 1 36  ? -21.266 18.823  -0.079  1 41.138 ? 48  MET   A SD   1 ? 2 
ATOM   2349 C CE   . MET   B 1 36  ? -22.272 19.453  -1.417  1 48.631 ? 48  MET   A CE   1 ? 2 
ATOM   2350 H H    . MET   B 1 36  ? -23.53  15.727  2.045   1 35.289 ? 48  MET   A H    1 c 2 
ATOM   2351 H HA   . MET   B 1 36  ? -20.883 16.51   1.682   1 34.548 ? 48  MET   A HA   1 c 2 
ATOM   2352 H HB2  . MET   B 1 36  ? -23.034 17.894  2.979   1 39.191 ? 48  MET   A HB2  1 c 2 
ATOM   2353 H HB3  . MET   B 1 36  ? -21.586 18.509  2.815   1 38.932 ? 48  MET   A HB3  1 c 2 
ATOM   2354 H HG2  . MET   B 1 36  ? -23.315 17.964  0.626   1 41.641 ? 48  MET   A HG2  1 c 2 
ATOM   2355 H HG3  . MET   B 1 36  ? -23.101 19.406  1.236   1 43.288 ? 48  MET   A HG3  1 c 2 
ATOM   2356 H HE1  . MET   B 1 36  ? -21.695 19.788  -2.128  1 47.888 ? 48  MET   A HE1  1 c 2 
ATOM   2357 H HE2  . MET   B 1 36  ? -22.834 18.736  -1.766  1 46.944 ? 48  MET   A HE2  1 c 2 
ATOM   2358 H HE3  . MET   B 1 36  ? -22.836 20.177  -1.087  1 48.592 ? 48  MET   A HE3  1 c 2 
ATOM   2359 N N    . ILE   B 1 37  ? -20.006 16.505  4.069   1 32.376 ? 49  ILE   A N    1 ? 2 
ATOM   2360 C CA   . ILE   B 1 37  ? -19.557 16.361  5.447   1 30.778 ? 49  ILE   A CA   1 ? 2 
ATOM   2361 C C    . ILE   B 1 37  ? -20.54  17.022  6.405   1 29.707 ? 49  ILE   A C    1 ? 2 
ATOM   2362 O O    . ILE   B 1 37  ? -20.937 18.137  6.251   1 32.962 ? 49  ILE   A O    1 ? 2 
ATOM   2363 C CB   . ILE   B 1 37  ? -18.123 16.864  5.623   1 33.39  ? 49  ILE   A CB   1 ? 2 
ATOM   2364 C CG1  . ILE   B 1 37  ? -17.165 16.02   4.849   1 34.982 ? 49  ILE   A CG1  1 ? 2 
ATOM   2365 C CG2  . ILE   B 1 37  ? -17.716 16.903  7.087   1 34.575 ? 49  ILE   A CG2  1 ? 2 
ATOM   2366 C CD1  . ILE   B 1 37  ? -15.728 16.435  5.001   1 40.372 ? 49  ILE   A CD1  1 ? 2 
ATOM   2367 H H    . ILE   B 1 37  ? -19.452 16.905  3.461   1 32.681 ? 49  ILE   A H    1 c 2 
ATOM   2368 H HA   . ILE   B 1 37  ? -19.552 15.405  5.646   1 29.653 ? 49  ILE   A HA   1 c 2 
ATOM   2369 H HB   . ILE   B 1 37  ? -18.076 17.774  5.269   1 34.889 ? 49  ILE   A HB   1 c 2 
ATOM   2370 H HG12 . ILE   B 1 37  ? -17.257 15.09   5.143   1 33.988 ? 49  ILE   A HG12 1 c 2 
ATOM   2371 H HG13 . ILE   B 1 37  ? -17.404 16.059  3.901   1 35.282 ? 49  ILE   A HG13 1 c 2 
ATOM   2372 H HG21 . ILE   B 1 37  ? -16.799 17.212  7.165   1 34.772 ? 49  ILE   A HG21 1 c 2 
ATOM   2373 H HG22 . ILE   B 1 37  ? -17.789 16.012  7.469   1 33.207 ? 49  ILE   A HG22 1 c 2 
ATOM   2374 H HG23 . ILE   B 1 37  ? -18.298 17.51   7.573   1 35.552 ? 49  ILE   A HG23 1 c 2 
ATOM   2375 H HD11 . ILE   B 1 37  ? -15.674 17.404  5.106   1 40.113 ? 49  ILE   A HD11 1 c 2 
ATOM   2376 H HD12 . ILE   B 1 37  ? -15.23  16.168  4.206   1 38.445 ? 49  ILE   A HD12 1 c 2 
ATOM   2377 H HD13 . ILE   B 1 37  ? -15.341 16.002  5.786   1 38.211 ? 49  ILE   A HD13 1 c 2 
ATOM   2378 N N    . GLY   B 1 38  ? -20.908 16.243  7.438   1 29.258 ? 50  GLY   A N    1 ? 2 
ATOM   2379 C CA   . GLY   B 1 38  ? -21.874 16.613  8.439   1 32.671 ? 50  GLY   A CA   1 ? 2 
ATOM   2380 C C    . GLY   B 1 38  ? -23.27  16.063  8.164   1 34.095 ? 50  GLY   A C    1 ? 2 
ATOM   2381 O O    . GLY   B 1 38  ? -24.15  16.214  9.032   1 36.551 ? 50  GLY   A O    1 ? 2 
ATOM   2382 H H    . GLY   B 1 38  ? -20.515 15.422  7.514   1 28.339 ? 50  GLY   A H    1 c 2 
ATOM   2383 H HA2  . GLY   B 1 38  ? -21.564 16.28   9.314   1 32.268 ? 50  GLY   A HA2  1 c 2 
ATOM   2384 H HA3  . GLY   B 1 38  ? -21.918 17.596  8.494   1 33.958 ? 50  GLY   A HA3  1 c 2 
ATOM   2385 N N    . ASP   B 1 39  ? -23.548 15.619  6.928   1 31.395 ? 51  ASP   A N    1 ? 2 
ATOM   2386 C CA   . ASP   B 1 39  ? -24.909 15.157  6.638   1 34.686 ? 51  ASP   A CA   1 ? 2 
ATOM   2387 C C    . ASP   B 1 39  ? -25.183 13.887  7.441   1 33.373 ? 51  ASP   A C    1 ? 2 
ATOM   2388 O O    . ASP   B 1 39  ? -24.254 13.127  7.764   1 30.97  ? 51  ASP   A O    1 ? 2 
ATOM   2389 C CB   . ASP   B 1 39  ? -25.094 14.812  5.178   1 32.472 ? 51  ASP   A CB   1 ? 2 
ATOM   2390 C CG   . ASP   B 1 39  ? -25.28  16.002  4.239   1 36.134 ? 51  ASP   A CG   1 ? 2 
ATOM   2391 O OD1  . ASP   B 1 39  ? -25.428 17.127  4.703   1 36.678 ? 51  ASP   A OD1  1 ? 2 
ATOM   2392 O OD2  . ASP   B 1 39  ? -25.249 15.756  2.982   1 38.318 ? 51  ASP   A OD2  1 ? 2 
ATOM   2393 H H    . ASP   B 1 39  ? -22.911 15.599  6.274   1 31.479 ? 51  ASP   A H    1 c 2 
ATOM   2394 H HA   . ASP   B 1 39  ? -25.548 15.857  6.902   1 35.527 ? 51  ASP   A HA   1 c 2 
ATOM   2395 H HB2  . ASP   B 1 39  ? -24.315 14.302  4.873   1 31.825 ? 51  ASP   A HB2  1 c 2 
ATOM   2396 H HB3  . ASP   B 1 39  ? -25.882 14.236  5.086   1 33.749 ? 51  ASP   A HB3  1 c 2 
ATOM   2397 N N    . LYS   B 1 40  ? -26.472 13.711  7.8     1 36.458 ? 52  LYS   A N    1 ? 2 
ATOM   2398 C CA   . LYS   B 1 40  ? -26.917 12.495  8.469   1 36.167 ? 52  LYS   A CA   1 ? 2 
ATOM   2399 C C    . LYS   B 1 40  ? -27.2   11.487  7.377   1 33.571 ? 52  LYS   A C    1 ? 2 
ATOM   2400 O O    . LYS   B 1 40  ? -27.988 11.752  6.45    1 38.204 ? 52  LYS   A O    1 ? 2 
ATOM   2401 C CB   . LYS   B 1 40  ? -28.176 12.805  9.298   1 42.189 ? 52  LYS   A CB   1 ? 2 
ATOM   2402 C CG   . LYS   B 1 40  ? -28.602 11.721  10.271  1 47.348 ? 52  LYS   A CG   1 ? 2 
ATOM   2403 C CD   . LYS   B 1 40  ? -29.796 12.142  11.126  1 58.752 ? 52  LYS   A CD   1 ? 2 
ATOM   2404 C CE   . LYS   B 1 40  ? -30.325 11.008  11.963  1 60.71  ? 52  LYS   A CE   1 ? 2 
ATOM   2405 N NZ   . LYS   B 1 40  ? -31.523 11.304  12.741  1 69.639 ? 52  LYS   A NZ   1 ? 2 
ATOM   2406 H H    . LYS   B 1 40  ? -27.084 14.365  7.62    1 37.653 ? 52  LYS   A H    1 c 2 
ATOM   2407 H HA   . LYS   B 1 40  ? -26.192 12.161  9.056   1 35.274 ? 52  LYS   A HA   1 c 2 
ATOM   2408 H HB2  . LYS   B 1 40  ? -28.017 13.629  9.807   1 43.229 ? 52  LYS   A HB2  1 c 2 
ATOM   2409 H HB3  . LYS   B 1 40  ? -28.92  12.976  8.683   1 43.474 ? 52  LYS   A HB3  1 c 2 
ATOM   2410 H HG2  . LYS   B 1 40  ? -28.836 10.913  9.763   1 47.139 ? 52  LYS   A HG2  1 c 2 
ATOM   2411 H HG3  . LYS   B 1 40  ? -27.844 11.505  10.857  1 46.641 ? 52  LYS   A HG3  1 c 2 
ATOM   2412 H HD2  . LYS   B 1 40  ? -29.525 12.879  11.716  1 57.597 ? 52  LYS   A HD2  1 c 2 
ATOM   2413 H HD3  . LYS   B 1 40  ? -30.512 12.469  10.538  1 58.193 ? 52  LYS   A HD3  1 c 2 
ATOM   2414 H HE2  . LYS   B 1 40  ? -30.518 10.254  11.378  1 60.846 ? 52  LYS   A HE2  1 c 2 
ATOM   2415 H HE3  . LYS   B 1 40  ? -29.624 10.725  12.577  1 60.573 ? 52  LYS   A HE3  1 c 2 
ATOM   2416 H HZ1  . LYS   B 1 40  ? -32.213 11.488  12.183  1 69.064 ? 52  LYS   A HZ1  1 c 2 
ATOM   2417 H HZ2  . LYS   B 1 40  ? -31.372 12.021  13.274  1 68.75  ? 52  LYS   A HZ2  1 c 2 
ATOM   2418 H HZ3  . LYS   B 1 40  ? -31.738 10.59   13.256  1 68.389 ? 52  LYS   A HZ3  1 c 2 
ATOM   2419 N N    . VAL   B 1 41  ? -26.552 10.315  7.474   1 37.064 ? 53  VAL   A N    1 ? 2 
ATOM   2420 C CA   . VAL   B 1 41  ? -26.565 9.33    6.399   1 33.946 ? 53  VAL   A CA   1 ? 2 
ATOM   2421 C C    . VAL   B 1 41  ? -27.196 8.029   6.895   1 34.143 ? 53  VAL   A C    1 ? 2 
ATOM   2422 O O    . VAL   B 1 41  ? -26.895 7.597   7.999   1 36.006 ? 53  VAL   A O    1 ? 2 
ATOM   2423 C CB   . VAL   B 1 41  ? -25.16  9.091   5.846   1 35.062 ? 53  VAL   A CB   1 ? 2 
ATOM   2424 C CG1  . VAL   B 1 41  ? -25.126 8       4.82    1 36.948 ? 53  VAL   A CG1  1 ? 2 
ATOM   2425 C CG2  . VAL   B 1 41  ? -24.582 10.404  5.283   1 31.417 ? 53  VAL   A CG2  1 ? 2 
ATOM   2426 H H    . VAL   B 1 41  ? -26.088 10.122  8.238   1 34.531 ? 53  VAL   A H    1 c 2 
ATOM   2427 H HA   . VAL   B 1 41  ? -27.117 9.68    5.674   1 35.873 ? 53  VAL   A HA   1 c 2 
ATOM   2428 H HB   . VAL   B 1 41  ? -24.594 8.811   6.603   1 33.272 ? 53  VAL   A HB   1 c 2 
ATOM   2429 H HG11 . VAL   B 1 41  ? -25.966 7.987   4.331   1 37.308 ? 53  VAL   A HG11 1 c 2 
ATOM   2430 H HG12 . VAL   B 1 41  ? -24.995 7.144   5.26    1 35.584 ? 53  VAL   A HG12 1 c 2 
ATOM   2431 H HG13 . VAL   B 1 41  ? -24.396 8.159   4.2     1 35.315 ? 53  VAL   A HG13 1 c 2 
ATOM   2432 H HG21 . VAL   B 1 41  ? -23.714 10.231  4.88    1 31.305 ? 53  VAL   A HG21 1 c 2 
ATOM   2433 H HG22 . VAL   B 1 41  ? -24.479 11.05   6.002   1 32.778 ? 53  VAL   A HG22 1 c 2 
ATOM   2434 H HG23 . VAL   B 1 41  ? -25.185 10.763  4.611   1 33.468 ? 53  VAL   A HG23 1 c 2 
ATOM   2435 N N    . TYR   B 1 42  ? -28.055 7.477   6.026   1 35.458 ? 54  TYR   A N    1 ? 2 
ATOM   2436 C CA   . TYR   B 1 42  ? -28.819 6.26    6.321   1 38.779 ? 54  TYR   A CA   1 ? 2 
ATOM   2437 C C    . TYR   B 1 42  ? -28.427 5.199   5.342   1 34.232 ? 54  TYR   A C    1 ? 2 
ATOM   2438 O O    . TYR   B 1 42  ? -28.617 5.396   4.137   1 37.576 ? 54  TYR   A O    1 ? 2 
ATOM   2439 C CB   . TYR   B 1 42  ? -30.318 6.448   6.124   1 43.917 ? 54  TYR   A CB   1 ? 2 
ATOM   2440 C CG   . TYR   B 1 42  ? -30.878 7.47    7.089   1 48.636 ? 54  TYR   A CG   1 ? 2 
ATOM   2441 C CD1  . TYR   B 1 42  ? -30.735 8.831   6.808   1 50.164 ? 54  TYR   A CD1  1 ? 2 
ATOM   2442 C CD2  . TYR   B 1 42  ? -31.545 7.081   8.248   1 50.095 ? 54  TYR   A CD2  1 ? 2 
ATOM   2443 C CE1  . TYR   B 1 42  ? -31.224 9.791   7.678   1 50.229 ? 54  TYR   A CE1  1 ? 2 
ATOM   2444 C CE2  . TYR   B 1 42  ? -32.051 8.036   9.115   1 55.993 ? 54  TYR   A CE2  1 ? 2 
ATOM   2445 C CZ   . TYR   B 1 42  ? -31.861 9.384   8.844   1 54.197 ? 54  TYR   A CZ   1 ? 2 
ATOM   2446 O OH   . TYR   B 1 42  ? -32.388 10.348  9.66    1 62.633 ? 54  TYR   A OH   1 ? 2 
ATOM   2447 H H    . TYR   B 1 42  ? -28.171 7.872   5.21    1 36.273 ? 54  TYR   A H    1 c 2 
ATOM   2448 H HA   . TYR   B 1 42  ? -28.634 5.956   7.249   1 37.662 ? 54  TYR   A HA   1 c 2 
ATOM   2449 H HB2  . TYR   B 1 42  ? -30.487 6.746   5.203   1 44.454 ? 54  TYR   A HB2  1 c 2 
ATOM   2450 H HB3  . TYR   B 1 42  ? -30.77  5.586   6.266   1 44.923 ? 54  TYR   A HB3  1 c 2 
ATOM   2451 H HD1  . TYR   B 1 42  ? -30.276 9.1     6.028   1 48.451 ? 54  TYR   A HD1  1 c 2 
ATOM   2452 H HD2  . TYR   B 1 42  ? -31.652 6.164   8.446   1 51.172 ? 54  TYR   A HD2  1 c 2 
ATOM   2453 H HE1  . TYR   B 1 42  ? -31.122 10.708  7.486   1 51.419 ? 54  TYR   A HE1  1 c 2 
ATOM   2454 H HE2  . TYR   B 1 42  ? -32.496 7.771   9.902   1 55.933 ? 54  TYR   A HE2  1 c 2 
ATOM   2455 H HH   . TYR   B 1 42  ? -32.246 11.109  9.307   0 20     ? 54  TYR   A HH   1 c 2 
ATOM   2456 N N    . VAL   B 1 43  ? -27.999 4.031   5.845   1 37.883 ? 55  VAL   A N    1 ? 2 
ATOM   2457 C CA   . VAL   B 1 43  ? -27.614 2.992   4.929   1 35.478 ? 55  VAL   A CA   1 ? 2 
ATOM   2458 C C    . VAL   B 1 43  ? -28.081 1.614   5.396   1 38.845 ? 55  VAL   A C    1 ? 2 
ATOM   2459 O O    . VAL   B 1 43  ? -28.369 1.423   6.569   1 37.655 ? 55  VAL   A O    1 ? 2 
ATOM   2460 C CB   . VAL   B 1 43  ? -26.081 2.95    4.752   1 32.942 ? 55  VAL   A CB   1 ? 2 
ATOM   2461 C CG1  . VAL   B 1 43  ? -25.483 4.274   4.296   1 31.685 ? 55  VAL   A CG1  1 ? 2 
ATOM   2462 C CG2  . VAL   B 1 43  ? -25.356 2.419   5.978   1 31.826 ? 55  VAL   A CG2  1 ? 2 
ATOM   2463 H H    . VAL   B 1 43  ? -27.95  3.888   6.747   1 36.212 ? 55  VAL   A H    1 c 2 
ATOM   2464 H HA   . VAL   B 1 43  ? -28.021 3.176   4.062   1 37.163 ? 55  VAL   A HA   1 c 2 
ATOM   2465 H HB   . VAL   B 1 43  ? -25.904 2.305   4.028   1 32.972 ? 55  VAL   A HB   1 c 2 
ATOM   2466 H HG11 . VAL   B 1 43  ? -25.516 4.913   5.027   1 31.703 ? 55  VAL   A HG11 1 c 2 
ATOM   2467 H HG12 . VAL   B 1 43  ? -25.99  4.618   3.542   1 32.8   ? 55  VAL   A HG12 1 c 2 
ATOM   2468 H HG13 . VAL   B 1 43  ? -24.558 4.137   4.028   1 30.568 ? 55  VAL   A HG13 1 c 2 
ATOM   2469 H HG21 . VAL   B 1 43  ? -24.425 2.693   5.946   1 30.428 ? 55  VAL   A HG21 1 c 2 
ATOM   2470 H HG22 . VAL   B 1 43  ? -25.406 1.449   5.991   1 32.106 ? 55  VAL   A HG22 1 c 2 
ATOM   2471 H HG23 . VAL   B 1 43  ? -25.771 2.776   6.781   1 32.348 ? 55  VAL   A HG23 1 c 2 
ATOM   2472 N N    . HIS   B 1 44  ? -28.108 0.669   4.443   1 38.542 ? 56  HIS   A N    1 ? 2 
ATOM   2473 C CA   . HIS   B 1 44  ? -28.042 -0.769  4.743   1 38.526 ? 56  HIS   A CA   1 ? 2 
ATOM   2474 C C    . HIS   B 1 44  ? -26.689 -1.268  4.276   1 35.606 ? 56  HIS   A C    1 ? 2 
ATOM   2475 O O    . HIS   B 1 44  ? -26.15  -0.769  3.279   1 35.754 ? 56  HIS   A O    1 ? 2 
ATOM   2476 C CB   . HIS   B 1 44  ? -29.201 -1.605  4.15    1 40.632 ? 56  HIS   A CB   1 ? 2 
ATOM   2477 C CG   . HIS   B 1 44  ? -30.386 -1.709  5.031   1 45.014 ? 56  HIS   A CG   1 ? 2 
ATOM   2478 N ND1  . HIS   B 1 44  ? -30.24  -2.117  6.339   1 47.053 ? 56  HIS   A ND1  1 ? 2 
ATOM   2479 C CD2  . HIS   B 1 44  ? -31.631 -1.322  4.917   1 48.525 ? 56  HIS   A CD2  1 ? 2 
ATOM   2480 C CE1  . HIS   B 1 44  ? -31.428 -2.116  6.926   1 49.387 ? 56  HIS   A CE1  1 ? 2 
ATOM   2481 N NE2  . HIS   B 1 44  ? -32.285 -1.593  6.088   1 49.665 ? 56  HIS   A NE2  1 ? 2 
ATOM   2482 H H    . HIS   B 1 44  ? -28.171 0.927   3.569   1 38.963 ? 56  HIS   A H    1 c 2 
ATOM   2483 H HA   . HIS   B 1 44  ? -28.073 -0.861  5.725   1 38.18  ? 56  HIS   A HA   1 c 2 
ATOM   2484 H HB2  . HIS   B 1 44  ? -29.474 -1.201  3.297   1 42.004 ? 56  HIS   A HB2  1 c 2 
ATOM   2485 H HB3  . HIS   B 1 44  ? -28.869 -2.509  3.957   1 41.454 ? 56  HIS   A HB3  1 c 2 
ATOM   2486 H HD1  . HIS   B 1 44  ? -29.489 -2.375  6.716   0 20     ? 56  HIS   A HD1  1 c 2 
ATOM   2487 H HD2  . HIS   B 1 44  ? -32.033 -0.975  4.144   1 49.229 ? 56  HIS   A HD2  1 c 2 
ATOM   2488 H HE1  . HIS   B 1 44  ? -31.605 -2.367  7.815   1 49.716 ? 56  HIS   A HE1  1 c 2 
ATOM   2489 H HE2  . HIS   B 1 44  ? -33.13  -1.414  6.301   0 20     ? 56  HIS   A HE2  1 c 2 
ATOM   2490 N N    . TYR   B 1 45  ? -26.109 -2.217  5.025   1 34.136 ? 57  TYR   A N    1 ? 2 
ATOM   2491 C CA   . TYR   B 1 45  ? -24.793 -2.73   4.703   1 30.892 ? 57  TYR   A CA   1 ? 2 
ATOM   2492 C C    . TYR   B 1 45  ? -24.606 -4.176  5.168   1 34.49  ? 57  TYR   A C    1 ? 2 
ATOM   2493 O O    . TYR   B 1 45  ? -25.249 -4.665  6.108   1 33.46  ? 57  TYR   A O    1 ? 2 
ATOM   2494 C CB   . TYR   B 1 45  ? -23.631 -1.881  5.28    1 29.367 ? 57  TYR   A CB   1 ? 2 
ATOM   2495 C CG   . TYR   B 1 45  ? -23.46  -2.074  6.769   1 28.847 ? 57  TYR   A CG   1 ? 2 
ATOM   2496 C CD1  . TYR   B 1 45  ? -24.184 -1.305  7.683   1 29.391 ? 57  TYR   A CD1  1 ? 2 
ATOM   2497 C CD2  . TYR   B 1 45  ? -22.606 -3.041  7.26    1 26.474 ? 57  TYR   A CD2  1 ? 2 
ATOM   2498 C CE1  . TYR   B 1 45  ? -24.063 -1.598  9.044   1 28.39  ? 57  TYR   A CE1  1 ? 2 
ATOM   2499 C CE2  . TYR   B 1 45  ? -22.407 -3.277  8.599   1 27.915 ? 57  TYR   A CE2  1 ? 2 
ATOM   2500 C CZ   . TYR   B 1 45  ? -23.182 -2.542  9.512   1 30.158 ? 57  TYR   A CZ   1 ? 2 
ATOM   2501 O OH   . TYR   B 1 45  ? -22.965 -2.817  10.851  1 29.516 ? 57  TYR   A OH   1 ? 2 
ATOM   2502 H H    . TYR   B 1 45  ? -26.549 -2.551  5.753   1 34.77  ? 57  TYR   A H    1 c 2 
ATOM   2503 H HA   . TYR   B 1 45  ? -24.708 -2.721  3.716   1 32.229 ? 57  TYR   A HA   1 c 2 
ATOM   2504 H HB2  . TYR   B 1 45  ? -22.797 -2.133  4.825   1 28.387 ? 57  TYR   A HB2  1 c 2 
ATOM   2505 H HB3  . TYR   B 1 45  ? -23.81  -0.932  5.096   1 28.88  ? 57  TYR   A HB3  1 c 2 
ATOM   2506 H HD1  . TYR   B 1 45  ? -24.82  -0.675  7.383   1 29.7   ? 57  TYR   A HD1  1 c 2 
ATOM   2507 H HD2  . TYR   B 1 45  ? -22.101 -3.543  6.641   1 27.096 ? 57  TYR   A HD2  1 c 2 
ATOM   2508 H HE1  . TYR   B 1 45  ? -24.541 -1.079  9.665   1 29.791 ? 57  TYR   A HE1  1 c 2 
ATOM   2509 H HE2  . TYR   B 1 45  ? -21.819 -3.95   8.893   1 27.757 ? 57  TYR   A HE2  1 c 2 
ATOM   2510 H HH   . TYR   B 1 45  ? -23.469 -2.318  11.343  0 20     ? 57  TYR   A HH   1 c 2 
ATOM   2511 N N    . LYS   B 1 46  ? -23.665 -4.842  4.475   1 33.192 ? 58  LYS   A N    1 ? 2 
ATOM   2512 C CA   . LYS   B 1 46  ? -23.145 -6.123  4.865   1 32.461 ? 58  LYS   A CA   1 ? 2 
ATOM   2513 C C    . LYS   B 1 46  ? -21.628 -5.983  4.829   1 32.211 ? 58  LYS   A C    1 ? 2 
ATOM   2514 O O    . LYS   B 1 46  ? -21.059 -5.356  3.961   1 33.186 ? 58  LYS   A O    1 ? 2 
ATOM   2515 C CB   . LYS   B 1 46  ? -23.461 -7.33   3.949   1 36.726 ? 58  LYS   A CB   1 ? 2 
ATOM   2516 C CG   . LYS   B 1 46  ? -24.859 -7.386  3.492   1 40.057 ? 58  LYS   A CG   1 ? 2 
ATOM   2517 C CD   . LYS   B 1 46  ? -25.171 -8.645  2.678   1 44.942 ? 58  LYS   A CD   1 ? 2 
ATOM   2518 C CE   . LYS   B 1 46  ? -26.63  -8.871  2.574   1 46.495 ? 58  LYS   A CE   1 ? 2 
ATOM   2519 N NZ   . LYS   B 1 46  ? -26.834 -10.114 1.824   1 47.342 ? 58  LYS   A NZ   1 ? 2 
ATOM   2520 H H    . LYS   B 1 46  ? -23.339 -4.462  3.711   1 32.686 ? 58  LYS   A H    1 c 2 
ATOM   2521 H HA   . LYS   B 1 46  ? -23.435 -6.32   5.79    1 33.601 ? 58  LYS   A HA   1 c 2 
ATOM   2522 H HB2  . LYS   B 1 46  ? -22.878 -7.294  3.16    1 36.155 ? 58  LYS   A HB2  1 c 2 
ATOM   2523 H HB3  . LYS   B 1 46  ? -23.257 -8.158  4.434   1 36.977 ? 58  LYS   A HB3  1 c 2 
ATOM   2524 H HG2  . LYS   B 1 46  ? -25.448 -7.355  4.277   1 40.766 ? 58  LYS   A HG2  1 c 2 
ATOM   2525 H HG3  . LYS   B 1 46  ? -25.044 -6.593  2.942   1 40.084 ? 58  LYS   A HG3  1 c 2 
ATOM   2526 H HD2  . LYS   B 1 46  ? -24.793 -8.55   1.776   1 44.124 ? 58  LYS   A HD2  1 c 2 
ATOM   2527 H HD3  . LYS   B 1 46  ? -24.753 -9.421  3.108   1 44.263 ? 58  LYS   A HD3  1 c 2 
ATOM   2528 H HE2  . LYS   B 1 46  ? -27.025 -8.955  3.46    1 46.501 ? 58  LYS   A HE2  1 c 2 
ATOM   2529 H HE3  . LYS   B 1 46  ? -27.056 -8.132  2.104   1 46.402 ? 58  LYS   A HE3  1 c 2 
ATOM   2530 H HZ1  . LYS   B 1 46  ? -26.426 -10.803 2.248   1 47.985 ? 58  LYS   A HZ1  1 c 2 
ATOM   2531 H HZ2  . LYS   B 1 46  ? -26.489 -10.031 0.99    1 48.028 ? 58  LYS   A HZ2  1 c 2 
ATOM   2532 H HZ3  . LYS   B 1 46  ? -27.72  -10.289 1.762   1 50.036 ? 58  LYS   A HZ3  1 c 2 
ATOM   2533 N N    . GLY   B 1 47  ? -20.979 -6.455  5.89    1 29.903 ? 59  GLY   A N    1 ? 2 
ATOM   2534 C CA   . GLY   B 1 47  ? -19.563 -6.329  5.989   1 29.663 ? 59  GLY   A CA   1 ? 2 
ATOM   2535 C C    . GLY   B 1 47  ? -18.931 -7.629  6.428   1 29.972 ? 59  GLY   A C    1 ? 2 
ATOM   2536 O O    . GLY   B 1 47  ? -19.574 -8.454  7.111   1 31.863 ? 59  GLY   A O    1 ? 2 
ATOM   2537 H H    . GLY   B 1 47  ? -21.439 -6.866  6.564   1 31.315 ? 59  GLY   A H    1 c 2 
ATOM   2538 H HA2  . GLY   B 1 47  ? -19.196 -6.062  5.117   1 29.014 ? 59  GLY   A HA2  1 c 2 
ATOM   2539 H HA3  . GLY   B 1 47  ? -19.347 -5.62   6.64    1 28.24  ? 59  GLY   A HA3  1 c 2 
ATOM   2540 N N    . LYS   B 1 48  ? -17.69  -7.85   5.974   1 27.604 ? 60  LYS   A N    1 ? 2 
ATOM   2541 C CA   . LYS   B 1 48  ? -17     -9.059  6.299   1 27.04  ? 60  LYS   A CA   1 ? 2 
ATOM   2542 C C    . LYS   B 1 48  ? -15.494 -8.819  6.227   1 28.442 ? 60  LYS   A C    1 ? 2 
ATOM   2543 O O    . LYS   B 1 48  ? -15.052 -7.929  5.532   1 29.08  ? 60  LYS   A O    1 ? 2 
ATOM   2544 C CB   . LYS   B 1 48  ? -17.399 -10.339 5.589   1 32.452 ? 60  LYS   A CB   1 ? 2 
ATOM   2545 C CG   . LYS   B 1 48  ? -17.144 -10.201 4.091   1 34.072 ? 60  LYS   A CG   1 ? 2 
ATOM   2546 C CD   . LYS   B 1 48  ? -17.396 -11.523 3.358   1 38.997 ? 60  LYS   A CD   1 ? 2 
ATOM   2547 C CE   . LYS   B 1 48  ? -17.264 -11.302 1.885   1 46.382 ? 60  LYS   A CE   1 ? 2 
ATOM   2548 N NZ   . LYS   B 1 48  ? -17.05  -12.632 1.302   1 50.962 ? 60  LYS   A NZ   1 ? 2 
ATOM   2549 H H    . LYS   B 1 48  ? -17.275 -7.226  5.45    1 26.977 ? 60  LYS   A H    1 c 2 
ATOM   2550 H HA   . LYS   B 1 48  ? -17.201 -9.242  7.252   1 28.47  ? 60  LYS   A HA   1 c 2 
ATOM   2551 H HB2  . LYS   B 1 48  ? -16.877 -11.093 5.939   1 32.55  ? 60  LYS   A HB2  1 c 2 
ATOM   2552 H HB3  . LYS   B 1 48  ? -18.351 -10.522 5.74    1 32.854 ? 60  LYS   A HB3  1 c 2 
ATOM   2553 H HG2  . LYS   B 1 48  ? -17.738 -9.508  3.728   1 33.917 ? 60  LYS   A HG2  1 c 2 
ATOM   2554 H HG3  . LYS   B 1 48  ? -16.215 -9.921  3.946   1 33.536 ? 60  LYS   A HG3  1 c 2 
ATOM   2555 H HD2  . LYS   B 1 48  ? -16.74  -12.194 3.651   1 40.353 ? 60  LYS   A HD2  1 c 2 
ATOM   2556 H HD3  . LYS   B 1 48  ? -18.299 -11.85  3.561   1 40.777 ? 60  LYS   A HD3  1 c 2 
ATOM   2557 H HE2  . LYS   B 1 48  ? -18.076 -10.907 1.52    1 45.38  ? 60  LYS   A HE2  1 c 2 
ATOM   2558 H HE3  . LYS   B 1 48  ? -16.504 -10.727 1.685   1 44.002 ? 60  LYS   A HE3  1 c 2 
ATOM   2559 H HZ1  . LYS   B 1 48  ? -17.68  -13.21  1.603   1 51.363 ? 60  LYS   A HZ1  1 c 2 
ATOM   2560 H HZ2  . LYS   B 1 48  ? -16.228 -12.94  1.528   1 50.113 ? 60  LYS   A HZ2  1 c 2 
ATOM   2561 H HZ3  . LYS   B 1 48  ? -17.106 -12.579 0.399   1 51.292 ? 60  LYS   A HZ3  1 c 2 
ATOM   2562 N N    . LEU   B 1 49  ? -14.778 -9.657  6.962   1 28.352 ? 61  LEU   A N    1 ? 2 
ATOM   2563 C CA   . LEU   B 1 49  ? -13.328 -9.684  6.775   1 33.743 ? 61  LEU   A CA   1 ? 2 
ATOM   2564 C C    . LEU   B 1 49  ? -13.097 -10.36  5.439   1 40.821 ? 61  LEU   A C    1 ? 2 
ATOM   2565 O O    . LEU   B 1 49  ? -13.885 -11.209 5.05    1 42.38  ? 61  LEU   A O    1 ? 2 
ATOM   2566 C CB   . LEU   B 1 49  ? -12.634 -10.425 7.894   1 35.004 ? 61  LEU   A CB   1 ? 2 
ATOM   2567 C CG   . LEU   B 1 49  ? -12.866 -9.805  9.266   1 37.612 ? 61  LEU   A CG   1 ? 2 
ATOM   2568 C CD1  . LEU   B 1 49  ? -12.058 -10.686 10.234  1 46.358 ? 61  LEU   A CD1  1 ? 2 
ATOM   2569 C CD2  . LEU   B 1 49  ? -12.461 -8.336  9.14    1 35.829 ? 61  LEU   A CD2  1 ? 2 
ATOM   2570 H H    . LEU   B 1 49  ? -15.172 -10.213 7.572   1 30.371 ? 61  LEU   A H    1 c 2 
ATOM   2571 H HA   . LEU   B 1 49  ? -12.992 -8.754  6.727   1 32.517 ? 61  LEU   A HA   1 c 2 
ATOM   2572 H HB2  . LEU   B 1 49  ? -12.965 -11.352 7.907   1 37.064 ? 61  LEU   A HB2  1 c 2 
ATOM   2573 H HB3  . LEU   B 1 49  ? -11.666 -10.435 7.71    1 35.925 ? 61  LEU   A HB3  1 c 2 
ATOM   2574 H HG   . LEU   B 1 49  ? -13.83  -9.866  9.49    1 38.086 ? 61  LEU   A HG   1 c 2 
ATOM   2575 H HD11 . LEU   B 1 49  ? -12.382 -11.601 10.188  1 44.951 ? 61  LEU   A HD11 1 c 2 
ATOM   2576 H HD12 . LEU   B 1 49  ? -12.163 -10.352 11.141  1 43.649 ? 61  LEU   A HD12 1 c 2 
ATOM   2577 H HD13 . LEU   B 1 49  ? -11.118 -10.663 9.988   1 43.912 ? 61  LEU   A HD13 1 c 2 
ATOM   2578 H HD21 . LEU   B 1 49  ? -13.204 -7.822  8.782   1 35.219 ? 61  LEU   A HD21 1 c 2 
ATOM   2579 H HD22 . LEU   B 1 49  ? -11.695 -8.255  8.547   1 35.807 ? 61  LEU   A HD22 1 c 2 
ATOM   2580 H HD23 . LEU   B 1 49  ? -12.225 -7.99   10.017  1 35.607 ? 61  LEU   A HD23 1 c 2 
ATOM   2581 N N    . SER   B 1 50  ? -12.065 -9.956  4.708   1 41.362 ? 62  SER   A N    1 ? 2 
ATOM   2582 C CA   . SER   B 1 50  ? -11.782 -10.679 3.466   1 51.166 ? 62  SER   A CA   1 ? 2 
ATOM   2583 C C    . SER   B 1 50  ? -11.403 -12.152 3.793   1 47.791 ? 62  SER   A C    1 ? 2 
ATOM   2584 O O    . SER   B 1 50  ? -11.718 -13.091 3.058   1 58.829 ? 62  SER   A O    1 ? 2 
ATOM   2585 C CB   . SER   B 1 50  ? -10.752 -9.885  2.694   1 50.761 ? 62  SER   A CB   1 ? 2 
ATOM   2586 O OG   . SER   B 1 50  ? -9.502  -10.063 3.34    1 47.811 ? 62  SER   A OG   1 ? 2 
ATOM   2587 H H    . SER   B 1 50  ? -11.54  -9.253  4.965   1 41.828 ? 62  SER   A H    1 c 2 
ATOM   2588 H HA   . SER   B 1 50  ? -12.616 -10.695 2.929   1 48.709 ? 62  SER   A HA   1 c 2 
ATOM   2589 H HB2  . SER   B 1 50  ? -10.703 -10.209 1.774   1 51.314 ? 62  SER   A HB2  1 c 2 
ATOM   2590 H HB3  . SER   B 1 50  ? -10.995 -8.94   2.689   1 48.709 ? 62  SER   A HB3  1 c 2 
ATOM   2591 H HG   . SER   B 1 50  ? -8.902  -9.649  2.933   0 20     ? 62  SER   A HG   1 c 2 
ATOM   2592 N N    . ASN   B 1 51  ? -10.761 -12.383 4.962   1 63.485 ? 63  ASN   A N    1 ? 2 
ATOM   2593 C CA   . ASN   B 1 51  ? -10.574 -13.692 5.619   1 64.11  ? 63  ASN   A CA   1 ? 2 
ATOM   2594 C C    . ASN   B 1 51  ? -11.885 -14.465 5.841   1 71.45  ? 63  ASN   A C    1 ? 2 
ATOM   2595 O O    . ASN   B 1 51  ? -11.841 -15.6   6.301   1 80.697 ? 63  ASN   A O    1 ? 2 
ATOM   2596 C CB   . ASN   B 1 51  ? -9.878  -13.498 6.969   1 59.474 ? 63  ASN   A CB   1 ? 2 
ATOM   2597 H H    . ASN   B 1 51  ? -10.399 -11.655 5.379   1 57.394 ? 63  ASN   A H    1 c 2 
ATOM   2598 H HA   . ASN   B 1 51  ? -9.981  -14.237 5.054   1 66.104 ? 63  ASN   A HA   1 c 2 
ATOM   2599 H HB2  . ASN   B 1 51  ? -8.922  -13.591 6.817   0 20     ? 63  ASN   A HB2  1 c 2 
ATOM   2600 H HB3  . ASN   B 1 51  ? -10.571 -13.487 7.643   0 20     ? 63  ASN   A HB3  1 c 2 
ATOM   2601 N N    . GLY   B 1 52  ? -13.05  -13.852 5.559   1 79.454 ? 64  GLY   A N    1 ? 2 
ATOM   2602 C CA   . GLY   B 1 52  ? -14.39  -14.405 5.71    1 74.84  ? 64  GLY   A CA   1 ? 2 
ATOM   2603 C C    . GLY   B 1 52  ? -14.739 -14.83  7.14    1 73.322 ? 64  GLY   A C    1 ? 2 
ATOM   2604 O O    . GLY   B 1 52  ? -15.651 -15.622 7.323   1 71.447 ? 64  GLY   A O    1 ? 2 
ATOM   2605 H H    . GLY   B 1 52  ? -12.999 -12.994 5.255   1 73.888 ? 64  GLY   A H    1 c 2 
ATOM   2606 H HA2  . GLY   B 1 52  ? -15.043 -13.731 5.408   1 74.918 ? 64  GLY   A HA2  1 c 2 
ATOM   2607 H HA3  . GLY   B 1 52  ? -14.475 -15.186 5.114   1 77.546 ? 64  GLY   A HA3  1 c 2 
ATOM   2608 N N    . LYS   B 1 53  ? -14.04  -14.342 8.17    1 64.047 ? 65  LYS   A N    1 ? 2 
ATOM   2609 C CA   . LYS   B 1 53  ? -14.111 -15.019 9.459   1 55.926 ? 65  LYS   A CA   1 ? 2 
ATOM   2610 C C    . LYS   B 1 53  ? -15.144 -14.361 10.419  1 49.812 ? 65  LYS   A C    1 ? 2 
ATOM   2611 O O    . LYS   B 1 53  ? -15.538 -14.92  11.445  1 49.034 ? 65  LYS   A O    1 ? 2 
ATOM   2612 C CB   . LYS   B 1 53  ? -12.646 -15.259 9.853   1 57.37  ? 65  LYS   A CB   1 ? 2 
ATOM   2613 H H    . LYS   B 1 53  ? -13.532 -13.588 8.079   1 61.786 ? 65  LYS   A H    1 c 2 
ATOM   2614 H HA   . LYS   B 1 53  ? -14.456 -15.931 9.285   1 58.59  ? 65  LYS   A HA   1 c 2 
ATOM   2615 H HB2  . LYS   B 1 53  ? -12.059 -14.824 9.243   0 20     ? 65  LYS   A HB2  1 c 2 
ATOM   2616 H HB3  . LYS   B 1 53  ? -12.584 -15.872 10.686  0 20     ? 65  LYS   A HB3  1 c 2 
ATOM   2617 N N    . LYS   B 1 54  ? -15.704 -13.223 10.023  1 39.039 ? 66  LYS   A N    1 ? 2 
ATOM   2618 C CA   . LYS   B 1 54  ? -16.582 -12.409 10.834  1 38.812 ? 66  LYS   A CA   1 ? 2 
ATOM   2619 C C    . LYS   B 1 54  ? -17.436 -11.711 9.777   1 39.792 ? 66  LYS   A C    1 ? 2 
ATOM   2620 O O    . LYS   B 1 54  ? -16.816 -11.278 8.769   1 39.793 ? 66  LYS   A O    1 ? 2 
ATOM   2621 C CB   . LYS   B 1 54  ? -15.698 -11.497 11.683  1 35.826 ? 66  LYS   A CB   1 ? 2 
ATOM   2622 H H    . LYS   B 1 54  ? -15.519 -12.929 9.178   1 40.925 ? 66  LYS   A H    1 c 2 
ATOM   2623 H HA   . LYS   B 1 54  ? -17.147 -12.995 11.398  1 40.143 ? 66  LYS   A HA   1 c 2 
ATOM   2624 H HB2  . LYS   B 1 54  ? -14.766 -11.72  11.486  0 20     ? 66  LYS   A HB2  1 c 2 
ATOM   2625 H HB3  . LYS   B 1 54  ? -16.271 -10.926 12.233  0 20     ? 66  LYS   A HB3  1 c 2 
ATOM   2626 N N    . PHE   B 1 55  ? -18.777 -11.817 9.88    1 38.952 ? 67  PHE   A N    1 ? 2 
ATOM   2627 C CA   . PHE   B 1 55  ? -19.791 -11.155 9.036   1 36.612 ? 67  PHE   A CA   1 ? 2 
ATOM   2628 C C    . PHE   B 1 55  ? -20.694 -10.268 9.913   1 37.759 ? 67  PHE   A C    1 ? 2 
ATOM   2629 O O    . PHE   B 1 55  ? -20.886 -10.583 11.105  1 44.196 ? 67  PHE   A O    1 ? 2 
ATOM   2630 C CB   . PHE   B 1 55  ? -20.535 -12.378 8.391   1 39.736 ? 67  PHE   A CB   1 ? 2 
ATOM   2631 C CG   . PHE   B 1 55  ? -21.391 -11.958 7.179   1 47.752 ? 67  PHE   A CG   1 ? 2 
ATOM   2632 C CD1  . PHE   B 1 55  ? -22.713 -11.506 7.332   1 47.601 ? 67  PHE   A CD1  1 ? 2 
ATOM   2633 C CD2  . PHE   B 1 55  ? -20.862 -11.956 5.885   1 54.526 ? 67  PHE   A CD2  1 ? 2 
ATOM   2634 C CE1  . PHE   B 1 55  ? -23.497 -11.113 6.238   1 50.389 ? 67  PHE   A CE1  1 ? 2 
ATOM   2635 C CE2  . PHE   B 1 55  ? -21.646 -11.604 4.771   1 59.83  ? 67  PHE   A CE2  1 ? 2 
ATOM   2636 C CZ   . PHE   B 1 55  ? -22.958 -11.16  4.947   1 52.948 ? 67  PHE   A CZ   1 ? 2 
ATOM   2637 H H    . PHE   B 1 55  ? -19.09  -12.359 10.546  1 40.038 ? 67  PHE   A H    1 c 2 
ATOM   2638 H HA   . PHE   B 1 55  ? -19.348 -10.614 8.333   1 36.219 ? 67  PHE   A HA   1 c 2 
ATOM   2639 H HB2  . PHE   B 1 55  ? -19.87  -13.038 8.102   1 41.728 ? 67  PHE   A HB2  1 c 2 
ATOM   2640 H HB3  . PHE   B 1 55  ? -21.114 -12.791 9.069   1 42.427 ? 67  PHE   A HB3  1 c 2 
ATOM   2641 H HD1  . PHE   B 1 55  ? -23.087 -11.478 8.198   1 48.699 ? 67  PHE   A HD1  1 c 2 
ATOM   2642 H HD2  . PHE   B 1 55  ? -19.982 -12.267 5.75    1 52.977 ? 67  PHE   A HD2  1 c 2 
ATOM   2643 H HE1  . PHE   B 1 55  ? -24.387 -10.829 6.371   1 51.428 ? 67  PHE   A HE1  1 c 2 
ATOM   2644 H HE2  . PHE   B 1 55  ? -21.267 -11.621 3.907   1 56.758 ? 67  PHE   A HE2  1 c 2 
ATOM   2645 H HZ   . PHE   B 1 55  ? -23.476 -10.899 4.204   1 54.488 ? 67  PHE   A HZ   1 c 2 
ATOM   2646 N N    . ASP   B 1 56  ? -21.191 -9.146  9.391   1 31.264 ? 68  ASP   A N    1 ? 2 
ATOM   2647 C CA   . ASP   B 1 56  ? -22.004 -8.239  10.148  1 33.973 ? 68  ASP   A CA   1 ? 2 
ATOM   2648 C C    . ASP   B 1 56  ? -22.937 -7.597  9.152   1 35.538 ? 68  ASP   A C    1 ? 2 
ATOM   2649 O O    . ASP   B 1 56  ? -22.518 -7.198  8.039   1 36.615 ? 68  ASP   A O    1 ? 2 
ATOM   2650 C CB   . ASP   B 1 56  ? -21.145 -7.153  10.776  1 32.032 ? 68  ASP   A CB   1 ? 2 
ATOM   2651 C CG   . ASP   B 1 56  ? -21.911 -5.974  11.385  1 32.41  ? 68  ASP   A CG   1 ? 2 
ATOM   2652 O OD1  . ASP   B 1 56  ? -22.927 -6.235  12.026  1 33.259 ? 68  ASP   A OD1  1 ? 2 
ATOM   2653 O OD2  . ASP   B 1 56  ? -21.429 -4.808  11.283  1 33.162 ? 68  ASP   A OD2  1 ? 2 
ATOM   2654 H H    . ASP   B 1 56  ? -21.003 -8.943  8.52    1 32.612 ? 68  ASP   A H    1 c 2 
ATOM   2655 H HA   . ASP   B 1 56  ? -22.518 -8.738  10.823  1 35.192 ? 68  ASP   A HA   1 c 2 
ATOM   2656 H HB2  . ASP   B 1 56  ? -20.598 -7.556  11.482  1 32.208 ? 68  ASP   A HB2  1 c 2 
ATOM   2657 H HB3  . ASP   B 1 56  ? -20.539 -6.8    10.092  1 30.938 ? 68  ASP   A HB3  1 c 2 
ATOM   2658 N N    . SER   B 1 57  ? -24.194 -7.439  9.539   1 37.271 ? 69  SER   A N    1 ? 2 
ATOM   2659 C CA   . SER   B 1 57  ? -25.076 -6.723  8.631   1 41.696 ? 69  SER   A CA   1 ? 2 
ATOM   2660 C C    . SER   B 1 57  ? -26.275 -6.072  9.339   1 39.488 ? 69  SER   A C    1 ? 2 
ATOM   2661 O O    . SER   B 1 57  ? -26.904 -6.617  10.226  1 44.89  ? 69  SER   A O    1 ? 2 
ATOM   2662 C CB   . SER   B 1 57  ? -25.549 -7.627  7.482   1 45.574 ? 69  SER   A CB   1 ? 2 
ATOM   2663 O OG   . SER   B 1 57  ? -26.562 -8.47   7.932   1 48.431 ? 69  SER   A OG   1 ? 2 
ATOM   2664 H H    . SER   B 1 57  ? -24.505 -7.759  10.337  1 39.038 ? 69  SER   A H    1 c 2 
ATOM   2665 H HA   . SER   B 1 57  ? -24.545 -5.99   8.229   1 38.826 ? 69  SER   A HA   1 c 2 
ATOM   2666 H HB2  . SER   B 1 57  ? -25.883 -7.076  6.75    1 45.077 ? 69  SER   A HB2  1 c 2 
ATOM   2667 H HB3  . SER   B 1 57  ? -24.801 -8.16   7.153   1 44.533 ? 69  SER   A HB3  1 c 2 
ATOM   2668 H HG   . SER   B 1 57  ? -26.766 -8.955  7.177   0 20     ? 69  SER   A HG   1 c 2 
ATOM   2669 N N    . SER   B 1 58  ? -26.632 -4.898  8.801   1 40.165 ? 70  SER   A N    1 ? 2 
ATOM   2670 C CA   . SER   B 1 58  ? -27.737 -4.13   9.31    1 40.349 ? 70  SER   A CA   1 ? 2 
ATOM   2671 C C    . SER   B 1 58  ? -29.027 -4.887  9.017   1 43.702 ? 70  SER   A C    1 ? 2 
ATOM   2672 O O    . SER   B 1 58  ? -30.001 -4.778  9.72    1 46.555 ? 70  SER   A O    1 ? 2 
ATOM   2673 C CB   . SER   B 1 58  ? -27.709 -2.749  8.724   1 40.36  ? 70  SER   A CB   1 ? 2 
ATOM   2674 O OG   . SER   B 1 58  ? -27.779 -2.801  7.306   1 42.899 ? 70  SER   A OG   1 ? 2 
ATOM   2675 H H    . SER   B 1 58  ? -26.165 -4.573  8.086   1 38.422 ? 70  SER   A H    1 c 2 
ATOM   2676 H HA   . SER   B 1 58  ? -27.638 -4.056  10.292  1 40.935 ? 70  SER   A HA   1 c 2 
ATOM   2677 H HB2  . SER   B 1 58  ? -28.463 -2.236  9.069   1 41.829 ? 70  SER   A HB2  1 c 2 
ATOM   2678 H HB3  . SER   B 1 58  ? -26.885 -2.3    8.993   1 38.852 ? 70  SER   A HB3  1 c 2 
ATOM   2679 H HG   . SER   B 1 58  ? -27.759 -2.024  6.991   0 20     ? 70  SER   A HG   1 c 2 
ATOM   2680 N N    . HIS   B 1 59  ? -29.035 -5.653  7.937   1 44.975 ? 71  HIS   A N    1 ? 2 
ATOM   2681 C CA   . HIS   B 1 59  ? -30.179 -6.469  7.533   1 50.556 ? 71  HIS   A CA   1 ? 2 
ATOM   2682 C C    . HIS   B 1 59  ? -30.555 -7.423  8.648   1 51.139 ? 71  HIS   A C    1 ? 2 
ATOM   2683 O O    . HIS   B 1 59  ? -31.739 -7.738  8.794   1 59.787 ? 71  HIS   A O    1 ? 2 
ATOM   2684 C CB   . HIS   B 1 59  ? -29.789 -7.268  6.283   1 50.73  ? 71  HIS   A CB   1 ? 2 
ATOM   2685 C CG   . HIS   B 1 59  ? -29.753 -6.375  5.096   1 56.559 ? 71  HIS   A CG   1 ? 2 
ATOM   2686 N ND1  . HIS   B 1 59  ? -30.886 -5.652  4.78    1 61.606 ? 71  HIS   A ND1  1 ? 2 
ATOM   2687 C CD2  . HIS   B 1 59  ? -28.783 -6.013  4.244   1 64.185 ? 71  HIS   A CD2  1 ? 2 
ATOM   2688 C CE1  . HIS   B 1 59  ? -30.627 -4.923  3.711   1 62.187 ? 71  HIS   A CE1  1 ? 2 
ATOM   2689 N NE2  . HIS   B 1 59  ? -29.353 -5.116  3.364   1 64.433 ? 71  HIS   A NE2  1 ? 2 
ATOM   2690 H H    . HIS   B 1 59  ? -28.292 -5.663  7.405   1 43.825 ? 71  HIS   A H    1 c 2 
ATOM   2691 H HA   . HIS   B 1 59  ? -30.951 -5.88   7.344   1 51.085 ? 71  HIS   A HA   1 c 2 
ATOM   2692 H HB2  . HIS   B 1 59  ? -28.902 -7.668  6.418   1 50.647 ? 71  HIS   A HB2  1 c 2 
ATOM   2693 H HB3  . HIS   B 1 59  ? -30.448 -7.98   6.135   1 54.625 ? 71  HIS   A HB3  1 c 2 
ATOM   2694 H HD1  . HIS   B 1 59  ? -31.547 -5.654  5.003   0 20     ? 71  HIS   A HD1  1 c 2 
ATOM   2695 H HD2  . HIS   B 1 59  ? -27.903 -6.334  4.216   1 60.037 ? 71  HIS   A HD2  1 c 2 
ATOM   2696 H HE1  . HIS   B 1 59  ? -31.235 -4.346  3.281   1 63.875 ? 71  HIS   A HE1  1 c 2 
ATOM   2697 H HE2  . HIS   B 1 59  ? -28.612 -4.851  2.669   0 20     ? 71  HIS   A HE2  1 c 2 
ATOM   2698 N N    . ASP   B 1 60  ? -29.554 -7.919  9.394   1 51.516 ? 72  ASP   A N    1 ? 2 
ATOM   2699 C CA   . ASP   B 1 60  ? -29.836 -8.84   10.494  1 60.68  ? 72  ASP   A CA   1 ? 2 
ATOM   2700 C C    . ASP   B 1 60  ? -30.651 -8.152  11.564  1 57.409 ? 72  ASP   A C    1 ? 2 
ATOM   2701 O O    . ASP   B 1 60  ? -31.338 -8.834  12.257  1 60.281 ? 72  ASP   A O    1 ? 2 
ATOM   2702 C CB   . ASP   B 1 60  ? -28.639 -9.345  11.281  1 63.902 ? 72  ASP   A CB   1 ? 2 
ATOM   2703 C CG   . ASP   B 1 60  ? -27.764 -10.289 10.5    1 68.703 ? 72  ASP   A CG   1 ? 2 
ATOM   2704 O OD1  . ASP   B 1 60  ? -28.344 -11.142 9.834   1 87.049 ? 72  ASP   A OD1  1 ? 2 
ATOM   2705 O OD2  . ASP   B 1 60  ? -26.543 -10.127 10.546  1 77.085 ? 72  ASP   A OD2  1 ? 2 
ATOM   2706 H H    . ASP   B 1 60  ? -28.687 -7.697  9.209   1 50.133 ? 72  ASP   A H    1 c 2 
ATOM   2707 H HA   . ASP   B 1 60  ? -30.346 -9.604  10.143  1 61.298 ? 72  ASP   A HA   1 c 2 
ATOM   2708 H HB2  . ASP   B 1 60  ? -28.096 -8.582  11.571  1 61.782 ? 72  ASP   A HB2  1 c 2 
ATOM   2709 H HB3  . ASP   B 1 60  ? -28.948 -9.82   12.082  1 65.419 ? 72  ASP   A HB3  1 c 2 
ATOM   2710 N N    . ARG   B 1 61  ? -30.492 -6.843  11.743  1 56.143 ? 73  ARG   A N    1 ? 2 
ATOM   2711 C CA   . ARG   B 1 61  ? -31.258 -6.082  12.724  1 56.275 ? 73  ARG   A CA   1 ? 2 
ATOM   2712 C C    . ARG   B 1 61  ? -32.522 -5.49   12.093  1 55.517 ? 73  ARG   A C    1 ? 2 
ATOM   2713 O O    . ARG   B 1 61  ? -33.32  -4.852  12.766  1 55.7   ? 73  ARG   A O    1 ? 2 
ATOM   2714 C CB   . ARG   B 1 61  ? -30.235 -5.078  13.276  1 55.894 ? 73  ARG   A CB   1 ? 2 
ATOM   2715 C CG   . ARG   B 1 61  ? -28.999 -5.794  13.849  1 51.203 ? 73  ARG   A CG   1 ? 2 
ATOM   2716 C CD   . ARG   B 1 61  ? -27.927 -4.866  14.363  1 47.485 ? 73  ARG   A CD   1 ? 2 
ATOM   2717 N NE   . ARG   B 1 61  ? -27.296 -4.017  13.321  1 44.806 ? 73  ARG   A NE   1 ? 2 
ATOM   2718 C CZ   . ARG   B 1 61  ? -26.07  -4.175  12.755  1 46.614 ? 73  ARG   A CZ   1 ? 2 
ATOM   2719 N NH1  . ARG   B 1 61  ? -25.33  -5.235  12.96   1 45.074 ? 73  ARG   A NH1  1 ? 2 
ATOM   2720 N NH2  . ARG   B 1 61  ? -25.634 -3.245  11.912  1 38.546 ? 73  ARG   A NH2  1 ? 2 
ATOM   2721 H H    . ARG   B 1 61  ? -29.872 -6.401  11.238  1 53.431 ? 73  ARG   A H    1 c 2 
ATOM   2722 H HA   . ARG   B 1 61  ? -31.528 -6.692  13.457  1 58.255 ? 73  ARG   A HA   1 c 2 
ATOM   2723 H HB2  . ARG   B 1 61  ? -29.953 -4.471  12.558  1 52.907 ? 73  ARG   A HB2  1 c 2 
ATOM   2724 H HB3  . ARG   B 1 61  ? -30.654 -4.542  13.982  1 55.664 ? 73  ARG   A HB3  1 c 2 
ATOM   2725 H HG2  . ARG   B 1 61  ? -29.284 -6.38   14.583  1 53.382 ? 73  ARG   A HG2  1 c 2 
ATOM   2726 H HG3  . ARG   B 1 61  ? -28.607 -6.366  13.154  1 50.79  ? 73  ARG   A HG3  1 c 2 
ATOM   2727 H HD2  . ARG   B 1 61  ? -28.322 -4.287  15.046  1 48.747 ? 73  ARG   A HD2  1 c 2 
ATOM   2728 H HD3  . ARG   B 1 61  ? -27.234 -5.403  14.798  1 47.242 ? 73  ARG   A HD3  1 c 2 
ATOM   2729 H HE   . ARG   B 1 61  ? -27.763 -3.339  13.037  1 45.933 ? 73  ARG   A HE   1 c 2 
ATOM   2730 H HH11 . ARG   B 1 61  ? -25.696 -6.039  12.928  1 46.731 ? 73  ARG   A HH11 1 c 2 
ATOM   2731 H HH12 . ARG   B 1 61  ? -24.467 -5.143  13.129  1 44.128 ? 73  ARG   A HH12 1 c 2 
ATOM   2732 H HH21 . ARG   B 1 61  ? -26.208 -2.725  11.487  1 40.658 ? 73  ARG   A HH21 1 c 2 
ATOM   2733 H HH22 . ARG   B 1 61  ? -24.765 -3.148  11.783  1 38.733 ? 73  ARG   A HH22 1 c 2 
ATOM   2734 N N    . ASN   B 1 62  ? -32.636 -5.661  10.765  1 56.306 ? 74  ASN   A N    1 ? 2 
ATOM   2735 C CA   . ASN   B 1 62  ? -33.713 -5.142  9.921   1 60.072 ? 74  ASN   A CA   1 ? 2 
ATOM   2736 C C    . ASN   B 1 62  ? -33.96  -3.641  10.143  1 57.614 ? 74  ASN   A C    1 ? 2 
ATOM   2737 O O    . ASN   B 1 62  ? -35.103 -3.195  10.1    1 59.314 ? 74  ASN   A O    1 ? 2 
ATOM   2738 C CB   . ASN   B 1 62  ? -34.925 -6.077  10.057  1 66.371 ? 74  ASN   A CB   1 ? 2 
ATOM   2739 C CG   . ASN   B 1 62  ? -35.903 -5.903  8.914   1 66.578 ? 74  ASN   A CG   1 ? 2 
ATOM   2740 O OD1  . ASN   B 1 62  ? -35.51  -5.691  7.759   1 66.429 ? 74  ASN   A OD1  1 ? 2 
ATOM   2741 N ND2  . ASN   B 1 62  ? -37.165 -5.84   9.238   1 69.315 ? 74  ASN   A ND2  1 ? 2 
ATOM   2742 H H    . ASN   B 1 62  ? -31.98  -6.137  10.347  1 55.149 ? 74  ASN   A H    1 c 2 
ATOM   2743 H HA   . ASN   B 1 62  ? -33.403 -5.231  8.992   1 58.722 ? 74  ASN   A HA   1 c 2 
ATOM   2744 H HB2  . ASN   B 1 62  ? -34.615 -7.004  10.077  1 65.592 ? 74  ASN   A HB2  1 c 2 
ATOM   2745 H HB3  . ASN   B 1 62  ? -35.38  -5.891  10.903  1 66.861 ? 74  ASN   A HB3  1 c 2 
ATOM   2746 H HD21 . ASN   B 1 62  ? -37.75  -5.492  8.669   1 71.161 ? 74  ASN   A HD21 1 c 2 
ATOM   2747 H HD22 . ASN   B 1 62  ? -37.442 -6.149  10.023  1 71.232 ? 74  ASN   A HD22 1 c 2 
ATOM   2748 N N    . GLU   B 1 63  ? -32.895 -2.865  10.345  1 55.653 ? 75  GLU   A N    1 ? 2 
ATOM   2749 C CA   . GLU   B 1 63  ? -32.961 -1.444  10.668  1 56.582 ? 75  GLU   A CA   1 ? 2 
ATOM   2750 C C    . GLU   B 1 63  ? -31.733 -0.742  10.092  1 49.563 ? 75  GLU   A C    1 ? 2 
ATOM   2751 O O    . GLU   B 1 63  ? -30.62  -1.285  10.176  1 46.186 ? 75  GLU   A O    1 ? 2 
ATOM   2752 C CB   . GLU   B 1 63  ? -32.895 -1.174  12.17   1 59.096 ? 75  GLU   A CB   1 ? 2 
ATOM   2753 C CG   . GLU   B 1 63  ? -34.242 -1.393  12.835  1 65.057 ? 75  GLU   A CG   1 ? 2 
ATOM   2754 C CD   . GLU   B 1 63  ? -35.419 -0.613  12.238  1 69.289 ? 75  GLU   A CD   1 ? 2 
ATOM   2755 O OE1  . GLU   B 1 63  ? -36.52  -1.172  12.095  1 67.137 ? 75  GLU   A OE1  1 ? 2 
ATOM   2756 O OE2  . GLU   B 1 63  ? -35.247 0.571   11.91   1 78.108 ? 75  GLU   A OE2  1 ? 2 
ATOM   2757 H H    . GLU   B 1 63  ? -32.068 -3.246  10.27   1 53.731 ? 75  GLU   A H    1 c 2 
ATOM   2758 H HA   . GLU   B 1 63  ? -33.781 -1.062  10.275  1 57.688 ? 75  GLU   A HA   1 c 2 
ATOM   2759 H HB2  . GLU   B 1 63  ? -32.227 -1.767  12.573  1 57.897 ? 75  GLU   A HB2  1 c 2 
ATOM   2760 H HB3  . GLU   B 1 63  ? -32.606 -0.249  12.318  1 57.875 ? 75  GLU   A HB3  1 c 2 
ATOM   2761 H HG2  . GLU   B 1 63  ? -34.458 -2.349  12.798  1 66.161 ? 75  GLU   A HG2  1 c 2 
ATOM   2762 H HG3  . GLU   B 1 63  ? -34.166 -1.152  13.783  1 65.482 ? 75  GLU   A HG3  1 c 2 
ATOM   2763 N N    . PRO   B 1 64  ? -31.895 0.458   9.492   1 48.879 ? 76  PRO   A N    1 ? 2 
ATOM   2764 C CA   . PRO   B 1 64  ? -30.765 1.091   8.853   1 46.235 ? 76  PRO   A CA   1 ? 2 
ATOM   2765 C C    . PRO   B 1 64  ? -29.675 1.465   9.863   1 40.305 ? 76  PRO   A C    1 ? 2 
ATOM   2766 O O    . PRO   B 1 64  ? -29.952 1.736   11.012  1 41.298 ? 76  PRO   A O    1 ? 2 
ATOM   2767 C CB   . PRO   B 1 64  ? -31.378 2.292   8.143   1 47.485 ? 76  PRO   A CB   1 ? 2 
ATOM   2768 C CG   . PRO   B 1 64  ? -32.838 2.3     8.374   1 53.167 ? 76  PRO   A CG   1 ? 2 
ATOM   2769 C CD   . PRO   B 1 64  ? -33.143 1.22    9.369   1 49.985 ? 76  PRO   A CD   1 ? 2 
ATOM   2770 H HA   . PRO   B 1 64  ? -30.391 0.48    8.184   1 44.666 ? 76  PRO   A HA   1 c 2 
ATOM   2771 H HB2  . PRO   B 1 64  ? -30.981 3.12    8.477   1 46.846 ? 76  PRO   A HB2  1 c 2 
ATOM   2772 H HB3  . PRO   B 1 64  ? -31.19  2.247   7.186   1 47.285 ? 76  PRO   A HB3  1 c 2 
ATOM   2773 H HG2  . PRO   B 1 64  ? -33.123 3.169   8.721   1 52.201 ? 76  PRO   A HG2  1 c 2 
ATOM   2774 H HG3  . PRO   B 1 64  ? -33.316 2.132   7.537   1 52.664 ? 76  PRO   A HG3  1 c 2 
ATOM   2775 H HD2  . PRO   B 1 64  ? -33.399 1.6     10.232  1 52.35  ? 76  PRO   A HD2  1 c 2 
ATOM   2776 H HD3  . PRO   B 1 64  ? -33.865 0.647   9.046   1 53.444 ? 76  PRO   A HD3  1 c 2 
ATOM   2777 N N    . PHE   B 1 65  ? -28.442 1.567   9.393   1 35.378 ? 77  PHE   A N    1 ? 2 
ATOM   2778 C CA   . PHE   B 1 65  ? -27.332 2.102   10.166  1 34.689 ? 77  PHE   A CA   1 ? 2 
ATOM   2779 C C    . PHE   B 1 65  ? -27.201 3.597   9.828   1 37.409 ? 77  PHE   A C    1 ? 2 
ATOM   2780 O O    . PHE   B 1 65  ? -27.308 3.926   8.653   1 33.744 ? 77  PHE   A O    1 ? 2 
ATOM   2781 C CB   . PHE   B 1 65  ? -26.081 1.368   9.744   1 32.574 ? 77  PHE   A CB   1 ? 2 
ATOM   2782 C CG   . PHE   B 1 65  ? -24.835 1.859   10.424  1 29.132 ? 77  PHE   A CG   1 ? 2 
ATOM   2783 C CD1  . PHE   B 1 65  ? -24.561 1.481   11.712  1 31.869 ? 77  PHE   A CD1  1 ? 2 
ATOM   2784 C CD2  . PHE   B 1 65  ? -23.982 2.765   9.801   1 30.838 ? 77  PHE   A CD2  1 ? 2 
ATOM   2785 C CE1  . PHE   B 1 65  ? -23.394 1.925   12.337  1 30.652 ? 77  PHE   A CE1  1 ? 2 
ATOM   2786 C CE2  . PHE   B 1 65  ? -22.826 3.2     10.424  1 29.053 ? 77  PHE   A CE2  1 ? 2 
ATOM   2787 C CZ   . PHE   B 1 65  ? -22.551 2.799   11.693  1 31.028 ? 77  PHE   A CZ   1 ? 2 
ATOM   2788 H H    . PHE   B 1 65  ? -28.279 1.29    8.538   1 35.711 ? 77  PHE   A H    1 c 2 
ATOM   2789 H HA   . PHE   B 1 65  ? -27.494 1.977   11.138  1 35.861 ? 77  PHE   A HA   1 c 2 
ATOM   2790 H HB2  . PHE   B 1 65  ? -26.199 0.413   9.943   1 32.671 ? 77  PHE   A HB2  1 c 2 
ATOM   2791 H HB3  . PHE   B 1 65  ? -25.973 1.465   8.772   1 31.643 ? 77  PHE   A HB3  1 c 2 
ATOM   2792 H HD1  . PHE   B 1 65  ? -25.13  0.871   12.154  1 32.551 ? 77  PHE   A HD1  1 c 2 
ATOM   2793 H HD2  . PHE   B 1 65  ? -24.163 3.036   8.916   1 29.796 ? 77  PHE   A HD2  1 c 2 
ATOM   2794 H HE1  . PHE   B 1 65  ? -23.2   1.649   13.219  1 31.544 ? 77  PHE   A HE1  1 c 2 
ATOM   2795 H HE2  . PHE   B 1 65  ? -22.25  3.803   9.982   1 28.716 ? 77  PHE   A HE2  1 c 2 
ATOM   2796 H HZ   . PHE   B 1 65  ? -21.772 3.11    12.128  1 29.674 ? 77  PHE   A HZ   1 c 2 
ATOM   2797 N N    . VAL   B 1 66  ? -27.065 4.42    10.87   1 36.404 ? 78  VAL   A N    1 ? 2 
ATOM   2798 C CA   . VAL   B 1 66  ? -27.161 5.873   10.726  1 36.417 ? 78  VAL   A CA   1 ? 2 
ATOM   2799 C C    . VAL   B 1 66  ? -25.867 6.458   11.271  1 36.395 ? 78  VAL   A C    1 ? 2 
ATOM   2800 O O    . VAL   B 1 66  ? -25.333 6.001   12.293  1 36.226 ? 78  VAL   A O    1 ? 2 
ATOM   2801 C CB   . VAL   B 1 66  ? -28.386 6.49    11.437  1 39.658 ? 78  VAL   A CB   1 ? 2 
ATOM   2802 C CG1  . VAL   B 1 66  ? -28.483 7.961   11.076  1 40.41  ? 78  VAL   A CG1  1 ? 2 
ATOM   2803 C CG2  . VAL   B 1 66  ? -29.691 5.755   11.113  1 43.085 ? 78  VAL   A CG2  1 ? 2 
ATOM   2804 H H    . VAL   B 1 66  ? -26.905 4.072   11.7    1 36.868 ? 78  VAL   A H    1 c 2 
ATOM   2805 H HA   . VAL   B 1 66  ? -27.22  6.083   9.777   1 36.438 ? 78  VAL   A HA   1 c 2 
ATOM   2806 H HB   . VAL   B 1 66  ? -28.228 6.422   12.408  1 40.338 ? 78  VAL   A HB   1 c 2 
ATOM   2807 H HG11 . VAL   B 1 66  ? -28.411 8.065   10.113  1 39.626 ? 78  VAL   A HG11 1 c 2 
ATOM   2808 H HG12 . VAL   B 1 66  ? -27.765 8.452   11.509  1 39.633 ? 78  VAL   A HG12 1 c 2 
ATOM   2809 H HG13 . VAL   B 1 66  ? -29.338 8.311   11.375  1 42.46  ? 78  VAL   A HG13 1 c 2 
ATOM   2810 H HG21 . VAL   B 1 66  ? -30.44  6.232   11.509  1 44.673 ? 78  VAL   A HG21 1 c 2 
ATOM   2811 H HG22 . VAL   B 1 66  ? -29.655 4.854   11.474  1 42.721 ? 78  VAL   A HG22 1 c 2 
ATOM   2812 H HG23 . VAL   B 1 66  ? -29.81  5.712   10.149  1 42.332 ? 78  VAL   A HG23 1 c 2 
ATOM   2813 N N    . PHE   B 1 67  ? -25.268 7.446   10.536  1 34.403 ? 79  PHE   A N    1 ? 2 
ATOM   2814 C CA   . PHE   B 1 67  ? -24.06  8.107   11.032  1 31.622 ? 79  PHE   A CA   1 ? 2 
ATOM   2815 C C    . PHE   B 1 67  ? -23.923 9.469   10.368  1 32.562 ? 79  PHE   A C    1 ? 2 
ATOM   2816 O O    . PHE   B 1 67  ? -24.622 9.73    9.379   1 31.041 ? 79  PHE   A O    1 ? 2 
ATOM   2817 C CB   . PHE   B 1 67  ? -22.81  7.267   10.753  1 30.06  ? 79  PHE   A CB   1 ? 2 
ATOM   2818 C CG   . PHE   B 1 67  ? -22.296 7.178   9.316   1 28.976 ? 79  PHE   A CG   1 ? 2 
ATOM   2819 C CD1  . PHE   B 1 67  ? -22.984 6.38    8.42    1 29.122 ? 79  PHE   A CD1  1 ? 2 
ATOM   2820 C CD2  . PHE   B 1 67  ? -21.229 7.95    8.873   1 28.291 ? 79  PHE   A CD2  1 ? 2 
ATOM   2821 C CE1  . PHE   B 1 67  ? -22.576 6.297   7.104   1 30.722 ? 79  PHE   A CE1  1 ? 2 
ATOM   2822 C CE2  . PHE   B 1 67  ? -20.812 7.881   7.572   1 29.736 ? 79  PHE   A CE2  1 ? 2 
ATOM   2823 C CZ   . PHE   B 1 67  ? -21.469 7.055   6.685   1 25.838 ? 79  PHE   A CZ   1 ? 2 
ATOM   2824 H H    . PHE   B 1 67  ? -25.619 7.697   9.731   1 34.353 ? 79  PHE   A H    1 c 2 
ATOM   2825 H HA   . PHE   B 1 67  ? -24.146 8.238   12.014  1 33.152 ? 79  PHE   A HA   1 c 2 
ATOM   2826 H HB2  . PHE   B 1 67  ? -22.083 7.619   11.314  1 29.821 ? 79  PHE   A HB2  1 c 2 
ATOM   2827 H HB3  . PHE   B 1 67  ? -22.986 6.354   11.071  1 30.042 ? 79  PHE   A HB3  1 c 2 
ATOM   2828 H HD1  . PHE   B 1 67  ? -23.719 5.868   8.718   1 30.43  ? 79  PHE   A HD1  1 c 2 
ATOM   2829 H HD2  . PHE   B 1 67  ? -20.773 8.508   9.482   1 28.972 ? 79  PHE   A HD2  1 c 2 
ATOM   2830 H HE1  . PHE   B 1 67  ? -23.028 5.731   6.498   1 29.461 ? 79  PHE   A HE1  1 c 2 
ATOM   2831 H HE2  . PHE   B 1 67  ? -20.069 8.388   7.286   1 27.895 ? 79  PHE   A HE2  1 c 2 
ATOM   2832 H HZ   . PHE   B 1 67  ? -21.183 7.008   5.787   1 27.292 ? 79  PHE   A HZ   1 c 2 
ATOM   2833 N N    . SER   B 1 68  ? -23.067 10.321  10.965  1 32.072 ? 80  SER   A N    1 ? 2 
ATOM   2834 C CA   . SER   B 1 68  ? -22.825 11.631  10.389  1 32.611 ? 80  SER   A CA   1 ? 2 
ATOM   2835 C C    . SER   B 1 68  ? -21.564 11.539  9.556   1 27.159 ? 80  SER   A C    1 ? 2 
ATOM   2836 O O    . SER   B 1 68  ? -20.513 11.166  10.046  1 29.578 ? 80  SER   A O    1 ? 2 
ATOM   2837 C CB   . SER   B 1 68  ? -22.681 12.712  11.43   1 36.472 ? 80  SER   A CB   1 ? 2 
ATOM   2838 O OG   . SER   B 1 68  ? -23.907 12.802  12.127  1 41.826 ? 80  SER   A OG   1 ? 2 
ATOM   2839 H H    . SER   B 1 68  ? -22.635 10.08   11.734  1 32.224 ? 80  SER   A H    1 c 2 
ATOM   2840 H HA   . SER   B 1 68  ? -23.583 11.862  9.797   1 32.778 ? 80  SER   A HA   1 c 2 
ATOM   2841 H HB2  . SER   B 1 68  ? -21.961 12.485  12.048  1 36.434 ? 80  SER   A HB2  1 c 2 
ATOM   2842 H HB3  . SER   B 1 68  ? -22.478 13.564  10.999  1 37.06  ? 80  SER   A HB3  1 c 2 
ATOM   2843 H HG   . SER   B 1 68  ? -23.789 13.397  12.746  0 20     ? 80  SER   A HG   1 c 2 
ATOM   2844 N N    . LEU   B 1 69  ? -21.652 12.027  8.31    1 27.169 ? 81  LEU   A N    1 ? 2 
ATOM   2845 C CA   . LEU   B 1 69  ? -20.557 11.77   7.393   1 25.608 ? 81  LEU   A CA   1 ? 2 
ATOM   2846 C C    . LEU   B 1 69  ? -19.366 12.656  7.742   1 25.832 ? 81  LEU   A C    1 ? 2 
ATOM   2847 O O    . LEU   B 1 69  ? -19.519 13.827  8.034   1 28.896 ? 81  LEU   A O    1 ? 2 
ATOM   2848 C CB   . LEU   B 1 69  ? -21.005 12.003  5.963   1 30.96  ? 81  LEU   A CB   1 ? 2 
ATOM   2849 C CG   . LEU   B 1 69  ? -19.927 11.746  4.882   1 30.289 ? 81  LEU   A CG   1 ? 2 
ATOM   2850 C CD1  . LEU   B 1 69  ? -19.741 10.262  4.695   1 31.711 ? 81  LEU   A CD1  1 ? 2 
ATOM   2851 C CD2  . LEU   B 1 69  ? -20.429 12.48   3.632   1 37.834 ? 81  LEU   A CD2  1 ? 2 
ATOM   2852 H H    . LEU   B 1 69  ? -22.376 12.513  8.037   1 28.173 ? 81  LEU   A H    1 c 2 
ATOM   2853 H HA   . LEU   B 1 69  ? -20.287 10.821  7.494   1 25.551 ? 81  LEU   A HA   1 c 2 
ATOM   2854 H HB2  . LEU   B 1 69  ? -21.776 11.417  5.781   1 29.848 ? 81  LEU   A HB2  1 c 2 
ATOM   2855 H HB3  . LEU   B 1 69  ? -21.31  12.937  5.885   1 30.868 ? 81  LEU   A HB3  1 c 2 
ATOM   2856 H HG   . LEU   B 1 69  ? -19.071 12.151  5.173   1 31.609 ? 81  LEU   A HG   1 c 2 
ATOM   2857 H HD11 . LEU   B 1 69  ? -19.409 9.869   5.52    1 30.293 ? 81  LEU   A HD11 1 c 2 
ATOM   2858 H HD12 . LEU   B 1 69  ? -19.1   10.102  3.982   1 30.5   ? 81  LEU   A HD12 1 c 2 
ATOM   2859 H HD13 . LEU   B 1 69  ? -20.591 9.854   4.462   1 31.143 ? 81  LEU   A HD13 1 c 2 
ATOM   2860 H HD21 . LEU   B 1 69  ? -20.347 13.438  3.764   1 36.422 ? 81  LEU   A HD21 1 c 2 
ATOM   2861 H HD22 . LEU   B 1 69  ? -21.359 12.253  3.473   1 36.125 ? 81  LEU   A HD22 1 c 2 
ATOM   2862 H HD23 . LEU   B 1 69  ? -19.896 12.214  2.864   1 35.312 ? 81  LEU   A HD23 1 c 2 
ATOM   2863 N N    . GLY   B 1 70  ? -18.195 12.056  7.684   1 26.752 ? 82  GLY   A N    1 ? 2 
ATOM   2864 C CA   . GLY   B 1 70  ? -16.939 12.799  7.612   1 28.888 ? 82  GLY   A CA   1 ? 2 
ATOM   2865 C C    . GLY   B 1 70  ? -16.387 13.198  8.951   1 33.139 ? 82  GLY   A C    1 ? 2 
ATOM   2866 O O    . GLY   B 1 70  ? -15.578 14.161  8.991   1 38.34  ? 82  GLY   A O    1 ? 2 
ATOM   2867 H H    . GLY   B 1 70  ? -18.163 11.144  7.693   1 25.721 ? 82  GLY   A H    1 c 2 
ATOM   2868 H HA2  . GLY   B 1 70  ? -16.272 12.246  7.143   1 28.341 ? 82  GLY   A HA2  1 c 2 
ATOM   2869 H HA3  . GLY   B 1 70  ? -17.083 13.611  7.07    1 29.877 ? 82  GLY   A HA3  1 c 2 
ATOM   2870 N N    . LYS   B 1 71  ? -17.028 12.654  10.027  1 30.105 ? 83  LYS   A N    1 ? 2 
ATOM   2871 C CA   . LYS   B 1 71  ? -16.7   12.986  11.39   1 36.917 ? 83  LYS   A CA   1 ? 2 
ATOM   2872 C C    . LYS   B 1 71  ? -15.854 11.859  11.997  1 34.556 ? 83  LYS   A C    1 ? 2 
ATOM   2873 O O    . LYS   B 1 71  ? -15.487 11.932  13.153  1 41.137 ? 83  LYS   A O    1 ? 2 
ATOM   2874 C CB   . LYS   B 1 71  ? -18.027 13.33   12.097  1 32.028 ? 83  LYS   A CB   1 ? 2 
ATOM   2875 H H    . LYS   B 1 71  ? -17.684 12.035  9.881   1 31.278 ? 83  LYS   A H    1 c 2 
ATOM   2876 H HA   . LYS   B 1 71  ? -16.148 13.808  11.381  1 35.213 ? 83  LYS   A HA   1 c 2 
ATOM   2877 H HB2  . LYS   B 1 71  ? -17.836 13.784  12.938  0 20     ? 83  LYS   A HB2  1 c 2 
ATOM   2878 H HB3  . LYS   B 1 71  ? -18.774 13.053  11.51   0 20     ? 83  LYS   A HB3  1 c 2 
ATOM   2879 N N    . GLY   B 1 72  ? -15.418 10.865  11.221  1 33.312 ? 84  GLY   A N    1 ? 2 
ATOM   2880 C CA   . GLY   B 1 72  ? -14.631 9.738   11.739  1 34.393 ? 84  GLY   A CA   1 ? 2 
ATOM   2881 C C    . GLY   B 1 72  ? -15.383 8.84    12.75   1 36.472 ? 84  GLY   A C    1 ? 2 
ATOM   2882 O O    . GLY   B 1 72  ? -14.706 8.107   13.488  1 34.424 ? 84  GLY   A O    1 ? 2 
ATOM   2883 H H    . GLY   B 1 72  ? -15.613 10.88   10.329  1 32.924 ? 84  GLY   A H    1 c 2 
ATOM   2884 H HA2  . GLY   B 1 72  ? -14.34  9.185   10.977  1 33.395 ? 84  GLY   A HA2  1 c 2 
ATOM   2885 H HA3  . GLY   B 1 72  ? -13.82  10.096  12.171  1 35.211 ? 84  GLY   A HA3  1 c 2 
ATOM   2886 N N    . GLN   B 1 73  ? -16.743 8.913   12.759  1 34.076 ? 85  GLN   A N    1 ? 2 
ATOM   2887 C CA   . GLN   B 1 73  ? -17.678 8.023   13.437  1 31.364 ? 85  GLN   A CA   1 ? 2 
ATOM   2888 C C    . GLN   B 1 73  ? -17.666 6.581   12.919  1 29.378 ? 85  GLN   A C    1 ? 2 
ATOM   2889 O O    . GLN   B 1 73  ? -18.15  5.624   13.562  1 29.261 ? 85  GLN   A O    1 ? 2 
ATOM   2890 C CB   . GLN   B 1 73  ? -19.122 8.498   13.329  1 36.227 ? 85  GLN   A CB   1 ? 2 
ATOM   2891 C CG   . GLN   B 1 73  ? -19.435 9.71    14.187  1 41.759 ? 85  GLN   A CG   1 ? 2 
ATOM   2892 C CD   . GLN   B 1 73  ? -20.819 10.288  13.962  1 41.502 ? 85  GLN   A CD   1 ? 2 
ATOM   2893 O OE1  . GLN   B 1 73  ? -21.735 9.686   13.391  1 39.237 ? 85  GLN   A OE1  1 ? 2 
ATOM   2894 N NE2  . GLN   B 1 73  ? -20.987 11.516  14.414  1 50.26  ? 85  GLN   A NE2  1 ? 2 
ATOM   2895 H H    . GLN   B 1 73  ? -17.113 9.595   12.277  1 34.149 ? 85  GLN   A H    1 c 2 
ATOM   2896 H HA   . GLN   B 1 73  ? -17.435 8.005   14.398  1 33.414 ? 85  GLN   A HA   1 c 2 
ATOM   2897 H HB2  . GLN   B 1 73  ? -19.312 8.714   12.393  1 35.371 ? 85  GLN   A HB2  1 c 2 
ATOM   2898 H HB3  . GLN   B 1 73  ? -19.716 7.764   13.591  1 36.068 ? 85  GLN   A HB3  1 c 2 
ATOM   2899 H HG2  . GLN   B 1 73  ? -19.351 9.463   15.133  1 41.48  ? 85  GLN   A HG2  1 c 2 
ATOM   2900 H HG3  . GLN   B 1 73  ? -18.772 10.409  14.005  1 40.683 ? 85  GLN   A HG3  1 c 2 
ATOM   2901 H HE21 . GLN   B 1 73  ? -21.785 11.901  14.358  1 48.768 ? 85  GLN   A HE21 1 c 2 
ATOM   2902 H HE22 . GLN   B 1 73  ? -20.307 11.958  14.774  1 48.271 ? 85  GLN   A HE22 1 c 2 
ATOM   2903 N N    . VAL   B 1 74  ? -17.054 6.45    11.758  1 25.351 ? 86  VAL   A N    1 ? 2 
ATOM   2904 C CA   . VAL   B 1 74  ? -16.912 5.167   11.093  1 24.333 ? 86  VAL   A CA   1 ? 2 
ATOM   2905 C C    . VAL   B 1 74  ? -15.497 5.134   10.576  1 22.581 ? 86  VAL   A C    1 ? 2 
ATOM   2906 O O    . VAL   B 1 74  ? -14.827 6.173   10.574  1 24.576 ? 86  VAL   A O    1 ? 2 
ATOM   2907 C CB   . VAL   B 1 74  ? -17.883 5       9.923   1 24.165 ? 86  VAL   A CB   1 ? 2 
ATOM   2908 C CG1  . VAL   B 1 74  ? -19.321 4.825   10.396  1 26.29  ? 86  VAL   A CG1  1 ? 2 
ATOM   2909 C CG2  . VAL   B 1 74  ? -17.79  6.196   8.96    1 26.472 ? 86  VAL   A CG2  1 ? 2 
ATOM   2910 H H    . VAL   B 1 74  ? -16.722 7.192   11.341  1 26.103 ? 86  VAL   A H    1 c 2 
ATOM   2911 H HA   . VAL   B 1 74  ? -17.042 4.445   11.736  1 24.398 ? 86  VAL   A HA   1 c 2 
ATOM   2912 H HB   . VAL   B 1 74  ? -17.62  4.187   9.432   1 24.228 ? 86  VAL   A HB   1 c 2 
ATOM   2913 H HG11 . VAL   B 1 74  ? -19.593 5.607   10.905  1 26.647 ? 86  VAL   A HG11 1 c 2 
ATOM   2914 H HG12 . VAL   B 1 74  ? -19.384 4.035   10.959  1 26.114 ? 86  VAL   A HG12 1 c 2 
ATOM   2915 H HG13 . VAL   B 1 74  ? -19.906 4.721   9.627   1 25.941 ? 86  VAL   A HG13 1 c 2 
ATOM   2916 H HG21 . VAL   B 1 74  ? -18.385 6.051   8.205   1 25.712 ? 86  VAL   A HG21 1 c 2 
ATOM   2917 H HG22 . VAL   B 1 74  ? -16.878 6.288   8.638   1 25.354 ? 86  VAL   A HG22 1 c 2 
ATOM   2918 H HG23 . VAL   B 1 74  ? -18.053 7.009   9.423   1 26.39  ? 86  VAL   A HG23 1 c 2 
ATOM   2919 N N    . ILE   B 1 75  ? -15.056 3.998   10.118  1 24.591 ? 87  ILE   A N    1 ? 2 
ATOM   2920 C CA   . ILE   B 1 75  ? -13.72  3.914   9.533   1 23.434 ? 87  ILE   A CA   1 ? 2 
ATOM   2921 C C    . ILE   B 1 75  ? -13.571 4.866   8.357   1 23.254 ? 87  ILE   A C    1 ? 2 
ATOM   2922 O O    . ILE   B 1 75  ? -14.545 5.253   7.739   1 23.552 ? 87  ILE   A O    1 ? 2 
ATOM   2923 C CB   . ILE   B 1 75  ? -13.391 2.458   9.152   1 23.307 ? 87  ILE   A CB   1 ? 2 
ATOM   2924 C CG1  . ILE   B 1 75  ? -14.432 1.876   8.228   1 22.654 ? 87  ILE   A CG1  1 ? 2 
ATOM   2925 C CG2  . ILE   B 1 75  ? -13.109 1.618   10.416  1 23.778 ? 87  ILE   A CG2  1 ? 2 
ATOM   2926 C CD1  . ILE   B 1 75  ? -13.913 0.562   7.58    1 24.404 ? 87  ILE   A CD1  1 ? 2 
ATOM   2927 H H    . ILE   B 1 75  ? -15.573 3.248   10.176  1 23.654 ? 87  ILE   A H    1 c 2 
ATOM   2928 H HA   . ILE   B 1 75  ? -13.081 4.189   10.219  1 24.085 ? 87  ILE   A HA   1 c 2 
ATOM   2929 H HB   . ILE   B 1 75  ? -12.556 2.488   8.644   1 23.27  ? 87  ILE   A HB   1 c 2 
ATOM   2930 H HG12 . ILE   B 1 75  ? -15.248 1.686   8.734   1 23.245 ? 87  ILE   A HG12 1 c 2 
ATOM   2931 H HG13 . ILE   B 1 75  ? -14.646 2.523   7.525   1 23.016 ? 87  ILE   A HG13 1 c 2 
ATOM   2932 H HG21 . ILE   B 1 75  ? -12.765 0.746   10.158  1 23.763 ? 87  ILE   A HG21 1 c 2 
ATOM   2933 H HG22 . ILE   B 1 75  ? -13.932 1.503   10.921  1 23.921 ? 87  ILE   A HG22 1 c 2 
ATOM   2934 H HG23 . ILE   B 1 75  ? -12.452 2.072   10.97   1 24.213 ? 87  ILE   A HG23 1 c 2 
ATOM   2935 H HD11 . ILE   B 1 75  ? -13.033 0.714   7.186   1 23.97  ? 87  ILE   A HD11 1 c 2 
ATOM   2936 H HD12 . ILE   B 1 75  ? -14.533 0.276   6.883   1 23.953 ? 87  ILE   A HD12 1 c 2 
ATOM   2937 H HD13 . ILE   B 1 75  ? -13.846 -0.136  8.259   1 24.078 ? 87  ILE   A HD13 1 c 2 
ATOM   2938 N N    . LYS   B 1 76  ? -12.313 5.291   8.093   1 25.101 ? 88  LYS   A N    1 ? 2 
ATOM   2939 C CA   . LYS   B 1 76  ? -11.997 6.349   7.096   1 21.771 ? 88  LYS   A CA   1 ? 2 
ATOM   2940 C C    . LYS   B 1 76  ? -12.53  5.94    5.737   1 23.653 ? 88  LYS   A C    1 ? 2 
ATOM   2941 O O    . LYS   B 1 76  ? -13.101 6.725   5.006   1 23.048 ? 88  LYS   A O    1 ? 2 
ATOM   2942 C CB   . LYS   B 1 76  ? -10.502 6.656   7.161   1 26.297 ? 88  LYS   A CB   1 ? 2 
ATOM   2943 H H    . LYS   B 1 76  ? -11.621 4.906   8.55    1 24.105 ? 88  LYS   A H    1 c 2 
ATOM   2944 H HA   . LYS   B 1 76  ? -12.477 7.172   7.37    1 23.753 ? 88  LYS   A HA   1 c 2 
ATOM   2945 H HB2  . LYS   B 1 76  ? -10.006 5.855   7.03    0 20     ? 88  LYS   A HB2  1 c 2 
ATOM   2946 H HB3  . LYS   B 1 76  ? -10.411 7.648   7.303   0 20     ? 88  LYS   A HB3  1 c 2 
ATOM   2947 N N    . ALA   B 1 77  ? -12.457 4.65    5.397   1 24.966 ? 89  ALA   A N    1 ? 2 
ATOM   2948 C CA   . ALA   B 1 77  ? -12.957 4.124   4.113   1 25.716 ? 89  ALA   A CA   1 ? 2 
ATOM   2949 C C    . ALA   B 1 77  ? -14.442 4.404   3.874   1 23.487 ? 89  ALA   A C    1 ? 2 
ATOM   2950 O O    . ALA   B 1 77  ? -14.908 4.674   2.788   1 24.757 ? 89  ALA   A O    1 ? 2 
ATOM   2951 C CB   . ALA   B 1 77  ? -12.714 2.629   3.949   1 27.189 ? 89  ALA   A CB   1 ? 2 
ATOM   2952 H H    . ALA   B 1 77  ? -12.07  4.064   5.981   1 24.608 ? 89  ALA   A H    1 c 2 
ATOM   2953 H HA   . ALA   B 1 77  ? -12.454 4.595   3.392   1 25.945 ? 89  ALA   A HA   1 c 2 
ATOM   2954 H HB1  . ALA   B 1 77  ? -11.765 2.466   3.82    1 27.065 ? 89  ALA   A HB1  1 c 2 
ATOM   2955 H HB2  . ALA   B 1 77  ? -13.016 2.159   4.744   1 26.382 ? 89  ALA   A HB2  1 c 2 
ATOM   2956 H HB3  . ALA   B 1 77  ? -13.203 2.3     3.175   1 26.958 ? 89  ALA   A HB3  1 c 2 
ATOM   2957 N N    . TRP   B 1 78  ? -15.229 4.385   4.962   1 22.64  ? 90  TRP   A N    1 ? 2 
ATOM   2958 C CA   . TRP   B 1 78  ? -16.643 4.766   4.82    1 23.325 ? 90  TRP   A CA   1 ? 2 
ATOM   2959 C C    . TRP   B 1 78  ? -16.875 6.245   4.604   1 23.702 ? 90  TRP   A C    1 ? 2 
ATOM   2960 O O    . TRP   B 1 78  ? -17.756 6.626   3.834   1 26.411 ? 90  TRP   A O    1 ? 2 
ATOM   2961 C CB   . TRP   B 1 78  ? -17.455 4.252   6.012   1 23.22  ? 90  TRP   A CB   1 ? 2 
ATOM   2962 C CG   . TRP   B 1 78  ? -17.984 2.869   5.959   1 24.037 ? 90  TRP   A CG   1 ? 2 
ATOM   2963 C CD1  . TRP   B 1 78  ? -17.33  1.702   5.641   1 22.726 ? 90  TRP   A CD1  1 ? 2 
ATOM   2964 C CD2  . TRP   B 1 78  ? -19.354 2.505   6.205   1 23     ? 90  TRP   A CD2  1 ? 2 
ATOM   2965 N NE1  . TRP   B 1 78  ? -18.207 0.657   5.59    1 24.287 ? 90  TRP   A NE1  1 ? 2 
ATOM   2966 C CE2  . TRP   B 1 78  ? -19.459 1.118   5.948   1 21.803 ? 90  TRP   A CE2  1 ? 2 
ATOM   2967 C CE3  . TRP   B 1 78  ? -20.497 3.241   6.568   1 24.645 ? 90  TRP   A CE3  1 ? 2 
ATOM   2968 C CZ2  . TRP   B 1 78  ? -20.665 0.461   6.084   1 26.012 ? 90  TRP   A CZ2  1 ? 2 
ATOM   2969 C CZ3  . TRP   B 1 78  ? -21.682 2.579   6.673   1 27.931 ? 90  TRP   A CZ3  1 ? 2 
ATOM   2970 C CH2  . TRP   B 1 78  ? -21.769 1.214   6.414   1 27.533 ? 90  TRP   A CH2  1 ? 2 
ATOM   2971 H H    . TRP   B 1 78  ? -14.902 4.136   5.778   1 22.687 ? 90  TRP   A H    1 c 2 
ATOM   2972 H HA   . TRP   B 1 78  ? -16.99  4.296   4.015   1 23.497 ? 90  TRP   A HA   1 c 2 
ATOM   2973 H HB2  . TRP   B 1 78  ? -16.9   4.338   6.816   1 23.204 ? 90  TRP   A HB2  1 c 2 
ATOM   2974 H HB3  . TRP   B 1 78  ? -18.21  4.864   6.148   1 23.802 ? 90  TRP   A HB3  1 c 2 
ATOM   2975 H HD1  . TRP   B 1 78  ? -16.421 1.645   5.393   1 22.935 ? 90  TRP   A HD1  1 c 2 
ATOM   2976 H HE1  . TRP   B 1 78  ? -17.999 -0.168  5.424   1 23.517 ? 90  TRP   A HE1  1 c 2 
ATOM   2977 H HE3  . TRP   B 1 78  ? -20.443 4.168   6.726   1 24.946 ? 90  TRP   A HE3  1 c 2 
ATOM   2978 H HZ2  . TRP   B 1 78  ? -20.739 -0.461  5.906   1 25.844 ? 90  TRP   A HZ2  1 c 2 
ATOM   2979 H HZ3  . TRP   B 1 78  ? -22.456 3.053   6.928   1 27.953 ? 90  TRP   A HZ3  1 c 2 
ATOM   2980 H HH2  . TRP   B 1 78  ? -22.598 0.782   6.524   1 28.471 ? 90  TRP   A HH2  1 c 2 
ATOM   2981 N N    . ASP   B 1 79  ? -16.149 7.086   5.327   1 23.144 ? 91  ASP   A N    1 ? 2 
ATOM   2982 C CA   . ASP   B 1 79  ? -16.242 8.524   5.147   1 23.257 ? 91  ASP   A CA   1 ? 2 
ATOM   2983 C C    . ASP   B 1 79  ? -15.908 8.849   3.694   1 26.034 ? 91  ASP   A C    1 ? 2 
ATOM   2984 O O    . ASP   B 1 79  ? -16.574 9.683   3.063   1 27.119 ? 91  ASP   A O    1 ? 2 
ATOM   2985 C CB   . ASP   B 1 79  ? -15.416 9.275   6.136   1 25.212 ? 91  ASP   A CB   1 ? 2 
ATOM   2986 C CG   . ASP   B 1 79  ? -16.072 9.505   7.52    1 24.514 ? 91  ASP   A CG   1 ? 2 
ATOM   2987 O OD1  . ASP   B 1 79  ? -17.279 9.379   7.596   1 23.809 ? 91  ASP   A OD1  1 ? 2 
ATOM   2988 O OD2  . ASP   B 1 79  ? -15.31  9.857   8.42    1 27.473 ? 91  ASP   A OD2  1 ? 2 
ATOM   2989 H H    . ASP   B 1 79  ? -15.578 6.757   5.96    1 22.903 ? 91  ASP   A H    1 c 2 
ATOM   2990 H HA   . ASP   B 1 79  ? -17.178 8.784   5.301   1 24.412 ? 91  ASP   A HA   1 c 2 
ATOM   2991 H HB2  . ASP   B 1 79  ? -14.573 8.794   6.275   1 24.305 ? 91  ASP   A HB2  1 c 2 
ATOM   2992 H HB3  . ASP   B 1 79  ? -15.198 10.153  5.76    1 25.238 ? 91  ASP   A HB3  1 c 2 
ATOM   2993 N N    . ILE   B 1 80  ? -14.85  8.188   3.169   1 27.366 ? 92  ILE   A N    1 ? 2 
ATOM   2994 C CA   . ILE   B 1 80  ? -14.466 8.359   1.765   1 26.851 ? 92  ILE   A CA   1 ? 2 
ATOM   2995 C C    . ILE   B 1 80  ? -15.465 7.781   0.756   1 25.538 ? 92  ILE   A C    1 ? 2 
ATOM   2996 O O    . ILE   B 1 80  ? -15.917 8.472   -0.164  1 28.34  ? 92  ILE   A O    1 ? 2 
ATOM   2997 C CB   . ILE   B 1 80  ? -13.069 7.736   1.489   1 28.804 ? 92  ILE   A CB   1 ? 2 
ATOM   2998 C CG1  . ILE   B 1 80  ? -11.969 8.515   2.258   1 28.992 ? 92  ILE   A CG1  1 ? 2 
ATOM   2999 C CG2  . ILE   B 1 80  ? -12.762 7.716   -0.029  1 31.819 ? 92  ILE   A CG2  1 ? 2 
ATOM   3000 C CD1  . ILE   B 1 80  ? -10.725 7.649   2.403   1 31.409 ? 92  ILE   A CD1  1 ? 2 
ATOM   3001 H H    . ILE   B 1 80  ? -14.356 7.629   3.697   1 26.237 ? 92  ILE   A H    1 c 2 
ATOM   3002 H HA   . ILE   B 1 80  ? -14.397 9.319   1.596   1 27.741 ? 92  ILE   A HA   1 c 2 
ATOM   3003 H HB   . ILE   B 1 80  ? -13.076 6.814   1.816   1 28.166 ? 92  ILE   A HB   1 c 2 
ATOM   3004 H HG12 . ILE   B 1 80  ? -11.744 9.333   1.768   1 30.422 ? 92  ILE   A HG12 1 c 2 
ATOM   3005 H HG13 . ILE   B 1 80  ? -12.3   8.764   3.145   1 29.135 ? 92  ILE   A HG13 1 c 2 
ATOM   3006 H HG21 . ILE   B 1 80  ? -11.804 7.637   -0.168  1 31.744 ? 92  ILE   A HG21 1 c 2 
ATOM   3007 H HG22 . ILE   B 1 80  ? -13.078 8.539   -0.437  1 31.867 ? 92  ILE   A HG22 1 c 2 
ATOM   3008 H HG23 . ILE   B 1 80  ? -13.209 6.958   -0.443  1 31.153 ? 92  ILE   A HG23 1 c 2 
ATOM   3009 H HD11 . ILE   B 1 80  ? -10.965 6.793   2.807   1 29.949 ? 92  ILE   A HD11 1 c 2 
ATOM   3010 H HD12 . ILE   B 1 80  ? -10.077 8.104   2.974   1 31.131 ? 92  ILE   A HD12 1 c 2 
ATOM   3011 H HD13 . ILE   B 1 80  ? -10.326 7.491   1.526   1 31.395 ? 92  ILE   A HD13 1 c 2 
ATOM   3012 N N    . GLY   B 1 81  ? -15.911 6.543   0.972   1 25.174 ? 93  GLY   A N    1 ? 2 
ATOM   3013 C CA   . GLY   B 1 81  ? -16.695 5.823   -0.019  1 25.421 ? 93  GLY   A CA   1 ? 2 
ATOM   3014 C C    . GLY   B 1 81  ? -18.136 6.282   -0.038  1 28.04  ? 93  GLY   A C    1 ? 2 
ATOM   3015 O O    . GLY   B 1 81  ? -18.677 6.496   -1.087  1 27.952 ? 93  GLY   A O    1 ? 2 
ATOM   3016 H H    . GLY   B 1 81  ? -15.719 6.131   1.765   1 24.39  ? 93  GLY   A H    1 c 2 
ATOM   3017 H HA2  . GLY   B 1 81  ? -16.295 5.961   -0.908  1 26.768 ? 93  GLY   A HA2  1 c 2 
ATOM   3018 H HA3  . GLY   B 1 81  ? -16.66  4.859   0.183   1 25.68  ? 93  GLY   A HA3  1 c 2 
ATOM   3019 N N    . VAL   B 1 82  ? -18.759 6.456   1.165   1 27.027 ? 94  VAL   A N    1 ? 2 
ATOM   3020 C CA   . VAL   B 1 82  ? -20.148 6.869   1.212   1 27.515 ? 94  VAL   A CA   1 ? 2 
ATOM   3021 C C    . VAL   B 1 82  ? -20.305 8.278   0.607   1 29.452 ? 94  VAL   A C    1 ? 2 
ATOM   3022 O O    . VAL   B 1 82  ? -21.338 8.576   -0.013  1 31.882 ? 94  VAL   A O    1 ? 2 
ATOM   3023 C CB   . VAL   B 1 82  ? -20.766 6.7     2.615   1 30.188 ? 94  VAL   A CB   1 ? 2 
ATOM   3024 C CG1  . VAL   B 1 82  ? -22.187 7.253   2.708   1 36.184 ? 94  VAL   A CG1  1 ? 2 
ATOM   3025 C CG2  . VAL   B 1 82  ? -20.772 5.266   2.97    1 29.574 ? 94  VAL   A CG2  1 ? 2 
ATOM   3026 H H    . VAL   B 1 82  ? -18.305 6.315   1.946   1 26.332 ? 94  VAL   A H    1 c 2 
ATOM   3027 H HA   . VAL   B 1 82  ? -20.635 6.26    0.622   1 28.948 ? 94  VAL   A HA   1 c 2 
ATOM   3028 H HB   . VAL   B 1 82  ? -20.195 7.185   3.254   1 29.772 ? 94  VAL   A HB   1 c 2 
ATOM   3029 H HG11 . VAL   B 1 82  ? -22.683 7.011   1.908   1 35.517 ? 94  VAL   A HG11 1 c 2 
ATOM   3030 H HG12 . VAL   B 1 82  ? -22.155 8.221   2.789   1 34.955 ? 94  VAL   A HG12 1 c 2 
ATOM   3031 H HG13 . VAL   B 1 82  ? -22.631 6.879   3.488   1 34.691 ? 94  VAL   A HG13 1 c 2 
ATOM   3032 H HG21 . VAL   B 1 82  ? -21.173 5.15    3.848   1 29.642 ? 94  VAL   A HG21 1 c 2 
ATOM   3033 H HG22 . VAL   B 1 82  ? -19.861 4.929   2.986   1 28.882 ? 94  VAL   A HG22 1 c 2 
ATOM   3034 H HG23 . VAL   B 1 82  ? -21.289 4.77    2.313   1 30.333 ? 94  VAL   A HG23 1 c 2 
ATOM   3035 N N    . ALA   B 1 83  ? -19.263 9.121   0.748   1 28.144 ? 95  ALA   A N    1 ? 2 
ATOM   3036 C CA   . ALA   B 1 83  ? -19.273 10.451  0.183   1 30.202 ? 95  ALA   A CA   1 ? 2 
ATOM   3037 C C    . ALA   B 1 83  ? -19.372 10.43   -1.34   1 35.584 ? 95  ALA   A C    1 ? 2 
ATOM   3038 O O    . ALA   B 1 83  ? -19.765 11.444  -1.911  1 36.363 ? 95  ALA   A O    1 ? 2 
ATOM   3039 C CB   . ALA   B 1 83  ? -18.083 11.295  0.62    1 32.318 ? 95  ALA   A CB   1 ? 2 
ATOM   3040 H H    . ALA   B 1 83  ? -18.53  8.854   1.224   1 27.806 ? 95  ALA   A H    1 c 2 
ATOM   3041 H HA   . ALA   B 1 83  ? -20.098 10.9    0.519   1 31.649 ? 95  ALA   A HA   1 c 2 
ATOM   3042 H HB1  . ALA   B 1 83  ? -18.077 11.377  1.588   1 31.125 ? 95  ALA   A HB1  1 c 2 
ATOM   3043 H HB2  . ALA   B 1 83  ? -17.257 10.872  0.329   1 31.275 ? 95  ALA   A HB2  1 c 2 
ATOM   3044 H HB3  . ALA   B 1 83  ? -18.146 12.181  0.224   1 32.598 ? 95  ALA   A HB3  1 c 2 
ATOM   3045 N N    . THR   B 1 84  ? -19.026 9.312   -1.995  1 31.026 ? 96  THR   A N    1 ? 2 
ATOM   3046 C CA   . THR   B 1 84  ? -19.116 9.208   -3.459  1 32.868 ? 96  THR   A CA   1 ? 2 
ATOM   3047 C C    . THR   B 1 84  ? -20.466 8.684   -3.941  1 34.387 ? 96  THR   A C    1 ? 2 
ATOM   3048 O O    . THR   B 1 84  ? -20.702 8.677   -5.153  1 36.639 ? 96  THR   A O    1 ? 2 
ATOM   3049 C CB   . THR   B 1 84  ? -18.027 8.293   -4.015  1 33.557 ? 96  THR   A CB   1 ? 2 
ATOM   3050 O OG1  . THR   B 1 84  ? -18.318 6.929   -3.694  1 32.895 ? 96  THR   A OG1  1 ? 2 
ATOM   3051 C CG2  . THR   B 1 84  ? -16.654 8.751   -3.58   1 34.521 ? 96  THR   A CG2  1 ? 2 
ATOM   3052 H H    . THR   B 1 84  ? -18.705 8.597   -1.526  1 31.093 ? 96  THR   A H    1 c 2 
ATOM   3053 H HA   . THR   B 1 84  ? -18.981 10.104  -3.837  1 33.89  ? 96  THR   A HA   1 c 2 
ATOM   3054 H HB   . THR   B 1 84  ? -18.046 8.381   -4.997  1 35.119 ? 96  THR   A HB   1 c 2 
ATOM   3055 H HG1  . THR   B 1 84  ? -18.377 6.845   -2.834  0 20     ? 96  THR   A HG1  1 c 2 
ATOM   3056 H HG21 . THR   B 1 84  ? -15.976 8.253   -4.068  1 34.369 ? 96  THR   A HG21 1 c 2 
ATOM   3057 H HG22 . THR   B 1 84  ? -16.545 8.596   -2.628  1 32.756 ? 96  THR   A HG22 1 c 2 
ATOM   3058 H HG23 . THR   B 1 84  ? -16.554 9.7     -3.767  1 34.652 ? 96  THR   A HG23 1 c 2 
ATOM   3059 N N    . MET   B 1 85  ? -21.385 8.343   -3.053  1 33.146 ? 97  MET   A N    1 ? 2 
ATOM   3060 C CA   . MET   B 1 85  ? -22.569 7.581   -3.417  1 34.57  ? 97  MET   A CA   1 ? 2 
ATOM   3061 C C    . MET   B 1 85  ? -23.787 8.501   -3.555  1 40.996 ? 97  MET   A C    1 ? 2 
ATOM   3062 O O    . MET   B 1 85  ? -23.895 9.51    -2.88   1 39.516 ? 97  MET   A O    1 ? 2 
ATOM   3063 C CB   . MET   B 1 85  ? -22.907 6.47    -2.429  1 35.309 ? 97  MET   A CB   1 ? 2 
ATOM   3064 C CG   . MET   B 1 85  ? -21.763 5.472   -2.23   1 32.466 ? 97  MET   A CG   1 ? 2 
ATOM   3065 S SD   . MET   B 1 85  ? -22.174 4.169   -1.038  1 33.436 ? 97  MET   A SD   1 ? 2 
ATOM   3066 C CE   . MET   B 1 85  ? -23.575 3.343   -1.797  1 35.02  ? 97  MET   A CE   1 ? 2 
ATOM   3067 H H    . MET   B 1 85  ? -21.28  8.594   -2.181  1 32.382 ? 97  MET   A H    1 c 2 
ATOM   3068 H HA   . MET   B 1 85  ? -22.399 7.171   -4.301  1 36.586 ? 97  MET   A HA   1 c 2 
ATOM   3069 H HB2  . MET   B 1 85  ? -23.135 6.874   -1.565  1 33.948 ? 97  MET   A HB2  1 c 2 
ATOM   3070 H HB3  . MET   B 1 85  ? -23.698 5.991   -2.756  1 35.826 ? 97  MET   A HB3  1 c 2 
ATOM   3071 H HG2  . MET   B 1 85  ? -21.542 5.057   -3.087  1 33.97  ? 97  MET   A HG2  1 c 2 
ATOM   3072 H HG3  . MET   B 1 85  ? -20.972 5.948   -1.914  1 32.108 ? 97  MET   A HG3  1 c 2 
ATOM   3073 H HE1  . MET   B 1 85  ? -23.861 2.605   -1.23   1 35.16  ? 97  MET   A HE1  1 c 2 
ATOM   3074 H HE2  . MET   B 1 85  ? -24.309 3.976   -1.899  1 36.135 ? 97  MET   A HE2  1 c 2 
ATOM   3075 H HE3  . MET   B 1 85  ? -23.315 3.001   -2.673  1 36.046 ? 97  MET   A HE3  1 c 2 
ATOM   3076 N N    . LYS   B 1 86  ? -24.612 8.187   -4.571  1 39.36  ? 98  LYS   A N    1 ? 2 
ATOM   3077 C CA   . LYS   B 1 86  ? -25.912 8.804   -4.749  1 43.587 ? 98  LYS   A CA   1 ? 2 
ATOM   3078 C C    . LYS   B 1 86  ? -26.978 8.036   -3.971  1 40.278 ? 98  LYS   A C    1 ? 2 
ATOM   3079 O O    . LYS   B 1 86  ? -26.877 6.844   -3.667  1 46.291 ? 98  LYS   A O    1 ? 2 
ATOM   3080 C CB   . LYS   B 1 86  ? -26.242 8.842   -6.231  1 47.192 ? 98  LYS   A CB   1 ? 2 
ATOM   3081 C CG   . LYS   B 1 86  ? -25.323 9.651   -7.107  1 52.579 ? 98  LYS   A CG   1 ? 2 
ATOM   3082 C CD   . LYS   B 1 86  ? -25.915 9.475   -8.507  1 64.862 ? 98  LYS   A CD   1 ? 2 
ATOM   3083 C CE   . LYS   B 1 86  ? -25.155 10.137  -9.608  1 71.766 ? 98  LYS   A CE   1 ? 2 
ATOM   3084 N NZ   . LYS   B 1 86  ? -23.77  9.663   -9.506  1 71.426 ? 98  LYS   A NZ   1 ? 2 
ATOM   3085 H H    . LYS   B 1 86  ? -24.344 7.558   -5.177  1 41.133 ? 98  LYS   A H    1 c 2 
ATOM   3086 H HA   . LYS   B 1 86  ? -25.87  9.732   -4.406  1 42.361 ? 98  LYS   A HA   1 c 2 
ATOM   3087 H HB2  . LYS   B 1 86  ? -26.249 7.92    -6.565  1 48.584 ? 98  LYS   A HB2  1 c 2 
ATOM   3088 H HB3  . LYS   B 1 86  ? -27.151 9.197   -6.332  1 49.786 ? 98  LYS   A HB3  1 c 2 
ATOM   3089 H HG2  . LYS   B 1 86  ? -25.339 10.596  -6.838  1 52.988 ? 98  LYS   A HG2  1 c 2 
ATOM   3090 H HG3  . LYS   B 1 86  ? -24.411 9.293   -7.063  1 51.913 ? 98  LYS   A HG3  1 c 2 
ATOM   3091 H HD2  . LYS   B 1 86  ? -25.975 8.515   -8.703  1 63.882 ? 98  LYS   A HD2  1 c 2 
ATOM   3092 H HD3  . LYS   B 1 86  ? -26.831 9.825   -8.503  1 64.925 ? 98  LYS   A HD3  1 c 2 
ATOM   3093 H HE2  . LYS   B 1 86  ? -25.524 9.893   -10.476 1 72.988 ? 98  LYS   A HE2  1 c 2 
ATOM   3094 H HE3  . LYS   B 1 86  ? -25.18  11.106  -9.509  1 70.943 ? 98  LYS   A HE3  1 c 2 
ATOM   3095 H HZ1  . LYS   B 1 86  ? -23.745 8.791   -9.26   1 69.816 ? 98  LYS   A HZ1  1 c 2 
ATOM   3096 H HZ2  . LYS   B 1 86  ? -23.314 10.16   -8.901  1 69.077 ? 98  LYS   A HZ2  1 c 2 
ATOM   3097 H HZ3  . LYS   B 1 86  ? -23.366 9.747   -10.312 1 72.031 ? 98  LYS   A HZ3  1 c 2 
ATOM   3098 N N    . LYS   B 1 87  ? -28.07  8.731   -3.701  1 43.517 ? 99  LYS   A N    1 ? 2 
ATOM   3099 C CA   . LYS   B 1 87  ? -29.217 8.114   -3.066  1 43.273 ? 99  LYS   A CA   1 ? 2 
ATOM   3100 C C    . LYS   B 1 87  ? -29.748 6.955   -3.92   1 47.818 ? 99  LYS   A C    1 ? 2 
ATOM   3101 O O    . LYS   B 1 87  ? -29.903 7.107   -5.116  1 46.87  ? 99  LYS   A O    1 ? 2 
ATOM   3102 C CB   . LYS   B 1 87  ? -30.305 9.165   -2.888  1 48.559 ? 99  LYS   A CB   1 ? 2 
ATOM   3103 C CG   . LYS   B 1 87  ? -31.505 8.578   -2.138  1 54.389 ? 99  LYS   A CG   1 ? 2 
ATOM   3104 C CD   . LYS   B 1 87  ? -32.498 9.59    -1.591  1 63.094 ? 99  LYS   A CD   1 ? 2 
ATOM   3105 C CE   . LYS   B 1 87  ? -33.781 8.943   -1.109  1 68.482 ? 99  LYS   A CE   1 ? 2 
ATOM   3106 N NZ   . LYS   B 1 87  ? -34.814 9.966   -0.893  1 69.976 ? 99  LYS   A NZ   1 ? 2 
ATOM   3107 H H    . LYS   B 1 87  ? -28.107 9.618   -3.917  1 43.398 ? 99  LYS   A H    1 c 2 
ATOM   3108 H HA   . LYS   B 1 87  ? -28.94  7.768   -2.18   1 43.099 ? 99  LYS   A HA   1 c 2 
ATOM   3109 H HB2  . LYS   B 1 87  ? -29.95  9.926   -2.381  1 47.633 ? 99  LYS   A HB2  1 c 2 
ATOM   3110 H HB3  . LYS   B 1 87  ? -30.6   9.488   -3.766  1 50.363 ? 99  LYS   A HB3  1 c 2 
ATOM   3111 H HG2  . LYS   B 1 87  ? -31.981 7.972   -2.747  1 56.344 ? 99  LYS   A HG2  1 c 2 
ATOM   3112 H HG3  . LYS   B 1 87  ? -31.166 8.037   -1.393  1 53.055 ? 99  LYS   A HG3  1 c 2 
ATOM   3113 H HD2  . LYS   B 1 87  ? -32.083 10.074  -0.844  1 60.57  ? 99  LYS   A HD2  1 c 2 
ATOM   3114 H HD3  . LYS   B 1 87  ? -32.711 10.241  -2.294  1 63.4   ? 99  LYS   A HD3  1 c 2 
ATOM   3115 H HE2  . LYS   B 1 87  ? -34.099 8.301   -1.769  1 68.746 ? 99  LYS   A HE2  1 c 2 
ATOM   3116 H HE3  . LYS   B 1 87  ? -33.622 8.474   -0.272  1 66.269 ? 99  LYS   A HE3  1 c 2 
ATOM   3117 H HZ1  . LYS   B 1 87  ? -35.015 10.371  -1.678  1 71.667 ? 99  LYS   A HZ1  1 c 2 
ATOM   3118 H HZ2  . LYS   B 1 87  ? -34.513 10.587  -0.306  1 69.323 ? 99  LYS   A HZ2  1 c 2 
ATOM   3119 H HZ3  . LYS   B 1 87  ? -35.562 9.579   -0.558  1 72.01  ? 99  LYS   A HZ3  1 c 2 
ATOM   3120 N N    . GLY   B 1 88  ? -29.941 5.776   -3.311  1 50.187 ? 100 GLY   A N    1 ? 2 
ATOM   3121 C CA   . GLY   B 1 88  ? -30.401 4.59    -4.039  1 54.213 ? 100 GLY   A CA   1 ? 2 
ATOM   3122 C C    . GLY   B 1 88  ? -29.262 3.703   -4.539  1 51.922 ? 100 GLY   A C    1 ? 2 
ATOM   3123 O O    . GLY   B 1 88  ? -29.498 2.556   -4.935  1 56.948 ? 100 GLY   A O    1 ? 2 
ATOM   3124 H H    . GLY   B 1 88  ? -29.782 5.704   -2.413  1 48.472 ? 100 GLY   A H    1 c 2 
ATOM   3125 H HA2  . GLY   B 1 88  ? -30.983 4.062   -3.444  1 54.144 ? 100 GLY   A HA2  1 c 2 
ATOM   3126 H HA3  . GLY   B 1 88  ? -30.948 4.879   -4.807  1 55.652 ? 100 GLY   A HA3  1 c 2 
ATOM   3127 N N    . GLU   B 1 89  ? -28.041 4.218   -4.509  1 46.063 ? 101 GLU   A N    1 ? 2 
ATOM   3128 C CA   . GLU   B 1 89  ? -26.879 3.52    -5.014  1 43.354 ? 101 GLU   A CA   1 ? 2 
ATOM   3129 C C    . GLU   B 1 89  ? -26.542 2.337   -4.084  1 41.536 ? 101 GLU   A C    1 ? 2 
ATOM   3130 O O    . GLU   B 1 89  ? -26.646 2.447   -2.862  1 41.763 ? 101 GLU   A O    1 ? 2 
ATOM   3131 C CB   . GLU   B 1 89  ? -25.714 4.488   -5.193  1 43.715 ? 101 GLU   A CB   1 ? 2 
ATOM   3132 C CG   . GLU   B 1 89  ? -24.424 3.876   -5.712  1 41.239 ? 101 GLU   A CG   1 ? 2 
ATOM   3133 C CD   . GLU   B 1 89  ? -23.361 4.935   -5.929  1 42.14  ? 101 GLU   A CD   1 ? 2 
ATOM   3134 O OE1  . GLU   B 1 89  ? -23.596 6.089   -6.419  1 39.986 ? 101 GLU   A OE1  1 ? 2 
ATOM   3135 O OE2  . GLU   B 1 89  ? -22.228 4.526   -5.655  1 40.934 ? 101 GLU   A OE2  1 ? 2 
ATOM   3136 H H    . GLU   B 1 89  ? -27.921 5.049   -4.149  1 45.543 ? 101 GLU   A H    1 c 2 
ATOM   3137 H HA   . GLU   B 1 89  ? -27.11  3.16    -5.905  1 45.988 ? 101 GLU   A HA   1 c 2 
ATOM   3138 H HB2  . GLU   B 1 89  ? -25.992 5.2     -5.806  1 44.054 ? 101 GLU   A HB2  1 c 2 
ATOM   3139 H HB3  . GLU   B 1 89  ? -25.519 4.902   -4.327  1 41.203 ? 101 GLU   A HB3  1 c 2 
ATOM   3140 H HG2  . GLU   B 1 89  ? -24.091 3.216   -5.067  1 40.817 ? 101 GLU   A HG2  1 c 2 
ATOM   3141 H HG3  . GLU   B 1 89  ? -24.597 3.418   -6.562  1 43.871 ? 101 GLU   A HG3  1 c 2 
ATOM   3142 N N    . ILE   B 1 90  ? -26.145 1.215   -4.696  1 43.684 ? 102 ILE   A N    1 ? 2 
ATOM   3143 C CA   . ILE   B 1 90  ? -25.513 0.099   -3.989  1 40.65  ? 102 ILE   A CA   1 ? 2 
ATOM   3144 C C    . ILE   B 1 90  ? -24.117 -0.005  -4.545  1 39.291 ? 102 ILE   A C    1 ? 2 
ATOM   3145 O O    . ILE   B 1 90  ? -23.916 -0.036  -5.759  1 41.23  ? 102 ILE   A O    1 ? 2 
ATOM   3146 C CB   . ILE   B 1 90  ? -26.23  -1.263  -4.139  1 44.075 ? 102 ILE   A CB   1 ? 2 
ATOM   3147 C CG1  . ILE   B 1 90  ? -27.649 -1.188  -3.583  1 48.021 ? 102 ILE   A CG1  1 ? 2 
ATOM   3148 C CG2  . ILE   B 1 90  ? -25.409 -2.36   -3.454  1 43.305 ? 102 ILE   A CG2  1 ? 2 
ATOM   3149 C CD1  . ILE   B 1 90  ? -28.507 -2.412  -3.786  1 50.863 ? 102 ILE   A CD1  1 ? 2 
ATOM   3150 H H    . ILE   B 1 90  ? -26.274 1.138   -5.598  1 44.673 ? 102 ILE   A H    1 c 2 
ATOM   3151 H HA   . ILE   B 1 90  ? -25.462 0.319   -3.043  1 39.541 ? 102 ILE   A HA   1 c 2 
ATOM   3152 H HB   . ILE   B 1 90  ? -26.289 -1.473  -5.092  1 46.185 ? 102 ILE   A HB   1 c 2 
ATOM   3153 H HG12 . ILE   B 1 90  ? -27.592 -1.009  -2.623  1 45.833 ? 102 ILE   A HG12 1 c 2 
ATOM   3154 H HG13 . ILE   B 1 90  ? -28.102 -0.424  -3.996  1 48.257 ? 102 ILE   A HG13 1 c 2 
ATOM   3155 H HG21 . ILE   B 1 90  ? -25.966 -3.14   -3.301  1 44.54  ? 102 ILE   A HG21 1 c 2 
ATOM   3156 H HG22 . ILE   B 1 90  ? -25.075 -2.032  -2.602  1 41.141 ? 102 ILE   A HG22 1 c 2 
ATOM   3157 H HG23 . ILE   B 1 90  ? -24.659 -2.608  -4.019  1 43.073 ? 102 ILE   A HG23 1 c 2 
ATOM   3158 H HD11 . ILE   B 1 90  ? -28.465 -2.691  -4.72   1 52.547 ? 102 ILE   A HD11 1 c 2 
ATOM   3159 H HD12 . ILE   B 1 90  ? -29.43  -2.202  -3.552  1 52.237 ? 102 ILE   A HD12 1 c 2 
ATOM   3160 H HD13 . ILE   B 1 90  ? -28.188 -3.137  -3.217  1 50.15  ? 102 ILE   A HD13 1 c 2 
ATOM   3161 N N    . ALA   B 1 91  ? -23.144 -0.044  -3.661  1 35.846 ? 103 ALA   A N    1 ? 2 
ATOM   3162 C CA   . ALA   B 1 91  ? -21.753 -0.158  -4.032  1 36.227 ? 103 ALA   A CA   1 ? 2 
ATOM   3163 C C    . ALA   B 1 91  ? -21.083 -1.274  -3.235  1 32.534 ? 103 ALA   A C    1 ? 2 
ATOM   3164 O O    . ALA   B 1 91  ? -21.465 -1.579  -2.082  1 35.251 ? 103 ALA   A O    1 ? 2 
ATOM   3165 C CB   . ALA   B 1 91  ? -21.037 1.132   -3.751  1 34.738 ? 103 ALA   A CB   1 ? 2 
ATOM   3166 H H    . ALA   B 1 91  ? -23.353 0.002   -2.772  1 35.35  ? 103 ALA   A H    1 c 2 
ATOM   3167 H HA   . ALA   B 1 91  ? -21.692 -0.374  -5.001  1 37.124 ? 103 ALA   A HA   1 c 2 
ATOM   3168 H HB1  . ALA   B 1 91  ? -21.45  1.852   -4.256  1 35.44  ? 103 ALA   A HB1  1 c 2 
ATOM   3169 H HB2  . ALA   B 1 91  ? -21.09  1.335   -2.802  1 33.288 ? 103 ALA   A HB2  1 c 2 
ATOM   3170 H HB3  . ALA   B 1 91  ? -20.104 1.051   -4.01   1 34.287 ? 103 ALA   A HB3  1 c 2 
ATOM   3171 N N    . HIS   B 1 92  ? -20.016 -1.82   -3.836  1 33.856 ? 104 HIS   A N    1 ? 2 
ATOM   3172 C CA   . HIS   B 1 92  ? -19.08  -2.689  -3.117  1 32.119 ? 104 HIS   A CA   1 ? 2 
ATOM   3173 C C    . HIS   B 1 92  ? -17.769 -1.945  -2.836  1 32.713 ? 104 HIS   A C    1 ? 2 
ATOM   3174 O O    . HIS   B 1 92  ? -17.282 -1.213  -3.722  1 33.23  ? 104 HIS   A O    1 ? 2 
ATOM   3175 C CB   . HIS   B 1 92  ? -18.785 -3.905  -3.97   1 33.504 ? 104 HIS   A CB   1 ? 2 
ATOM   3176 C CG   . HIS   B 1 92  ? -19.892 -4.927  -4.035  1 34.704 ? 104 HIS   A CG   1 ? 2 
ATOM   3177 N ND1  . HIS   B 1 92  ? -19.864 -6.038  -4.805  1 36.083 ? 104 HIS   A ND1  1 ? 2 
ATOM   3178 C CD2  . HIS   B 1 92  ? -21.011 -4.937  -3.352  1 33.687 ? 104 HIS   A CD2  1 ? 2 
ATOM   3179 C CE1  . HIS   B 1 92  ? -20.96  -6.749  -4.565  1 37.197 ? 104 HIS   A CE1  1 ? 2 
ATOM   3180 N NE2  . HIS   B 1 92  ? -21.68  -6.054  -3.655  1 34.14  ? 104 HIS   A NE2  1 ? 2 
ATOM   3181 H H    . HIS   B 1 92  ? -19.864 -1.648  -4.721  1 34.631 ? 104 HIS   A H    1 c 2 
ATOM   3182 H HA   . HIS   B 1 92  ? -19.478 -2.967  -2.259  1 31.787 ? 104 HIS   A HA   1 c 2 
ATOM   3183 H HB2  . HIS   B 1 92  ? -18.581 -3.604  -4.882  1 34.596 ? 104 HIS   A HB2  1 c 2 
ATOM   3184 H HB3  . HIS   B 1 92  ? -17.976 -4.341  -3.623  1 32.921 ? 104 HIS   A HB3  1 c 2 
ATOM   3185 H HD1  . HIS   B 1 92  ? -19.233 -6.28   -5.353  0 20     ? 104 HIS   A HD1  1 c 2 
ATOM   3186 H HD2  . HIS   B 1 92  ? -21.287 -4.295  -2.728  1 32.187 ? 104 HIS   A HD2  1 c 2 
ATOM   3187 H HE1  . HIS   B 1 92  ? -21.21  -7.557  -4.978  1 39.027 ? 104 HIS   A HE1  1 c 2 
ATOM   3188 H HE2  . HIS   B 1 92  ? -22.461 -6.303  -3.318  0 20     ? 104 HIS   A HE2  1 c 2 
ATOM   3189 N N    . LEU   B 1 93  ? -17.271 -2.04   -1.603  1 28.336 ? 105 LEU   A N    1 ? 2 
ATOM   3190 C CA   . LEU   B 1 93  ? -16.002 -1.441  -1.232  1 28.585 ? 105 LEU   A CA   1 ? 2 
ATOM   3191 C C    . LEU   B 1 93  ? -15.099 -2.577  -0.784  1 28.074 ? 105 LEU   A C    1 ? 2 
ATOM   3192 O O    . LEU   B 1 93  ? -15.46  -3.405  0.08    1 29.339 ? 105 LEU   A O    1 ? 2 
ATOM   3193 C CB   . LEU   B 1 93  ? -16.126 -0.412  -0.13   1 27.3   ? 105 LEU   A CB   1 ? 2 
ATOM   3194 C CG   . LEU   B 1 93  ? -17.006 0.794   -0.373  1 28.212 ? 105 LEU   A CG   1 ? 2 
ATOM   3195 C CD1  . LEU   B 1 93  ? -17.001 1.693   0.825   1 27.3   ? 105 LEU   A CD1  1 ? 2 
ATOM   3196 C CD2  . LEU   B 1 93  ? -16.554 1.592   -1.572  1 28.674 ? 105 LEU   A CD2  1 ? 2 
ATOM   3197 H H    . LEU   B 1 93  ? -17.74  -2.498  -0.966  1 29.027 ? 105 LEU   A H    1 c 2 
ATOM   3198 H HA   . LEU   B 1 93  ? -15.61  -1.014  -2.031  1 28.927 ? 105 LEU   A HA   1 c 2 
ATOM   3199 H HB2  . LEU   B 1 93  ? -16.456 -0.872  0.677   1 26.936 ? 105 LEU   A HB2  1 c 2 
ATOM   3200 H HB3  . LEU   B 1 93  ? -15.221 -0.089  0.085   1 26.886 ? 105 LEU   A HB3  1 c 2 
ATOM   3201 H HG   . LEU   B 1 93  ? -17.934 0.481   -0.531  1 28.699 ? 105 LEU   A HG   1 c 2 
ATOM   3202 H HD11 . LEU   B 1 93  ? -17.29  1.194   1.608   1 26.782 ? 105 LEU   A HD11 1 c 2 
ATOM   3203 H HD12 . LEU   B 1 93  ? -17.608 2.437   0.676   1 27.347 ? 105 LEU   A HD12 1 c 2 
ATOM   3204 H HD13 . LEU   B 1 93  ? -16.103 2.034   0.973   1 26.731 ? 105 LEU   A HD13 1 c 2 
ATOM   3205 H HD21 . LEU   B 1 93  ? -16.7   1.074   -2.382  1 29.982 ? 105 LEU   A HD21 1 c 2 
ATOM   3206 H HD22 . LEU   B 1 93  ? -15.608 1.798   -1.487  1 28.466 ? 105 LEU   A HD22 1 c 2 
ATOM   3207 H HD23 . LEU   B 1 93  ? -17.062 2.419   -1.623  1 28.798 ? 105 LEU   A HD23 1 c 2 
ATOM   3208 N N    . LEU   B 1 94  ? -13.865 -2.514  -1.261  1 27.147 ? 106 LEU   A N    1 ? 2 
ATOM   3209 C CA   . LEU   B 1 94  ? -12.786 -3.297  -0.696  1 27.182 ? 106 LEU   A CA   1 ? 2 
ATOM   3210 C C    . LEU   B 1 94  ? -11.719 -2.377  -0.123  1 26.563 ? 106 LEU   A C    1 ? 2 
ATOM   3211 O O    . LEU   B 1 94  ? -11.292 -1.41   -0.819  1 27.987 ? 106 LEU   A O    1 ? 2 
ATOM   3212 C CB   . LEU   B 1 94  ? -12.233 -4.196  -1.8    1 28.906 ? 106 LEU   A CB   1 ? 2 
ATOM   3213 C CG   . LEU   B 1 94  ? -11.181 -5.225  -1.336  1 30.793 ? 106 LEU   A CG   1 ? 2 
ATOM   3214 C CD1  . LEU   B 1 94  ? -11.768 -6.276  -0.413  1 30.685 ? 106 LEU   A CD1  1 ? 2 
ATOM   3215 C CD2  . LEU   B 1 94  ? -10.559 -5.885  -2.51   1 35.963 ? 106 LEU   A CD2  1 ? 2 
ATOM   3216 H H    . LEU   B 1 94  ? -13.683 -1.965  -1.968  1 28.038 ? 106 LEU   A H    1 c 2 
ATOM   3217 H HA   . LEU   B 1 94  ? -13.15  -3.86   0.033   1 26.74  ? 106 LEU   A HA   1 c 2 
ATOM   3218 H HB2  . LEU   B 1 94  ? -12.986 -4.681  -2.21   1 30.131 ? 106 LEU   A HB2  1 c 2 
ATOM   3219 H HB3  . LEU   B 1 94  ? -11.826 -3.623  -2.49   1 29.916 ? 106 LEU   A HB3  1 c 2 
ATOM   3220 H HG   . LEU   B 1 94  ? -10.469 -4.743  -0.842  1 30.324 ? 106 LEU   A HG   1 c 2 
ATOM   3221 H HD11 . LEU   B 1 94  ? -12.031 -5.862  0.425   1 29.186 ? 106 LEU   A HD11 1 c 2 
ATOM   3222 H HD12 . LEU   B 1 94  ? -11.104 -6.964  -0.238  1 31.365 ? 106 LEU   A HD12 1 c 2 
ATOM   3223 H HD13 . LEU   B 1 94  ? -12.547 -6.679  -0.832  1 31.388 ? 106 LEU   A HD13 1 c 2 
ATOM   3224 H HD21 . LEU   B 1 94  ? -10.14  -5.215  -3.076  1 35.5   ? 106 LEU   A HD21 1 c 2 
ATOM   3225 H HD22 . LEU   B 1 94  ? -11.241 -6.356  -3.018  1 36.098 ? 106 LEU   A HD22 1 c 2 
ATOM   3226 H HD23 . LEU   B 1 94  ? -9.886  -6.519  -2.209  1 35.654 ? 106 LEU   A HD23 1 c 2 
ATOM   3227 N N    . ILE   B 1 95  ? -11.283 -2.676  1.108   1 24.684 ? 107 ILE   A N    1 ? 2 
ATOM   3228 C CA   . ILE   B 1 95  ? -10.647 -1.713  1.971   1 26.377 ? 107 ILE   A CA   1 ? 2 
ATOM   3229 C C    . ILE   B 1 95  ? -9.366  -2.261  2.566   1 23.112 ? 107 ILE   A C    1 ? 2 
ATOM   3230 O O    . ILE   B 1 95  ? -9.37   -3.25   3.31    1 26.972 ? 107 ILE   A O    1 ? 2 
ATOM   3231 C CB   . ILE   B 1 95  ? -11.583 -1.236  3.096   1 24.535 ? 107 ILE   A CB   1 ? 2 
ATOM   3232 C CG1  . ILE   B 1 95  ? -12.849 -0.653  2.522   1 26.033 ? 107 ILE   A CG1  1 ? 2 
ATOM   3233 C CG2  . ILE   B 1 95  ? -10.806 -0.235  3.92    1 26.989 ? 107 ILE   A CG2  1 ? 2 
ATOM   3234 C CD1  . ILE   B 1 95  ? -14.002 -0.58   3.531   1 28.081 ? 107 ILE   A CD1  1 ? 2 
ATOM   3235 H H    . ILE   B 1 95  ? -11.387 -3.53   1.415   1 25.712 ? 107 ILE   A H    1 c 2 
ATOM   3236 H HA   . ILE   B 1 95  ? -10.417 -0.934  1.43    1 25.242 ? 107 ILE   A HA   1 c 2 
ATOM   3237 H HB   . ILE   B 1 95  ? -11.814 -2.002  3.659   1 25.387 ? 107 ILE   A HB   1 c 2 
ATOM   3238 H HG12 . ILE   B 1 95  ? -12.66  0.248   2.192   1 26.18  ? 107 ILE   A HG12 1 c 2 
ATOM   3239 H HG13 . ILE   B 1 95  ? -13.135 -1.197  1.762   1 26.89  ? 107 ILE   A HG13 1 c 2 
ATOM   3240 H HG21 . ILE   B 1 95  ? -11.421 0.287   4.46    1 25.45  ? 107 ILE   A HG21 1 c 2 
ATOM   3241 H HG22 . ILE   B 1 95  ? -10.308 0.359   3.334   1 26.419 ? 107 ILE   A HG22 1 c 2 
ATOM   3242 H HG23 . ILE   B 1 95  ? -10.189 -0.704  4.506   1 26.225 ? 107 ILE   A HG23 1 c 2 
ATOM   3243 H HD11 . ILE   B 1 95  ? -14.173 -1.471  3.89    1 27.358 ? 107 ILE   A HD11 1 c 2 
ATOM   3244 H HD12 . ILE   B 1 95  ? -14.806 -0.25   3.087   1 27.339 ? 107 ILE   A HD12 1 c 2 
ATOM   3245 H HD13 . ILE   B 1 95  ? -13.765 0.022   4.261   1 26.67  ? 107 ILE   A HD13 1 c 2 
ATOM   3246 N N    . LYS   B 1 96  ? -8.218  -1.661  2.192   1 27.912 ? 108 LYS   A N    1 ? 2 
ATOM   3247 C CA   . LYS   B 1 96  ? -6.986  -2.048  2.865   1 27.375 ? 108 LYS   A CA   1 ? 2 
ATOM   3248 C C    . LYS   B 1 96  ? -6.969  -1.554  4.316   1 28.053 ? 108 LYS   A C    1 ? 2 
ATOM   3249 O O    . LYS   B 1 96  ? -7.678  -0.652  4.722   1 27.73  ? 108 LYS   A O    1 ? 2 
ATOM   3250 C CB   . LYS   B 1 96  ? -5.864  -1.406  2.031   1 29.753 ? 108 LYS   A CB   1 ? 2 
ATOM   3251 C CG   . LYS   B 1 96  ? -5.642  -1.974  0.62    1 33.598 ? 108 LYS   A CG   1 ? 2 
ATOM   3252 C CD   . LYS   B 1 96  ? -4.454  -1.392  -0.188  1 40.615 ? 108 LYS   A CD   1 ? 2 
ATOM   3253 C CE   . LYS   B 1 96  ? -4.304  -1.99   -1.591  1 44.115 ? 108 LYS   A CE   1 ? 2 
ATOM   3254 N NZ   . LYS   B 1 96  ? -3.314  -1.213  -2.35   1 51.414 ? 108 LYS   A NZ   1 ? 2 
ATOM   3255 H H    . LYS   B 1 96  ? -8.205  -1.027  1.533   1 26.92  ? 108 LYS   A H    1 c 2 
ATOM   3256 H HA   . LYS   B 1 96  ? -6.905  -3.034  2.842   1 28.638 ? 108 LYS   A HA   1 c 2 
ATOM   3257 H HB2  . LYS   B 1 96  ? -6.053  -0.447  1.947   1 29.562 ? 108 LYS   A HB2  1 c 2 
ATOM   3258 H HB3  . LYS   B 1 96  ? -5.024  -1.494  2.527   1 30.728 ? 108 LYS   A HB3  1 c 2 
ATOM   3259 H HG2  . LYS   B 1 96  ? -5.516  -2.945  0.701   1 34.636 ? 108 LYS   A HG2  1 c 2 
ATOM   3260 H HG3  . LYS   B 1 96  ? -6.464  -1.834  0.105   1 33.641 ? 108 LYS   A HG3  1 c 2 
ATOM   3261 H HD2  . LYS   B 1 96  ? -4.57   -0.421  -0.267  1 39.277 ? 108 LYS   A HD2  1 c 2 
ATOM   3262 H HD3  . LYS   B 1 96  ? -3.625  -1.551  0.314   1 40.404 ? 108 LYS   A HD3  1 c 2 
ATOM   3263 H HE2  . LYS   B 1 96  ? -4.006  -2.915  -1.527  1 45.742 ? 108 LYS   A HE2  1 c 2 
ATOM   3264 H HE3  . LYS   B 1 96  ? -5.158  -1.972  -2.058  1 44.369 ? 108 LYS   A HE3  1 c 2 
ATOM   3265 H HZ1  . LYS   B 1 96  ? -2.493  -1.331  -1.985  1 50.491 ? 108 LYS   A HZ1  1 c 2 
ATOM   3266 H HZ2  . LYS   B 1 96  ? -3.522  -0.333  -2.322  1 48.794 ? 108 LYS   A HZ2  1 c 2 
ATOM   3267 H HZ3  . LYS   B 1 96  ? -3.295  -1.498  -3.209  1 50.937 ? 108 LYS   A HZ3  1 c 2 
ATOM   3268 N N    . PRO   B 1 97  ? -6.133  -2.187  5.172   1 26.23  ? 109 PRO   A N    1 ? 2 
ATOM   3269 C CA   . PRO   B 1 97  ? -6.081  -1.92   6.582   1 29.168 ? 109 PRO   A CA   1 ? 2 
ATOM   3270 C C    . PRO   B 1 97  ? -5.857  -0.481  6.984   1 28.996 ? 109 PRO   A C    1 ? 2 
ATOM   3271 O O    . PRO   B 1 97  ? -6.416  -0.005  7.957   1 29.336 ? 109 PRO   A O    1 ? 2 
ATOM   3272 C CB   . PRO   B 1 97  ? -5.02   -2.855  7.158   1 32.507 ? 109 PRO   A CB   1 ? 2 
ATOM   3273 C CG   . PRO   B 1 97  ? -4.554  -3.697  6.063   1 30.653 ? 109 PRO   A CG   1 ? 2 
ATOM   3274 C CD   . PRO   B 1 97  ? -5.24   -3.303  4.77    1 31.071 ? 109 PRO   A CD   1 ? 2 
ATOM   3275 H HA   . PRO   B 1 97  ? -6.939  -2.201  6.965   1 27.925 ? 109 PRO   A HA   1 c 2 
ATOM   3276 H HB2  . PRO   B 1 97  ? -4.277  -2.342  7.533   1 32.06  ? 109 PRO   A HB2  1 c 2 
ATOM   3277 H HB3  . PRO   B 1 97  ? -5.398  -3.403  7.872   1 31.01  ? 109 PRO   A HB3  1 c 2 
ATOM   3278 H HG2  . PRO   B 1 97  ? -3.586  -3.603  5.961   1 32.85  ? 109 PRO   A HG2  1 c 2 
ATOM   3279 H HG3  . PRO   B 1 97  ? -4.745  -4.634  6.26    1 31.739 ? 109 PRO   A HG3  1 c 2 
ATOM   3280 H HD2  . PRO   B 1 97  ? -4.592  -3.006  4.104   1 31.064 ? 109 PRO   A HD2  1 c 2 
ATOM   3281 H HD3  . PRO   B 1 97  ? -5.758  -4.047  4.408   1 30.031 ? 109 PRO   A HD3  1 c 2 
ATOM   3282 N N    . GLU   B 1 98  ? -5.057  0.238   6.196   1 30.313 ? 110 GLU   A N    1 ? 2 
ATOM   3283 C CA   . GLU   B 1 98  ? -4.746  1.622   6.489   1 30.536 ? 110 GLU   A CA   1 ? 2 
ATOM   3284 C C    . GLU   B 1 98  ? -6.021  2.471   6.572   1 28.696 ? 110 GLU   A C    1 ? 2 
ATOM   3285 O O    . GLU   B 1 98  ? -5.952  3.468   7.279   1 28.901 ? 110 GLU   A O    1 ? 2 
ATOM   3286 C CB   . GLU   B 1 98  ? -3.723  2.162   5.496   1 33.561 ? 110 GLU   A CB   1 ? 2 
ATOM   3287 C CG   . GLU   B 1 98  ? -2.434  1.334   5.551   1 42.897 ? 110 GLU   A CG   1 ? 2 
ATOM   3288 C CD   . GLU   B 1 98  ? -2.335  -0.093  4.962   1 50.839 ? 110 GLU   A CD   1 ? 2 
ATOM   3289 O OE1  . GLU   B 1 98  ? -3.147  -0.434  4.037   1 36.322 ? 110 GLU   A OE1  1 ? 2 
ATOM   3290 O OE2  . GLU   B 1 98  ? -1.42   -0.874  5.432   1 61.764 ? 110 GLU   A OE2  1 ? 2 
ATOM   3291 H H    . GLU   B 1 98  ? -4.715  -0.141  5.439   1 30.987 ? 110 GLU   A H    1 c 2 
ATOM   3292 H HA   . GLU   B 1 98  ? -4.317  1.645   7.382   1 31.319 ? 110 GLU   A HA   1 c 2 
ATOM   3293 H HB2  . GLU   B 1 98  ? -4.103  2.13    4.593   1 34.412 ? 110 GLU   A HB2  1 c 2 
ATOM   3294 H HB3  . GLU   B 1 98  ? -3.529  3.098   5.711   1 35.111 ? 110 GLU   A HB3  1 c 2 
ATOM   3295 H HG2  . GLU   B 1 98  ? -1.73   1.866   5.122   1 43.795 ? 110 GLU   A HG2  1 c 2 
ATOM   3296 H HG3  . GLU   B 1 98  ? -2.17   1.27    6.493   1 42.571 ? 110 GLU   A HG3  1 c 2 
ATOM   3297 N N    . TYR   B 1 99  ? -7.119  2.106   5.869   1 27.205 ? 111 TYR   A N    1 ? 2 
ATOM   3298 C CA   . TYR   B 1 99  ? -8.361  2.855   5.799   1 22.768 ? 111 TYR   A CA   1 ? 2 
ATOM   3299 C C    . TYR   B 1 99  ? -9.447  2.189   6.655   1 24.233 ? 111 TYR   A C    1 ? 2 
ATOM   3300 O O    . TYR   B 1 99  ? -10.611 2.578   6.545   1 27.111 ? 111 TYR   A O    1 ? 2 
ATOM   3301 C CB   . TYR   B 1 99  ? -8.8    3.03    4.371   1 26.073 ? 111 TYR   A CB   1 ? 2 
ATOM   3302 C CG   . TYR   B 1 99  ? -7.839  3.923   3.613   1 25.731 ? 111 TYR   A CG   1 ? 2 
ATOM   3303 C CD1  . TYR   B 1 99  ? -6.689  3.455   2.977   1 29.53  ? 111 TYR   A CD1  1 ? 2 
ATOM   3304 C CD2  . TYR   B 1 99  ? -8.183  5.234   3.402   1 29.993 ? 111 TYR   A CD2  1 ? 2 
ATOM   3305 C CE1  . TYR   B 1 99  ? -5.841  4.296   2.265   1 31.128 ? 111 TYR   A CE1  1 ? 2 
ATOM   3306 C CE2  . TYR   B 1 99  ? -7.309  6.117   2.745   1 31.54  ? 111 TYR   A CE2  1 ? 2 
ATOM   3307 C CZ   . TYR   B 1 99  ? -6.14   5.652   2.164   1 33.682 ? 111 TYR   A CZ   1 ? 2 
ATOM   3308 O OH   . TYR   B 1 99  ? -5.279  6.496   1.484   1 37.726 ? 111 TYR   A OH   1 ? 2 
ATOM   3309 H H    . TYR   B 1 99  ? -7.071  1.331   5.386   1 26.614 ? 111 TYR   A H    1 c 2 
ATOM   3310 H HA   . TYR   B 1 99  ? -8.192  3.758   6.174   1 24.769 ? 111 TYR   A HA   1 c 2 
ATOM   3311 H HB2  . TYR   B 1 99  ? -8.838  2.149   3.938   1 25.008 ? 111 TYR   A HB2  1 c 2 
ATOM   3312 H HB3  . TYR   B 1 99  ? -9.697  3.431   4.357   1 24.349 ? 111 TYR   A HB3  1 c 2 
ATOM   3313 H HD1  . TYR   B 1 99  ? -6.453  2.546   3.071   1 29.12  ? 111 TYR   A HD1  1 c 2 
ATOM   3314 H HD2  . TYR   B 1 99  ? -8.947  5.584   3.832   1 28.182 ? 111 TYR   A HD2  1 c 2 
ATOM   3315 H HE1  . TYR   B 1 99  ? -5.038  3.962   1.903   1 32.886 ? 111 TYR   A HE1  1 c 2 
ATOM   3316 H HE2  . TYR   B 1 99  ? -7.539  7.027   2.662   1 31.861 ? 111 TYR   A HE2  1 c 2 
ATOM   3317 H HH   . TYR   B 1 99  ? -4.589  6.045   1.194   0 20     ? 111 TYR   A HH   1 c 2 
ATOM   3318 N N    . ALA   B 1 100 ? -9.077  1.195   7.453   1 23.824 ? 112 ALA   A N    1 ? 2 
ATOM   3319 C CA   . ALA   B 1 100 ? -10.031 0.455   8.247   1 24.611 ? 112 ALA   A CA   1 ? 2 
ATOM   3320 C C    . ALA   B 1 100 ? -9.495  0.452   9.668   1 25.169 ? 112 ALA   A C    1 ? 2 
ATOM   3321 O O    . ALA   B 1 100 ? -9.601  1.51    10.365  1 26.345 ? 112 ALA   A O    1 ? 2 
ATOM   3322 C CB   . ALA   B 1 100 ? -10.265 -0.934  7.684   1 25.539 ? 112 ALA   A CB   1 ? 2 
ATOM   3323 H H    . ALA   B 1 100 ? -8.194  0.97    7.513   1 24.987 ? 112 ALA   A H    1 c 2 
ATOM   3324 H HA   . ALA   B 1 100 ? -10.894 0.952   8.245   1 23.999 ? 112 ALA   A HA   1 c 2 
ATOM   3325 H HB1  . ALA   B 1 100 ? -10.845 -0.877  6.906   1 25.003 ? 112 ALA   A HB1  1 c 2 
ATOM   3326 H HB2  . ALA   B 1 100 ? -9.417  -1.33   7.423   1 25.87  ? 112 ALA   A HB2  1 c 2 
ATOM   3327 H HB3  . ALA   B 1 100 ? -10.688 -1.494  8.357   1 25.217 ? 112 ALA   A HB3  1 c 2 
ATOM   3328 N N    . TYR   B 1 101 ? -8.868  -0.631  10.122  1 23.562 ? 113 TYR   A N    1 ? 2 
ATOM   3329 C CA   . TYR   B 1 101 ? -8.431  -0.757  11.5    1 24.09  ? 113 TYR   A CA   1 ? 2 
ATOM   3330 C C    . TYR   B 1 101 ? -6.915  -0.943  11.684  1 28.87  ? 113 TYR   A C    1 ? 2 
ATOM   3331 O O    . TYR   B 1 101 ? -6.401  -1.083  12.804  1 29.742 ? 113 TYR   A O    1 ? 2 
ATOM   3332 C CB   . TYR   B 1 101 ? -9.145  -1.914  12.212  1 25.819 ? 113 TYR   A CB   1 ? 2 
ATOM   3333 C CG   . TYR   B 1 101 ? -10.649 -1.696  12.335  1 27.403 ? 113 TYR   A CG   1 ? 2 
ATOM   3334 C CD1  . TYR   B 1 101 ? -11.182 -0.763  13.223  1 24.64  ? 113 TYR   A CD1  1 ? 2 
ATOM   3335 C CD2  . TYR   B 1 101 ? -11.538 -2.209  11.363  1 24.398 ? 113 TYR   A CD2  1 ? 2 
ATOM   3336 C CE1  . TYR   B 1 101 ? -12.546 -0.522  13.293  1 24.532 ? 113 TYR   A CE1  1 ? 2 
ATOM   3337 C CE2  . TYR   B 1 101 ? -12.901 -1.935  11.439  1 23.089 ? 113 TYR   A CE2  1 ? 2 
ATOM   3338 C CZ   . TYR   B 1 101 ? -13.422 -1.107  12.424  1 24.81  ? 113 TYR   A CZ   1 ? 2 
ATOM   3339 O OH   . TYR   B 1 101 ? -14.75  -0.758  12.47   1 23.009 ? 113 TYR   A OH   1 ? 2 
ATOM   3340 H H    . TYR   B 1 101 ? -8.701  -1.323  9.549   1 24.163 ? 113 TYR   A H    1 c 2 
ATOM   3341 H HA   . TYR   B 1 101 ? -8.683  0.079   11.971  1 25.118 ? 113 TYR   A HA   1 c 2 
ATOM   3342 H HB2  . TYR   B 1 101 ? -8.98   -2.744  11.712  1 26.068 ? 113 TYR   A HB2  1 c 2 
ATOM   3343 H HB3  . TYR   B 1 101 ? -8.763  -2.017  13.112  1 26.825 ? 113 TYR   A HB3  1 c 2 
ATOM   3344 H HD1  . TYR   B 1 101 ? -10.617 -0.374  13.869  1 26.029 ? 113 TYR   A HD1  1 c 2 
ATOM   3345 H HD2  . TYR   B 1 101 ? -11.219 -2.813  10.711  1 24.7   ? 113 TYR   A HD2  1 c 2 
ATOM   3346 H HE1  . TYR   B 1 101 ? -12.875 0.07    13.946  1 25.095 ? 113 TYR   A HE1  1 c 2 
ATOM   3347 H HE2  . TYR   B 1 101 ? -13.487 -2.337  10.821  1 23.494 ? 113 TYR   A HE2  1 c 2 
ATOM   3348 H HH   . TYR   B 1 101 ? -14.877 -0.173  13.079  0 20     ? 113 TYR   A HH   1 c 2 
ATOM   3349 N N    . GLY   B 1 102 ? -6.146  -0.886  10.591  1 28.807 ? 114 GLY   A N    1 ? 2 
ATOM   3350 C CA   . GLY   B 1 102 ? -4.717  -0.645  10.684  1 31.507 ? 114 GLY   A CA   1 ? 2 
ATOM   3351 C C    . GLY   B 1 102 ? -3.94   -1.826  11.209  1 31.996 ? 114 GLY   A C    1 ? 2 
ATOM   3352 O O    . GLY   B 1 102 ? -4.444  -2.933  11.381  1 32.159 ? 114 GLY   A O    1 ? 2 
ATOM   3353 H H    . GLY   B 1 102 ? -6.519  -1.008  9.765   1 28.397 ? 114 GLY   A H    1 c 2 
ATOM   3354 H HA2  . GLY   B 1 102 ? -4.378  -0.409  9.789   1 31.197 ? 114 GLY   A HA2  1 c 2 
ATOM   3355 H HA3  . GLY   B 1 102 ? -4.565  0.13    11.274  1 31.491 ? 114 GLY   A HA3  1 c 2 
ATOM   3356 N N    . SER   B 1 103 ? -2.728  -1.498  11.692  1 34.106 ? 115 SER   A N    1 ? 2 
ATOM   3357 C CA   . SER   B 1 103 ? -1.881  -2.516  12.297  1 35.001 ? 115 SER   A CA   1 ? 2 
ATOM   3358 C C    . SER   B 1 103 ? -2.402  -2.913  13.643  1 34.151 ? 115 SER   A C    1 ? 2 
ATOM   3359 O O    . SER   B 1 103 ? -2.154  -4.012  14.061  1 35.959 ? 115 SER   A O    1 ? 2 
ATOM   3360 C CB   . SER   B 1 103 ? -0.416  -2.124  12.359  1 41.513 ? 115 SER   A CB   1 ? 2 
ATOM   3361 O OG   . SER   B 1 103 ? -0.361  -0.867  12.958  1 43.855 ? 115 SER   A OG   1 ? 2 
ATOM   3362 H H    . SER   B 1 103 ? -2.428  -0.636  11.641  1 34.266 ? 115 SER   A H    1 c 2 
ATOM   3363 H HA   . SER   B 1 103 ? -1.941  -3.317  11.721  1 35.422 ? 115 SER   A HA   1 c 2 
ATOM   3364 H HB2  . SER   B 1 103 ? 0.083   -2.773  12.891  1 42.293 ? 115 SER   A HB2  1 c 2 
ATOM   3365 H HB3  . SER   B 1 103 ? -0.04   -2.084  11.46   1 41.173 ? 115 SER   A HB3  1 c 2 
ATOM   3366 H HG   . SER   B 1 103 ? 0.455   -0.628  13.019  0 20     ? 115 SER   A HG   1 c 2 
ATOM   3367 N N    . ALA   B 1 104 ? -3.067  -2.013  14.361  1 35.333 ? 116 ALA   A N    1 ? 2 
ATOM   3368 C CA   . ALA   B 1 104 ? -3.51   -2.356  15.69   1 36.538 ? 116 ALA   A CA   1 ? 2 
ATOM   3369 C C    . ALA   B 1 104 ? -4.69   -3.336  15.677  1 32.044 ? 116 ALA   A C    1 ? 2 
ATOM   3370 O O    . ALA   B 1 104 ? -4.845  -4.124  16.652  1 34.405 ? 116 ALA   A O    1 ? 2 
ATOM   3371 C CB   . ALA   B 1 104 ? -3.881  -1.066  16.41   1 41.44  ? 116 ALA   A CB   1 ? 2 
ATOM   3372 H H    . ALA   B 1 104 ? -3.243  -1.181  14.026  1 34.481 ? 116 ALA   A H    1 c 2 
ATOM   3373 H HA   . ALA   B 1 104 ? -2.751  -2.788  16.172  1 38.223 ? 116 ALA   A HA   1 c 2 
ATOM   3374 H HB1  . ALA   B 1 104 ? -3.105  -0.482  16.456  1 41.137 ? 116 ALA   A HB1  1 c 2 
ATOM   3375 H HB2  . ALA   B 1 104 ? -4.594  -0.615  15.927  1 38.434 ? 116 ALA   A HB2  1 c 2 
ATOM   3376 H HB3  . ALA   B 1 104 ? -4.183  -1.27   17.312  1 40.6   ? 116 ALA   A HB3  1 c 2 
ATOM   3377 N N    . GLY   B 1 105 ? -5.474  -3.258  14.632  1 30.101 ? 117 GLY   A N    1 ? 2 
ATOM   3378 C CA   . GLY   B 1 105 ? -6.758  -3.915  14.492  1 30.718 ? 117 GLY   A CA   1 ? 2 
ATOM   3379 C C    . GLY   B 1 105 ? -7.749  -3.463  15.567  1 32.321 ? 117 GLY   A C    1 ? 2 
ATOM   3380 O O    . GLY   B 1 105 ? -7.624  -2.356  16.059  1 31.363 ? 117 GLY   A O    1 ? 2 
ATOM   3381 H H    . GLY   B 1 105 ? -5.194  -2.741  13.933  1 30.173 ? 117 GLY   A H    1 c 2 
ATOM   3382 H HA2  . GLY   B 1 105 ? -7.126  -3.713  13.6    1 29.531 ? 117 GLY   A HA2  1 c 2 
ATOM   3383 H HA3  . GLY   B 1 105 ? -6.627  -4.89   14.552  1 31.168 ? 117 GLY   A HA3  1 c 2 
ATOM   3384 N N    . SER   B 1 106 ? -8.694  -4.35   15.89   1 27.882 ? 118 SER   A N    1 ? 2 
ATOM   3385 C CA   . SER   B 1 106 ? -9.722  -4.087  16.917  1 28.305 ? 118 SER   A CA   1 ? 2 
ATOM   3386 C C    . SER   B 1 106 ? -10.067 -5.411  17.558  1 28.609 ? 118 SER   A C    1 ? 2 
ATOM   3387 O O    . SER   B 1 106 ? -11.143 -5.899  17.334  1 29.916 ? 118 SER   A O    1 ? 2 
ATOM   3388 C CB   . SER   B 1 106 ? -10.899 -3.383  16.336  1 25.931 ? 118 SER   A CB   1 ? 2 
ATOM   3389 O OG   . SER   B 1 106 ? -11.806 -2.918  17.364  1 29.738 ? 118 SER   A OG   1 ? 2 
ATOM   3390 H H    . SER   B 1 106 ? -8.71   -5.153  15.455  1 28.78  ? 118 SER   A H    1 c 2 
ATOM   3391 H HA   . SER   B 1 106 ? -9.323  -3.503  17.611  1 28.869 ? 118 SER   A HA   1 c 2 
ATOM   3392 H HB2  . SER   B 1 106 ? -10.589 -2.621  15.811  1 26.149 ? 118 SER   A HB2  1 c 2 
ATOM   3393 H HB3  . SER   B 1 106 ? -11.374 -3.989  15.735  1 26.269 ? 118 SER   A HB3  1 c 2 
ATOM   3394 H HG   . SER   B 1 106 ? -12.467 -2.516  16.987  0 20     ? 118 SER   A HG   1 c 2 
ATOM   3395 N N    . LEU   B 1 107 ? -9.101  -5.968  18.271  1 31.362 ? 119 LEU   A N    1 ? 2 
ATOM   3396 C CA   . LEU   B 1 107 ? -9.174  -7.323  18.767  1 32.511 ? 119 LEU   A CA   1 ? 2 
ATOM   3397 C C    . LEU   B 1 107 ? -10.184 -7.337  19.894  1 36.261 ? 119 LEU   A C    1 ? 2 
ATOM   3398 O O    . LEU   B 1 107 ? -10.24  -6.369  20.68   1 34.457 ? 119 LEU   A O    1 ? 2 
ATOM   3399 C CB   . LEU   B 1 107 ? -7.807  -7.815  19.152  1 36.074 ? 119 LEU   A CB   1 ? 2 
ATOM   3400 C CG   . LEU   B 1 107 ? -6.955  -8.254  17.936  1 41.195 ? 119 LEU   A CG   1 ? 2 
ATOM   3401 C CD1  . LEU   B 1 107 ? -5.506  -8.618  18.244  1 49.342 ? 119 LEU   A CD1  1 ? 2 
ATOM   3402 C CD2  . LEU   B 1 107 ? -7.626  -9.486  17.39   1 40.066 ? 119 LEU   A CD2  1 ? 2 
ATOM   3403 H H    . LEU   B 1 107 ? -8.355  -5.475  18.459  1 31.541 ? 119 LEU   A H    1 c 2 
ATOM   3404 H HA   . LEU   B 1 107 ? -9.524  -7.887  18.037  1 32.737 ? 119 LEU   A HA   1 c 2 
ATOM   3405 H HB2  . LEU   B 1 107 ? -7.334  -7.093  19.626  1 37.273 ? 119 LEU   A HB2  1 c 2 
ATOM   3406 H HB3  . LEU   B 1 107 ? -7.908  -8.581  19.763  1 38.108 ? 119 LEU   A HB3  1 c 2 
ATOM   3407 H HG   . LEU   B 1 107 ? -6.976  -7.538  17.249  1 39.483 ? 119 LEU   A HG   1 c 2 
ATOM   3408 H HD11 . LEU   B 1 107 ? -5.068  -7.868  18.68   1 47.839 ? 119 LEU   A HD11 1 c 2 
ATOM   3409 H HD12 . LEU   B 1 107 ? -5.04   -8.827  17.417  1 47.012 ? 119 LEU   A HD12 1 c 2 
ATOM   3410 H HD13 . LEU   B 1 107 ? -5.483  -9.392  18.832  1 48.697 ? 119 LEU   A HD13 1 c 2 
ATOM   3411 H HD21 . LEU   B 1 107 ? -8.425  -9.234  16.9    1 38.949 ? 119 LEU   A HD21 1 c 2 
ATOM   3412 H HD22 . LEU   B 1 107 ? -7.867  -10.079 18.121  1 41.443 ? 119 LEU   A HD22 1 c 2 
ATOM   3413 H HD23 . LEU   B 1 107 ? -7.016  -9.949  16.791  1 40.632 ? 119 LEU   A HD23 1 c 2 
ATOM   3414 N N    . PRO   B 1 108 ? -10.911 -8.45   20.151  1 35.973 ? 120 PRO   A N    1 ? 2 
ATOM   3415 C CA   . PRO   B 1 108 ? -10.744 -9.706  19.428  1 36.494 ? 120 PRO   A CA   1 ? 2 
ATOM   3416 C C    . PRO   B 1 108 ? -11.515 -9.769  18.102  1 35.16  ? 120 PRO   A C    1 ? 2 
ATOM   3417 O O    . PRO   B 1 108 ? -11.289 -10.653 17.291  1 38.542 ? 120 PRO   A O    1 ? 2 
ATOM   3418 C CB   . PRO   B 1 108 ? -11.363 -10.703 20.372  1 36.948 ? 120 PRO   A CB   1 ? 2 
ATOM   3419 C CG   . PRO   B 1 108 ? -12.37  -9.885  21.186  1 39.54  ? 120 PRO   A CG   1 ? 2 
ATOM   3420 C CD   . PRO   B 1 108 ? -11.682 -8.607  21.389  1 38.902 ? 120 PRO   A CD   1 ? 2 
ATOM   3421 H HA   . PRO   B 1 108 ? -9.796  -9.9    19.286  1 36.505 ? 120 PRO   A HA   1 c 2 
ATOM   3422 H HB2  . PRO   B 1 108 ? -11.811 -11.419 19.881  1 37.806 ? 120 PRO   A HB2  1 c 2 
ATOM   3423 H HB3  . PRO   B 1 108 ? -10.684 -11.097 20.953  1 39.251 ? 120 PRO   A HB3  1 c 2 
ATOM   3424 H HG2  . PRO   B 1 108 ? -13.204 -9.757  20.691  1 38.132 ? 120 PRO   A HG2  1 c 2 
ATOM   3425 H HG3  . PRO   B 1 108 ? -12.565 -10.316 22.04   1 40.861 ? 120 PRO   A HG3  1 c 2 
ATOM   3426 H HD2  . PRO   B 1 108 ? -12.317 -7.875  21.5    1 38.342 ? 120 PRO   A HD2  1 c 2 
ATOM   3427 H HD3  . PRO   B 1 108 ? -11.09  -8.642  22.165  1 40.158 ? 120 PRO   A HD3  1 c 2 
ATOM   3428 N N    . LYS   B 1 109 ? -12.336 -8.775  17.819  1 33.902 ? 121 LYS   A N    1 ? 2 
ATOM   3429 C CA   . LYS   B 1 109 ? -13.218 -8.798  16.653  1 35.108 ? 121 LYS   A CA   1 ? 2 
ATOM   3430 C C    . LYS   B 1 109 ? -12.441 -8.709  15.33   1 33.215 ? 121 LYS   A C    1 ? 2 
ATOM   3431 O O    . LYS   B 1 109 ? -12.694 -9.487  14.406  1 32.855 ? 121 LYS   A O    1 ? 2 
ATOM   3432 C CB   . LYS   B 1 109 ? -14.298 -7.739  16.768  1 36.43  ? 121 LYS   A CB   1 ? 2 
ATOM   3433 C CG   . LYS   B 1 109 ? -15.293 -7.676  15.546  1 36.409 ? 121 LYS   A CG   1 ? 2 
ATOM   3434 C CD   . LYS   B 1 109 ? -16.407 -6.661  15.739  1 40.392 ? 121 LYS   A CD   1 ? 2 
ATOM   3435 C CE   . LYS   B 1 109 ? -17.123 -6.691  17.038  1 44.078 ? 121 LYS   A CE   1 ? 2 
ATOM   3436 N NZ   . LYS   B 1 109 ? -18.129 -7.777  17.131  1 45.189 ? 121 LYS   A NZ   1 ? 2 
ATOM   3437 H H    . LYS   B 1 109 ? -12.362 -8.045  18.368  1 34.473 ? 121 LYS   A H    1 c 2 
ATOM   3438 H HA   . LYS   B 1 109 ? -13.686 -9.671  16.658  1 35.73  ? 121 LYS   A HA   1 c 2 
ATOM   3439 H HB2  . LYS   B 1 109 ? -14.814 -7.914  17.583  1 37.427 ? 121 LYS   A HB2  1 c 2 
ATOM   3440 H HB3  . LYS   B 1 109 ? -13.871 -6.862  16.868  1 35.544 ? 121 LYS   A HB3  1 c 2 
ATOM   3441 H HG2  . LYS   B 1 109 ? -14.787 -7.446  14.738  1 36.022 ? 121 LYS   A HG2  1 c 2 
ATOM   3442 H HG3  . LYS   B 1 109 ? -15.688 -8.566  15.414  1 37.908 ? 121 LYS   A HG3  1 c 2 
ATOM   3443 H HD2  . LYS   B 1 109 ? -16.026 -5.764  15.615  1 38.858 ? 121 LYS   A HD2  1 c 2 
ATOM   3444 H HD3  . LYS   B 1 109 ? -17.064 -6.791  15.02   1 39.549 ? 121 LYS   A HD3  1 c 2 
ATOM   3445 H HE2  . LYS   B 1 109 ? -16.493 -6.782  17.773  1 44.017 ? 121 LYS   A HE2  1 c 2 
ATOM   3446 H HE3  . LYS   B 1 109 ? -17.582 -5.84   17.157  1 43.207 ? 121 LYS   A HE3  1 c 2 
ATOM   3447 H HZ1  . LYS   B 1 109 ? -17.723 -8.58   17.028  1 45.699 ? 121 LYS   A HZ1  1 c 2 
ATOM   3448 H HZ2  . LYS   B 1 109 ? -18.753 -7.673  16.481  1 44.983 ? 121 LYS   A HZ2  1 c 2 
ATOM   3449 H HZ3  . LYS   B 1 109 ? -18.536 -7.75   17.94   1 46.591 ? 121 LYS   A HZ3  1 c 2 
ATOM   3450 N N    . ILE   B 1 110 ? -11.515 -7.751  15.22   1 28.045 ? 122 ILE   A N    1 ? 2 
ATOM   3451 C CA   . ILE   B 1 110 ? -10.85  -7.503  13.961  1 26.933 ? 122 ILE   A CA   1 ? 2 
ATOM   3452 C C    . ILE   B 1 110 ? -9.358  -7.683  14.177  1 29.321 ? 122 ILE   A C    1 ? 2 
ATOM   3453 O O    . ILE   B 1 110 ? -8.763  -7.027  15.006  1 30.776 ? 122 ILE   A O    1 ? 2 
ATOM   3454 C CB   . ILE   B 1 110 ? -11.116 -6.082  13.42   1 29.075 ? 122 ILE   A CB   1 ? 2 
ATOM   3455 C CG1  . ILE   B 1 110 ? -12.542 -5.628  13.358  1 32.706 ? 122 ILE   A CG1  1 ? 2 
ATOM   3456 C CG2  . ILE   B 1 110 ? -10.439 -5.905  12.06   1 30.258 ? 122 ILE   A CG2  1 ? 2 
ATOM   3457 C CD1  . ILE   B 1 110 ? -13.42  -6.483  12.526  1 33.978 ? 122 ILE   A CD1  1 ? 2 
ATOM   3458 H H    . ILE   B 1 110 ? -11.297 -7.242  15.947  1 29.306 ? 122 ILE   A H    1 c 2 
ATOM   3459 H HA   . ILE   B 1 110 ? -11.162 -8.148  13.304  1 28.018 ? 122 ILE   A HA   1 c 2 
ATOM   3460 H HB   . ILE   B 1 110 ? -10.665 -5.468  14.033  1 29.538 ? 122 ILE   A HB   1 c 2 
ATOM   3461 H HG12 . ILE   B 1 110 ? -12.901 -5.604  14.269  1 32.466 ? 122 ILE   A HG12 1 c 2 
ATOM   3462 H HG13 . ILE   B 1 110 ? -12.566 -4.715  13.005  1 31.077 ? 122 ILE   A HG13 1 c 2 
ATOM   3463 H HG21 . ILE   B 1 110 ? -10.825 -5.141  11.599  1 28.85  ? 122 ILE   A HG21 1 c 2 
ATOM   3464 H HG22 . ILE   B 1 110 ? -10.571 -6.704  11.524  1 29.938 ? 122 ILE   A HG22 1 c 2 
ATOM   3465 H HG23 . ILE   B 1 110 ? -9.487  -5.756  12.186  1 30.083 ? 122 ILE   A HG23 1 c 2 
ATOM   3466 H HD11 . ILE   B 1 110 ? -13.14  -6.438  11.592  1 33.074 ? 122 ILE   A HD11 1 c 2 
ATOM   3467 H HD12 . ILE   B 1 110 ? -14.337 -6.157  12.604  1 33.375 ? 122 ILE   A HD12 1 c 2 
ATOM   3468 H HD13 . ILE   B 1 110 ? -13.378 -7.408  12.833  1 34.38  ? 122 ILE   A HD13 1 c 2 
ATOM   3469 N N    . PRO   B 1 111 ? -8.664  -8.548  13.414  1 30.613 ? 123 PRO   A N    1 ? 2 
ATOM   3470 C CA   . PRO   B 1 111 ? -7.241  -8.725  13.583  1 32.168 ? 123 PRO   A CA   1 ? 2 
ATOM   3471 C C    . PRO   B 1 111 ? -6.464  -7.566  12.968  1 27.687 ? 123 PRO   A C    1 ? 2 
ATOM   3472 O O    . PRO   B 1 111 ? -7.01   -6.809  12.202  1 30.517 ? 123 PRO   A O    1 ? 2 
ATOM   3473 C CB   . PRO   B 1 111 ? -6.936  -10.031 12.869  1 37.893 ? 123 PRO   A CB   1 ? 2 
ATOM   3474 C CG   . PRO   B 1 111 ? -8.195  -10.388 12.108  1 36.128 ? 123 PRO   A CG   1 ? 2 
ATOM   3475 C CD   . PRO   B 1 111 ? -9.264  -9.363  12.358  1 33.501 ? 123 PRO   A CD   1 ? 2 
ATOM   3476 H HA   . PRO   B 1 111 ? -7.026  -8.805  14.536  1 32.929 ? 123 PRO   A HA   1 c 2 
ATOM   3477 H HB2  . PRO   B 1 111 ? -6.182  -9.924  12.257  1 36.792 ? 123 PRO   A HB2  1 c 2 
ATOM   3478 H HB3  . PRO   B 1 111 ? -6.713  -10.731 13.513  1 37.819 ? 123 PRO   A HB3  1 c 2 
ATOM   3479 H HG2  . PRO   B 1 111 ? -8.002  -10.432 11.151  1 36.07  ? 123 PRO   A HG2  1 c 2 
ATOM   3480 H HG3  . PRO   B 1 111 ? -8.514  -11.268 12.39   1 37.043 ? 123 PRO   A HG3  1 c 2 
ATOM   3481 H HD2  . PRO   B 1 111 ? -9.444  -8.827  11.561  1 32.016 ? 123 PRO   A HD2  1 c 2 
ATOM   3482 H HD3  . PRO   B 1 111 ? -10.091 -9.783  12.664  1 33.11  ? 123 PRO   A HD3  1 c 2 
ATOM   3483 N N    . SER   B 1 112 ? -5.21   -7.528  13.355  1 30.133 ? 124 SER   A N    1 ? 2 
ATOM   3484 C CA   . SER   B 1 112 ? -4.198  -6.657  12.815  1 31.7   ? 124 SER   A CA   1 ? 2 
ATOM   3485 C C    . SER   B 1 112 ? -4.172  -6.84   11.284  1 31.524 ? 124 SER   A C    1 ? 2 
ATOM   3486 O O    . SER   B 1 112 ? -4.27   -7.945  10.802  1 34.552 ? 124 SER   A O    1 ? 2 
ATOM   3487 C CB   . SER   B 1 112 ? -2.906  -7.029  13.475  1 41.223 ? 124 SER   A CB   1 ? 2 
ATOM   3488 O OG   . SER   B 1 112 ? -1.875  -6.261  12.921  1 49.247 ? 124 SER   A OG   1 ? 2 
ATOM   3489 H H    . SER   B 1 112 ? -4.961  -8.101  14.023  1 31.502 ? 124 SER   A H    1 c 2 
ATOM   3490 H HA   . SER   B 1 112 ? -4.426  -5.718  13.034  1 31.887 ? 124 SER   A HA   1 c 2 
ATOM   3491 H HB2  . SER   B 1 112 ? -2.966  -6.86   14.434  1 41.137 ? 124 SER   A HB2  1 c 2 
ATOM   3492 H HB3  . SER   B 1 112 ? -2.724  -7.977  13.332  1 41.517 ? 124 SER   A HB3  1 c 2 
ATOM   3493 H HG   . SER   B 1 112 ? -1.159  -6.461  13.306  0 20     ? 124 SER   A HG   1 c 2 
ATOM   3494 N N    . ASN   B 1 113 ? -4.04   -5.748  10.569  1 29.601 ? 125 ASN   A N    1 ? 2 
ATOM   3495 C CA   . ASN   B 1 113 ? -3.747  -5.764  9.152   1 30.583 ? 125 ASN   A CA   1 ? 2 
ATOM   3496 C C    . ASN   B 1 113 ? -4.864  -6.469  8.337   1 29.869 ? 125 ASN   A C    1 ? 2 
ATOM   3497 O O    . ASN   B 1 113 ? -4.553  -7.076  7.284   1 32.103 ? 125 ASN   A O    1 ? 2 
ATOM   3498 C CB   . ASN   B 1 113 ? -2.329  -6.247  8.936   1 34.282 ? 125 ASN   A CB   1 ? 2 
ATOM   3499 C CG   . ASN   B 1 113 ? -1.273  -5.403  9.623   1 32.218 ? 125 ASN   A CG   1 ? 2 
ATOM   3500 O OD1  . ASN   B 1 113 ? -0.344  -5.964  10.236  1 38.431 ? 125 ASN   A OD1  1 ? 2 
ATOM   3501 N ND2  . ASN   B 1 113 ? -1.278  -4.114  9.414   1 32.981 ? 125 ASN   A ND2  1 ? 2 
ATOM   3502 H H    . ASN   B 1 113 ? -4.138  -4.938  10.98   1 29.616 ? 125 ASN   A H    1 c 2 
ATOM   3503 H HA   . ASN   B 1 113 ? -3.759  -4.826  8.858   1 30.158 ? 125 ASN   A HA   1 c 2 
ATOM   3504 H HB2  . ASN   B 1 113 ? -2.256  -7.167  9.259   1 33.949 ? 125 ASN   A HB2  1 c 2 
ATOM   3505 H HB3  . ASN   B 1 113 ? -2.145  -6.255  7.976   1 33.497 ? 125 ASN   A HB3  1 c 2 
ATOM   3506 H HD21 . ASN   B 1 113 ? -0.701  -3.598  9.845   1 33.53  ? 125 ASN   A HD21 1 c 2 
ATOM   3507 H HD22 . ASN   B 1 113 ? -1.843  -3.755  8.833   1 31.433 ? 125 ASN   A HD22 1 c 2 
ATOM   3508 N N    . ALA   B 1 114 ? -6.119  -6.215  8.726   1 28.751 ? 126 ALA   A N    1 ? 2 
ATOM   3509 C CA   . ALA   B 1 114 ? -7.265  -6.824  8.081   1 26.613 ? 126 ALA   A CA   1 ? 2 
ATOM   3510 C C    . ALA   B 1 114 ? -7.746  -6      6.884   1 27.406 ? 126 ALA   A C    1 ? 2 
ATOM   3511 O O    . ALA   B 1 114 ? -7.871  -4.782  6.957   1 28.435 ? 126 ALA   A O    1 ? 2 
ATOM   3512 C CB   . ALA   B 1 114 ? -8.353  -7.012  9.062   1 26.924 ? 126 ALA   A CB   1 ? 2 
ATOM   3513 H H    . ALA   B 1 114 ? -6.264  -5.632  9.415   1 27.764 ? 126 ALA   A H    1 c 2 
ATOM   3514 H HA   . ALA   B 1 114 ? -6.985  -7.72   7.745   1 28.458 ? 126 ALA   A HA   1 c 2 
ATOM   3515 H HB1  . ALA   B 1 114 ? -8.042  -7.576  9.79    1 27.376 ? 126 ALA   A HB1  1 c 2 
ATOM   3516 H HB2  . ALA   B 1 114 ? -8.625  -6.15   9.418   1 25.773 ? 126 ALA   A HB2  1 c 2 
ATOM   3517 H HB3  . ALA   B 1 114 ? -9.113  -7.436  8.631   1 26.485 ? 126 ALA   A HB3  1 c 2 
ATOM   3518 N N    . THR   B 1 115 ? -8.02   -6.745  5.782   1 27.022 ? 127 THR   A N    1 ? 2 
ATOM   3519 C CA   . THR   B 1 115 ? -8.733  -6.182  4.645   1 27.413 ? 127 THR   A CA   1 ? 2 
ATOM   3520 C C    . THR   B 1 115 ? -10.239 -6.471  4.828   1 25.704 ? 127 THR   A C    1 ? 2 
ATOM   3521 O O    . THR   B 1 115 ? -10.609 -7.571  5.174   1 28.794 ? 127 THR   A O    1 ? 2 
ATOM   3522 C CB   . THR   B 1 115 ? -8.243  -6.777  3.341   1 27.896 ? 127 THR   A CB   1 ? 2 
ATOM   3523 O OG1  . THR   B 1 115 ? -6.895  -6.336  3.19    1 31.523 ? 127 THR   A OG1  1 ? 2 
ATOM   3524 C CG2  . THR   B 1 115 ? -8.984  -6.252  2.129   1 29.985 ? 127 THR   A CG2  1 ? 2 
ATOM   3525 H H    . THR   B 1 115 ? -7.752  -7.618  5.746   1 28.483 ? 127 THR   A H    1 c 2 
ATOM   3526 H HA   . THR   B 1 115 ? -8.587  -5.214  4.627   1 26.19  ? 127 THR   A HA   1 c 2 
ATOM   3527 H HB   . THR   B 1 115 ? -8.273  -7.763  3.37    1 29.996 ? 127 THR   A HB   1 c 2 
ATOM   3528 H HG1  . THR   B 1 115 ? -6.861  -5.484  3.183   0 20     ? 127 THR   A HG1  1 c 2 
ATOM   3529 H HG21 . THR   B 1 115 ? -8.648  -6.693  1.33    1 30.697 ? 127 THR   A HG21 1 c 2 
ATOM   3530 H HG22 . THR   B 1 115 ? -8.843  -5.295  2.051   1 28.658 ? 127 THR   A HG22 1 c 2 
ATOM   3531 H HG23 . THR   B 1 115 ? -9.934  -6.434  2.221   1 28.853 ? 127 THR   A HG23 1 c 2 
ATOM   3532 N N    . LEU   B 1 116 ? -11.042 -5.445  4.594   1 24.401 ? 128 LEU   A N    1 ? 2 
ATOM   3533 C CA   . LEU   B 1 116 ? -12.508 -5.491  4.824   1 24.045 ? 128 LEU   A CA   1 ? 2 
ATOM   3534 C C    . LEU   B 1 116 ? -13.215 -5.336  3.477   1 26.905 ? 128 LEU   A C    1 ? 2 
ATOM   3535 O O    . LEU   B 1 116 ? -12.767 -4.59   2.583   1 24.641 ? 128 LEU   A O    1 ? 2 
ATOM   3536 C CB   . LEU   B 1 116 ? -13.003 -4.435  5.81    1 25.194 ? 128 LEU   A CB   1 ? 2 
ATOM   3537 C CG   . LEU   B 1 116 ? -12.929 -4.806  7.285   1 31.232 ? 128 LEU   A CG   1 ? 2 
ATOM   3538 C CD1  . LEU   B 1 116 ? -11.551 -5.04   7.684   1 33.066 ? 128 LEU   A CD1  1 ? 2 
ATOM   3539 C CD2  . LEU   B 1 116 ? -13.548 -3.688  8.121   1 29.38  ? 128 LEU   A CD2  1 ? 2 
ATOM   3540 H H    . LEU   B 1 116 ? -10.681 -4.669  4.272   1 24.202 ? 128 LEU   A H    1 c 2 
ATOM   3541 H HA   . LEU   B 1 116 ? -12.731 -6.386  5.184   1 25.446 ? 128 LEU   A HA   1 c 2 
ATOM   3542 H HB2  . LEU   B 1 116 ? -12.478 -3.614  5.669   1 25.431 ? 128 LEU   A HB2  1 c 2 
ATOM   3543 H HB3  . LEU   B 1 116 ? -13.941 -4.226  5.591   1 25.722 ? 128 LEU   A HB3  1 c 2 
ATOM   3544 H HG   . LEU   B 1 116 ? -13.449 -5.639  7.429   1 30.621 ? 128 LEU   A HG   1 c 2 
ATOM   3545 H HD11 . LEU   B 1 116 ? -11.272 -5.922  7.387   1 33.253 ? 128 LEU   A HD11 1 c 2 
ATOM   3546 H HD12 . LEU   B 1 116 ? -11.479 -4.99   8.652   1 32.51  ? 128 LEU   A HD12 1 c 2 
ATOM   3547 H HD13 . LEU   B 1 116 ? -10.975 -4.367  7.283   1 32.262 ? 128 LEU   A HD13 1 c 2 
ATOM   3548 H HD21 . LEU   B 1 116 ? -14.458 -3.523  7.821   1 29.562 ? 128 LEU   A HD21 1 c 2 
ATOM   3549 H HD22 . LEU   B 1 116 ? -13.023 -2.877  8.019   1 29.262 ? 128 LEU   A HD22 1 c 2 
ATOM   3550 H HD23 . LEU   B 1 116 ? -13.56  -3.95   9.057   1 29.858 ? 128 LEU   A HD23 1 c 2 
ATOM   3551 N N    . PHE   B 1 117 ? -14.394 -6.006  3.373   1 25.305 ? 129 PHE   A N    1 ? 2 
ATOM   3552 C CA   . PHE   B 1 117 ? -15.286 -5.86   2.256   1 27.008 ? 129 PHE   A CA   1 ? 2 
ATOM   3553 C C    . PHE   B 1 117 ? -16.652 -5.406  2.786   1 25.997 ? 129 PHE   A C    1 ? 2 
ATOM   3554 O O    . PHE   B 1 117 ? -17.181 -5.958  3.786   1 28.922 ? 129 PHE   A O    1 ? 2 
ATOM   3555 C CB   . PHE   B 1 117 ? -15.357 -7.214  1.524   1 27.748 ? 129 PHE   A CB   1 ? 2 
ATOM   3556 C CG   . PHE   B 1 117 ? -16.416 -7.143  0.438   1 30.207 ? 129 PHE   A CG   1 ? 2 
ATOM   3557 C CD1  . PHE   B 1 117 ? -17.733 -7.515  0.732   1 34.389 ? 129 PHE   A CD1  1 ? 2 
ATOM   3558 C CD2  . PHE   B 1 117 ? -16.114 -6.79   -0.871  1 31.608 ? 129 PHE   A CD2  1 ? 2 
ATOM   3559 C CE1  . PHE   B 1 117 ? -18.719 -7.415  -0.239  1 40.115 ? 129 PHE   A CE1  1 ? 2 
ATOM   3560 C CE2  . PHE   B 1 117 ? -17.101 -6.778  -1.847  1 36.594 ? 129 PHE   A CE2  1 ? 2 
ATOM   3561 C CZ   . PHE   B 1 117 ? -18.382 -7.117  -1.547  1 36.67  ? 129 PHE   A CZ   1 ? 2 
ATOM   3562 H H    . PHE   B 1 117 ? -14.634 -6.577  4.045   1 26.181 ? 129 PHE   A H    1 c 2 
ATOM   3563 H HA   . PHE   B 1 117 ? -14.927 -5.174  1.638   1 26.332 ? 129 PHE   A HA   1 c 2 
ATOM   3564 H HB2  . PHE   B 1 117 ? -14.483 -7.412  1.121   1 28.743 ? 129 PHE   A HB2  1 c 2 
ATOM   3565 H HB3  . PHE   B 1 117 ? -15.59  -7.92   2.167   1 28.593 ? 129 PHE   A HB3  1 c 2 
ATOM   3566 H HD1  . PHE   B 1 117 ? -17.969 -7.733  1.62    1 33.87  ? 129 PHE   A HD1  1 c 2 
ATOM   3567 H HD2  . PHE   B 1 117 ? -15.224 -6.579  -1.103  1 32.097 ? 129 PHE   A HD2  1 c 2 
ATOM   3568 H HE1  . PHE   B 1 117 ? -19.602 -7.669  -0.032  1 38.649 ? 129 PHE   A HE1  1 c 2 
ATOM   3569 H HE2  . PHE   B 1 117 ? -16.879 -6.528  -2.73   1 36.488 ? 129 PHE   A HE2  1 c 2 
ATOM   3570 H HZ   . PHE   B 1 117 ? -19.053 -7.068  -2.209  1 39.006 ? 129 PHE   A HZ   1 c 2 
ATOM   3571 N N    . PHE   B 1 118 ? -17.274 -4.471  2.09    1 27.905 ? 130 PHE   A N    1 ? 2 
ATOM   3572 C CA   . PHE   B 1 118 ? -18.65  -4.149  2.343   1 28.805 ? 130 PHE   A CA   1 ? 2 
ATOM   3573 C C    . PHE   B 1 118 ? -19.484 -4.044  1.073   1 31.255 ? 130 PHE   A C    1 ? 2 
ATOM   3574 O O    . PHE   B 1 118 ? -19.033 -3.539  0.039   1 28.886 ? 130 PHE   A O    1 ? 2 
ATOM   3575 C CB   . PHE   B 1 118 ? -18.767 -2.795  3.042   1 26.425 ? 130 PHE   A CB   1 ? 2 
ATOM   3576 C CG   . PHE   B 1 118 ? -18.168 -2.675  4.434   1 27.132 ? 130 PHE   A CG   1 ? 2 
ATOM   3577 C CD1  . PHE   B 1 118 ? -16.822 -2.413  4.58    1 25.558 ? 130 PHE   A CD1  1 ? 2 
ATOM   3578 C CD2  . PHE   B 1 118 ? -18.975 -2.816  5.588   1 27.14  ? 130 PHE   A CD2  1 ? 2 
ATOM   3579 C CE1  . PHE   B 1 118 ? -16.26  -2.287  5.863   1 22.704 ? 130 PHE   A CE1  1 ? 2 
ATOM   3580 C CE2  . PHE   B 1 118 ? -18.399 -2.666  6.866   1 26.179 ? 130 PHE   A CE2  1 ? 2 
ATOM   3581 C CZ   . PHE   B 1 118 ? -17.064 -2.478  6.984   1 26.328 ? 130 PHE   A CZ   1 ? 2 
ATOM   3582 H H    . PHE   B 1 118 ? -16.826 -4.016  1.436   1 27.498 ? 130 PHE   A H    1 c 2 
ATOM   3583 H HA   . PHE   B 1 118 ? -19.04  -4.847  2.928   1 29.139 ? 130 PHE   A HA   1 c 2 
ATOM   3584 H HB2  . PHE   B 1 118 ? -18.344 -2.12   2.466   1 26.737 ? 130 PHE   A HB2  1 c 2 
ATOM   3585 H HB3  . PHE   B 1 118 ? -19.721 -2.564  3.097   1 27.556 ? 130 PHE   A HB3  1 c 2 
ATOM   3586 H HD1  . PHE   B 1 118 ? -16.277 -2.324  3.815   1 25.362 ? 130 PHE   A HD1  1 c 2 
ATOM   3587 H HD2  . PHE   B 1 118 ? -19.901 -2.982  5.501   1 27.935 ? 130 PHE   A HD2  1 c 2 
ATOM   3588 H HE1  . PHE   B 1 118 ? -15.334 -2.132  5.963   1 23.633 ? 130 PHE   A HE1  1 c 2 
ATOM   3589 H HE2  . PHE   B 1 118 ? -18.929 -2.785  7.638   1 26.804 ? 130 PHE   A HE2  1 c 2 
ATOM   3590 H HZ   . PHE   B 1 118 ? -16.69  -2.369  7.843   1 24.998 ? 130 PHE   A HZ   1 c 2 
ATOM   3591 N N    . GLU   B 1 119 ? -20.752 -4.371  1.238   1 31.625 ? 131 GLU   A N    1 ? 2 
ATOM   3592 C CA   . GLU   B 1 119 ? -21.81  -3.946  0.332   1 32.722 ? 131 GLU   A CA   1 ? 2 
ATOM   3593 C C    . GLU   B 1 119 ? -22.609 -2.892  1.093   1 33.247 ? 131 GLU   A C    1 ? 2 
ATOM   3594 O O    . GLU   B 1 119 ? -23.069 -3.159  2.194   1 35.448 ? 131 GLU   A O    1 ? 2 
ATOM   3595 C CB   . GLU   B 1 119 ? -22.644 -5.151  -0.079  1 32.937 ? 131 GLU   A CB   1 ? 2 
ATOM   3596 C CG   . GLU   B 1 119 ? -23.735 -4.874  -1.124  1 38.055 ? 131 GLU   A CG   1 ? 2 
ATOM   3597 C CD   . GLU   B 1 119 ? -24.445 -6.146  -1.491  1 39.998 ? 131 GLU   A CD   1 ? 2 
ATOM   3598 O OE1  . GLU   B 1 119 ? -24.006 -6.889  -2.422  1 40.932 ? 131 GLU   A OE1  1 ? 2 
ATOM   3599 O OE2  . GLU   B 1 119 ? -25.476 -6.515  -0.857  1 42.754 ? 131 GLU   A OE2  1 ? 2 
ATOM   3600 H H    . GLU   B 1 119 ? -20.981 -4.894  1.953   1 31.832 ? 131 GLU   A H    1 c 2 
ATOM   3601 H HA   . GLU   B 1 119 ? -21.401 -3.535  -0.469  1 32.616 ? 131 GLU   A HA   1 c 2 
ATOM   3602 H HB2  . GLU   B 1 119 ? -22.042 -5.837  -0.437  1 34.515 ? 131 GLU   A HB2  1 c 2 
ATOM   3603 H HB3  . GLU   B 1 119 ? -23.071 -5.521  0.721   1 34.181 ? 131 GLU   A HB3  1 c 2 
ATOM   3604 H HG2  . GLU   B 1 119 ? -24.385 -4.237  -0.76   1 36.972 ? 131 GLU   A HG2  1 c 2 
ATOM   3605 H HG3  . GLU   B 1 119 ? -23.334 -4.486  -1.929  1 37.176 ? 131 GLU   A HG3  1 c 2 
ATOM   3606 N N    . ILE   B 1 120 ? -22.879 -1.765  0.428   1 35.006 ? 132 ILE   A N    1 ? 2 
ATOM   3607 C CA   . ILE   B 1 120 ? -23.581 -0.665  1.074   1 32.239 ? 132 ILE   A CA   1 ? 2 
ATOM   3608 C C    . ILE   B 1 120 ? -24.667 -0.154  0.15    1 34.565 ? 132 ILE   A C    1 ? 2 
ATOM   3609 O O    . ILE   B 1 120 ? -24.395 0.122   -0.997  1 34.966 ? 132 ILE   A O    1 ? 2 
ATOM   3610 C CB   . ILE   B 1 120 ? -22.589 0.476   1.379   1 30.67  ? 132 ILE   A CB   1 ? 2 
ATOM   3611 C CG1  . ILE   B 1 120 ? -21.373 -0.009  2.154   1 29.499 ? 132 ILE   A CG1  1 ? 2 
ATOM   3612 C CG2  . ILE   B 1 120 ? -23.303 1.664   2.025   1 33.743 ? 132 ILE   A CG2  1 ? 2 
ATOM   3613 C CD1  . ILE   B 1 120 ? -20.316 1.053   2.307   1 29.033 ? 132 ILE   A CD1  1 ? 2 
ATOM   3614 H H    . ILE   B 1 120 ? -22.624 -1.678  -0.445  1 34.508 ? 132 ILE   A H    1 c 2 
ATOM   3615 H HA   . ILE   B 1 120 ? -23.979 -0.976  1.908   1 32.909 ? 132 ILE   A HA   1 c 2 
ATOM   3616 H HB   . ILE   B 1 120 ? -22.255 0.79    0.515   1 31.416 ? 132 ILE   A HB   1 c 2 
ATOM   3617 H HG12 . ILE   B 1 120 ? -21.659 -0.305  3.043   1 29.499 ? 132 ILE   A HG12 1 c 2 
ATOM   3618 H HG13 . ILE   B 1 120 ? -20.982 -0.777  1.691   1 29.972 ? 132 ILE   A HG13 1 c 2 
ATOM   3619 H HG21 . ILE   B 1 120 ? -22.654 2.342   2.274   1 31.662 ? 132 ILE   A HG21 1 c 2 
ATOM   3620 H HG22 . ILE   B 1 120 ? -23.777 1.365   2.819   1 32.978 ? 132 ILE   A HG22 1 c 2 
ATOM   3621 H HG23 . ILE   B 1 120 ? -23.938 2.046   1.396   1 33.851 ? 132 ILE   A HG23 1 c 2 
ATOM   3622 H HD11 . ILE   B 1 120 ? -20.223 1.547   1.471   1 29.076 ? 132 ILE   A HD11 1 c 2 
ATOM   3623 H HD12 . ILE   B 1 120 ? -19.463 0.634   2.531   1 28.102 ? 132 ILE   A HD12 1 c 2 
ATOM   3624 H HD13 . ILE   B 1 120 ? -20.569 1.669   3.021   1 28.361 ? 132 ILE   A HD13 1 c 2 
ATOM   3625 N N    . GLU   B 1 121 ? -25.855 0.021   0.716   1 35.483 ? 133 GLU   A N    1 ? 2 
ATOM   3626 C CA   . GLU   B 1 121 ? -26.902 0.736   0.013   1 40.541 ? 133 GLU   A CA   1 ? 2 
ATOM   3627 C C    . GLU   B 1 121 ? -27.131 2.074   0.702   1 40.769 ? 133 GLU   A C    1 ? 2 
ATOM   3628 O O    . GLU   B 1 121 ? -27.413 2.101   1.878   1 37.969 ? 133 GLU   A O    1 ? 2 
ATOM   3629 C CB   . GLU   B 1 121 ? -28.159 -0.117  0.01    1 41.005 ? 133 GLU   A CB   1 ? 2 
ATOM   3630 C CG   . GLU   B 1 121 ? -29.41  0.539   -0.559  1 44.77  ? 133 GLU   A CG   1 ? 2 
ATOM   3631 C CD   . GLU   B 1 121 ? -30.715 -0.241  -0.497  1 48.213 ? 133 GLU   A CD   1 ? 2 
ATOM   3632 O OE1  . GLU   B 1 121 ? -30.744 -1.291  0.189   1 50.028 ? 133 GLU   A OE1  1 ? 2 
ATOM   3633 O OE2  . GLU   B 1 121 ? -31.726 0.143   -1.154  1 51.756 ? 133 GLU   A OE2  1 ? 2 
ATOM   3634 H H    . GLU   B 1 121 ? -26.022 -0.309  1.552   1 35.991 ? 133 GLU   A H    1 c 2 
ATOM   3635 H HA   . GLU   B 1 121 ? -26.614 0.892   -0.919  1 39.976 ? 133 GLU   A HA   1 c 2 
ATOM   3636 H HB2  . GLU   B 1 121 ? -27.98  -0.935  -0.497  1 42.487 ? 133 GLU   A HB2  1 c 2 
ATOM   3637 H HB3  . GLU   B 1 121 ? -28.353 -0.381  0.933   1 41.517 ? 133 GLU   A HB3  1 c 2 
ATOM   3638 H HG2  . GLU   B 1 121 ? -29.55  1.39    -0.095  1 43.954 ? 133 GLU   A HG2  1 c 2 
ATOM   3639 H HG3  . GLU   B 1 121 ? -29.239 0.76    -1.5    1 45.057 ? 133 GLU   A HG3  1 c 2 
ATOM   3640 N N    . LEU   B 1 122 ? -27.053 3.151   -0.067  1 40.183 ? 134 LEU   A N    1 ? 2 
ATOM   3641 C CA   . LEU   B 1 122 ? -27.291 4.485   0.484   1 39.389 ? 134 LEU   A CA   1 ? 2 
ATOM   3642 C C    . LEU   B 1 122 ? -28.79  4.679   0.376   1 42.127 ? 134 LEU   A C    1 ? 2 
ATOM   3643 O O    . LEU   B 1 122 ? -29.266 4.837   -0.724  1 44.598 ? 134 LEU   A O    1 ? 2 
ATOM   3644 C CB   . LEU   B 1 122 ? -26.49  5.591   -0.207  1 38.018 ? 134 LEU   A CB   1 ? 2 
ATOM   3645 C CG   . LEU   B 1 122 ? -26.763 7.048   0.26    1 37.053 ? 134 LEU   A CG   1 ? 2 
ATOM   3646 C CD1  . LEU   B 1 122 ? -26.62  7.143   1.776   1 35.39  ? 134 LEU   A CD1  1 ? 2 
ATOM   3647 C CD2  . LEU   B 1 122 ? -25.792 7.984   -0.463  1 38.93  ? 134 LEU   A CD2  1 ? 2 
ATOM   3648 H H    . LEU   B 1 122 ? -26.849 3.067   -0.954  1 40.745 ? 134 LEU   A H    1 c 2 
ATOM   3649 H HA   . LEU   B 1 122 ? -27.046 4.47    1.443   1 38.23  ? 134 LEU   A HA   1 c 2 
ATOM   3650 H HB2  . LEU   B 1 122 ? -25.532 5.4     -0.078  1 36.326 ? 134 LEU   A HB2  1 c 2 
ATOM   3651 H HB3  . LEU   B 1 122 ? -26.669 5.538   -1.175  1 39.041 ? 134 LEU   A HB3  1 c 2 
ATOM   3652 H HG   . LEU   B 1 122 ? -27.691 7.295   0.009   1 39.389 ? 134 LEU   A HG   1 c 2 
ATOM   3653 H HD11 . LEU   B 1 122 ? -27.396 6.742   2.201   1 36.521 ? 134 LEU   A HD11 1 c 2 
ATOM   3654 H HD12 . LEU   B 1 122 ? -26.554 8.076   2.038   1 35.551 ? 134 LEU   A HD12 1 c 2 
ATOM   3655 H HD13 . LEU   B 1 122 ? -25.818 6.671   2.057   1 34.076 ? 134 LEU   A HD13 1 c 2 
ATOM   3656 H HD21 . LEU   B 1 122 ? -25.837 7.824   -1.42   1 39.02  ? 134 LEU   A HD21 1 c 2 
ATOM   3657 H HD22 . LEU   B 1 122 ? -24.886 7.816   -0.151  1 36.597 ? 134 LEU   A HD22 1 c 2 
ATOM   3658 H HD23 . LEU   B 1 122 ? -26.03  8.907   -0.278  1 38.636 ? 134 LEU   A HD23 1 c 2 
ATOM   3659 N N    . LEU   B 1 123 ? -29.504 4.69    1.508   1 39.779 ? 135 LEU   A N    1 ? 2 
ATOM   3660 C CA   . LEU   B 1 123 ? -30.942 4.873   1.542   1 47.79  ? 135 LEU   A CA   1 ? 2 
ATOM   3661 C C    . LEU   B 1 123 ? -31.298 6.342   1.438   1 47.761 ? 135 LEU   A C    1 ? 2 
ATOM   3662 O O    . LEU   B 1 123 ? -32.186 6.713   0.679   1 52.608 ? 135 LEU   A O    1 ? 2 
ATOM   3663 C CB   . LEU   B 1 123 ? -31.451 4.287   2.852   1 45.563 ? 135 LEU   A CB   1 ? 2 
ATOM   3664 C CG   . LEU   B 1 123 ? -31.153 2.797   3.024   1 47.135 ? 135 LEU   A CG   1 ? 2 
ATOM   3665 C CD1  . LEU   B 1 123 ? -31.51  2.292   4.383   1 48.656 ? 135 LEU   A CD1  1 ? 2 
ATOM   3666 C CD2  . LEU   B 1 123 ? -31.834 2       1.904   1 47.102 ? 135 LEU   A CD2  1 ? 2 
ATOM   3667 H H    . LEU   B 1 123 ? -29.063 4.587   2.302   1 40.257 ? 135 LEU   A H    1 c 2 
ATOM   3668 H HA   . LEU   B 1 123 ? -31.345 4.387   0.779   1 47.529 ? 135 LEU   A HA   1 c 2 
ATOM   3669 H HB2  . LEU   B 1 123 ? -31.039 4.781   3.597   1 45.307 ? 135 LEU   A HB2  1 c 2 
ATOM   3670 H HB3  . LEU   B 1 123 ? -32.427 4.42    2.892   1 48.869 ? 135 LEU   A HB3  1 c 2 
ATOM   3671 H HG   . LEU   B 1 123 ? -30.176 2.671   2.918   1 44.354 ? 135 LEU   A HG   1 c 2 
ATOM   3672 H HD11 . LEU   B 1 123 ? -31.135 2.884   5.056   1 47.147 ? 135 LEU   A HD11 1 c 2 
ATOM   3673 H HD12 . LEU   B 1 123 ? -31.15  1.398   4.502   1 47.793 ? 135 LEU   A HD12 1 c 2 
ATOM   3674 H HD13 . LEU   B 1 123 ? -32.477 2.267   4.477   1 50.652 ? 135 LEU   A HD13 1 c 2 
ATOM   3675 H HD21 . LEU   B 1 123 ? -31.341 2.116   1.076   1 47.174 ? 135 LEU   A HD21 1 c 2 
ATOM   3676 H HD22 . LEU   B 1 123 ? -32.744 2.318   1.786   1 49.981 ? 135 LEU   A HD22 1 c 2 
ATOM   3677 H HD23 . LEU   B 1 123 ? -31.85  1.057   2.14    1 48.158 ? 135 LEU   A HD23 1 c 2 
ATOM   3678 N N    . ASP   B 1 124 ? -30.579 7.171   2.208   1 43.954 ? 136 ASP   A N    1 ? 2 
ATOM   3679 C CA   . ASP   B 1 124 ? -30.955 8.565   2.29    1 45.213 ? 136 ASP   A CA   1 ? 2 
ATOM   3680 C C    . ASP   B 1 124 ? -29.839 9.359   2.975   1 42.52  ? 136 ASP   A C    1 ? 2 
ATOM   3681 O O    . ASP   B 1 124 ? -29.032 8.805   3.687   1 40.902 ? 136 ASP   A O    1 ? 2 
ATOM   3682 C CB   . ASP   B 1 124 ? -32.256 8.76    3.048   1 46.801 ? 136 ASP   A CB   1 ? 2 
ATOM   3683 C CG   . ASP   B 1 124 ? -32.996 10.062  2.746   1 50.424 ? 136 ASP   A CG   1 ? 2 
ATOM   3684 O OD1  . ASP   B 1 124 ? -32.588 10.819  1.821   1 48.608 ? 136 ASP   A OD1  1 ? 2 
ATOM   3685 O OD2  . ASP   B 1 124 ? -34.049 10.269  3.379   1 57.579 ? 136 ASP   A OD2  1 ? 2 
ATOM   3686 H H    . ASP   B 1 124 ? -29.862 6.865   2.684   1 42.678 ? 136 ASP   A H    1 c 2 
ATOM   3687 H HA   . ASP   B 1 124 ? -31.068 8.909   1.375   1 45.706 ? 136 ASP   A HA   1 c 2 
ATOM   3688 H HB2  . ASP   B 1 124 ? -32.864 8.018   2.85    1 48.696 ? 136 ASP   A HB2  1 c 2 
ATOM   3689 H HB3  . ASP   B 1 124 ? -32.066 8.737   4.01    1 46.661 ? 136 ASP   A HB3  1 c 2 
ATOM   3690 N N    . PHE   B 1 125 ? -29.868 10.684  2.769   1 43.897 ? 137 PHE   A N    1 ? 2 
ATOM   3691 C CA   . PHE   B 1 125 ? -29.051 11.559  3.57    1 39.654 ? 137 PHE   A CA   1 ? 2 
ATOM   3692 C C    . PHE   B 1 125 ? -29.746 12.903  3.722   1 42.886 ? 137 PHE   A C    1 ? 2 
ATOM   3693 O O    . PHE   B 1 125 ? -30.538 13.335  2.87    1 43.981 ? 137 PHE   A O    1 ? 2 
ATOM   3694 C CB   . PHE   B 1 125 ? -27.673 11.707  2.938   1 39.558 ? 137 PHE   A CB   1 ? 2 
ATOM   3695 C CG   . PHE   B 1 125 ? -27.565 12.153  1.493   1 42.524 ? 137 PHE   A CG   1 ? 2 
ATOM   3696 C CD1  . PHE   B 1 125 ? -27.479 13.494  1.174   1 40.462 ? 137 PHE   A CD1  1 ? 2 
ATOM   3697 C CD2  . PHE   B 1 125 ? -27.604 11.235  0.448   1 46.912 ? 137 PHE   A CD2  1 ? 2 
ATOM   3698 C CE1  . PHE   B 1 125 ? -27.353 13.908  -0.15   1 44.393 ? 137 PHE   A CE1  1 ? 2 
ATOM   3699 C CE2  . PHE   B 1 125 ? -27.47  11.663  -0.865  1 48.26  ? 137 PHE   A CE2  1 ? 2 
ATOM   3700 C CZ   . PHE   B 1 125 ? -27.34  12.988  -1.172  1 46.981 ? 137 PHE   A CZ   1 ? 2 
ATOM   3701 H H    . PHE   B 1 125 ? -30.398 11.038  2.114   1 44.522 ? 137 PHE   A H    1 c 2 
ATOM   3702 H HA   . PHE   B 1 125 ? -28.946 11.153  4.468   1 40.182 ? 137 PHE   A HA   1 c 2 
ATOM   3703 H HB2  . PHE   B 1 125 ? -27.162 12.341  3.488   1 39.06  ? 137 PHE   A HB2  1 c 2 
ATOM   3704 H HB3  . PHE   B 1 125 ? -27.215 10.841  3.022   1 38.225 ? 137 PHE   A HB3  1 c 2 
ATOM   3705 H HD1  . PHE   B 1 125 ? -27.452 14.135  1.868   1 42.15  ? 137 PHE   A HD1  1 c 2 
ATOM   3706 H HD2  . PHE   B 1 125 ? -27.658 10.312  0.639   1 45.255 ? 137 PHE   A HD2  1 c 2 
ATOM   3707 H HE1  . PHE   B 1 125 ? -27.274 14.828  -0.347  1 45.101 ? 137 PHE   A HE1  1 c 2 
ATOM   3708 H HE2  . PHE   B 1 125 ? -27.479 11.025  -1.561  1 47.756 ? 137 PHE   A HE2  1 c 2 
ATOM   3709 H HZ   . PHE   B 1 125 ? -27.287 13.27   -2.071  1 47.686 ? 137 PHE   A HZ   1 c 2 
ATOM   3710 N N    . LYS   B 1 126 ? -29.533 13.512  4.879   1 42.358 ? 138 LYS   A N    1 ? 2 
ATOM   3711 C CA   . LYS   B 1 126 ? -30.219 14.757  5.188   1 48.901 ? 138 LYS   A CA   1 ? 2 
ATOM   3712 C C    . LYS   B 1 126 ? -29.182 15.686  5.836   1 46.22  ? 138 LYS   A C    1 ? 2 
ATOM   3713 O O    . LYS   B 1 126 ? -28.331 15.26   6.58    1 45.609 ? 138 LYS   A O    1 ? 2 
ATOM   3714 C CB   . LYS   B 1 126 ? -31.48  14.516  6.028   1 49.99  ? 138 LYS   A CB   1 ? 2 
ATOM   3715 H H    . LYS   B 1 126 ? -28.954 13.155  5.49    1 41.976 ? 138 LYS   A H    1 c 2 
ATOM   3716 H HA   . LYS   B 1 126 ? -30.504 15.172  4.335   1 48.409 ? 138 LYS   A HA   1 c 2 
ATOM   3717 H HB2  . LYS   B 1 126 ? -31.194 14.214  6.937   0 20     ? 138 LYS   A HB2  1 c 2 
ATOM   3718 H HB3  . LYS   B 1 126 ? -32.259 14.665  5.483   0 20     ? 138 LYS   A HB3  1 c 2 
ATOM   3719 N N    . GLY   B 1 127 ? -29.297 17.003  5.619   1 51.959 ? 139 GLY   A N    1 ? 2 
ATOM   3720 C CA   . GLY   B 1 127 ? -28.409 17.953  6.29    1 54.199 ? 139 GLY   A CA   1 ? 2 
ATOM   3721 C C    . GLY   B 1 127 ? -28.636 17.985  7.804   1 58.85  ? 139 GLY   A C    1 ? 2 
ATOM   3722 O O    . GLY   B 1 127 ? -29.701 17.601  8.291   1 60.828 ? 139 GLY   A O    1 ? 2 
ATOM   3723 H H    . GLY   B 1 127 ? -29.936 17.318  5.046   1 52.872 ? 139 GLY   A H    1 c 2 
ATOM   3724 H HA2  . GLY   B 1 127 ? -27.475 17.706  6.103   1 52.406 ? 139 GLY   A HA2  1 c 2 
ATOM   3725 H HA3  . GLY   B 1 127 ? -28.565 18.847  5.917   1 55.799 ? 139 GLY   A HA3  1 c 2 
ATOM   3726 N N    . GLU   B 1 128 ? -27.577 18.324  8.539   1 66.634 ? 140 GLU   A N    1 ? 2 
ATOM   3727 C CA   . GLU   B 1 128 ? -27.638 18.447  9.985   1 72.398 ? 140 GLU   A CA   1 ? 2 
ATOM   3728 C C    . GLU   B 1 128 ? -28.578 19.618  10.335  1 74.084 ? 140 GLU   A C    1 ? 2 
ATOM   3729 O O    . GLU   B 1 128 ? -28.986 19.674  11.499  1 82.314 ? 140 GLU   A O    1 ? 2 
ATOM   3730 C CB   . GLU   B 1 128 ? -26.22  18.54   10.564  1 70.373 ? 140 GLU   A CB   1 ? 2 
ATOM   3731 O OXT  . GLU   B 1 128 ? -28.913 20.424  9.431   1 78.266 ? 140 GLU   A OXT  1 ? 2 
ATOM   3732 H H    . GLU   B 1 128 ? -26.782 18.491  8.118   1 63.932 ? 140 GLU   A H    1 c 2 
ATOM   3733 H HA   . GLU   B 1 128 ? -28.045 17.616  10.34   1 70.577 ? 140 GLU   A HA   1 c 2 
ATOM   3734 H HB2  . GLU   B 1 128 ? -25.544 18.381  9.815   0 20     ? 140 GLU   A HB2  1 c 2 
ATOM   3735 H HB3  . GLU   B 1 128 ? -26.258 18.59   11.516  0 20     ? 140 GLU   A HB3  1 c 2 
HETATM 3736 C C4   . A1INT C 2 .   ? -5.265  14.934  18.416  1 35.361 ? 201 A1INT B C4   1 ? 1 
HETATM 3737 C C14  . A1INT C 2 .   ? -6.861  19.436  16.983  1 49.337 ? 201 A1INT B C14  1 ? 1 
HETATM 3738 C C5   . A1INT C 2 .   ? -4.517  15.94   17.821  1 33.582 ? 201 A1INT B C5   1 ? 1 
HETATM 3739 C C6   . A1INT C 2 .   ? -4.603  16.204  16.481  1 40.676 ? 201 A1INT B C6   1 ? 1 
HETATM 3740 C C11  . A1INT C 2 .   ? -3.457  20.526  16.811  1 54.736 ? 201 A1INT B C11  1 ? 1 
HETATM 3741 C C7   . A1INT C 2 .   ? -5.382  15.432  15.656  1 38.094 ? 201 A1INT B C7   1 ? 1 
HETATM 3742 C C8   . A1INT C 2 .   ? -6.249  16.827  14.004  1 45.562 ? 201 A1INT B C8   1 ? 1 
HETATM 3743 C C9   . A1INT C 2 .   ? -3.018  18.007  16.735  1 50.425 ? 201 A1INT B C9   1 ? 1 
HETATM 3744 C C10  . A1INT C 2 .   ? -2.644  19.355  16.111  1 52.725 ? 201 A1INT B C10  1 ? 1 
HETATM 3745 C C12  . A1INT C 2 .   ? -3.174  22.011  16.51   1 56.865 ? 201 A1INT B C12  1 ? 1 
HETATM 3746 C C13  . A1INT C 2 .   ? -5.682  19.745  17.581  1 48.649 ? 201 A1INT B C13  1 ? 1 
HETATM 3747 N N1   . A1INT C 2 .   ? -4.886  20.206  16.606  1 48.463 ? 201 A1INT B N1   1 ? 1 
HETATM 3748 N N2   . A1INT C 2 .   ? -6.726  19.657  15.649  1 54.617 ? 201 A1INT B N2   1 ? 1 
HETATM 3749 C C3   . A1INT C 2 .   ? -6.047  14.144  17.58   1 35.76  ? 201 A1INT B C3   1 ? 1 
HETATM 3750 N N3   . A1INT C 2 .   ? -5.507  20.125  15.399  1 50.08  ? 201 A1INT B N3   1 ? 1 
HETATM 3751 C C1   . A1INT C 2 .   ? -7.64   12.641  15.902  1 35.488 ? 201 A1INT B C1   1 ? 1 
HETATM 3752 O O1   . A1INT C 2 .   ? -6.918  13.73   15.336  1 37.78  ? 201 A1INT B O1   1 ? 1 
HETATM 3753 C C2   . A1INT C 2 .   ? -6.108  14.382  16.214  1 34.516 ? 201 A1INT B C2   1 ? 1 
HETATM 3754 O O2   . A1INT C 2 .   ? -5.489  15.672  14.301  1 42.593 ? 201 A1INT B O2   1 ? 1 
HETATM 3755 O O3   . A1INT C 2 .   ? -3.904  17.233  15.896  1 45.956 ? 201 A1INT B O3   1 ? 1 
HETATM 3756 C C15  . A1INT C 2 .   ? -8.099  18.892  17.639  1 40.052 ? 201 A1INT B C15  1 ? 1 
HETATM 3757 C C16  . A1INT C 2 .   ? -8.568  17.571  17.024  1 40.324 ? 201 A1INT B C16  1 ? 1 
HETATM 3758 C C17  . A1INT C 2 .   ? -9.333  16.656  17.943  1 34.369 ? 201 A1INT B C17  1 ? 1 
HETATM 3759 O O4   . A1INT C 2 .   ? -8.629  16.467  19.212  1 31.382 ? 201 A1INT B O4   1 ? 1 
HETATM 3760 C C18  . A1INT C 2 .   ? -9.321  16.284  20.342  1 33.041 ? 201 A1INT B C18  1 ? 1 
HETATM 3761 O O5   . A1INT C 2 .   ? -10.511 16.326  20.388  1 29.957 ? 201 A1INT B O5   1 ? 1 
HETATM 3762 C C19  . A1INT C 2 .   ? -8.412  15.951  21.503  1 27.832 ? 201 A1INT B C19  1 ? 1 
HETATM 3763 C C20  . A1INT C 2 .   ? -8.548  17.001  22.619  1 29.89  ? 201 A1INT B C20  1 ? 1 
HETATM 3764 C C21  . A1INT C 2 .   ? -8.063  18.362  22.171  1 30.152 ? 201 A1INT B C21  1 ? 1 
HETATM 3765 C C22  . A1INT C 2 .   ? -6.555  18.221  21.884  1 35.164 ? 201 A1INT B C22  1 ? 1 
HETATM 3766 C C23  . A1INT C 2 .   ? -6.342  17.222  20.747  1 31.599 ? 201 A1INT B C23  1 ? 1 
HETATM 3767 N N4   . A1INT C 2 .   ? -6.989  15.855  21.036  1 28.966 ? 201 A1INT B N4   1 ? 1 
HETATM 3768 C C24  . A1INT C 2 .   ? -6.523  14.676  20.592  1 32.225 ? 201 A1INT B C24  1 ? 1 
HETATM 3769 O O6   . A1INT C 2 .   ? -7.295  13.679  20.589  1 29.207 ? 201 A1INT B O6   1 ? 1 
HETATM 3770 C C25  . A1INT C 2 .   ? -5.122  14.59   19.893  1 30.693 ? 201 A1INT B C25  1 ? 1 
HETATM 3771 C C26  . A1INT C 2 .   ? -4.501  13.186  20.229  1 32.071 ? 201 A1INT B C26  1 ? 1 
HETATM 3772 C C27  . A1INT C 2 .   ? -4.224  12.976  21.73   1 28.76  ? 201 A1INT B C27  1 ? 1 
HETATM 3773 C C28  . A1INT C 2 .   ? -3.692  11.597  22.018  1 31.218 ? 201 A1INT B C28  1 ? 1 
HETATM 3774 C C29  . A1INT C 2 .   ? -2.398  11.33   21.253  1 35.248 ? 201 A1INT B C29  1 ? 1 
HETATM 3775 C C30  . A1INT C 2 .   ? -2.531  11.625  19.834  1 38.22  ? 201 A1INT B C30  1 ? 1 
HETATM 3776 C C31  . A1INT C 2 .   ? -3.185  12.974  19.464  1 36.14  ? 201 A1INT B C31  1 ? 1 
HETATM 3777 H H5   . A1INT C 2 .   ? -3.959  16.47   18.367  1 36.037 ? 201 A1INT B H5   1 c 1 
HETATM 3778 H H13  . A1INT C 2 .   ? -3.295  20.414  17.781  1 51.863 ? 201 A1INT B H13  1 c 1 
HETATM 3779 H H7   . A1INT C 2 .   ? -6.489  16.82   13.063  1 46.22  ? 201 A1INT B H7   1 c 1 
HETATM 3780 H H8   . A1INT C 2 .   ? -5.724  17.62   14.196  1 45.601 ? 201 A1INT B H8   1 c 1 
HETATM 3781 H H6   . A1INT C 2 .   ? -7.056  16.833  14.543  1 43.115 ? 201 A1INT B H6   1 c 1 
HETATM 3782 H H9   . A1INT C 2 .   ? -2.199  17.488  16.899  1 49.79  ? 201 A1INT B H9   1 c 1 
HETATM 3783 H H10  . A1INT C 2 .   ? -3.446  18.166  17.603  1 47.492 ? 201 A1INT B H10  1 c 1 
HETATM 3784 H H11  . A1INT C 2 .   ? -2.853  19.343  15.153  1 54.652 ? 201 A1INT B H11  1 c 1 
HETATM 3785 H H12  . A1INT C 2 .   ? -1.684  19.514  16.225  1 54.77  ? 201 A1INT B H12  1 c 1 
HETATM 3786 H H15  . A1INT C 2 .   ? -3.303  22.18   15.562  1 58.513 ? 201 A1INT B H15  1 c 1 
HETATM 3787 H H16  . A1INT C 2 .   ? -2.257  22.222  16.754  1 58.111 ? 201 A1INT B H16  1 c 1 
HETATM 3788 H H14  . A1INT C 2 .   ? -3.782  22.568  17.024  1 56.167 ? 201 A1INT B H14  1 c 1 
HETATM 3789 H H17  . A1INT C 2 .   ? -5.461  19.658  18.492  1 47.138 ? 201 A1INT B H17  1 c 1 
HETATM 3790 H H4   . A1INT C 2 .   ? -6.54   13.432  17.957  1 33.645 ? 201 A1INT B H4   1 c 1 
HETATM 3791 H H2   . A1INT C 2 .   ? -8.147  12.196  15.203  1 36.218 ? 201 A1INT B H2   1 c 1 
HETATM 3792 H H3   . A1INT C 2 .   ? -8.251  12.973  16.579  1 34.232 ? 201 A1INT B H3   1 c 1 
HETATM 3793 H H1   . A1INT C 2 .   ? -7.02   12.009  16.301  1 35.404 ? 201 A1INT B H1   1 c 1 
HETATM 3794 H H19  . A1INT C 2 .   ? -7.923  18.762  18.586  1 40.395 ? 201 A1INT B H19  1 c 1 
HETATM 3795 H H18  . A1INT C 2 .   ? -8.813  19.551  17.555  1 41.983 ? 201 A1INT B H18  1 c 1 
HETATM 3796 H H21  . A1INT C 2 .   ? -9.13   17.775  16.255  1 40.18  ? 201 A1INT B H21  1 c 1 
HETATM 3797 H H20  . A1INT C 2 .   ? -7.785  17.092  16.698  1 39.919 ? 201 A1INT B H20  1 c 1 
HETATM 3798 H H23  . A1INT C 2 .   ? -10.217 17.043  18.106  1 34.349 ? 201 A1INT B H23  1 c 1 
HETATM 3799 H H22  . A1INT C 2 .   ? -9.46   15.789  17.504  1 34.657 ? 201 A1INT B H22  1 c 1 
HETATM 3800 H H24  . A1INT C 2 .   ? -8.68   15.064  21.864  1 28     ? 201 A1INT B H24  1 c 1 
HETATM 3801 H H26  . A1INT C 2 .   ? -9.495  17.066  22.894  1 28.301 ? 201 A1INT B H26  1 c 1 
HETATM 3802 H H25  . A1INT C 2 .   ? -8.023  16.71   23.402  1 28.515 ? 201 A1INT B H25  1 c 1 
HETATM 3803 H H27  . A1INT C 2 .   ? -8.215  19.03   22.878  1 31.173 ? 201 A1INT B H27  1 c 1 
HETATM 3804 H H28  . A1INT C 2 .   ? -8.54   18.649  21.358  1 31.969 ? 201 A1INT B H28  1 c 1 
HETATM 3805 H H29  . A1INT C 2 .   ? -6.092  17.908  22.69   1 32.748 ? 201 A1INT B H29  1 c 1 
HETATM 3806 H H30  . A1INT C 2 .   ? -6.183  19.093  21.631  1 34.625 ? 201 A1INT B H30  1 c 1 
HETATM 3807 H H31  . A1INT C 2 .   ? -5.377  17.101  20.608  1 33.21  ? 201 A1INT B H31  1 c 1 
HETATM 3808 H H32  . A1INT C 2 .   ? -6.72   17.591  19.918  1 33.126 ? 201 A1INT B H32  1 c 1 
HETATM 3809 H H33  . A1INT C 2 .   ? -4.544  15.288  20.296  1 32.623 ? 201 A1INT B H33  1 c 1 
HETATM 3810 H H34  . A1INT C 2 .   ? -5.14   12.486  19.936  1 31.161 ? 201 A1INT B H34  1 c 1 
HETATM 3811 H H36  . A1INT C 2 .   ? -3.573  13.642  22.034  1 30.409 ? 201 A1INT B H36  1 c 1 
HETATM 3812 H H35  . A1INT C 2 .   ? -5.051  13.112  22.235  1 28.402 ? 201 A1INT B H35  1 c 1 
HETATM 3813 H H37  . A1INT C 2 .   ? -4.365  10.929  21.763  1 30.399 ? 201 A1INT B H37  1 c 1 
HETATM 3814 H H38  . A1INT C 2 .   ? -3.524  11.507  22.983  1 30.387 ? 201 A1INT B H38  1 c 1 
HETATM 3815 H H39  . A1INT C 2 .   ? -2.145  10.388  21.364  1 35.496 ? 201 A1INT B H39  1 c 1 
HETATM 3816 H H40  . A1INT C 2 .   ? -1.679  11.882  21.631  1 35.958 ? 201 A1INT B H40  1 c 1 
HETATM 3817 H H41  . A1INT C 2 .   ? -3.056  10.906  19.419  1 37.126 ? 201 A1INT B H41  1 c 1 
HETATM 3818 H H42  . A1INT C 2 .   ? -1.635  11.598  19.43   1 39.172 ? 201 A1INT B H42  1 c 1 
HETATM 3819 H H44  . A1INT C 2 .   ? -2.567  13.703  19.673  1 36.969 ? 201 A1INT B H44  1 c 1 
HETATM 3820 H H43  . A1INT C 2 .   ? -3.36   12.994  18.501  1 37.109 ? 201 A1INT B H43  1 c 1 
HETATM 3821 C C4   . A1INT D 2 .   ? -18.116 -3.458  12.879  1 25.627 ? 201 A1INT A C4   1 ? 2 
HETATM 3822 C C14  . A1INT D 2 .   ? -21.2   -0.135  14.667  1 33.957 ? 201 A1INT A C14  1 ? 2 
HETATM 3823 C C5   . A1INT D 2 .   ? -19.35  -3.682  13.459  1 26.98  ? 201 A1INT A C5   1 ? 2 
HETATM 3824 C C6   . A1INT D 2 .   ? -19.507 -3.515  14.814  1 29.712 ? 201 A1INT A C6   1 ? 2 
HETATM 3825 C C11  . A1INT D 2 .   ? -23.774 -2.663  14.97   1 36.445 ? 201 A1INT A C11  1 ? 2 
HETATM 3826 C C7   . A1INT D 2 .   ? -18.4   -3.256  15.615  1 28.88  ? 201 A1INT A C7   1 ? 2 
HETATM 3827 C C8   . A1INT D 2 .   ? -18.903 -2.047  17.561  1 33.022 ? 201 A1INT A C8   1 ? 2 
HETATM 3828 C C9   . A1INT D 2 .   ? -21.799 -4.255  14.845  1 37.05  ? 201 A1INT A C9   1 ? 2 
HETATM 3829 C C10  . A1INT D 2 .   ? -23.079 -3.879  15.552  1 35.914 ? 201 A1INT A C10  1 ? 2 
HETATM 3830 C C12  . A1INT D 2 .   ? -25.095 -2.287  15.624  1 42.117 ? 201 A1INT A C12  1 ? 2 
HETATM 3831 C C13  . A1INT D 2 .   ? -22.062 -1.018  14.055  1 33.666 ? 201 A1INT A C13  1 ? 2 
HETATM 3832 N N1   . A1INT D 2 .   ? -22.799 -1.549  15.029  1 36.08  ? 201 A1INT A N1   1 ? 2 
HETATM 3833 N N2   . A1INT D 2 .   ? -21.461 -0.182  15.998  1 37.151 ? 201 A1INT A N2   1 ? 2 
HETATM 3834 C C3   . A1INT D 2 .   ? -16.995 -3.2    13.664  1 24.075 ? 201 A1INT A C3   1 ? 2 
HETATM 3835 N N3   . A1INT D 2 .   ? -22.424 -1.067  16.235  1 37.733 ? 201 A1INT A N3   1 ? 2 
HETATM 3836 C C1   . A1INT D 2 .   ? -14.869 -2.527  15.478  1 26.832 ? 201 A1INT A C1   1 ? 2 
HETATM 3837 O O1   . A1INT D 2 .   ? -16.166 -2.875  15.971  1 29.918 ? 201 A1INT A O1   1 ? 2 
HETATM 3838 C C2   . A1INT D 2 .   ? -17.152 -3.035  15.049  1 29.09  ? 201 A1INT A C2   1 ? 2 
HETATM 3839 O O2   . A1INT D 2 .   ? -18.55  -3.324  17.008  1 33.115 ? 201 A1INT A O2   1 ? 2 
HETATM 3840 O O3   . A1INT D 2 .   ? -20.656 -3.706  15.536  1 32.061 ? 201 A1INT A O3   1 ? 2 
HETATM 3841 C C15  . A1INT D 2 .   ? -20.189 0.829   14.112  1 30.445 ? 201 A1INT A C15  1 ? 2 
HETATM 3842 C C16  . A1INT D 2 .   ? -18.794 0.492   14.598  1 29.395 ? 201 A1INT A C16  1 ? 2 
HETATM 3843 C C17  . A1INT D 2 .   ? -17.699 0.969   13.671  1 28.585 ? 201 A1INT A C17  1 ? 2 
HETATM 3844 O O4   . A1INT D 2 .   ? -17.774 0.253   12.382  1 25.343 ? 201 A1INT A O4   1 ? 2 
HETATM 3845 C C18  . A1INT D 2 .   ? -17.231 0.834   11.319  1 25.314 ? 201 A1INT A C18  1 ? 2 
HETATM 3846 O O5   . A1INT D 2 .   ? -16.672 1.889   11.346  1 23.271 ? 201 A1INT A O5   1 ? 2 
HETATM 3847 C C19  . A1INT D 2 .   ? -17.477 -0.044  10.082  1 22.798 ? 201 A1INT A C19  1 ? 2 
HETATM 3848 C C20  . A1INT D 2 .   ? -18.335 0.786   9.134   1 25.566 ? 201 A1INT A C20  1 ? 2 
HETATM 3849 C C21  . A1INT D 2 .   ? -19.766 0.927   9.589   1 24.87  ? 201 A1INT A C21  1 ? 2 
HETATM 3850 C C22  . A1INT D 2 .   ? -20.384 -0.464  9.79    1 24.3   ? 201 A1INT A C22  1 ? 2 
HETATM 3851 C C23  . A1INT D 2 .   ? -19.59  -1.318  10.745  1 24.861 ? 201 A1INT A C23  1 ? 2 
HETATM 3852 N N4   . A1INT D 2 .   ? -18.113 -1.327  10.464  1 23.839 ? 201 A1INT A N4   1 ? 2 
HETATM 3853 C C24  . A1INT D 2 .   ? -17.326 -2.366  10.811  1 24.72  ? 201 A1INT A C24  1 ? 2 
HETATM 3854 O O6   . A1INT D 2 .   ? -16.123 -2.248  10.71   1 24.978 ? 201 A1INT A O6   1 ? 2 
HETATM 3855 C C25  . A1INT D 2 .   ? -17.937 -3.625  11.357  1 24.165 ? 201 A1INT A C25  1 ? 2 
HETATM 3856 C C26  . A1INT D 2 .   ? -17.108 -4.9    11.031  1 24.759 ? 201 A1INT A C26  1 ? 2 
HETATM 3857 C C27  . A1INT D 2 .   ? -17.067 -5.148  9.514   1 25.451 ? 201 A1INT A C27  1 ? 2 
HETATM 3858 C C28  . A1INT D 2 .   ? -16.323 -6.408  9.168   1 27.436 ? 201 A1INT A C28  1 ? 2 
HETATM 3859 C C29  . A1INT D 2 .   ? -16.819 -7.654  9.806   1 27.803 ? 201 A1INT A C29  1 ? 2 
HETATM 3860 C C30  . A1INT D 2 .   ? -16.713 -7.428  11.314  1 30.921 ? 201 A1INT A C30  1 ? 2 
HETATM 3861 C C31  . A1INT D 2 .   ? -17.535 -6.174  11.707  1 26.908 ? 201 A1INT A C31  1 ? 2 
HETATM 3862 H H5   . A1INT D 2 .   ? -20.1   -3.836  12.91   1 27.775 ? 201 A1INT A H5   1 c 2 
HETATM 3863 H H13  . A1INT D 2 .   ? -23.952 -2.854  14.016  1 36.595 ? 201 A1INT A H13  1 c 2 
HETATM 3864 H H7   . A1INT D 2 .   ? -18.922 -2.11   18.53   1 34.585 ? 201 A1INT A H7   1 c 2 
HETATM 3865 H H8   . A1INT D 2 .   ? -19.78  -1.787  17.237  1 33.38  ? 201 A1INT A H8   1 c 2 
HETATM 3866 H H6   . A1INT D 2 .   ? -18.247 -1.384  17.292  1 32.224 ? 201 A1INT A H6   1 c 2 
HETATM 3867 H H9   . A1INT D 2 .   ? -21.719 -5.234  14.805  1 35.784 ? 201 A1INT A H9   1 c 2 
HETATM 3868 H H10  . A1INT D 2 .   ? -21.827 -3.916  13.924  1 34.193 ? 201 A1INT A H10  1 c 2 
HETATM 3869 H H11  . A1INT D 2 .   ? -22.881 -3.705  16.496  1 37.483 ? 201 A1INT A H11  1 c 2 
HETATM 3870 H H12  . A1INT D 2 .   ? -23.696 -4.639  15.514  1 38.089 ? 201 A1INT A H12  1 c 2 
HETATM 3871 H H15  . A1INT D 2 .   ? -24.956 -2.139  16.575  1 41.939 ? 201 A1INT A H15  1 c 2 
HETATM 3872 H H16  . A1INT D 2 .   ? -25.736 -3.008  15.5    1 42.385 ? 201 A1INT A H16  1 c 2 
HETATM 3873 H H14  . A1INT D 2 .   ? -25.44  -1.474  15.217  1 40.882 ? 201 A1INT A H14  1 c 2 
HETATM 3874 H H17  . A1INT D 2 .   ? -22.116 -1.223  13.137  1 33.311 ? 201 A1INT A H17  1 c 2 
HETATM 3875 H H4   . A1INT D 2 .   ? -16.15  -3.081  13.258  1 24.572 ? 201 A1INT A H4   1 c 2 
HETATM 3876 H H2   . A1INT D 2 .   ? -14.275 -2.355  16.227  1 28.132 ? 201 A1INT A H2   1 c 2 
HETATM 3877 H H3   . A1INT D 2 .   ? -14.934 -1.729  14.929  1 26.663 ? 201 A1INT A H3   1 c 2 
HETATM 3878 H H1   . A1INT D 2 .   ? -14.516 -3.259  14.947  1 27.124 ? 201 A1INT A H1   1 c 2 
HETATM 3879 H H19  . A1INT D 2 .   ? -20.212 0.795   13.138  1 29.878 ? 201 A1INT A H19  1 c 2 
HETATM 3880 H H18  . A1INT D 2 .   ? -20.419 1.734   14.392  1 31.174 ? 201 A1INT A H18  1 c 2 
HETATM 3881 H H21  . A1INT D 2 .   ? -18.663 0.896   15.474  1 30.505 ? 201 A1INT A H21  1 c 2 
HETATM 3882 H H20  . A1INT D 2 .   ? -18.722 -0.475  14.697  1 29.874 ? 201 A1INT A H20  1 c 2 
HETATM 3883 H H23  . A1INT D 2 .   ? -17.803 1.932   13.526  1 27.761 ? 201 A1INT A H23  1 c 2 
HETATM 3884 H H22  . A1INT D 2 .   ? -16.825 0.816   14.085  1 27.852 ? 201 A1INT A H22  1 c 2 
HETATM 3885 H H24  . A1INT D 2 .   ? -16.604 -0.238  9.649   1 23.261 ? 201 A1INT A H24  1 c 2 
HETATM 3886 H H26  . A1INT D 2 .   ? -17.938 1.686   9.04    1 24.136 ? 201 A1INT A H26  1 c 2 
HETATM 3887 H H25  . A1INT D 2 .   ? -18.324 0.362   8.244   1 24.368 ? 201 A1INT A H25  1 c 2 
HETATM 3888 H H27  . A1INT D 2 .   ? -20.282 1.424   8.914   1 25.043 ? 201 A1INT A H27  1 c 2 
HETATM 3889 H H28  . A1INT D 2 .   ? -19.801 1.432   10.434  1 25.208 ? 201 A1INT A H28  1 c 2 
HETATM 3890 H H29  . A1INT D 2 .   ? -20.44  -0.921  8.924   1 24.721 ? 201 A1INT A H29  1 c 2 
HETATM 3891 H H30  . A1INT D 2 .   ? -21.297 -0.365  10.133  1 25.69  ? 201 A1INT A H30  1 c 2 
HETATM 3892 H H31  . A1INT D 2 .   ? -19.933 -2.238  10.698  1 25.407 ? 201 A1INT A H31  1 c 2 
HETATM 3893 H H32  . A1INT D 2 .   ? -19.739 -0.994  11.662  1 25.251 ? 201 A1INT A H32  1 c 2 
HETATM 3894 H H33  . A1INT D 2 .   ? -18.839 -3.73   10.96   1 25.14  ? 201 A1INT A H33  1 c 2 
HETATM 3895 H H34  . A1INT D 2 .   ? -16.175 -4.722  11.321  1 24.603 ? 201 A1INT A H34  1 c 2 
HETATM 3896 H H36  . A1INT D 2 .   ? -17.982 -5.209  9.172   1 26.016 ? 201 A1INT A H36  1 c 2 
HETATM 3897 H H35  . A1INT D 2 .   ? -16.632 -4.389  9.074   1 24.728 ? 201 A1INT A H35  1 c 2 
HETATM 3898 H H37  . A1INT D 2 .   ? -15.379 -6.288  9.414   1 26.484 ? 201 A1INT A H37  1 c 2 
HETATM 3899 H H38  . A1INT D 2 .   ? -16.355 -6.528  8.192   1 26.943 ? 201 A1INT A H38  1 c 2 
HETATM 3900 H H39  . A1INT D 2 .   ? -16.267 -8.42   9.536   1 29.214 ? 201 A1INT A H39  1 c 2 
HETATM 3901 H H40  . A1INT D 2 .   ? -17.751 -7.823  9.55    1 29.346 ? 201 A1INT A H40  1 c 2 
HETATM 3902 H H41  . A1INT D 2 .   ? -15.773 -7.303  11.564  1 29.052 ? 201 A1INT A H41  1 c 2 
HETATM 3903 H H42  . A1INT D 2 .   ? -17.059 -8.214  11.792  1 30.557 ? 201 A1INT A H42  1 c 2 
HETATM 3904 H H44  . A1INT D 2 .   ? -18.477 -6.339  11.497  1 28.12  ? 201 A1INT A H44  1 c 2 
HETATM 3905 H H43  . A1INT D 2 .   ? -17.47  -6.053  12.677  1 27.836 ? 201 A1INT A H43  1 c 2 
HETATM 3906 O O    . HOH   E 3 .   ? -18.014 30.198  31.546  1 49.773 ? 301 HOH   B O    1 ? ? 
HETATM 3907 O O    . HOH   E 3 .   ? -22.111 29.627  28.088  1 37.052 ? 302 HOH   B O    1 ? ? 
HETATM 3908 O O    . HOH   E 3 .   ? -11.814 22.192  39.378  1 34.782 ? 303 HOH   B O    1 ? ? 
HETATM 3909 O O    . HOH   E 3 .   ? -8.762  24.067  40.622  1 37.841 ? 304 HOH   B O    1 ? ? 
HETATM 3910 O O    . HOH   E 3 .   ? -14.764 0.393   34.161  1 42.56  ? 305 HOH   B O    1 ? ? 
HETATM 3911 O O    . HOH   E 3 .   ? -17.257 15.879  20.339  1 52.099 ? 306 HOH   B O    1 ? ? 
HETATM 3912 O O    . HOH   E 3 .   ? 3.946   19.072  32.835  1 39.603 ? 307 HOH   B O    1 ? ? 
HETATM 3913 O O    . HOH   E 3 .   ? -18.581 0.968   19.184  1 40.236 ? 308 HOH   B O    1 ? ? 
HETATM 3914 O O    . HOH   E 3 .   ? -24.528 11.095  37.959  1 39.933 ? 309 HOH   B O    1 ? ? 
HETATM 3915 O O    . HOH   E 3 .   ? -13.554 27.124  42.336  1 61.164 ? 310 HOH   B O    1 ? ? 
HETATM 3916 O O    . HOH   E 3 .   ? -14.556 1.028   27.44   1 30.636 ? 311 HOH   B O    1 ? ? 
HETATM 3917 O O    . HOH   E 3 .   ? -6.126  26.985  18.954  1 48.718 ? 312 HOH   B O    1 ? ? 
HETATM 3918 O O    . HOH   E 3 .   ? -17.538 5.583   39.303  1 26.875 ? 313 HOH   B O    1 ? ? 
HETATM 3919 O O    . HOH   E 3 .   ? -15.578 22.377  39.335  1 55.688 ? 314 HOH   B O    1 ? ? 
HETATM 3920 O O    . HOH   E 3 .   ? -8.979  9.715   10.905  1 34.753 ? 315 HOH   B O    1 ? ? 
HETATM 3921 O O    . HOH   E 3 .   ? -9.997  2.436   29.605  1 29.564 ? 316 HOH   B O    1 ? ? 
HETATM 3922 O O    . HOH   E 3 .   ? -8.831  1.06    25.65   1 38.418 ? 317 HOH   B O    1 ? ? 
HETATM 3923 O O    . HOH   E 3 .   ? -15.928 11.985  21.698  1 28.019 ? 318 HOH   B O    1 ? ? 
HETATM 3924 O O    . HOH   E 3 .   ? -10.354 5.95    40.436  1 30.358 ? 319 HOH   B O    1 ? ? 
HETATM 3925 O O    . HOH   E 3 .   ? -9.499  2.308   12.991  1 30.6   ? 320 HOH   B O    1 ? ? 
HETATM 3926 O O    . HOH   E 3 .   ? -12.419 18.459  39.923  1 33.923 ? 321 HOH   B O    1 ? ? 
HETATM 3927 O O    . HOH   E 3 .   ? -16.376 21.568  21.608  1 55.202 ? 322 HOH   B O    1 ? ? 
HETATM 3928 O O    . HOH   E 3 .   ? -11.359 6.454   32.118  1 24.333 ? 323 HOH   B O    1 ? ? 
HETATM 3929 O O    . HOH   E 3 .   ? -18.906 16.4    35.268  1 38.561 ? 324 HOH   B O    1 ? ? 
HETATM 3930 O O    . HOH   E 3 .   ? -21.898 9.965   31.166  1 26.998 ? 325 HOH   B O    1 ? ? 
HETATM 3931 O O    . HOH   E 3 .   ? -19.252 24.408  34.348  1 48.546 ? 326 HOH   B O    1 ? ? 
HETATM 3932 O O    . HOH   E 3 .   ? -5.443  10.708  12.84   1 39.993 ? 327 HOH   B O    1 ? ? 
HETATM 3933 O O    . HOH   E 3 .   ? -10.553 4.924   19.558  1 24.986 ? 328 HOH   B O    1 ? ? 
HETATM 3934 O O    . HOH   E 3 .   ? -10.425 6.739   21.627  1 25.312 ? 329 HOH   B O    1 ? ? 
HETATM 3935 O O    . HOH   E 3 .   ? -8.753  15.741  42.01   1 41.431 ? 330 HOH   B O    1 ? ? 
HETATM 3936 O O    . HOH   E 3 .   ? -11.933 11.746  13.961  1 37.716 ? 331 HOH   B O    1 ? ? 
HETATM 3937 O O    . HOH   E 3 .   ? -6.799  -0.863  18.417  1 36.51  ? 332 HOH   B O    1 ? ? 
HETATM 3938 O O    . HOH   E 3 .   ? -18.787 18.325  33.424  1 26.345 ? 333 HOH   B O    1 ? ? 
HETATM 3939 O O    . HOH   E 3 .   ? -1.892  11.189  37.452  1 36.652 ? 334 HOH   B O    1 ? ? 
HETATM 3940 O O    . HOH   E 3 .   ? -14.868 5.178   40.086  1 33.741 ? 335 HOH   B O    1 ? ? 
HETATM 3941 O O    . HOH   E 3 .   ? -21.01  13.051  31.659  1 36.379 ? 336 HOH   B O    1 ? ? 
HETATM 3942 O O    . HOH   E 3 .   ? -8.107  -1.359  22.606  1 36.392 ? 337 HOH   B O    1 ? ? 
HETATM 3943 O O    . HOH   E 3 .   ? -11.85  30.174  37.22   1 39.103 ? 338 HOH   B O    1 ? ? 
HETATM 3944 O O    . HOH   E 3 .   ? -7.474  0.804   14.626  1 33.047 ? 339 HOH   B O    1 ? ? 
HETATM 3945 O O    . HOH   E 3 .   ? -8.53   2.912   33.673  1 32.571 ? 340 HOH   B O    1 ? ? 
HETATM 3946 O O    . HOH   E 3 .   ? 2.182   26.464  34.028  1 38.952 ? 341 HOH   B O    1 ? ? 
HETATM 3947 O O    . HOH   E 3 .   ? -17.194 4.227   28.599  1 35.921 ? 342 HOH   B O    1 ? ? 
HETATM 3948 O O    . HOH   E 3 .   ? -16.725 4.601   16.807  1 33.663 ? 343 HOH   B O    1 ? ? 
HETATM 3949 O O    . HOH   E 3 .   ? -18.059 12.993  40.529  1 39.974 ? 344 HOH   B O    1 ? ? 
HETATM 3950 O O    . HOH   E 3 .   ? -13.57  7.206   41.395  1 29.711 ? 345 HOH   B O    1 ? ? 
HETATM 3951 O O    . HOH   E 3 .   ? -23.098 12.335  38.624  1 44.446 ? 346 HOH   B O    1 ? ? 
HETATM 3952 O O    . HOH   E 3 .   ? -5.637  2.223   24.466  1 39.309 ? 347 HOH   B O    1 ? ? 
HETATM 3953 O O    . HOH   E 3 .   ? -10.147 5.337   12.023  1 28.628 ? 348 HOH   B O    1 ? ? 
HETATM 3954 O O    . HOH   E 3 .   ? -16.029 2.616   22.115  1 41.94  ? 349 HOH   B O    1 ? ? 
HETATM 3955 O O    . HOH   E 3 .   ? -7.352  8.075   7.666   1 57.823 ? 350 HOH   B O    1 ? ? 
HETATM 3956 O O    . HOH   E 3 .   ? -15.517 9.302   41.796  1 31.465 ? 351 HOH   B O    1 ? ? 
HETATM 3957 O O    . HOH   E 3 .   ? -10.341 1.873   35.108  1 36.673 ? 352 HOH   B O    1 ? ? 
HETATM 3958 O O    . HOH   E 3 .   ? 4.358   26.635  23.72   1 45.088 ? 353 HOH   B O    1 ? ? 
HETATM 3959 O O    . HOH   E 3 .   ? -19.7   4.599   28.011  1 41.113 ? 354 HOH   B O    1 ? ? 
HETATM 3960 O O    . HOH   E 3 .   ? -22.579 3.066   34.827  1 49.968 ? 355 HOH   B O    1 ? ? 
HETATM 3961 O O    . HOH   E 3 .   ? -18.772 13.915  39.436  1 48.116 ? 356 HOH   B O    1 ? ? 
HETATM 3962 O O    . HOH   E 3 .   ? 0.794   4.316   33.929  1 35.098 ? 357 HOH   B O    1 ? ? 
HETATM 3963 O O    . HOH   E 3 .   ? -12.704 1.124   34.924  1 34.131 ? 358 HOH   B O    1 ? ? 
HETATM 3964 O O    . HOH   E 3 .   ? 0.116   21.137  30.994  1 47.731 ? 359 HOH   B O    1 ? ? 
HETATM 3965 O O    . HOH   E 3 .   ? -17.707 2.133   30.38   1 38.465 ? 360 HOH   B O    1 ? ? 
HETATM 3966 O O    . HOH   E 3 .   ? -10.103 2.946   41.539  1 36.592 ? 361 HOH   B O    1 ? ? 
HETATM 3967 O O    . HOH   E 3 .   ? 3.349   24.289  38.108  1 39.349 ? 362 HOH   B O    1 ? ? 
HETATM 3968 O O    . HOH   E 3 .   ? -18.261 1.971   36.342  1 43.045 ? 363 HOH   B O    1 ? ? 
HETATM 3969 O O    . HOH   E 3 .   ? -10.1   33.627  38.662  1 74.584 ? 364 HOH   B O    1 ? ? 
HETATM 3970 O O    . HOH   E 3 .   ? 0.563   11.195  38.555  1 43.43  ? 365 HOH   B O    1 ? ? 
HETATM 3971 O O    . HOH   E 3 .   ? -16.138 0.267   29.293  1 34.246 ? 366 HOH   B O    1 ? ? 
HETATM 3972 O O    . HOH   E 3 .   ? -10.900 0.055   39.029  1 49.875 ? 367 HOH   B O    1 ? ? 
HETATM 3973 O O    . HOH   E 3 .   ? -11.669 -1.055  24.673  1 47.621 ? 368 HOH   B O    1 ? ? 
HETATM 3974 O O    . HOH   E 3 .   ? -14.727 -3.391  23.122  1 44.739 ? 369 HOH   B O    1 ? ? 
HETATM 3975 O O    . HOH   E 3 .   ? -9.494  22.763  42.476  1 52.832 ? 370 HOH   B O    1 ? ? 
HETATM 3976 O O    . HOH   E 3 .   ? -12.188 -0.834  36.461  1 37.524 ? 371 HOH   B O    1 ? ? 
HETATM 3977 O O    . HOH   E 3 .   ? -12.285 32.706  36.908  1 52.577 ? 372 HOH   B O    1 ? ? 
HETATM 3978 O O    . HOH   E 3 .   ? -13.717 15.524  17.56   1 54.233 ? 373 HOH   B O    1 ? ? 
HETATM 3979 O O    . HOH   E 3 .   ? 3.681   23.766  33.601  1 36.188 ? 374 HOH   B O    1 ? ? 
HETATM 3980 O O    . HOH   E 3 .   ? -9.946  4.137   31.748  1 32.919 ? 375 HOH   B O    1 ? ? 
HETATM 3981 O O    . HOH   E 3 .   ? -18.323 -0.737  21.238  1 45.513 ? 376 HOH   B O    1 ? ? 
HETATM 3982 O O    . HOH   F 3 .   ? -24.964 -9.172  11.758  1 37.992 ? 301 HOH   A O    1 ? ? 
HETATM 3983 O O    . HOH   F 3 .   ? -2.151  1.058   -0.427  1 43.908 ? 302 HOH   A O    1 ? ? 
HETATM 3984 O O    . HOH   F 3 .   ? -10.402 -4.871  22.612  1 31.41  ? 303 HOH   A O    1 ? ? 
HETATM 3985 O O    . HOH   F 3 .   ? -28.509 11.325  -4.997  1 38.427 ? 304 HOH   A O    1 ? ? 
HETATM 3986 O O    . HOH   F 3 .   ? -5.088  3.75    -8.414  1 42.002 ? 305 HOH   A O    1 ? ? 
HETATM 3987 O O    . HOH   F 3 .   ? -25.347 14.63   11.124  1 47.24  ? 306 HOH   A O    1 ? ? 
HETATM 3988 O O    . HOH   F 3 .   ? -21.897 7.766   -7.34   1 43.245 ? 307 HOH   A O    1 ? ? 
HETATM 3989 O O    . HOH   F 3 .   ? -26.937 -8.622  -1.084  1 36.428 ? 308 HOH   A O    1 ? ? 
HETATM 3990 O O    . HOH   F 3 .   ? -26.19  17.478  1.311   1 42.999 ? 309 HOH   A O    1 ? ? 
HETATM 3991 O O    . HOH   F 3 .   ? -5.764  12.066  -6.594  1 43.718 ? 310 HOH   A O    1 ? ? 
HETATM 3992 O O    . HOH   F 3 .   ? -9.938  -9.582  -3.634  1 46.505 ? 311 HOH   A O    1 ? ? 
HETATM 3993 O O    . HOH   F 3 .   ? -12.715 10.138  8.299   1 35.832 ? 312 HOH   A O    1 ? ? 
HETATM 3994 O O    . HOH   F 3 .   ? -8.453  -1.736  -1.33   1 34.472 ? 313 HOH   A O    1 ? ? 
HETATM 3995 O O    . HOH   F 3 .   ? -5.039  -7.469  4.72    1 36.961 ? 314 HOH   A O    1 ? ? 
HETATM 3996 O O    . HOH   F 3 .   ? -8.888  -2.4    -9.292  1 48.393 ? 315 HOH   A O    1 ? ? 
HETATM 3997 O O    . HOH   F 3 .   ? -24.941 6.026   -8.727  1 47.899 ? 316 HOH   A O    1 ? ? 
HETATM 3998 O O    . HOH   F 3 .   ? -13.765 -4.388  18.452  1 38.102 ? 317 HOH   A O    1 ? ? 
HETATM 3999 O O    . HOH   F 3 .   ? -21.732 -8.742  -10.758 1 62.865 ? 318 HOH   A O    1 ? ? 
HETATM 4000 O O    . HOH   F 3 .   ? -6.651  -4.667  18.563  1 41.874 ? 319 HOH   A O    1 ? ? 
HETATM 4001 O O    . HOH   F 3 .   ? -20.74  1.54    17.948  1 38.883 ? 320 HOH   A O    1 ? ? 
HETATM 4002 O O    . HOH   F 3 .   ? -23.2   5.639   13.929  1 41.038 ? 321 HOH   A O    1 ? ? 
HETATM 4003 O O    . HOH   F 3 .   ? -26.291 19.395  3.478   1 40.758 ? 322 HOH   A O    1 ? ? 
HETATM 4004 O O    . HOH   F 3 .   ? -1.718  2.605   -5.895  1 54.24  ? 323 HOH   A O    1 ? ? 
HETATM 4005 O O    . HOH   F 3 .   ? -16.361 -3.776  18.576  1 40.111 ? 324 HOH   A O    1 ? ? 
HETATM 4006 O O    . HOH   F 3 .   ? -18.166 -6.85   -6.789  1 43.668 ? 325 HOH   A O    1 ? ? 
HETATM 4007 O O    . HOH   F 3 .   ? -23.056 -1.698  18.83   1 44.702 ? 326 HOH   A O    1 ? ? 
HETATM 4008 O O    . HOH   F 3 .   ? -20.519 -4.852  -11.469 1 44.387 ? 327 HOH   A O    1 ? ? 
HETATM 4009 O O    . HOH   F 3 .   ? -7.772  5.322   8.195   1 36.977 ? 328 HOH   A O    1 ? ? 
HETATM 4010 O O    . HOH   F 3 .   ? -6.819  -4.317  11.034  1 28.263 ? 329 HOH   A O    1 ? ? 
HETATM 4011 O O    . HOH   F 3 .   ? -13.583 -13.113 -3.793  1 42.756 ? 330 HOH   A O    1 ? ? 
HETATM 4012 O O    . HOH   F 3 .   ? -18.12  9.804   10.26   1 28.756 ? 331 HOH   A O    1 ? ? 
HETATM 4013 O O    . HOH   F 3 .   ? -8.479  -3.324  9.225   1 27.601 ? 332 HOH   A O    1 ? ? 
HETATM 4014 O O    . HOH   F 3 .   ? -28.401 -1.347  11.845  1 60.205 ? 333 HOH   A O    1 ? ? 
HETATM 4015 O O    . HOH   F 3 .   ? -20.35  -5.222  17.966  1 40.129 ? 334 HOH   A O    1 ? ? 
HETATM 4016 O O    . HOH   F 3 .   ? -17.156 12.215  -2.561  1 47.553 ? 335 HOH   A O    1 ? ? 
HETATM 4017 O O    . HOH   F 3 .   ? -10.128 -3.567  20.704  1 35.534 ? 336 HOH   A O    1 ? ? 
HETATM 4018 O O    . HOH   F 3 .   ? -12.397 6.848   11.805  1 27.143 ? 337 HOH   A O    1 ? ? 
HETATM 4019 O O    . HOH   F 3 .   ? -9.027  9.788   -0.016  1 38.704 ? 338 HOH   A O    1 ? ? 
HETATM 4020 O O    . HOH   F 3 .   ? -10.101 4.16    9.567   1 24.85  ? 339 HOH   A O    1 ? ? 
HETATM 4021 O O    . HOH   F 3 .   ? -3.972  4.921   8.658   1 38.185 ? 340 HOH   A O    1 ? ? 
HETATM 4022 O O    . HOH   F 3 .   ? -14.688 10.713  -1.358  1 31.666 ? 341 HOH   A O    1 ? ? 
HETATM 4023 O O    . HOH   F 3 .   ? -5.932  8.886   0.135   1 33.971 ? 342 HOH   A O    1 ? ? 
HETATM 4024 O O    . HOH   F 3 .   ? -3.763  -3.301  -4.69   1 45.431 ? 343 HOH   A O    1 ? ? 
HETATM 4025 O O    . HOH   F 3 .   ? -16.586 12.354  4.031   1 40.222 ? 344 HOH   A O    1 ? ? 
HETATM 4026 O O    . HOH   F 3 .   ? -6.042  -5.743  0.519   1 35.754 ? 345 HOH   A O    1 ? ? 
HETATM 4027 O O    . HOH   F 3 .   ? -3.486  1.423   1.835   1 37.544 ? 346 HOH   A O    1 ? ? 
HETATM 4028 O O    . HOH   F 3 .   ? -5.995  1.345   -9.343  1 39.762 ? 347 HOH   A O    1 ? ? 
HETATM 4029 O O    . HOH   F 3 .   ? -13.507 9.845   -3.659  1 41.026 ? 348 HOH   A O    1 ? ? 
HETATM 4030 O O    . HOH   F 3 .   ? -27.674 3.347   13.508  1 39.123 ? 349 HOH   A O    1 ? ? 
HETATM 4031 O O    . HOH   F 3 .   ? -7.952  -9.7    5.826   1 41.682 ? 350 HOH   A O    1 ? ? 
HETATM 4032 O O    . HOH   F 3 .   ? -13.238 14.131  7.168   1 42.033 ? 351 HOH   A O    1 ? ? 
HETATM 4033 O O    . HOH   F 3 .   ? -18.405 -14.889 8.22    1 57.807 ? 352 HOH   A O    1 ? ? 
HETATM 4034 O O    . HOH   F 3 .   ? -27.736 -10.344 5.878   1 45.285 ? 353 HOH   A O    1 ? ? 
HETATM 4035 O O    . HOH   F 3 .   ? -26.568 -4.899  1.467   1 54.667 ? 354 HOH   A O    1 ? ? 
HETATM 4036 O O    . HOH   F 3 .   ? -1.011  -1.186  8.425   1 59.013 ? 355 HOH   A O    1 ? ? 
HETATM 4037 O O    . HOH   F 3 .   ? -12.719 -5.3    22.227  1 34.983 ? 356 HOH   A O    1 ? ? 
HETATM 4038 O O    . HOH   F 3 .   ? -13.398 -6.512  19.677  1 33.729 ? 357 HOH   A O    1 ? ? 
HETATM 4039 O O    . HOH   F 3 .   ? -1.901  1.379   10.533  1 50.242 ? 358 HOH   A O    1 ? ? 
HETATM 4040 O O    . HOH   F 3 .   ? -5.615  -10.467 9.168   1 44.691 ? 359 HOH   A O    1 ? ? 
HETATM 4041 O O    . HOH   F 3 .   ? 2.243   -3.584  11.058  1 44.081 ? 360 HOH   A O    1 ? ? 
HETATM 4042 O O    . HOH   F 3 .   ? -28.899 -7.180  -1.944  1 36.097 ? 361 HOH   A O    1 ? ? 
HETATM 4043 O O    . HOH   F 3 .   ? -24.146 19.781  10.632  1 62.626 ? 362 HOH   A O    1 ? ? 
HETATM 4044 O O    . HOH   F 3 .   ? -11.194 8.568   9.931   1 35.356 ? 363 HOH   A O    1 ? ? 
HETATM 4045 O O    . HOH   F 3 .   ? -31.175 -5.790  -4.928  1 42.703 ? 364 HOH   A O    1 ? ? 
HETATM 4046 O O    . HOH   F 3 .   ? -31.186 -5.947  -0.349  1 42.772 ? 365 HOH   A O    1 ? ? 
HETATM 4047 O O    . HOH   F 3 .   ? -8.098  10.504  2.225   1 46.994 ? 366 HOH   A O    1 ? ? 
HETATM 4048 O O    . HOH   F 3 .   ? -2.377  3.339   10.231  1 44.024 ? 367 HOH   A O    1 ? ? 
HETATM 4049 O O    . HOH   F 3 .   ? -8.469  -10.494 8.537   1 48.12  ? 368 HOH   A O    1 ? ? 
HETATM 4050 O O    . HOH   F 3 .   ? -7.423  -4.563  -1.448  1 37.348 ? 369 HOH   A O    1 ? ? 
HETATM 4051 O O    . HOH   F 3 .   ? -31.866 -0.176  15.147  1 66.674 ? 370 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   ? 0.451016 0.581953 0.683337 0.170449    -0.112563   -0.0183046  13  GLY   B N    
2    C CA   . GLY   A 1   ? 0.406981 0.565048 0.659103 0.148032    -0.122598   -0.0217222  13  GLY   B CA   
3    C C    . GLY   A 1   ? 0.44124  0.566634 0.650497 0.125882    -0.109877   -0.0224268  13  GLY   B C    
4    O O    . GLY   A 1   ? 0.426565 0.510153 0.584275 0.127091    -0.111157   -0.0194679  13  GLY   B O    
5    H H1   . GLY   A 1   ? 0.454408 0.604666 0.71362  0.186229    -0.120203   -0.0181304  13  GLY   B H1   
6    H H2   . GLY   A 1   ? 0.43576  0.562816 0.666978 0.166644    -0.0929747  -0.0200102  13  GLY   B H2   
7    H H3   . GLY   A 1   ? 0.462625 0.559919 0.656003 0.172755    -0.118392   -0.0147546  13  GLY   B H3   
8    H HA2  . GLY   A 1   ? 0.434562 0.595921 0.68557  0.151806    -0.144556   -0.0210868  13  GLY   B HA2  
9    H HA3  . GLY   A 1   ? 0.405034 0.59883  0.699302 0.143715    -0.116064   -0.0243863  13  GLY   B HA3  
10   N N    . ALA   A 2   ? 0.361965 0.50791  0.594424 0.105909    -0.0983562  -0.025542   14  ALA   B N    
11   C CA   . ALA   A 2   ? 0.359225 0.482849 0.561716 0.0864032   -0.097767   -0.0273497  14  ALA   B CA   
12   C C    . ALA   A 2   ? 0.347437 0.430643 0.501192 0.0865458   -0.0814572  -0.0247764  14  ALA   B C    
13   O O    . ALA   A 2   ? 0.39177  0.449098 0.508357 0.0794061   -0.0855717  -0.0257143  14  ALA   B O    
14   C CB   . ALA   A 2   ? 0.359721 0.509191 0.597147 0.0663975   -0.0899846  -0.0291214  14  ALA   B CB   
15   H H    . ALA   A 2   ? 0.365309 0.53851  0.631772 0.104807    -0.0906123  -0.0262841  14  ALA   B H    
16   H HA   . ALA   A 2   ? 0.369936 0.487952 0.561207 0.0866702   -0.115155   -0.0291346  14  ALA   B HA   
17   H HB1  . ALA   A 2   ? 0.353277 0.524621 0.617588 0.0633439   -0.103615   -0.0312611  14  ALA   B HB1  
18   H HB2  . ALA   A 2   ? 0.345893 0.507296 0.598729 0.0668849   -0.0744426  -0.0271548  14  ALA   B HB2  
19   H HB3  . ALA   A 2   ? 0.347968 0.479446 0.564804 0.0557415   -0.0872386  -0.0299762  14  ALA   B HB3  
20   N N    . PRO   A 3   ? 0.387366 0.466711 0.541263 0.0893938   -0.0599751  -0.0231112  15  PRO   B N    
21   C CA   . PRO   A 3   ? 0.362618 0.404637 0.471945 0.0858491   -0.0461206  -0.0215324  15  PRO   B CA   
22   C C    . PRO   A 3   ? 0.361196 0.367818 0.428896 0.0955861   -0.0550441  -0.0182773  15  PRO   B C    
23   O O    . PRO   A 3   ? 0.420709 0.403186 0.452682 0.0853357   -0.0528323  -0.0174299  15  PRO   B O    
24   C CB   . PRO   A 3   ? 0.388136 0.433412 0.50647  0.0905361   -0.0257988  -0.0222149  15  PRO   B CB   
25   C CG   . PRO   A 3   ? 0.409607 0.499167 0.577473 0.0850563   -0.0229359  -0.0235462  15  PRO   B CG   
26   C CD   . PRO   A 3   ? 0.401868 0.513162 0.596584 0.0925287   -0.0459591  -0.0238973  15  PRO   B CD   
27   H HA   . PRO   A 3   ? 0.355038 0.394295 0.456846 0.0726986   -0.0433509  -0.022335   15  PRO   B HA   
28   H HB2  . PRO   A 3   ? 0.408442 0.444692 0.523005 0.105089    -0.0261735  -0.0219863  15  PRO   B HB2  
29   H HB3  . PRO   A 3   ? 0.388541 0.41828  0.486242 0.0816206   -0.0151727  -0.0222371  15  PRO   B HB3  
30   H HG2  . PRO   A 3   ? 0.401631 0.501579 0.582638 0.0915893   -0.0108079  -0.0247728  15  PRO   B HG2  
31   H HG3  . PRO   A 3   ? 0.384053 0.476475 0.551726 0.0701789   -0.0195078  -0.0229145  15  PRO   B HG3  
32   H HD2  . PRO   A 3   ? 0.410077 0.528455 0.616836 0.108271    -0.0487815  -0.0240184  15  PRO   B HD2  
33   H HD3  . PRO   A 3   ? 0.384893 0.521152 0.607572 0.0829593   -0.0486193  -0.0245999  15  PRO   B HD3  
34   N N    . ALA   A 4   ? 0.400267 0.405364 0.473506 0.115307    -0.0662501  -0.0156316  16  ALA   B N    
35   C CA   . ALA   A 4   ? 0.469543 0.437087 0.500129 0.124479    -0.07631    -0.00966412 16  ALA   B CA   
36   C C    . ALA   A 4   ? 0.475053 0.439968 0.484144 0.11518     -0.0923079  -0.00947384 16  ALA   B C    
37   O O    . ALA   A 4   ? 0.453487 0.385129 0.416283 0.112005    -0.0927217  -0.00482445 16  ALA   B O    
38   C CB   . ALA   A 4   ? 0.487448 0.455617 0.532176 0.149878    -0.0888426  -0.00604345 16  ALA   B CB   
39   H H    . ALA   A 4   ? 0.399844 0.427977 0.50429  0.123234    -0.0676719  -0.0169608  16  ALA   B H    
40   H HA   . ALA   A 4   ? 0.469034 0.410771 0.473161 0.119697    -0.0643213  -0.00820578 16  ALA   B HA   
41   H HB1  . ALA   A 4   ? 0.490543 0.459685 0.548078 0.157051    -0.077099   -0.00786751 16  ALA   B HB1  
42   H HB2  . ALA   A 4   ? 0.482527 0.479361 0.555841 0.153742    -0.101659   -0.0076267  16  ALA   B HB2  
43   H HB3  . ALA   A 4   ? 0.51926  0.457954 0.531647 0.155567    -0.0963025  -0.00035528 16  ALA   B HB3  
44   N N    . THR   A 5   ? 0.422937 0.421363 0.463764 0.111625    -0.106547   -0.0146988  17  THR   B N    
45   C CA   . THR   A 5   ? 0.409196 0.403514 0.428023 0.103679    -0.121543   -0.0178447  17  THR   B CA   
46   C C    . THR   A 5   ? 0.394821 0.372419 0.3853   0.0866045   -0.105241   -0.0211051  17  THR   B C    
47   O O    . THR   A 5   ? 0.450672 0.409195 0.401926 0.0829966   -0.109178   -0.0216242  17  THR   B O    
48   C CB   . THR   A 5   ? 0.443799 0.475296 0.505376 0.10011     -0.138815   -0.0248968  17  THR   B CB   
49   O OG1  . THR   A 5   ? 0.450048 0.499627 0.537251 0.117946    -0.155961   -0.0211635  17  THR   B OG1  
50   C CG2  . THR   A 5   ? 0.448192 0.472231 0.484653 0.0909499   -0.153915   -0.0318792  17  THR   B CG2  
51   H H    . THR   A 5   ? 0.411104 0.43479  0.487368 0.113719    -0.106315   -0.0168893  17  THR   B H    
52   H HA   . THR   A 5   ? 0.449799 0.426922 0.442787 0.112028    -0.13176    -0.013332   17  THR   B HA   
53   H HB   . THR   A 5   ? 0.406203 0.454272 0.495075 0.0920791   -0.128597   -0.0275707  17  THR   B HB   
55   H HG21 . THR   A 5   ? 0.452056 0.495647 0.511679 0.0909396   -0.169685   -0.0356674  17  THR   B HG21 
56   H HG22 . THR   A 5   ? 0.476494 0.479159 0.476429 0.0960688   -0.158556   -0.0286419  17  THR   B HG22 
57   H HG23 . THR   A 5   ? 0.435907 0.456443 0.46882  0.0799345   -0.143334   -0.0361437  17  THR   B HG23 
58   N N    . VAL   A 6   ? 0.371805 0.359551 0.38323  0.0768582   -0.0876811  -0.0233496  18  VAL   B N    
59   C CA   . VAL   A 6   ? 0.340163 0.317887 0.332627 0.0629639   -0.0748454  -0.0263691  18  VAL   B CA   
60   C C    . VAL   A 6   ? 0.395652 0.343396 0.347278 0.0624533   -0.0631939  -0.0204571  18  VAL   B C    
61   O O    . VAL   A 6   ? 0.384096 0.320399 0.307001 0.0544203   -0.0586313  -0.0218316  18  VAL   B O    
62   C CB   . VAL   A 6   ? 0.336338 0.330725 0.358532 0.0529211   -0.0626233  -0.0284328  18  VAL   B CB   
63   C CG1  . VAL   A 6   ? 0.338336 0.323286 0.342509 0.0417852   -0.0517069  -0.0305864  18  VAL   B CG1  
64   C CG2  . VAL   A 6   ? 0.317037 0.336745 0.377067 0.0490538   -0.0735414  -0.032818   18  VAL   B CG2  
65   H H    . VAL   A 6   ? 0.353781 0.355965 0.391529 0.0793078   -0.0839704  -0.0228876  18  VAL   B H    
66   H HA   . VAL   A 6   ? 0.360298 0.338713 0.344929 0.0600547   -0.0826836  -0.0308446  18  VAL   B HA   
67   H HB   . VAL   A 6   ? 0.329806 0.324204 0.358312 0.0560944   -0.0545782  -0.0250461  18  VAL   B HB   
68   H HG11 . VAL   A 6   ? 0.344242 0.324468 0.333939 0.0412611   -0.0570341  -0.0341119  18  VAL   B HG11 
69   H HG12 . VAL   A 6   ? 0.340085 0.31343  0.328674 0.0409158   -0.0423284  -0.027228   18  VAL   B HG12 
70   H HG13 . VAL   A 6   ? 0.319184 0.314506 0.341791 0.035955    -0.0489609  -0.0319361  18  VAL   B HG13 
71   H HG21 . VAL   A 6   ? 0.303832 0.331367 0.379731 0.0424772   -0.0650946  -0.0319384  18  VAL   B HG21 
72   H HG22 . VAL   A 6   ? 0.324712 0.355254 0.400089 0.0559827   -0.081303   -0.0317413  18  VAL   B HG22 
73   H HG23 . VAL   A 6   ? 0.323327 0.34004  0.375939 0.0457477   -0.0814478  -0.0376382  18  VAL   B HG23 
74   N N    . THR   A 7   ? 0.407642 0.342218 0.356826 0.0700203   -0.0570146  -0.0146301  19  THR   B N    
75   C CA   . THR   A 7   ? 0.447828 0.347515 0.356907 0.0681581   -0.0482047  -0.00823698 19  THR   B CA   
76   C C    . THR   A 7   ? 0.483764 0.36461  0.354561 0.0693864   -0.0584664  -0.00371382 19  THR   B C    
77   O O    . THR   A 7   ? 0.461491 0.325834 0.299819 0.0573453   -0.048748   -0.00146681 19  THR   B O    
78   C CB   . THR   A 7   ? 0.460044 0.340486 0.368989 0.0808025   -0.0446622  -0.00370215 19  THR   B CB   
79   O OG1  . THR   A 7   ? 0.431991 0.330115 0.368754 0.0765413   -0.031944   -0.00915109 19  THR   B OG1  
80   C CG2  . THR   A 7   ? 0.532557 0.369752 0.397681 0.0763036   -0.0370952  0.00315251  19  THR   B CG2  
81   H H    . THR   A 7   ? 0.401535 0.348187 0.374579 0.0761044   -0.0577108  -0.014986   19  THR   B H    
82   H HA   . THR   A 7   ? 0.433614 0.332667 0.337907 0.0567548   -0.0372705  -0.010015   19  THR   B HA   
83   H HB   . THR   A 7   ? 0.476963 0.362115 0.396625 0.0941998   -0.0559321  -0.00211737 19  THR   B HB   
85   H HG21 . THR   A 7   ? 0.529727 0.354582 0.397096 0.0815275   -0.0314796  0.00308343  19  THR   B HG21 
86   H HG22 . THR   A 7   ? 0.513832 0.350438 0.368039 0.0618306   -0.0287667  0.00193101  19  THR   B HG22 
87   H HG23 . THR   A 7   ? 0.547969 0.369375 0.392802 0.0822065   -0.0463252  0.00887937  19  THR   B HG23 
88   N N    . GLU   A 8   ? 0.468262 0.353481 0.341739 0.0826505   -0.0779323  -0.00220071 20  GLU   B N    
89   C CA   . GLU   A 8   ? 0.510035 0.37252  0.339738 0.0860854   -0.0902016  0.00413939  20  GLU   B CA   
90   C C    . GLU   A 8   ? 0.528448 0.401742 0.341904 0.0747463   -0.090957   -0.00381597 20  GLU   B C    
91   O O    . GLU   A 8   ? 0.568626 0.420535 0.335315 0.0698303   -0.0891629  0.00064093  20  GLU   B O    
92   C CB   . GLU   A 8   ? 0.545303 0.4152   0.3884   0.105168    -0.115377   0.00694962  20  GLU   B CB   
93   H H    . GLU   A 8   ? 0.46103  0.36507  0.364351 0.0893756   -0.0844006  -0.00492288 20  GLU   B H    
94   H HA   . GLU   A 8   ? 0.541263 0.376723 0.342549 0.0839344   -0.0830093  0.0115206   20  GLU   B HA   
97   N N    . GLN   A 9   ? 0.466964 0.371233 0.316834 0.0717071   -0.09472    -0.015594   21  GLN   B N    
98   C CA   . GLN   A 9   ? 0.489429 0.402214 0.327635 0.0668852   -0.102182   -0.0260089  21  GLN   B CA   
99   C C    . GLN   A 9   ? 0.442463 0.370229 0.298236 0.055425    -0.087216   -0.0365489  21  GLN   B C    
100  O O    . GLN   A 9   ? 0.483074 0.413203 0.32448  0.0523562   -0.0894207  -0.0470304  21  GLN   B O    
101  C CB   . GLN   A 9   ? 0.513924 0.444305 0.37496  0.0742266   -0.127221   -0.0323038  21  GLN   B CB   
102  C CG   . GLN   A 9   ? 0.564098 0.485886 0.415297 0.0887213   -0.146879   -0.0222677  21  GLN   B CG   
103  C CD   . GLN   A 9   ? 0.561132 0.505613 0.437141 0.0937266   -0.174141   -0.0294985  21  GLN   B CD   
104  O OE1  . GLN   A 9   ? 0.616104 0.577967 0.513344 0.0845869   -0.177904   -0.0423331  21  GLN   B OE1  
105  N NE2  . GLN   A 9   ? 0.630282 0.572584 0.502059 0.108028    -0.195483   -0.0213726  21  GLN   B NE2  
106  H H    . GLN   A 9   ? 0.451843 0.370295 0.333459 0.0727214   -0.0926012  -0.0173316  21  GLN   B H    
107  H HA   . GLN   A 9   ? 0.518111 0.413963 0.318173 0.0660249   -0.101736   -0.0228666  21  GLN   B HA   
108  H HB2  . GLN   A 9   ? 0.48401  0.43257  0.382788 0.0726182   -0.126403   -0.0356875  21  GLN   B HB2  
109  H HB3  . GLN   A 9   ? 0.524655 0.45473  0.370334 0.0707304   -0.132202   -0.0401915  21  GLN   B HB3  
110  H HG2  . GLN   A 9   ? 0.59087  0.490843 0.400784 0.0897124   -0.147496   -0.0169043  21  GLN   B HG2  
111  H HG3  . GLN   A 9   ? 0.547417 0.469767 0.416529 0.094074    -0.14184    -0.0160329  21  GLN   B HG3  
112  H HE21 . GLN   A 9   ? 0.62043  0.579332 0.510753 0.110922    -0.213006   -0.0252342  21  GLN   B HE21 
113  H HE22 . GLN   A 9   ? 0.636545 0.560411 0.487466 0.114859    -0.193264   -0.0118639  21  GLN   B HE22 
114  N N    . GLY   A 10  ? 0.403254 0.340478 0.289262 0.0509361   -0.0743295  -0.0347923  22  GLY   B N    
115  C CA   . GLY   A 10  ? 0.403004 0.354823 0.310097 0.0423918   -0.0643241  -0.0430367  22  GLY   B CA   
116  C C    . GLY   A 10  ? 0.3535   0.300661 0.234381 0.0352254   -0.049043   -0.0460377  22  GLY   B C    
117  O O    . GLY   A 10  ? 0.399244 0.331716 0.250991 0.0316355   -0.0393522  -0.0379871  22  GLY   B O    
118  H H    . GLY   A 10  ? 0.408321 0.341593 0.300581 0.0539149   -0.072141   -0.0283643  22  GLY   B H    
119  H HA2  . GLY   A 10  ? 0.378496 0.338591 0.298637 0.0434245   -0.0739096  -0.0501056  22  GLY   B HA2  
120  H HA3  . GLY   A 10  ? 0.361804 0.319353 0.289474 0.0403281   -0.0584764  -0.0398206  22  GLY   B HA3  
121  N N    . GLU   A 11  ? 0.36865  0.328738 0.264515 0.0331759   -0.0470708  -0.0571853  23  GLU   B N    
122  C CA   . GLU   A 11  ? 0.390356 0.356622 0.275057 0.028321    -0.0314163  -0.0627251  23  GLU   B CA   
123  C C    . GLU   A 11  ? 0.342815 0.318349 0.249629 0.0209387   -0.0195781  -0.0562982  23  GLU   B C    
124  O O    . GLU   A 11  ? 0.343014 0.324688 0.279378 0.0208266   -0.0237941  -0.054503   23  GLU   B O    
125  C CB   . GLU   A 11  ? 0.377806 0.352984 0.275696 0.0329071   -0.0356093  -0.0782557  23  GLU   B CB   
126  C CG   . GLU   A 11  ? 0.472155 0.459283 0.363507 0.032041    -0.0192054  -0.0865198  23  GLU   B CG   
127  C CD   . GLU   A 11  ? 0.613434 0.603202 0.518718 0.0406147   -0.0257264  -0.10331    23  GLU   B CD   
128  O OE1  . GLU   A 11  ? 0.604196 0.581613 0.511981 0.0441209   -0.0433743  -0.108394   23  GLU   B OE1  
129  O OE2  . GLU   A 11  ? 0.585497 0.589221 0.497988 0.0438255   -0.0135202  -0.111974   23  GLU   B OE2  
130  H H    . GLU   A 11  ? 0.356263 0.322003 0.271581 0.0351702   -0.0557426  -0.0616512  23  GLU   B H    
131  H HA   . GLU   A 11  ? 0.403605 0.362188 0.259625 0.0267011   -0.026198   -0.0604002  23  GLU   B HA   
132  H HB2  . GLU   A 11  ? 0.418496 0.386528 0.30323  0.0368544   -0.0455189  -0.0834583  23  GLU   B HB2  
133  H HB3  . GLU   A 11  ? 0.380015 0.359819 0.304795 0.0329894   -0.0402525  -0.0783145  23  GLU   B HB3  
134  H HG2  . GLU   A 11  ? 0.456873 0.453402 0.363415 0.0276279   -0.0112222  -0.0816262  23  GLU   B HG2  
135  H HG3  . GLU   A 11  ? 0.497646 0.480997 0.360786 0.030521    -0.0128467  -0.0863495  23  GLU   B HG3  
136  N N    . ASP   A 12  ? 0.358707 0.337042 0.250851 0.0127685   -0.00436907 -0.0532637  24  ASP   B N    
137  C CA   . ASP   A 12  ? 0.318282 0.308393 0.230094 0.00437326  0.00462027  -0.049742   24  ASP   B CA   
138  C C    . ASP   A 12  ? 0.338365 0.351915 0.275218 0.00693164  0.00712268  -0.0596375  24  ASP   B C    
139  O O    . ASP   A 12  ? 0.361021 0.385558 0.288863 0.00790219  0.0156638   -0.0672649  24  ASP   B O    
140  C CB   . ASP   A 12  ? 0.332203 0.316534 0.220429 -0.00793421 0.0181651   -0.04269    24  ASP   B CB   
141  C CG   . ASP   A 12  ? 0.341727 0.337443 0.24692  -0.0199992  0.0257249   -0.0392908  24  ASP   B CG   
142  O OD1  . ASP   A 12  ? 0.342645 0.353129 0.277948 -0.0173268  0.020263    -0.0420848  24  ASP   B OD1  
143  O OD2  . ASP   A 12  ? 0.387483 0.375658 0.274434 -0.0331421  0.0355579   -0.0333889  24  ASP   B OD2  
144  H H    . ASP   A 12  ? 0.373583 0.346751 0.241999 0.0113589   7.122e-05   -0.0532388  24  ASP   B H    
145  H HA   . ASP   A 12  ? 0.314805 0.300706 0.238584 0.00477394  -0.00022791 -0.0454785  24  ASP   B HA   
146  H HB2  . ASP   A 12  ? 0.353032 0.317841 0.223224 -0.00777427 0.0154965   -0.0361676  24  ASP   B HB2  
147  H HB3  . ASP   A 12  ? 0.353513 0.344263 0.229774 -0.00930808 0.0247876   -0.0464863  24  ASP   B HB3  
148  N N    . ILE   A 13  ? 0.310794 0.329686 0.27658  0.00974441  -0.00082531 -0.0595234  25  ILE   B N    
149  C CA   . ILE   A 13  ? 0.300568 0.335492 0.290706 0.0160768   -0.00272042 -0.0681539  25  ILE   B CA   
150  C C    . ILE   A 13  ? 0.299463 0.353334 0.308352 0.00944627  0.00251972  -0.0637897  25  ILE   B C    
151  O O    . ILE   A 13  ? 0.310771 0.37722  0.344395 0.0161052   -0.0023705  -0.067812   25  ILE   B O    
152  C CB   . ILE   A 13  ? 0.308919 0.333306 0.31574  0.0236096   -0.0173841  -0.0708868  25  ILE   B CB   
153  C CG1  . ILE   A 13  ? 0.309374 0.326739 0.326007 0.0171169   -0.0223511  -0.0585823  25  ILE   B CG1  
154  C CG2  . ILE   A 13  ? 0.341234 0.352037 0.331624 0.0295359   -0.0246882  -0.078891   25  ILE   B CG2  
155  C CD1  . ILE   A 13  ? 0.344066 0.354434 0.381609 0.0202171   -0.0345305  -0.058798   25  ILE   B CD1  
156  H H    . ILE   A 13  ? 0.303764 0.31536  0.273363 0.00810376  -0.00481413 -0.053676   25  ILE   B H    
157  H HA   . ILE   A 13  ? 0.320059 0.360363 0.302377 0.0197955   0.0020311   -0.0758384  25  ILE   B HA   
158  H HB   . ILE   A 13  ? 0.31024  0.341255 0.332199 0.0283421   -0.0191173  -0.0756158  25  ILE   B HB   
159  H HG12 . ILE   A 13  ? 0.316494 0.326516 0.321245 0.0153263   -0.0220002  -0.0552335  25  ILE   B HG12 
160  H HG13 . ILE   A 13  ? 0.306465 0.330698 0.326675 0.0122426   -0.0177379  -0.0538773  25  ILE   B HG13 
161  H HG21 . ILE   A 13  ? 0.336736 0.341576 0.339774 0.0326965   -0.0340813  -0.0819341  25  ILE   B HG21 
162  H HG22 . ILE   A 13  ? 0.33961  0.343643 0.317683 0.0264561   -0.0256115  -0.0732332  25  ILE   B HG22 
163  H HG23 . ILE   A 13  ? 0.351135 0.365658 0.330009 0.0330314   -0.0195201  -0.08677    25  ILE   B HG23 
164  H HD11 . ILE   A 13  ? 0.333858 0.347323 0.381233 0.024288    -0.0364093  -0.0628593  25  ILE   B HD11 
165  H HD12 . ILE   A 13  ? 0.323742 0.332971 0.367155 0.0152144   -0.0349062  -0.050715   25  ILE   B HD12 
166  H HD13 . ILE   A 13  ? 0.33927  0.34251  0.373907 0.0227212   -0.0402585  -0.0629091  25  ILE   B HD13 
167  N N    . THR   A 14  ? 0.273382 0.327629 0.27037  -0.00311938 0.010391    -0.0560775  26  THR   B N    
168  C CA   . THR   A 14  ? 0.27385  0.347518 0.28689  -0.0121263  0.0132445   -0.0528993  26  THR   B CA   
169  C C    . THR   A 14  ? 0.292068 0.395404 0.314971 -0.0135816  0.0241386   -0.0602177  26  THR   B C    
170  O O    . THR   A 14  ? 0.347865 0.450751 0.351538 -0.015347   0.035131    -0.0637256  26  THR   B O    
171  C CB   . THR   A 14  ? 0.308187 0.368063 0.303917 -0.0272378  0.0167005   -0.0437064  26  THR   B CB   
172  O OG1  . THR   A 14  ? 0.303275 0.351525 0.2721   -0.0351762  0.027217    -0.0419639  26  THR   B OG1  
173  C CG2  . THR   A 14  ? 0.322308 0.360113 0.313734 -0.0239653  0.00858426  -0.0381402  26  THR   B CG2  
174  H H    . THR   A 14  ? 0.290954 0.331997 0.269003 -0.00651543 0.0129502   -0.0527387  26  THR   B H    
175  H HA   . THR   A 14  ? 0.269521 0.346664 0.2993   -0.00740777 0.00524604  -0.0524448  26  THR   B HA   
176  H HB   . THR   A 14  ? 0.297702 0.371858 0.304429 -0.0340311  0.0167837   -0.0428066  26  THR   B HB   
178  H HG21 . THR   A 14  ? 0.322372 0.349442 0.301268 -0.0317583  0.0115079   -0.0341169  26  THR   B HG21 
179  H HG22 . THR   A 14  ? 0.317997 0.345508 0.303596 -0.0170532  0.00670493  -0.0391787  26  THR   B HG22 
180  H HG23 . THR   A 14  ? 0.306291 0.351023 0.313076 -0.0211411  0.00237265  -0.0376679  26  THR   B HG23 
181  N N    . SER   A 15  ? 0.265882 0.396226 0.318066 -0.0140322  0.0210324   -0.0611648  27  SER   B N    
182  C CA   . SER   A 15  ? 0.271571 0.439659 0.341712 -0.0161713  0.0327014   -0.0682506  27  SER   B CA   
183  C C    . SER   A 15  ? 0.311056 0.482738 0.363316 -0.0390516  0.0460065   -0.0623494  27  SER   B C    
184  O O    . SER   A 15  ? 0.335716 0.529313 0.387345 -0.0447708  0.0618607   -0.0668553  27  SER   B O    
185  C CB   . SER   A 15  ? 0.331898 0.530523 0.441623 -0.0104645  0.0227135   -0.069434   27  SER   B CB   
186  O OG   . SER   A 15  ? 0.366547 0.556194 0.489648 0.01133     0.0117624   -0.0750694  27  SER   B OG   
187  H H    . SER   A 15  ? 0.261905 0.389238 0.323387 -0.013026   0.0118894   -0.0572958  27  SER   B H    
188  H HA   . SER   A 15  ? 0.296277 0.467226 0.364078 -0.00665002 0.0380878   -0.0760531  27  SER   B HA   
189  H HB2  . SER   A 15  ? 0.316121 0.508532 0.424403 -0.0189893  0.0153135   -0.0619978  27  SER   B HB2  
190  H HB3  . SER   A 15  ? 0.32433  0.553065 0.450448 -0.0129201  0.030608    -0.0738503  27  SER   B HB3  
192  N N    . LYS   A 16  ? 0.287734 0.439957 0.327457 -0.0533617  0.0402696   -0.0528521  28  LYS   B N    
193  C CA   . LYS   A 16  ? 0.338705 0.48397  0.358192 -0.0762891  0.0506371   -0.0470769  28  LYS   B CA   
194  C C    . LYS   A 16  ? 0.347012 0.457293 0.325644 -0.0788375  0.0598348   -0.0429681  28  LYS   B C    
195  O O    . LYS   A 16  ? 0.350961 0.4531   0.309888 -0.0978511  0.0706066   -0.037639   28  LYS   B O    
196  C CB   . LYS   A 16  ? 0.386044 0.514158 0.399368 -0.0894226  0.0409796   -0.0406526  28  LYS   B CB   
197  C CG   . LYS   A 16  ? 0.452809 0.617601 0.50069  -0.0939156  0.0316164   -0.0426933  28  LYS   B CG   
198  C CD   . LYS   A 16  ? 0.546475 0.689763 0.580685 -0.105464   0.0202357   -0.0377988  28  LYS   B CD   
199  C CE   . LYS   A 16  ? 0.662284 0.831257 0.72488  -0.0976176  0.00404625  -0.0382853  28  LYS   B CE   
200  N NZ   . LYS   A 16  ? 0.915322 1.05803  0.956165 -0.105253   -0.00670516 -0.0339269  28  LYS   B NZ   
201  H H    . LYS   A 16  ? 0.291417 0.432727 0.333888 -0.0490931  0.0300089   -0.0502209  28  LYS   B H    
202  H HA   . LYS   A 16  ? 0.340288 0.515293 0.375994 -0.0833726  0.0581324   -0.0499964  28  LYS   B HA   
203  H HB2  . LYS   A 16  ? 0.385642 0.49114  0.389141 -0.0807104  0.0339531   -0.0387033  28  LYS   B HB2  
204  H HB3  . LYS   A 16  ? 0.40756  0.521192 0.401962 -0.103971   0.0473273   -0.0370999  28  LYS   B HB3  
205  H HG2  . LYS   A 16  ? 0.45656  0.646625 0.516881 -0.104524   0.0387682   -0.0445584  28  LYS   B HG2  
206  H HG3  . LYS   A 16  ? 0.43811  0.61616  0.504791 -0.0786038  0.0254398   -0.045691   28  LYS   B HG3  
207  H HD2  . LYS   A 16  ? 0.552765 0.6649   0.565441 -0.100255   0.0193767   -0.0353187  28  LYS   B HD2  
208  H HD3  . LYS   A 16  ? 0.565788 0.709177 0.593326 -0.123147   0.0240311   -0.0369573  28  LYS   B HD3  
209  H HE2  . LYS   A 16  ? 0.676411 0.877347 0.761599 -0.103987   0.00319591  -0.0405602  28  LYS   B HE2  
210  H HE3  . LYS   A 16  ? 0.662256 0.833012 0.734445 -0.0809467  0.00094537  -0.0392311  28  LYS   B HE3  
211  H HZ1  . LYS   A 16  ? 0.841492 0.979231 0.87168  -0.12082    -0.00452105 -0.0341798  28  LYS   B HZ1  
212  H HZ2  . LYS   A 16  ? 0.825711 0.942546 0.849018 -0.0985918  -0.0049532  -0.0321569  28  LYS   B HZ2  
213  H HZ3  . LYS   A 16  ? 0.82453  0.981366 0.879158 -0.101268   -0.0174261  -0.0329307  28  LYS   B HZ3  
214  N N    . LYS   A 17  ? 0.348774 0.437094 0.313704 -0.0614976  0.0543347   -0.0444132  29  LYS   B N    
215  C CA   . LYS   A 17  ? 0.345048 0.399517 0.270448 -0.0616093  0.0585213   -0.0393837  29  LYS   B CA   
216  C C    . LYS   A 17  ? 0.37525  0.394596 0.276661 -0.0743838  0.057178    -0.0291523  29  LYS   B C    
217  O O    . LYS   A 17  ? 0.436057 0.432597 0.306183 -0.085877   0.0653713   -0.022146   29  LYS   B O    
218  C CB   . LYS   A 17  ? 0.413479 0.476977 0.319259 -0.0676606  0.074369    -0.0407686  29  LYS   B CB   
219  C CG   . LYS   A 17  ? 0.418262 0.509497 0.342468 -0.0502256  0.0755413   -0.0541462  29  LYS   B CG   
220  C CD   . LYS   A 17  ? 0.490431 0.560108 0.403151 -0.0305982  0.062777    -0.0591104  29  LYS   B CD   
221  C CE   . LYS   A 17  ? 0.636518 0.723685 0.56335  -0.0127185  0.0614144   -0.0747796  29  LYS   B CE   
222  N NZ   . LYS   A 17  ? 0.613663 0.706312 0.576554 -0.00016018 0.0464476   -0.0796532  29  LYS   B NZ   
223  H H    . LYS   A 17  ? 0.325723 0.419324 0.305958 -0.0495764  0.0465008   -0.0481348  29  LYS   B H    
224  H HA   . LYS   A 17  ? 0.355091 0.399372 0.279049 -0.0481875  0.0506313   -0.0414971  29  LYS   B HA   
225  H HB2  . LYS   A 17  ? 0.413788 0.491743 0.324269 -0.0823361  0.0835798   -0.0388566  29  LYS   B HB2  
226  H HB3  . LYS   A 17  ? 0.427419 0.464095 0.303326 -0.0678185  0.0745545   -0.0354431  29  LYS   B HB3  
227  H HG2  . LYS   A 17  ? 0.409243 0.523278 0.364165 -0.0472688  0.0725194   -0.0585526  29  LYS   B HG2  
228  H HG3  . LYS   A 17  ? 0.447843 0.551897 0.362917 -0.0553855  0.0885194   -0.0563817  29  LYS   B HG3  
229  H HD2  . LYS   A 17  ? 0.520986 0.56965  0.403292 -0.0330124  0.0642631   -0.0543547  29  LYS   B HD2  
230  H HD3  . LYS   A 17  ? 0.481378 0.539731 0.403467 -0.0273306  0.0516636   -0.0558633  29  LYS   B HD3  
231  H HE2  . LYS   A 17  ? 0.606974 0.717578 0.540304 -0.0149935  0.0736603   -0.0801229  29  LYS   B HE2  
232  H HE3  . LYS   A 17  ? 0.616081 0.68627  0.519538 -0.0072696  0.0584728   -0.0767394  29  LYS   B HE3  
233  H HZ1  . LYS   A 17  ? 0.598908 0.707033 0.581829 -0.00454269 0.0475857   -0.0774728  29  LYS   B HZ1  
234  H HZ2  . LYS   A 17  ? 0.60596  0.679496 0.563967 0.00127476  0.0365781   -0.0750087  29  LYS   B HZ2  
235  H HZ3  . LYS   A 17  ? 0.615702 0.714609 0.584795 0.0102388   0.0457983   -0.0893154  29  LYS   B HZ3  
236  N N    . ASP   A 18  ? 0.368145 0.380038 0.281703 -0.0706936  0.0467733   -0.0286296  30  ASP   B N    
237  C CA   . ASP   A 18  ? 0.385569 0.362362 0.277761 -0.0785328  0.0449963   -0.0223687  30  ASP   B CA   
238  C C    . ASP   A 18  ? 0.385637 0.335564 0.267906 -0.061015   0.0368254   -0.0204304  30  ASP   B C    
239  O O    . ASP   A 18  ? 0.391744 0.314817 0.261717 -0.0619024  0.0350758   -0.0177417  30  ASP   B O    
240  C CB   . ASP   A 18  ? 0.387615 0.375955 0.296206 -0.0894461  0.041099    -0.0242288  30  ASP   B CB   
241  C CG   . ASP   A 18  ? 0.38748  0.394996 0.322506 -0.0770468  0.0307287   -0.027734   30  ASP   B CG   
242  O OD1  . ASP   A 18  ? 0.340049 0.34514  0.28034  -0.0599844  0.0263489   -0.0285965  30  ASP   B OD1  
243  O OD2  . ASP   A 18  ? 0.358515 0.385594 0.309546 -0.0860254  0.0260832   -0.0291737  30  ASP   B OD2  
244  H H    . ASP   A 18  ? 0.345793 0.372894 0.279776 -0.0626604  0.0409175   -0.032471   30  ASP   B H    
245  H HA   . ASP   A 18  ? 0.412491 0.374977 0.284803 -0.0890271  0.0517072   -0.0183299  30  ASP   B HA   
246  H HB2  . ASP   A 18  ? 0.407326 0.369869 0.298565 -0.0948703  0.0409392   -0.0217771  30  ASP   B HB2  
247  H HB3  . ASP   A 18  ? 0.393967 0.401734 0.311137 -0.1013     0.0454492   -0.0252786  30  ASP   B HB3  
248  N N    . ARG   A 19  ? 0.361368 0.318318 0.249128 -0.0454646  0.0319258   -0.0228782  31  ARG   B N    
249  C CA   . ARG   A 19  ? 0.392962 0.333197 0.278965 -0.0296714  0.0227984   -0.0214929  31  ARG   B CA   
250  C C    . ARG   A 19  ? 0.355521 0.299646 0.261921 -0.0259518  0.0182246   -0.0225659  31  ARG   B C    
251  O O    . ARG   A 19  ? 0.374113 0.306847 0.281995 -0.015041   0.0135788   -0.0210904  31  ARG   B O    
252  C CB   . ARG   A 19  ? 0.40269  0.306785 0.256624 -0.0265919  0.0225408   -0.0142404  31  ARG   B CB   
253  C CG   . ARG   A 19  ? 0.424241 0.322704 0.253074 -0.0281441  0.0250928   -0.0114771  31  ARG   B CG   
254  C CD   . ARG   A 19  ? 0.499726 0.357654 0.289457 -0.0257371  0.0231314   -0.00115104 31  ARG   B CD   
255  N NE   . ARG   A 19  ? 0.511958 0.359919 0.311725 -0.00713636 0.0105786   -0.00071593 31  ARG   B NE   
256  C CZ   . ARG   A 19  ? 0.496807 0.351101 0.302014 0.00888432  -0.00252077 -0.00196083 31  ARG   B CZ   
257  N NH1  . ARG   A 19  ? 0.464794 0.333426 0.264506 0.0100799   -0.00612371 -0.00575808 31  ARG   B NH1  
258  N NH2  . ARG   A 19  ? 0.517799 0.36502  0.335936 0.0245839   -0.0127256  -0.00049585 31  ARG   B NH2  
259  H H    . ARG   A 19  ? 0.368052 0.342003 0.261873 -0.0447919  0.0341648   -0.026273   31  ARG   B H    
260  H HA   . ARG   A 19  ? 0.370803 0.321757 0.263838 -0.0218373  0.0187132   -0.0248226  31  ARG   B HA   
261  H HB2  . ARG   A 19  ? 0.420733 0.309222 0.263893 -0.0349257  0.0270548   -0.0114573  31  ARG   B HB2  
262  H HB3  . ARG   A 19  ? 0.40346  0.302315 0.262943 -0.0151159  0.0157978   -0.0140332  31  ARG   B HB3  
263  H HG2  . ARG   A 19  ? 0.420797 0.332949 0.258508 -0.0195436  0.0198344   -0.0158027  31  ARG   B HG2  
264  H HG3  . ARG   A 19  ? 0.433506 0.343009 0.261333 -0.0398052  0.033446    -0.0124209  31  ARG   B HG3  
265  H HD2  . ARG   A 19  ? 0.513814 0.370847 0.286401 -0.0256894  0.0235448   0.00054799  31  ARG   B HD2  
266  H HD3  . ARG   A 19  ? 0.514806 0.354911 0.291239 -0.0361792  0.0291951   0.0032151   31  ARG   B HD3  
267  H HE   . ARG   A 19  ? 0.504348 0.342633 0.308469 -0.00641007 0.0114748   -0.00010881 31  ARG   B HE   
268  H HH11 . ARG   A 19  ? 0.459806 0.346217 0.268815 0.00428897  -0.00083989 -0.0112142  31  ARG   B HH11 
269  H HH12 . ARG   A 19  ? 0.492431 0.352629 0.278406 0.0173027   -0.0142932  -0.00340966 31  ARG   B HH12 
270  H HH21 . ARG   A 19  ? 0.522731 0.352602 0.335745 0.0263554   -0.010561   0.00271274  31  ARG   B HH21 
271  H HH22 . ARG   A 19  ? 0.49972  0.360482 0.332451 0.0330172   -0.0213279  -0.00331058 31  ARG   B HH22 
272  N N    . GLY   A 20  ? 0.325595 0.29102  0.250923 -0.0329806  0.0184429   -0.0252535  32  GLY   B N    
273  C CA   . GLY   A 20  ? 0.315739 0.284318 0.253988 -0.0319463  0.0149124   -0.0248225  32  GLY   B CA   
274  C C    . GLY   A 20  ? 0.311087 0.289016 0.269865 -0.0198757  0.00768027  -0.0253352  32  GLY   B C    
275  O O    . GLY   A 20  ? 0.274002 0.249921 0.238981 -0.0182566  0.00709481  -0.0231335  32  GLY   B O    
276  H H    . GLY   A 20  ? 0.327175 0.306384 0.25697  -0.038209   0.020762    -0.0271011  32  GLY   B H    
277  H HA2  . GLY   A 20  ? 0.330714 0.282132 0.256047 -0.0333566  0.0177164   -0.023293   32  GLY   B HA2  
278  H HA3  . GLY   A 20  ? 0.312372 0.293237 0.257672 -0.0390809  0.0145807   -0.0255703  32  GLY   B HA3  
279  N N    . VAL   A 21  ? 0.301738 0.290336 0.270381 -0.0133851  0.00301268  -0.0288903  33  VAL   B N    
280  C CA   . VAL   A 21  ? 0.281263 0.275668 0.268857 -0.00453197 -0.00558024 -0.0305126  33  VAL   B CA   
281  C C    . VAL   A 21  ? 0.307988 0.298676 0.287457 0.00298712  -0.00961513 -0.0350535  33  VAL   B C    
282  O O    . VAL   A 21  ? 0.283305 0.2797   0.256214 0.00317035  -0.00766832 -0.0403567  33  VAL   B O    
283  C CB   . VAL   A 21  ? 0.288897 0.29734  0.297116 -0.00461381 -0.0109552  -0.0323466  33  VAL   B CB   
284  C CG1  . VAL   A 21  ? 0.293822 0.301173 0.319239 0.00120367  -0.0201155  -0.03314    33  VAL   B CG1  
285  C CG2  . VAL   A 21  ? 0.31536  0.32794  0.326113 -0.012807   -0.00945028 -0.0268845  33  VAL   B CG2  
286  H H    . VAL   A 21  ? 0.305769 0.297621 0.268296 -0.0154322  0.00562477  -0.0309529  33  VAL   B H    
287  H HA   . VAL   A 21  ? 0.288201 0.2782   0.278896 -0.00330036 -0.00590085 -0.0275346  33  VAL   B HA   
288  H HB   . VAL   A 21  ? 0.293887 0.308948 0.301802 -0.00329736 -0.010199   -0.0368685  33  VAL   B HB   
289  H HG11 . VAL   A 21  ? 0.290093 0.293945 0.316687 0.00027211  -0.0193904  -0.0293373  33  VAL   B HG11 
290  H HG12 . VAL   A 21  ? 0.295607 0.301817 0.319502 0.00603132  -0.023358   -0.0383973  33  VAL   B HG12 
291  H HG13 . VAL   A 21  ? 0.287926 0.298769 0.324451 0.00062133  -0.02378    -0.0322751  33  VAL   B HG13 
292  H HG21 . VAL   A 21  ? 0.301961 0.321176 0.325487 -0.011171   -0.0148672  -0.026677   33  VAL   B HG21 
293  H HG22 . VAL   A 21  ? 0.3101   0.32501  0.312271 -0.0180886  -0.00516272 -0.0274808  33  VAL   B HG22 
294  H HG23 . VAL   A 21  ? 0.307602 0.313378 0.314832 -0.0145094  -0.0077896  -0.0231462  33  VAL   B HG23 
295  N N    . LEU   A 22  ? 0.291284 0.274342 0.270693 0.00959177  -0.0152251  -0.0333816  34  LEU   B N    
296  C CA   . LEU   A 22  ? 0.305103 0.283243 0.273926 0.0169873   -0.0231709  -0.0368576  34  LEU   B CA   
297  C C    . LEU   A 22  ? 0.293688 0.280781 0.287039 0.021198    -0.035545   -0.0408794  34  LEU   B C    
298  O O    . LEU   A 22  ? 0.303584 0.297465 0.319225 0.019572    -0.0363396  -0.0370871  34  LEU   B O    
299  C CB   . LEU   A 22  ? 0.328328 0.290902 0.280187 0.0217168   -0.023147   -0.030616   34  LEU   B CB   
300  C CG   . LEU   A 22  ? 0.36043  0.305392 0.28404  0.0156599   -0.0123019  -0.0256626  34  LEU   B CG   
301  C CD1  . LEU   A 22  ? 0.378083 0.301188 0.287546 0.0229512   -0.0135855  -0.0191775  34  LEU   B CD1  
302  C CD2  . LEU   A 22  ? 0.369936 0.31179  0.268829 0.0106633   -0.00825468 -0.0273691  34  LEU   B CD2  
303  H H    . LEU   A 22  ? 0.292043 0.274295 0.278486 0.00968191  -0.0144303  -0.030112   34  LEU   B H    
304  H HA   . LEU   A 22  ? 0.313741 0.291974 0.270397 0.0158565   -0.0208634  -0.0404163  34  LEU   B HA   
305  H HB2  . LEU   A 22  ? 0.322273 0.287876 0.288864 0.0238522   -0.0236487  -0.0283883  34  LEU   B HB2  
306  H HB3  . LEU   A 22  ? 0.341691 0.30151  0.286806 0.0273655   -0.0311284  -0.0319609  34  LEU   B HB3  
307  H HG   . LEU   A 22  ? 0.34495  0.293974 0.275183 0.00900839  -0.00584826 -0.0254429  34  LEU   B HG   
308  H HD11 . LEU   A 22  ? 0.368968 0.296894 0.295211 0.026322    -0.0134386  -0.019177   34  LEU   B HD11 
309  H HD12 . LEU   A 22  ? 0.394138 0.301862 0.284395 0.0172462   -0.00668973 -0.0160026  34  LEU   B HD12 
310  H HD13 . LEU   A 22  ? 0.391843 0.310877 0.29429  0.0301582   -0.0217364  -0.0183193  34  LEU   B HD13 
311  H HD21 . LEU   A 22  ? 0.359387 0.315682 0.26905  0.0068092   -0.00525006 -0.0320631  34  LEU   B HD21 
312  H HD22 . LEU   A 22  ? 0.384281 0.322762 0.274124 0.0167371   -0.0152732  -0.0284817  34  LEU   B HD22 
313  H HD23 . LEU   A 22  ? 0.387542 0.316257 0.268198 0.00501014  -0.00152783 -0.0227761  34  LEU   B HD23 
314  N N    . LYS   A 23  ? 0.286227 0.272685 0.27388  0.0250028   -0.0446235  -0.0492313  35  LYS   B N    
315  C CA   . LYS   A 23  ? 0.294932 0.28595  0.303906 0.0258832   -0.057671   -0.055413   35  LYS   B CA   
316  C C    . LYS   A 23  ? 0.348049 0.334482 0.343767 0.0314295   -0.0719489  -0.0617414  35  LYS   B C    
317  O O    . LYS   A 23  ? 0.34918  0.326975 0.312995 0.0350327   -0.0707491  -0.064843   35  LYS   B O    
318  C CB   . LYS   A 23  ? 0.297295 0.287792 0.311927 0.0250241   -0.0570926  -0.0638551  35  LYS   B CB   
319  C CG   . LYS   A 23  ? 0.304956 0.291563 0.339825 0.0241339   -0.0711161  -0.0708798  35  LYS   B CG   
320  C CD   . LYS   A 23  ? 0.329595 0.309227 0.366306 0.0276594   -0.0710249  -0.0807303  35  LYS   B CD   
321  C CE   . LYS   A 23  ? 0.353086 0.319867 0.404462 0.0258748   -0.0866885  -0.0885867  35  LYS   B CE   
322  N NZ   . LYS   A 23  ? 0.356822 0.310487 0.406394 0.0331315   -0.0885982  -0.101261   35  LYS   B NZ   
323  H H    . LYS   A 23  ? 0.306525 0.28805  0.274181 0.0261555   -0.042201   -0.0514375  35  LYS   B H    
324  H HA   . LYS   A 23  ? 0.288115 0.284741 0.3164   0.0233787   -0.0587315  -0.0506911  35  LYS   B HA   
325  H HB2  . LYS   A 23  ? 0.285374 0.27947  0.307238 0.0219916   -0.0499234  -0.0593487  35  LYS   B HB2  
326  H HB3  . LYS   A 23  ? 0.309339 0.297311 0.305889 0.0281061   -0.0542328  -0.0695442  35  LYS   B HB3  
327  H HG2  . LYS   A 23  ? 0.321124 0.305134 0.34958  0.0260187   -0.0799744  -0.0757485  35  LYS   B HG2  
328  H HG3  . LYS   A 23  ? 0.297554 0.28788  0.350947 0.0192405   -0.072149   -0.0642275  35  LYS   B HG3  
329  H HD2  . LYS   A 23  ? 0.316091 0.299256 0.361965 0.0260455   -0.0650309  -0.0750893  35  LYS   B HD2  
330  H HD3  . LYS   A 23  ? 0.338643 0.317852 0.357586 0.0326648   -0.067126   -0.0878306  35  LYS   B HD3  
331  H HE2  . LYS   A 23  ? 0.358376 0.323715 0.402563 0.0258049   -0.0944425  -0.0932286  35  LYS   B HE2  
332  H HE3  . LYS   A 23  ? 0.338411 0.306197 0.408001 0.0194058   -0.088666   -0.0805557  35  LYS   B HE3  
333  H HZ1  . LYS   A 23  ? 0.371586 0.326062 0.404007 0.0390621   -0.0851624  -0.109557   35  LYS   B HZ1  
334  H HZ2  . LYS   A 23  ? 0.352237 0.308209 0.410334 0.0341153   -0.0832411  -0.096493   35  LYS   B HZ2  
335  H HZ3  . LYS   A 23  ? 0.373935 0.315786 0.43074  0.0310158   -0.0987464  -0.105991   35  LYS   B HZ3  
336  N N    . ILE   A 24  ? 0.3334   0.327323 0.354078 0.0304522   -0.0855246  -0.0623573  36  ILE   B N    
337  C CA   . ILE   A 24  ? 0.334798 0.326546 0.349436 0.0331423   -0.104669   -0.0712846  36  ILE   B CA   
338  C C    . ILE   A 24  ? 0.326222 0.320026 0.368289 0.0257624   -0.1156     -0.0787449  36  ILE   B C    
339  O O    . ILE   A 24  ? 0.364745 0.368933 0.44026  0.0182696   -0.114024   -0.072395   36  ILE   B O    
340  C CB   . ILE   A 24  ? 0.350416 0.3509   0.369722 0.0387339   -0.115571   -0.0648266  36  ILE   B CB   
341  C CG1  . ILE   A 24  ? 0.372477 0.362861 0.361907 0.0468748   -0.107398   -0.0557047  36  ILE   B CG1  
342  C CG2  . ILE   A 24  ? 0.43608  0.436577 0.450079 0.0399328   -0.139677   -0.074658   36  ILE   B CG2  
343  C CD1  . ILE   A 24  ? 0.387343 0.3857   0.387299 0.0564475   -0.119713   -0.0484852  36  ILE   B CD1  
344  H H    . ILE   A 24  ? 0.316894 0.318485 0.358686 0.0270851   -0.0831229  -0.0573292  36  ILE   B H    
345  H HA   . ILE   A 24  ? 0.356937 0.339069 0.345086 0.036101    -0.103985   -0.0769653  36  ILE   B HA   
346  H HB   . ILE   A 24  ? 0.344404 0.357663 0.392319 0.036064    -0.114296   -0.060185   36  ILE   B HB   
347  H HG12 . ILE   A 24  ? 0.390206 0.368652 0.349594 0.0482744   -0.107947   -0.0591099  36  ILE   B HG12 
348  H HG13 . ILE   A 24  ? 0.356775 0.34582  0.348281 0.0446199   -0.0932506  -0.0510032  36  ILE   B HG13 
349  H HG21 . ILE   A 24  ? 0.424371 0.431542 0.440633 0.045184    -0.148335   -0.070049   36  ILE   B HG21 
350  H HG22 . ILE   A 24  ? 0.436329 0.423535 0.420448 0.0417241   -0.140149   -0.081005   36  ILE   B HG22 
351  H HG23 . ILE   A 24  ? 0.412194 0.418886 0.44971  0.0333788   -0.146236   -0.0793566  36  ILE   B HG23 
352  H HD11 . ILE   A 24  ? 0.369141 0.384152 0.40245  0.0547864   -0.120472   -0.0473397  36  ILE   B HD11 
353  H HD12 . ILE   A 24  ? 0.391411 0.379664 0.375573 0.0612717   -0.112058   -0.0415899  36  ILE   B HD12 
354  H HD13 . ILE   A 24  ? 0.406292 0.403068 0.395337 0.0596076   -0.13477    -0.0519933  36  ILE   B HD13 
355  N N    . VAL   A 25  ? 0.384512 0.365055 0.409085 0.026822    -0.126248   -0.0930484  37  VAL   B N    
356  C CA   . VAL   A 25  ? 0.395416 0.369955 0.44237  0.0187456   -0.139825   -0.102026   37  VAL   B CA   
357  C C    . VAL   A 25  ? 0.400949 0.38862  0.464651 0.0141931   -0.159971   -0.102279   37  VAL   B C    
358  O O    . VAL   A 25  ? 0.427225 0.413795 0.466627 0.0201981   -0.171966   -0.107493   37  VAL   B O    
359  C CB   . VAL   A 25  ? 0.41962  0.371503 0.441196 0.0227728   -0.144054   -0.120348   37  VAL   B CB   
360  C CG1  . VAL   A 25  ? 0.445892 0.383803 0.484421 0.014023    -0.162515   -0.131742   37  VAL   B CG1  
361  C CG2  . VAL   A 25  ? 0.413917 0.35997  0.425569 0.0294576   -0.124628   -0.121084   37  VAL   B CG2  
362  H H    . VAL   A 25  ? 0.391618 0.365031 0.388868 0.0319274   -0.1248     -0.0976028  37  VAL   B H    
363  H HA   . VAL   A 25  ? 0.377161 0.354254 0.445439 0.013533    -0.133628   -0.0958463  37  VAL   B HA   
364  H HB   . VAL   A 25  ? 0.440168 0.390023 0.435968 0.0276359   -0.148282   -0.125601   37  VAL   B HB   
365  H HG11 . VAL   A 25  ? 0.429268 0.372334 0.495853 0.00605628  -0.162065   -0.123378   37  VAL   B HG11 
366  H HG12 . VAL   A 25  ? 0.460748 0.400723 0.49391  0.0120198   -0.176605   -0.136834   37  VAL   B HG12 
367  H HG13 . VAL   A 25  ? 0.461051 0.381901 0.487296 0.0179638   -0.161111   -0.142512   37  VAL   B HG13 
368  H HG21 . VAL   A 25  ? 0.434978 0.36918  0.429877 0.0343904   -0.126065   -0.133994   37  VAL   B HG21 
369  H HG22 . VAL   A 25  ? 0.402504 0.357191 0.402832 0.0325835   -0.113987   -0.114132   37  VAL   B HG22 
370  H HG23 . VAL   A 25  ? 0.399348 0.345056 0.432762 0.025589    -0.121724   -0.115727   37  VAL   B HG23 
371  N N    . LYS   A 26  ? 0.408281 0.410168 0.514127 0.00257529  -0.165054   -0.0965189  38  LYS   B N    
372  C CA   . LYS   A 26  ? 0.426845 0.450324 0.557716 -0.00243286 -0.184265   -0.096585   38  LYS   B CA   
373  C C    . LYS   A 26  ? 0.423032 0.434719 0.562051 -0.0149715  -0.205948   -0.110855   38  LYS   B C    
374  O O    . LYS   A 26  ? 0.392895 0.417728 0.541029 -0.0185712  -0.22865    -0.116793   38  LYS   B O    
375  C CB   . LYS   A 26  ? 0.403644 0.456709 0.577662 -0.00783956 -0.17356    -0.0815352  38  LYS   B CB   
376  C CG   . LYS   A 26  ? 0.439907 0.50153  0.602934 0.00575148  -0.155858   -0.0703513  38  LYS   B CG   
377  C CD   . LYS   A 26  ? 0.546332 0.607999 0.682898 0.0211121   -0.165732   -0.0711607  38  LYS   B CD   
378  C CE   . LYS   A 26  ? 0.562591 0.655628 0.732362 0.0262619   -0.177353   -0.0659555  38  LYS   B CE   
379  N NZ   . LYS   A 26  ? 0.638994 0.723546 0.775563 0.042298    -0.189664   -0.0653108  38  LYS   B NZ   
380  H H    . LYS   A 26  ? 0.393678 0.393476 0.513482 -0.00267853 -0.15648    -0.0919767  38  LYS   B H    
381  H HA   . LYS   A 26  ? 0.430013 0.456165 0.542001 0.00658428  -0.189965   -0.097442   38  LYS   B HA   
382  H HB2  . LYS   A 26  ? 0.406648 0.454688 0.59343  -0.0167733  -0.165701   -0.0786577  38  LYS   B HB2  
383  H HB3  . LYS   A 26  ? 0.418823 0.490701 0.616849 -0.012291   -0.186281   -0.0821536  38  LYS   B HB3  
384  H HG2  . LYS   A 26  ? 0.437317 0.483791 0.582119 0.00728409  -0.142902   -0.0690077  38  LYS   B HG2  
385  H HG3  . LYS   A 26  ? 0.429598 0.510706 0.62069  0.00266581  -0.149397   -0.062942   38  LYS   B HG3  
386  H HD2  . LYS   A 26  ? 0.546327 0.594999 0.661496 0.0213933   -0.177679   -0.0798808  38  LYS   B HD2  
387  H HD3  . LYS   A 26  ? 0.52215  0.574037 0.637452 0.0281652   -0.152618   -0.0664613  38  LYS   B HD3  
388  H HE2  . LYS   A 26  ? 0.551317 0.65708  0.739945 0.0278626   -0.163851   -0.0584099  38  LYS   B HE2  
389  H HE3  . LYS   A 26  ? 0.5753   0.681592 0.769518 0.0175983   -0.1907     -0.070428   38  LYS   B HE3  
390  H HZ1  . LYS   A 26  ? 0.618965 0.6893   0.732208 0.0485291   -0.177096   -0.0608595  38  LYS   B HZ1  
391  H HZ2  . LYS   A 26  ? 0.64049  0.713908 0.757242 0.040509    -0.202156   -0.0726478  38  LYS   B HZ2  
392  H HZ3  . LYS   A 26  ? 0.622725 0.726651 0.780819 0.0477686   -0.197763   -0.0618546  38  LYS   B HZ3  
393  N N    . ARG   A 27  ? 0.412173 0.401209 0.555866 -0.0237844  -0.20099    -0.114655   39  ARG   B N    
394  C CA   . ARG   A 27  ? 0.435243 0.402566 0.58335  -0.0366435  -0.220921   -0.129478   39  ARG   B CA   
395  C C    . ARG   A 27  ? 0.484647 0.412796 0.603979 -0.0297183  -0.212713   -0.139875   39  ARG   B C    
396  O O    . ARG   A 27  ? 0.495176 0.417407 0.621287 -0.0277323  -0.194755   -0.129427   39  ARG   B O    
397  C CB   . ARG   A 27  ? 0.468301 0.44506  0.664581 -0.059287   -0.226158   -0.121659   39  ARG   B CB   
398  C CG   . ARG   A 27  ? 0.525687 0.475323 0.723381 -0.0747111  -0.250503   -0.138738   39  ARG   B CG   
399  C CD   . ARG   A 27  ? 0.546812 0.50019  0.791498 -0.102085   -0.254194   -0.129264   39  ARG   B CD   
400  N NE   . ARG   A 27  ? 0.571006 0.50016  0.815986 -0.104352   -0.23474    -0.116925   39  ARG   B NE   
401  C CZ   . ARG   A 27  ? 0.551782 0.489372 0.831864 -0.125043   -0.226501   -0.099548   39  ARG   B CZ   
402  N NH1  . ARG   A 27  ? 0.531086 0.442289 0.804815 -0.126565   -0.211522   -0.0870606  39  ARG   B NH1  
403  N NH2  . ARG   A 27  ? 0.515824 0.49125  0.838577 -0.144974   -0.232973   -0.0934279  39  ARG   B NH2  
404  H H    . ARG   A 27  ? 0.398136 0.383118 0.541857 -0.0218292  -0.185852   -0.107793   39  ARG   B H    
405  H HA   . ARG   A 27  ? 0.469627 0.438233 0.605141 -0.0349556  -0.236505   -0.139008   39  ARG   B HA   
406  H HB2  . ARG   A 27  ? 0.447871 0.455287 0.668401 -0.0627392  -0.227822   -0.114051   39  ARG   B HB2  
407  H HB3  . ARG   A 27  ? 0.449995 0.419586 0.652423 -0.0613245  -0.211957   -0.11282    39  ARG   B HB3  
408  H HG2  . ARG   A 27  ? 0.544349 0.462352 0.715929 -0.0682578  -0.24902    -0.148317   39  ARG   B HG2  
409  H HG3  . ARG   A 27  ? 0.540308 0.499527 0.732864 -0.0741621  -0.266349   -0.147229   39  ARG   B HG3  
410  H HD2  . ARG   A 27  ? 0.582096 0.518414 0.827499 -0.113123   -0.271971   -0.140998   39  ARG   B HD2  
411  H HD3  . ARG   A 27  ? 0.530546 0.519717 0.804041 -0.107717   -0.252572   -0.119621   39  ARG   B HD3  
412  H HE   . ARG   A 27  ? 0.561753 0.470597 0.782332 -0.0918547  -0.228306   -0.120495   39  ARG   B HE   
413  H HH11 . ARG   A 27  ? 0.525887 0.429363 0.77961  -0.111553   -0.201694   -0.0858266  39  ARG   B HH11 
414  H HH12 . ARG   A 27  ? 0.551498 0.453378 0.840877 -0.14303    -0.21228    -0.0796769  39  ARG   B HH12 
415  H HH21 . ARG   A 27  ? 0.545053 0.521128 0.876551 -0.154098   -0.250063   -0.102947   39  ARG   B HH21 
416  H HH22 . ARG   A 27  ? 0.504852 0.505827 0.847779 -0.149161   -0.220097   -0.0803899  39  ARG   B HH22 
417  N N    . VAL   A 28  ? 0.533007 0.43572  0.620087 -0.0249085  -0.226535   -0.161089   40  VAL   B N    
418  C CA   . VAL   A 28  ? 0.55485  0.423251 0.614412 -0.0136647  -0.218101   -0.174556   40  VAL   B CA   
419  C C    . VAL   A 28  ? 0.610081 0.449283 0.693189 -0.0252619  -0.223275   -0.17566    40  VAL   B C    
420  O O    . VAL   A 28  ? 0.594167 0.427149 0.699622 -0.0444148  -0.241562   -0.177468   40  VAL   B O    
421  C CB   . VAL   A 28  ? 0.652029 0.504732 0.664255 -0.00280873 -0.227259   -0.19744    40  VAL   B CB   
422  C CG1  . VAL   A 28  ? 0.748779 0.563465 0.734885 0.0080245   -0.223693   -0.219003   40  VAL   B CG1  
423  C CG2  . VAL   A 28  ? 0.654613 0.531019 0.639122 0.0103691   -0.213731   -0.189838   40  VAL   B CG2  
424  H H    . VAL   A 28  ? 0.548272 0.455716 0.630387 -0.0279356  -0.241573   -0.167971   40  VAL   B H    
425  H HA   . VAL   A 28  ? 0.548227 0.425124 0.603928 -0.00473031 -0.201053   -0.16602    40  VAL   B HA   
426  H HB   . VAL   A 28  ? 0.673538 0.526071 0.688234 -0.0120248  -0.245919   -0.203544   40  VAL   B HB   
427  H HG11 . VAL   A 28  ? 0.711588 0.527512 0.702944 0.0160285   -0.207435   -0.212702   40  VAL   B HG11 
428  H HG12 . VAL   A 28  ? 0.752941 0.546254 0.749995 -0.00072271 -0.236401   -0.226441   40  VAL   B HG12 
429  H HG13 . VAL   A 28  ? 0.75401  0.564137 0.70689  0.0159016   -0.225076   -0.231963   40  VAL   B HG13 
430  H HG21 . VAL   A 28  ? 0.678314 0.545083 0.629871 0.0158845   -0.219212   -0.202955   40  VAL   B HG21 
431  H HG22 . VAL   A 28  ? 0.629131 0.526769 0.629059 0.00560191  -0.217815   -0.177847   40  VAL   B HG22 
432  H HG23 . VAL   A 28  ? 0.628689 0.507665 0.612394 0.0176774   -0.1958     -0.183832   40  VAL   B HG23 
433  N N    . GLY   A 29  ? 0.588316 0.410713 0.666457 -0.013519   -0.207316   -0.173365   41  GLY   B N    
434  C CA   . GLY   A 29  ? 0.606752 0.392481 0.69855  -0.018115   -0.210747   -0.173634   41  GLY   B CA   
435  C C    . GLY   A 29  ? 0.729529 0.470879 0.794769 -0.00705249 -0.220763   -0.201038   41  GLY   B C    
436  O O    . GLY   A 29  ? 0.709589 0.450012 0.744339 0.0010506   -0.225861   -0.220991   41  GLY   B O    
437  H H    . GLY   A 29  ? 0.57379  0.408061 0.639415 -0.00173524 -0.194296   -0.170963   41  GLY   B H    
438  H HA2  . GLY   A 29  ? 0.624997 0.409442 0.738446 -0.0353247  -0.219603   -0.166242   41  GLY   B HA2  
439  H HA3  . GLY   A 29  ? 0.60138  0.39161  0.698835 -0.0116567  -0.197608   -0.162386   41  GLY   B HA3  
440  N N    . ASN   A 30  ? 0.77518  0.477169 0.849527 -0.00561029 -0.223188   -0.201488   42  ASN   B N    
441  C CA   . ASN   A 30  ? 0.763099 0.413626 0.817471 0.00460471  -0.234205   -0.227514   42  ASN   B CA   
442  C C    . ASN   A 30  ? 0.779431 0.417716 0.831138 0.0308119   -0.218894   -0.228208   42  ASN   B C    
443  O O    . ASN   A 30  ? 0.72995  0.384402 0.802494 0.0311941   -0.20838    -0.204586   42  ASN   B O    
444  C CB   . ASN   A 30  ? 0.760903 0.368642 0.830915 -0.0192125  -0.256213   -0.228328   42  ASN   B CB   
445  H H    . ASN   A 30  ? 0.733422 0.439237 0.826143 -0.010636   -0.217819   -0.184392   42  ASN   B H    
446  H HA   . ASN   A 30  ? 0.785628 0.43823  0.816866 0.0103639   -0.237284   -0.244984   42  ASN   B HA   
449  N N    . GLY   A 31  ? 0.869913 0.47835  0.897727 0.0527077   -0.219033   -0.255817   43  GLY   B N    
450  C CA   . GLY   A 31  ? 0.884957 0.477604 0.917057 0.0792454   -0.208734   -0.259822   43  GLY   B CA   
451  C C    . GLY   A 31  ? 0.87715  0.51902  0.90364  0.100454    -0.184352   -0.259989   43  GLY   B C    
452  O O    . GLY   A 31  ? 0.924567 0.609919 0.943614 0.0925559   -0.174516   -0.251721   43  GLY   B O    
453  H H    . GLY   A 31  ? 0.885021 0.483555 0.893178 0.0517779   -0.226151   -0.273679   43  GLY   B H    
454  H HA2  . GLY   A 31  ? 0.938559 0.495175 0.957455 0.0888103   -0.215868   -0.280673   43  GLY   B HA2  
455  H HA3  . GLY   A 31  ? 0.882431 0.465862 0.934909 0.0738164   -0.211402   -0.241855   43  GLY   B HA3  
456  N N    . GLU   A 32  ? 0.912893 0.546406 0.945236 0.127664    -0.175386   -0.26925    44  GLU   B N    
457  C CA   . GLU   A 32  ? 0.937001 0.616926 0.970281 0.148424    -0.151983   -0.271636   44  GLU   B CA   
458  C C    . GLU   A 32  ? 0.800329 0.510595 0.866091 0.148272    -0.145034   -0.24181    44  GLU   B C    
459  O O    . GLU   A 32  ? 0.741672 0.499963 0.81126  0.153534    -0.127086   -0.235695   44  GLU   B O    
460  C CB   . GLU   A 32  ? 0.970222 0.626567 0.989862 0.178137    -0.147053   -0.30519    44  GLU   B CB   
461  H H    . GLU   A 32  ? 0.952004 0.549225 0.989797 0.133206    -0.184847   -0.274137   44  GLU   B H    
462  H HA   . GLU   A 32  ? 0.886912 0.59304  0.904419 0.141277    -0.144536   -0.272686   44  GLU   B HA   
465  N N    . GLU   A 33  ? 0.753141 0.433388 0.839367 0.141205    -0.159622   -0.22325    45  GLU   B N    
466  C CA   . GLU   A 33  ? 0.733797 0.435413 0.844752 0.141463    -0.156487   -0.195971   45  GLU   B CA   
467  C C    . GLU   A 33  ? 0.735001 0.475015 0.847024 0.116534    -0.14949    -0.172277   45  GLU   B C    
468  O O    . GLU   A 33  ? 0.655517 0.38914  0.760309 0.0939309   -0.155629   -0.166957   45  GLU   B O    
469  C CB   . GLU   A 33  ? 0.781437 0.433304 0.905627 0.138936    -0.17511    -0.181179   45  GLU   B CB   
470  H H    . GLU   A 33  ? 0.802249 0.445383 0.884482 0.134947    -0.172653   -0.227782   45  GLU   B H    
471  H HA   . GLU   A 33  ? 0.736292 0.460169 0.854248 0.159687    -0.146729   -0.201679   45  GLU   B HA   
474  N N    . THR   A 34  ? 0.634239 0.414139 0.758649 0.121503    -0.137695   -0.157652   46  THR   B N    
475  C CA   . THR   A 34  ? 0.576367 0.385659 0.702941 0.100657    -0.131811   -0.133874   46  THR   B CA   
476  C C    . THR   A 34  ? 0.56665  0.37768  0.710271 0.103645    -0.135564   -0.112568   46  THR   B C    
477  O O    . THR   A 34  ? 0.655783 0.456686 0.811347 0.124941    -0.140647   -0.117717   46  THR   B O    
478  C CB   . THR   A 34  ? 0.530544 0.386295 0.64747  0.0999224   -0.11387    -0.137316   46  THR   B CB   
479  O OG1  . THR   A 34  ? 0.544978 0.422159 0.671462 0.12072     -0.104729   -0.14603    46  THR   B OG1  
480  C CG2  . THR   A 34  ? 0.560262 0.417879 0.654064 0.0967018   -0.110156   -0.154867   46  THR   B CG2  
481  H H    . THR   A 34  ? 0.649524 0.438707 0.781629 0.138526    -0.13338    -0.163681   46  THR   B H    
482  H HA   . THR   A 34  ? 0.579875 0.375067 0.702665 0.0849354   -0.13813    -0.1286     46  THR   B HA   
483  H HB   . THR   A 34  ? 0.511665 0.38336  0.630941 0.0879709   -0.110513   -0.121449   46  THR   B HB   
485  H HG21 . THR   A 34  ? 0.5321   0.417042 0.618905 0.0953433   -0.0987582  -0.153225   46  THR   B HG21 
486  H HG22 . THR   A 34  ? 0.581239 0.425167 0.669312 0.109184    -0.111482   -0.172201   46  THR   B HG22 
487  H HG23 . THR   A 34  ? 0.554962 0.39966  0.645683 0.0833858   -0.118255   -0.150497   46  THR   B HG23 
488  N N    . PRO   A 35  ? 0.565359 0.381874 0.709667 0.0834203   -0.136241   -0.0884905  47  PRO   B N    
489  C CA   . PRO   A 35  ? 0.607876 0.420432 0.760598 0.0839511   -0.142257   -0.0671924  47  PRO   B CA   
490  C C    . PRO   A 35  ? 0.653192 0.503184 0.816477 0.101107    -0.135806   -0.0679309  47  PRO   B C    
491  O O    . PRO   A 35  ? 0.519159 0.408747 0.681131 0.102414    -0.12107    -0.0769934  47  PRO   B O    
492  C CB   . PRO   A 35  ? 0.622239 0.444392 0.76745  0.0577224   -0.137461   -0.0464885  47  PRO   B CB   
493  C CG   . PRO   A 35  ? 0.584851 0.401829 0.724906 0.0431139   -0.135603   -0.0558595  47  PRO   B CG   
494  C CD   . PRO   A 35  ? 0.540855 0.371153 0.676635 0.0604901   -0.130372   -0.0812942  47  PRO   B CD   
495  H HA   . PRO   A 35  ? 0.650802 0.43004  0.806393 0.0883539   -0.153813   -0.0654675  47  PRO   B HA   
496  H HB2  . PRO   A 35  ? 0.578899 0.430391 0.722332 0.0564279   -0.128501   -0.0424644  47  PRO   B HB2  
497  H HB3  . PRO   A 35  ? 0.622636 0.424874 0.767813 0.0515498   -0.144807   -0.0318587  47  PRO   B HB3  
498  H HG2  . PRO   A 35  ? 0.559159 0.395186 0.696597 0.0306709   -0.128253   -0.0478592  47  PRO   B HG2  
499  H HG3  . PRO   A 35  ? 0.608319 0.395778 0.750168 0.0370376   -0.145068   -0.0546922  47  PRO   B HG3  
500  H HD2  . PRO   A 35  ? 0.521711 0.381371 0.653606 0.0604521   -0.119783   -0.0816291  47  PRO   B HD2  
501  H HD3  . PRO   A 35  ? 0.56135  0.378229 0.692665 0.0568848   -0.134466   -0.0917034  47  PRO   B HD3  
502  N N    . MET   A 36  ? 0.6691   0.506342 0.843767 0.114039    -0.148082   -0.0580876  48  MET   B N    
503  C CA   . MET   A 36  ? 0.634561 0.513192 0.824224 0.127626    -0.144497   -0.0571761  48  MET   B CA   
504  C C    . MET   A 36  ? 0.635167 0.513638 0.821761 0.118256    -0.154333   -0.030997   48  MET   B C    
505  O O    . MET   A 36  ? 0.667215 0.508531 0.84016  0.105028    -0.163716   -0.0139765  48  MET   B O    
506  C CB   . MET   A 36  ? 0.667145 0.547619 0.87819  0.158624    -0.148213   -0.0762015  48  MET   B CB   
507  C CG   . MET   A 36  ? 0.671774 0.568977 0.879207 0.164479    -0.131554   -0.102837   48  MET   B CG   
508  S SD   . MET   A 36  ? 0.665246 0.563623 0.89824  0.203932    -0.133266   -0.127943   48  MET   B SD   
509  C CE   . MET   A 36  ? 0.651685 0.46957  0.874947 0.207421    -0.157089   -0.123323   48  MET   B CE   
510  H H    . MET   A 36  ? 0.693525 0.49735  0.867212 0.114137    -0.159326   -0.0516783  48  MET   B H    
511  H HA   . MET   A 36  ? 0.60977  0.5187   0.795978 0.120817    -0.131518   -0.0620484  48  MET   B HA   
512  H HB2  . MET   A 36  ? 0.699649 0.542708 0.911426 0.166312    -0.160699   -0.0749215  48  MET   B HB2  
513  H HB3  . MET   A 36  ? 0.658451 0.566223 0.884217 0.167322    -0.149176   -0.07248    48  MET   B HB3  
514  H HG2  . MET   A 36  ? 0.630381 0.562719 0.836432 0.157068    -0.119321   -0.103049   48  MET   B HG2  
515  H HG3  . MET   A 36  ? 0.668102 0.540035 0.860509 0.15514     -0.132277   -0.106685   48  MET   B HG3  
516  H HE1  . MET   A 36  ? 0.697113 0.498107 0.922603 0.224367    -0.157303   -0.142221   48  MET   B HE1  
517  H HE2  . MET   A 36  ? 0.665158 0.464883 0.870813 0.186898    -0.157797   -0.116758   48  MET   B HE2  
518  H HE3  . MET   A 36  ? 0.680681 0.488905 0.913469 0.212501    -0.169341   -0.108551   48  MET   B HE3  
519  N N    . ILE   A 37  ? 0.545143 0.466915 0.742985 0.123238    -0.15145    -0.028449   49  ILE   B N    
520  C CA   . ILE   A 37  ? 0.48381  0.409322 0.67289  0.112367    -0.160727   -0.00515683 49  ILE   B CA   
521  C C    . ILE   A 37  ? 0.491375 0.371415 0.680343 0.123197    -0.183072   0.00916125  49  ILE   B C    
522  O O    . ILE   A 37  ? 0.560652 0.431021 0.771073 0.149481    -0.193478   -0.00101228 49  ILE   B O    
523  C CB   . ILE   A 37  ? 0.499234 0.477564 0.706362 0.119323    -0.159052   -0.00802701 49  ILE   B CB   
524  C CG1  . ILE   A 37  ? 0.586507 0.602996 0.790424 0.106516    -0.136727   -0.0206716  49  ILE   B CG1  
525  C CG2  . ILE   A 37  ? 0.475662 0.455127 0.673359 0.11227     -0.175112   0.0150258   49  ILE   B CG2  
526  C CD1  . ILE   A 37  ? 0.665254 0.683801 0.875725 0.116253    -0.122714   -0.0436794  49  ILE   B CD1  
527  H H    . ILE   A 37  ? 0.53931  0.486903 0.750335 0.133816    -0.144781   -0.0415517  49  ILE   B H    
528  H HA   . ILE   A 37  ? 0.480411 0.402214 0.651503 0.0935491   -0.154084   0.00264284  49  ILE   B HA   
529  H HB   . ILE   A 37  ? 0.516065 0.501942 0.744806 0.139061    -0.163543   -0.0177913  49  ILE   B HB   
530  H HG12 . ILE   A 37  ? 0.558053 0.60663  0.773937 0.108226    -0.136481   -0.0213199  49  ILE   B HG12 
531  H HG13 . ILE   A 37  ? 0.559636 0.567694 0.743194 0.0890347   -0.131603   -0.0127744  49  ILE   B HG13 
532  H HG21 . ILE   A 37  ? 0.468621 0.48299  0.673645 0.109762    -0.172106   0.0128852   49  ILE   B HG21 
533  H HG22 . ILE   A 37  ? 0.488264 0.448249 0.662246 0.0955274   -0.173199   0.0263847   49  ILE   B HG22 
534  H HG23 . ILE   A 37  ? 0.513234 0.477555 0.720257 0.126815    -0.190553   0.020358    49  ILE   B HG23 
535  H HD11 . ILE   A 37  ? 0.638063 0.631526 0.833063 0.108168    -0.1203     -0.0436175  49  ILE   B HD11 
536  H HD12 . ILE   A 37  ? 0.617002 0.66513  0.829239 0.111638    -0.110476   -0.0505101  49  ILE   B HD12 
537  H HD13 . ILE   A 37  ? 0.653093 0.668987 0.880523 0.134883    -0.128385   -0.0518673  49  ILE   B HD13 
538  N N    . GLY   A 38  ? 0.501796 0.35617  0.665662 0.103684    -0.189552   0.0331695   50  GLY   B N    
539  C CA   . GLY   A 38  ? 0.606825 0.412978 0.760746 0.107436    -0.210563   0.0535113   50  GLY   B CA   
540  C C    . GLY   A 38  ? 0.67279  0.426314 0.811977 0.0929179   -0.210163   0.0583447   50  GLY   B C    
541  O O    . GLY   A 38  ? 0.70809  0.417333 0.829369 0.084978    -0.223618   0.0809517   50  GLY   B O    
542  H H    . GLY   A 38  ? 0.494172 0.361068 0.64465  0.0867328   -0.179539   0.0374448   50  GLY   B H    
543  H HA2  . GLY   A 38  ? 0.605038 0.415466 0.743965 0.0977054   -0.21487    0.0700402   50  GLY   B HA2  
544  H HA3  . GLY   A 38  ? 0.619069 0.421941 0.790425 0.12927     -0.222082   0.0485499   50  GLY   B HA3  
545  N N    . ASP   A 39  ? 0.612326 0.368984 0.759604 0.0905633   -0.197158   0.0371617   51  ASP   B N    
546  C CA   . ASP   A 39  ? 0.648105 0.358328 0.787575 0.0771134   -0.198983   0.0374853   51  ASP   B CA   
547  C C    . ASP   A 39  ? 0.632863 0.338005 0.750907 0.0443783   -0.191192   0.0594399   51  ASP   B C    
548  O O    . ASP   A 39  ? 0.609481 0.354203 0.720124 0.0322147   -0.176881   0.0629752   51  ASP   B O    
549  C CB   . ASP   A 39  ? 0.624791 0.346335 0.773838 0.0784105   -0.187217   0.0100203   51  ASP   B CB   
550  C CG   . ASP   A 39  ? 0.64431  0.358052 0.810255 0.108958    -0.19306    -0.0147954  51  ASP   B CG   
551  O OD1  . ASP   A 39  ? 0.615732 0.313819 0.791516 0.131557    -0.207376   -0.0109893  51  ASP   B OD1  
552  O OD2  . ASP   A 39  ? 0.651643 0.378261 0.820208 0.111467    -0.182811   -0.0380513  51  ASP   B OD2  
553  H H    . ASP   A 39  ? 0.592856 0.380811 0.749945 0.0963429   -0.18759    0.0223894   51  ASP   B H    
554  H HA   . ASP   A 39  ? 0.684552 0.358338 0.825292 0.0872332   -0.213149   0.0416594   51  ASP   B HA   
555  H HB2  . ASP   A 39  ? 0.587841 0.346277 0.736601 0.072978    -0.174519   0.0054486   51  ASP   B HB2  
556  H HB3  . ASP   A 39  ? 0.639111 0.336429 0.782198 0.0636092   -0.187785   0.0122145   51  ASP   B HB3  
557  N N    . LYS   A 40  ? 0.69356  0.348396 0.802774 0.0298066   -0.199339   0.0720039   52  LYS   B N    
558  C CA   . LYS   A 40  ? 0.664528 0.316504 0.758828 -0.0029207  -0.188674   0.0897864   52  LYS   B CA   
559  C C    . LYS   A 40  ? 0.641905 0.308926 0.75015  -0.0151234  -0.176738   0.0708497   52  LYS   B C    
560  O O    . LYS   A 40  ? 0.671882 0.31245  0.79114  -0.0090279  -0.185128   0.0545301   52  LYS   B O    
561  C CB   . LYS   A 40  ? 0.777624 0.369558 0.85582  -0.0156074  -0.202929   0.114861    52  LYS   B CB   
562  C CG   . LYS   A 40  ? 0.789908 0.377777 0.851726 -0.0521692  -0.190305   0.137294    52  LYS   B CG   
563  C CD   . LYS   A 40  ? 0.922813 0.445158 0.964938 -0.0637395  -0.20591    0.164042    52  LYS   B CD   
564  C CE   . LYS   A 40  ? 0.984299 0.499269 1.01032  -0.102223   -0.192222   0.187846    52  LYS   B CE   
565  N NZ   . LYS   A 40  ? 1.07978  0.525208 1.085    -0.11626    -0.207209   0.214385    52  LYS   B NZ   
566  H H    . LYS   A 40  ? 0.715876 0.337805 0.829292 0.0403463   -0.211219   0.0690538   52  LYS   B H    
567  H HA   . LYS   A 40  ? 0.657227 0.337359 0.742276 -0.00828142 -0.18028    0.097716    52  LYS   B HA   
568  H HB2  . LYS   A 40  ? 0.785847 0.36827  0.854929 -0.00404143 -0.213154   0.125907    52  LYS   B HB2  
569  H HB3  . LYS   A 40  ? 0.790897 0.351823 0.87772  -0.0106065  -0.211745   0.105942    52  LYS   B HB3  
570  H HG2  . LYS   A 40  ? 0.785169 0.382939 0.859663 -0.0636479  -0.181973   0.126882    52  LYS   B HG2  
571  H HG3  . LYS   A 40  ? 0.780789 0.397783 0.831618 -0.0566406  -0.180631   0.144802    52  LYS   B HG3  
572  H HD2  . LYS   A 40  ? 0.934895 0.448299 0.963638 -0.0509764  -0.215803   0.174994    52  LYS   B HD2  
573  H HD3  . LYS   A 40  ? 0.940985 0.431081 0.993582 -0.0573671  -0.216721   0.15493     52  LYS   B HD3  
574  H HE2  . LYS   A 40  ? 0.957321 0.488523 1.0003   -0.114622   -0.182351   0.176728    52  LYS   B HE2  
575  H HE3  . LYS   A 40  ? 0.962325 0.504704 0.97406  -0.107119   -0.181856   0.197103    52  LYS   B HE3  
576  H HZ1  . LYS   A 40  ? 1.09373  0.510849 1.11145  -0.114124   -0.216257   0.205383    52  LYS   B HZ1  
577  H HZ2  . LYS   A 40  ? 1.09795  0.52654  1.08735  -0.102974   -0.218564   0.225031    52  LYS   B HZ2  
578  H HZ3  . LYS   A 40  ? 1.08814  0.534629 1.08303  -0.140637   -0.196347   0.229346    52  LYS   B HZ3  
579  N N    . VAL   A 41  ? 0.596352 0.307645 0.703478 -0.0297873  -0.158051   0.0709349   53  VAL   B N    
580  C CA   . VAL   A 41  ? 0.605846 0.339749 0.727386 -0.0374778  -0.148328   0.0529253   53  VAL   B CA   
581  C C    . VAL   A 41  ? 0.580592 0.320699 0.703429 -0.0677786  -0.137639   0.067089    53  VAL   B C    
582  O O    . VAL   A 41  ? 0.597277 0.349999 0.706902 -0.080549   -0.126903   0.0859977   53  VAL   B O    
583  C CB   . VAL   A 41  ? 0.486947 0.269696 0.609927 -0.0244667  -0.135853   0.0387032   53  VAL   B CB   
584  C CG1  . VAL   A 41  ? 0.498152 0.303545 0.632232 -0.0308872  -0.127603   0.0224897   53  VAL   B CG1  
585  C CG2  . VAL   A 41  ? 0.585483 0.370175 0.712064 0.00306704  -0.143313   0.0243569   53  VAL   B CG2  
586  H H    . VAL   A 41  ? 0.596943 0.323244 0.693178 -0.0342249  -0.152268   0.0823689   53  VAL   B H    
587  H HA   . VAL   A 41  ? 0.594779 0.308679 0.724023 -0.0312145  -0.157004   0.0406091   53  VAL   B HA   
588  H HB   . VAL   A 41  ? 0.511629 0.310523 0.625272 -0.0306617  -0.128128   0.0501604   53  VAL   B HB   
589  H HG11 . VAL   A 41  ? 0.505712 0.290343 0.646552 -0.0324037  -0.13588    0.0151482   53  VAL   B HG11 
590  H HG12 . VAL   A 41  ? 0.476436 0.296096 0.610658 -0.045288   -0.118843   0.0309746   53  VAL   B HG12 
591  H HG13 . VAL   A 41  ? 0.463387 0.289571 0.597202 -0.0191508  -0.123232   0.010871    53  VAL   B HG13 
592  H HG21 . VAL   A 41  ? 0.520445 0.335122 0.647903 0.00819417  -0.134513   0.0155093   53  VAL   B HG21 
593  H HG22 . VAL   A 41  ? 0.566045 0.341954 0.687438 0.00839408  -0.149478   0.035238    53  VAL   B HG22 
594  H HG23 . VAL   A 41  ? 0.568277 0.333277 0.701474 0.0102977   -0.150766   0.0128969   53  VAL   B HG23 
595  N N    . TYR   A 42  ? 0.596044 0.330443 0.735724 -0.079294   -0.14026    0.0561748   54  TYR   B N    
596  C CA   . TYR   A 42  ? 0.564904 0.307978 0.715715 -0.108795   -0.131955   0.0671684   54  TYR   B CA   
597  C C    . TYR   A 42  ? 0.510182 0.299489 0.679836 -0.10919    -0.122872   0.0496399   54  TYR   B C    
598  O O    . TYR   A 42  ? 0.489504 0.276187 0.667293 -0.098765   -0.132745   0.028525    54  TYR   B O    
599  C CB   . TYR   A 42  ? 0.63644  0.332818 0.795928 -0.126141   -0.14671    0.0698479   54  TYR   B CB   
600  C CG   . TYR   A 42  ? 0.688225 0.329188 0.82775  -0.126293   -0.158469   0.0892732   54  TYR   B CG   
601  C CD1  . TYR   A 42  ? 0.729604 0.337494 0.859673 -0.0980715  -0.174356   0.0799914   54  TYR   B CD1  
602  C CD2  . TYR   A 42  ? 0.75789  0.378491 0.888428 -0.154006   -0.154113   0.11692     54  TYR   B CD2  
603  C CE1  . TYR   A 42  ? 0.802764 0.358544 0.915386 -0.0944622  -0.187861   0.0985754   54  TYR   B CE1  
604  C CE2  . TYR   A 42  ? 0.80113  0.364023 0.909618 -0.154115   -0.167663   0.136553    54  TYR   B CE2  
605  C CZ   . TYR   A 42  ? 0.844555 0.374748 0.944321 -0.122865   -0.185723   0.127598    54  TYR   B CZ   
606  O OH   . TYR   A 42  ? 0.996475 0.468339 1.0748   -0.119697   -0.201421   0.148358    54  TYR   B OH   
607  H H    . TYR   A 42  ? 0.585589 0.312111 0.730946 -0.0684223  -0.147726   0.0403526   54  TYR   B H    
608  H HA   . TYR   A 42  ? 0.575904 0.326699 0.716951 -0.118063   -0.122493   0.0838265   54  TYR   B HA   
609  H HB2  . TYR   A 42  ? 0.630859 0.318973 0.79754  -0.116867   -0.156103   0.0516745   54  TYR   B HB2  
610  H HB3  . TYR   A 42  ? 0.632097 0.341944 0.803188 -0.147257   -0.139784   0.0765154   54  TYR   B HB3  
611  H HD1  . TYR   A 42  ? 0.70436  0.328051 0.839576 -0.079925   -0.175175   0.0616398   54  TYR   B HD1  
612  H HD2  . TYR   A 42  ? 0.737082 0.38221  0.877018 -0.173341   -0.142081   0.122527    54  TYR   B HD2  
613  H HE1  . TYR   A 42  ? 0.811132 0.347499 0.920947 -0.0730255  -0.198744   0.0914434   54  TYR   B HE1  
614  H HE2  . TYR   A 42  ? 0.841553 0.389626 0.940307 -0.174306   -0.163843   0.156876    54  TYR   B HE2  
616  N N    . VAL   A 43  ? 0.499126 0.328523 0.672882 -0.119972   -0.104419   0.058668    55  VAL   B N    
617  C CA   . VAL   A 43  ? 0.470543 0.341695 0.663259 -0.117655   -0.0980085  0.0434746   55  VAL   B CA   
618  C C    . VAL   A 43  ? 0.465805 0.368979 0.68064  -0.140674   -0.0840586  0.0538182   55  VAL   B C    
619  O O    . VAL   A 43  ? 0.479402 0.378724 0.688101 -0.157756   -0.0728436  0.0739677   55  VAL   B O    
620  C CB   . VAL   A 43  ? 0.405985 0.304647 0.584617 -0.0962785  -0.0881334  0.0354527   55  VAL   B CB   
621  C CG1  . VAL   A 43  ? 0.422571 0.300203 0.584852 -0.0742501  -0.098722   0.024687    55  VAL   B CG1  
622  C CG2  . VAL   A 43  ? 0.423782 0.342671 0.589728 -0.101478   -0.0692118  0.050817    55  VAL   B CG2  
623  H H    . VAL   A 43  ? 0.505317 0.335215 0.669266 -0.127557   -0.096388   0.0734998   55  VAL   B H    
624  H HA   . VAL   A 43  ? 0.46899  0.330608 0.669992 -0.114746   -0.109579   0.0306962   55  VAL   B HA   
625  H HB   . VAL   A 43  ? 0.400601 0.32045  0.590733 -0.0936933  -0.0870249  0.0252013   55  VAL   B HB   
626  H HG11 . VAL   A 43  ? 0.43395  0.293893 0.585404 -0.0736857  -0.100667   0.0347033   55  VAL   B HG11 
627  H HG12 . VAL   A 43  ? 0.429191 0.291947 0.59758  -0.0715293  -0.109582   0.0141607   55  VAL   B HG12 
628  H HG13 . VAL   A 43  ? 0.393717 0.290633 0.550176 -0.0634387  -0.0927304  0.0181074   55  VAL   B HG13 
629  H HG21 . VAL   A 43  ? 0.399364 0.325067 0.552197 -0.0883933  -0.0662699  0.0464085   55  VAL   B HG21 
630  H HG22 . VAL   A 43  ? 0.405777 0.348649 0.585003 -0.109258   -0.0598454  0.0514148   55  VAL   B HG22 
631  H HG23 . VAL   A 43  ? 0.43928  0.339728 0.595988 -0.110183   -0.0695863  0.0641414   55  VAL   B HG23 
632  N N    . HIS   A 44  ? 0.434689 0.370896 0.67489  -0.140373   -0.0849385  0.040043    56  HIS   B N    
633  C CA   . HIS   A 44  ? 0.41095  0.395377 0.675384 -0.150178   -0.0681181  0.0444438   56  HIS   B CA   
634  C C    . HIS   A 44  ? 0.370622 0.383063 0.626751 -0.126029   -0.0606825  0.0329774   56  HIS   B C    
635  O O    . HIS   A 44  ? 0.37854  0.382066 0.623497 -0.108161   -0.072187   0.0184811   56  HIS   B O    
636  C CB   . HIS   A 44  ? 0.421436 0.42695  0.727673 -0.169311   -0.0765477  0.0395488   56  HIS   B CB   
637  C CG   . HIS   A 44  ? 0.478846 0.475492 0.799789 -0.20079    -0.071447   0.0573683   56  HIS   B CG   
638  N ND1  . HIS   A 44  ? 0.543768 0.553862 0.857655 -0.212389   -0.0477049  0.0766724   56  HIS   B ND1  
639  C CD2  . HIS   A 44  ? 0.518858 0.488393 0.853462 -0.223011   -0.0861253  0.0596414   56  HIS   B CD2  
640  C CE1  . HIS   A 44  ? 0.634319 0.62862  0.958885 -0.242336   -0.0471136  0.0918771   56  HIS   B CE1  
641  N NE2  . HIS   A 44  ? 0.618064 0.585626 0.956334 -0.249901   -0.0710495  0.0821322   56  HIS   B NE2  
642  H H    . HIS   A 44  ? 0.434306 0.363048 0.67678  -0.132696   -0.0969708  0.0270047   56  HIS   B H    
643  H HA   . HIS   A 44  ? 0.422192 0.407725 0.679938 -0.159735   -0.0553856  0.0584858   56  HIS   B HA   
644  H HB2  . HIS   A 44  ? 0.431751 0.420401 0.738059 -0.164874   -0.0933653  0.02784     56  HIS   B HB2  
645  H HB3  . HIS   A 44  ? 0.404726 0.447051 0.728084 -0.165316   -0.0691556  0.0357652   56  HIS   B HB3  
647  H HD2  . HIS   A 44  ? 0.541576 0.494466 0.880637 -0.22184    -0.103473   0.0479633   56  HIS   B HD2  
648  H HE1  . HIS   A 44  ? 0.627937 0.627395 0.948654 -0.256634   -0.0319445  0.10699     56  HIS   B HE1  
650  N N    . TYR   A 45  ? 0.369231 0.413424 0.627975 -0.126005   -0.0397274  0.0398407   57  TYR   B N    
651  C CA   . TYR   A 45  ? 0.31375  0.378821 0.563488 -0.104808   -0.0320295  0.0304248   57  TYR   B CA   
652  C C    . TYR   A 45  ? 0.290686 0.400632 0.566834 -0.106827   -0.0142746  0.03194     57  TYR   B C    
653  O O    . TYR   A 45  ? 0.339886 0.465406 0.628839 -0.124013   0.00122572  0.043695    57  TYR   B O    
654  C CB   . TYR   A 45  ? 0.285397 0.330117 0.494512 -0.093378   -0.0244715  0.0340668   57  TYR   B CB   
655  C CG   . TYR   A 45  ? 0.321729 0.370121 0.515183 -0.10342    -0.00473037 0.0487552   57  TYR   B CG   
656  C CD1  . TYR   A 45  ? 0.310519 0.384665 0.500465 -0.0976128  0.0149696   0.0473516   57  TYR   B CD1  
657  C CD2  . TYR   A 45  ? 0.338059 0.361626 0.517701 -0.118809   -0.00584711 0.0640782   57  TYR   B CD2  
658  C CE1  . TYR   A 45  ? 0.390572 0.466124 0.559281 -0.106341   0.033914    0.0585574   57  TYR   B CE1  
659  C CE2  . TYR   A 45  ? 0.408776 0.433745 0.566649 -0.128722   0.0117698   0.0781822   57  TYR   B CE2  
660  C CZ   . TYR   A 45  ? 0.352496 0.405028 0.504431 -0.123537   0.0327749   0.0749139   57  TYR   B CZ   
661  O OH   . TYR   A 45  ? 0.466717 0.518676 0.590802 -0.134152   0.0513448   0.0876271   57  TYR   B OH   
662  H H    . TYR   A 45  ? 0.371671 0.422767 0.63656  -0.139753   -0.0295258  0.0505215   57  TYR   B H    
663  H HA   . TYR   A 45  ? 0.303994 0.367119 0.556769 -0.0954499  -0.0444294  0.0194519   57  TYR   B HA   
664  H HB2  . TYR   A 45  ? 0.279867 0.332402 0.482385 -0.0797153  -0.023079   0.025955    57  TYR   B HB2  
665  H HB3  . TYR   A 45  ? 0.30431  0.324013 0.501755 -0.0921026  -0.0354099  0.0338124   57  TYR   B HB3  
666  H HD1  . TYR   A 45  ? 0.308234 0.396035 0.506263 -0.0860696  0.0150583   0.0379119   57  TYR   B HD1  
667  H HD2  . TYR   A 45  ? 0.363026 0.365398 0.544653 -0.121869   -0.0193926  0.0649559   57  TYR   B HD2  
668  H HE1  . TYR   A 45  ? 0.35566  0.447071 0.520949 -0.101003   0.0476095   0.0553109   57  TYR   B HE1  
669  H HE2  . TYR   A 45  ? 0.408851 0.414021 0.554303 -0.139275   0.00942674  0.0901321   57  TYR   B HE2  
671  N N    . LYS   A 46  ? 0.310694 0.438451 0.589686 -0.0871839  -0.0148804  0.0205246   58  LYS   B N    
672  C CA   . LYS   A 46  ? 0.298619 0.462421 0.593059 -0.0785827  0.00300219  0.0192736   58  LYS   B CA   
673  C C    . LYS   A 46  ? 0.308915 0.457719 0.566951 -0.0581022  0.00976863  0.0140089   58  LYS   B C    
674  O O    . LYS   A 46  ? 0.303132 0.433241 0.544103 -0.0457188  -0.00442958 0.00626266  58  LYS   B O    
675  C CB   . LYS   A 46  ? 0.249512 0.447499 0.585015 -0.0709459  -0.00858441 0.0098591   58  LYS   B CB   
676  H H    . LYS   A 46  ? 0.293602 0.408699 0.563266 -0.0777895  -0.027146   0.0129757   58  LYS   B H    
677  H HA   . LYS   A 46  ? 0.305343 0.480721 0.606249 -0.0898324  0.0176538   0.0272993   58  LYS   B HA   
680  N N    . GLY   A 47  ? 0.295391 0.447802 0.536418 -0.0570417  0.0314932   0.0183262   59  GLY   B N    
681  C CA   . GLY   A 47  ? 0.272364 0.406274 0.477529 -0.0408882  0.0366315   0.0126751   59  GLY   B CA   
682  C C    . GLY   A 47  ? 0.298944 0.453952 0.509276 -0.0290396  0.0564387   0.00808157  59  GLY   B C    
683  O O    . GLY   A 47  ? 0.362005 0.547027 0.597697 -0.035651   0.0722071   0.0113235   59  GLY   B O    
684  H H    . GLY   A 47  ? 0.304636 0.470116 0.554906 -0.0673947  0.0433539   0.0244998   59  GLY   B H    
685  H HA2  . GLY   A 47  ? 0.27359  0.397888 0.474695 -0.0318302  0.0239551   0.00683597  59  GLY   B HA2  
686  H HA3  . GLY   A 47  ? 0.288782 0.403752 0.468343 -0.0467245  0.0392488   0.0173649   59  GLY   B HA3  
687  N N    . LYS   A 48  ? 0.280474 0.418293 0.46539  -0.0120246  0.057391    0.000353    60  LYS   B N    
688  C CA   . LYS   A 48  ? 0.294071 0.442783 0.478242 0.00174084  0.0759607   -0.00579262 60  LYS   B CA   
689  C C    . LYS   A 48  ? 0.352292 0.465047 0.493372 0.0132244   0.0753659   -0.012055   60  LYS   B C    
690  O O    . LYS   A 48  ? 0.299415 0.388444 0.421997 0.0131109   0.0594481   -0.0121494  60  LYS   B O    
691  C CB   . LYS   A 48  ? 0.325591 0.508141 0.555261 0.0170842   0.0733015   -0.0113261  60  LYS   B CB   
692  C CG   . LYS   A 48  ? 0.329377 0.498523 0.559779 0.0293951   0.0484382   -0.01509    60  LYS   B CG   
693  C CD   . LYS   A 48  ? 0.337119 0.53874  0.60988  0.0472387   0.0425      -0.0197907  60  LYS   B CD   
694  C CE   . LYS   A 48  ? 0.404416 0.597495 0.679315 0.0576323   0.0156403   -0.0217387  60  LYS   B CE   
695  N NZ   . LYS   A 48  ? 0.485695 0.710956 0.800722 0.0780606   0.00912471  -0.0254599  60  LYS   B NZ   
696  H H    . LYS   A 48  ? 0.280486 0.398486 0.448167 -0.00911654 0.0466995   -0.00138872 60  LYS   B H    
697  H HA   . LYS   A 48  ? 0.321578 0.478251 0.502215 -0.00652669 0.0911539   -0.00246611 60  LYS   B HA   
698  H HB2  . LYS   A 48  ? 0.332521 0.520303 0.56107  0.0287288   0.0864883   -0.0162589  60  LYS   B HB2  
699  H HB3  . LYS   A 48  ? 0.316272 0.524981 0.576206 0.00750968  0.0744282   -0.00757242 60  LYS   B HB3  
700  H HG2  . LYS   A 48  ? 0.318446 0.483997 0.55132  0.0187216   0.0361147   -0.0119204  60  LYS   B HG2  
701  H HG3  . LYS   A 48  ? 0.333633 0.475709 0.533047 0.0362476   0.0478892   -0.0175626  60  LYS   B HG3  
702  H HD2  . LYS   A 48  ? 0.363563 0.564059 0.63144  0.0606905   0.054037    -0.0238075  60  LYS   B HD2  
703  H HD3  . LYS   A 48  ? 0.348014 0.580781 0.654127 0.0390953   0.0461728   -0.017704   60  LYS   B HD3  
704  H HE2  . LYS   A 48  ? 0.393261 0.589647 0.675705 0.0453405   0.00429156  -0.0196276  60  LYS   B HE2  
705  H HE3  . LYS   A 48  ? 0.407777 0.569901 0.648816 0.0632499   0.0127853   -0.0226777  60  LYS   B HE3  
706  H HZ1  . LYS   A 48  ? 0.455644 0.713591 0.805553 0.0719267   0.0122292   -0.0248382  60  LYS   B HZ1  
707  H HZ2  . LYS   A 48  ? 0.47232  0.691458 0.779685 0.0914217   0.0192397   -0.0280894  60  LYS   B HZ2  
708  H HZ3  . LYS   A 48  ? 0.462341 0.680835 0.774819 0.0835368   -0.00850745 -0.025792   60  LYS   B HZ3  
709  N N    . LEU   A 49  ? 0.343756 0.453574 0.469871 0.0223111   0.0942499   -0.0181207  61  LEU   B N    
710  C CA   . LEU   A 49  ? 0.384158 0.458638 0.474733 0.0348909   0.0926721   -0.0258279  61  LEU   B CA   
711  C C    . LEU   A 49  ? 0.394888 0.469981 0.505413 0.0531874   0.0779481   -0.0290034  61  LEU   B C    
712  O O    . LEU   A 49  ? 0.422071 0.529486 0.573873 0.0621538   0.0764598   -0.0293454  61  LEU   B O    
713  C CB   . LEU   A 49  ? 0.385575 0.451441 0.455103 0.0438497   0.114889    -0.0347443  61  LEU   B CB   
714  C CG   . LEU   A 49  ? 0.428404 0.497112 0.475178 0.0270366   0.132028    -0.0320043  61  LEU   B CG   
715  C CD1  . LEU   A 49  ? 0.463651 0.52309  0.488661 0.0398577   0.154838    -0.044864   61  LEU   B CD1  
716  C CD2  . LEU   A 49  ? 0.435558 0.477452 0.445776 0.00946103  0.12041     -0.025909   61  LEU   B CD2  
717  H H    . LEU   A 49  ? 0.36434  0.492305 0.500978 0.0204675   0.108405    -0.0179954  61  LEU   B H    
718  H HA   . LEU   A 49  ? 0.373249 0.427671 0.439992 0.0257954   0.0853331   -0.0232893  61  LEU   B HA   
719  H HB2  . LEU   A 49  ? 0.404414 0.490006 0.499728 0.0566369   0.12144     -0.0385749  61  LEU   B HB2  
720  H HB3  . LEU   A 49  ? 0.410659 0.447749 0.453939 0.0490954   0.11164     -0.0393362  61  LEU   B HB3  
721  H HG   . LEU   A 49  ? 0.418445 0.514415 0.490533 0.0203505   0.136347    -0.0262687  61  LEU   B HG   
722  H HD11 . LEU   A 49  ? 0.467609 0.545835 0.520496 0.0542834   0.160958    -0.0493417  61  LEU   B HD11 
723  H HD12 . LEU   A 49  ? 0.478725 0.543546 0.489439 0.0297883   0.167536    -0.0434072  61  LEU   B HD12 
724  H HD13 . LEU   A 49  ? 0.477572 0.506214 0.47437  0.0436548   0.150386    -0.0503511  61  LEU   B HD13 
725  H HD21 . LEU   A 49  ? 0.412736 0.46321  0.438781 0.00201209  0.108962    -0.0183581  61  LEU   B HD21 
726  H HD22 . LEU   A 49  ? 0.437022 0.455585 0.42838  0.0139424   0.113709    -0.0305384  61  LEU   B HD22 
727  H HD23 . LEU   A 49  ? 0.45009  0.489236 0.439356 0.00093219  0.130628    -0.0249427  61  LEU   B HD23 
728  N N    . SER   A 50  ? 0.379546 0.42022  0.460654 0.0576797   0.0665166   -0.0304727  62  SER   B N    
729  C CA   . SER   A 50  ? 0.44067  0.478393 0.533814 0.0731469   0.0504834   -0.0306858  62  SER   B CA   
730  C C    . SER   A 50  ? 0.496489 0.541985 0.608027 0.097156    0.0573829   -0.0364755  62  SER   B C    
731  O O    . SER   A 50  ? 0.54524  0.60579  0.683278 0.110584    0.0432617   -0.0351168  62  SER   B O    
732  C CB   . SER   A 50  ? 0.477263 0.477164 0.533207 0.0709871   0.0397887   -0.0294673  62  SER   B CB   
733  O OG   . SER   A 50  ? 0.603604 0.569804 0.624571 0.0735913   0.0513707   -0.0342872  62  SER   B OG   
734  H H    . SER   A 50  ? 0.403705 0.423285 0.456799 0.0503974   0.068355    -0.0308038  62  SER   B H    
735  H HA   . SER   A 50  ? 0.422385 0.48118  0.539479 0.0692496   0.0411091   -0.0274801  62  SER   B HA   
736  H HB2  . SER   A 50  ? 0.494685 0.492258 0.555875 0.0805806   0.0288492   -0.0283476  62  SER   B HB2  
737  H HB3  . SER   A 50  ? 0.477435 0.477336 0.526945 0.0576988   0.0355753   -0.0266237  62  SER   B HB3  
739  N N    . ASN   A 51  ? 0.520552 0.555921 0.617542 0.1031      0.0775714   -0.0435539  63  ASN   B N    
740  C CA   . ASN   A 51  ? 0.647264 0.693178 0.764156 0.127847    0.0898768   -0.0518818  63  ASN   B CA   
741  C C    . ASN   A 51  ? 0.62789  0.733463 0.799473 0.12974     0.100892    -0.0523793  63  ASN   B C    
742  O O    . ASN   A 51  ? 0.647255 0.76978  0.837808 0.148195    0.117671    -0.0608868  63  ASN   B O    
743  C CB   . ASN   A 51  ? 0.593824 0.608389 0.672417 0.130819    0.111133    -0.0621101  63  ASN   B CB   
744  H H    . ASN   A 51  ? 0.543144 0.563167 0.614695 0.0914586   0.0842072   -0.0441027  63  ASN   B H    
745  H HA   . ASN   A 51  ? 0.617495 0.651778 0.737035 0.14275     0.0783588   -0.0516278  63  ASN   B HA   
748  N N    . GLY   A 52  ? 0.743422 0.880994 0.942365 0.110981    0.0916186   -0.0438915  64  GLY   B N    
749  C CA   . GLY   A 52  ? 0.548186 0.744418 0.806001 0.109491    0.0962077   -0.0423203  64  GLY   B CA   
750  C C    . GLY   A 52  ? 0.652438 0.875913 0.919341 0.102148    0.127142    -0.0452704  64  GLY   B C    
751  O O    . GLY   A 52  ? 0.728847 1.00496  1.04745  0.102391    0.136346    -0.0451316  64  GLY   B O    
752  H H    . GLY   A 52  ? 0.644882 0.76659  0.825372 0.0977139   0.0821799   -0.0391677  64  GLY   B H    
753  H HA2  . GLY   A 52  ? 0.586034 0.791367 0.853986 0.0947373   0.0841775   -0.0360582  64  GLY   B HA2  
754  H HA3  . GLY   A 52  ? 0.611184 0.82199  0.894876 0.127741    0.089748    -0.0453271  64  GLY   B HA3  
755  N N    . LYS   A 53  ? 0.805538 0.996196 1.02257  0.0945254   0.14384     -0.0481115  65  LYS   B N    
756  C CA   . LYS   A 53  ? 0.78942  1.00188  1.00466  0.0867009   0.174271    -0.0508805  65  LYS   B CA   
757  C C    . LYS   A 53  ? 0.841531 1.04459  1.03028  0.0543553   0.173548    -0.0385682  65  LYS   B C    
758  O O    . LYS   A 53  ? 1.10858  1.27081  1.25673  0.0452688   0.158672    -0.0349914  65  LYS   B O    
759  C CB   . LYS   A 53  ? 0.779888 0.961635 0.95962  0.10795     0.191553    -0.0658719  65  LYS   B CB   
760  H H    . LYS   A 53  ? 0.764214 0.918864 0.946417 0.0929313   0.136057    -0.0482056  65  LYS   B H    
761  H HA   . LYS   A 53  ? 0.791637 1.04591  1.05015  0.090302    0.181427    -0.0510038  65  LYS   B HA   
764  N N    . LYS   A 54  ? 0.773086 1.01463  0.987859 0.0362246   0.187459    -0.0305468  66  LYS   B N    
765  C CA   . LYS   A 54  ? 0.618488 0.850813 0.814461 0.00642219  0.183064    -0.0159059  66  LYS   B CA   
766  C C    . LYS   A 54  ? 0.539945 0.775057 0.765259 -0.00199923 0.153757    -0.0077105  66  LYS   B C    
767  O O    . LYS   A 54  ? 0.666925 0.869912 0.873016 0.00608533  0.132223    -0.0103511  66  LYS   B O    
768  C CB   . LYS   A 54  ? 0.596194 0.779448 0.724831 -0.00246071 0.182291    -0.0144084  66  LYS   B CB   
769  H H    . LYS   A 54  ? 0.754983 1.02993  1.00141  0.0428999   0.200447    -0.033958   66  LYS   B H    
770  H HA   . LYS   A 54  ? 0.637276 0.896288 0.847535 -0.00368385 0.200043    -0.0118933  66  LYS   B HA   
773  N N    . PHE   A 55  ? 0.540842 0.813977 0.811173 -0.0179049  0.154684    0.00059184  67  PHE   B N    
774  C CA   . PHE   A 55  ? 0.525124 0.802386 0.823958 -0.0306742  0.129347    0.00763201  67  PHE   B CA   
775  C C    . PHE   A 55  ? 0.473821 0.744285 0.762609 -0.0611356  0.133296    0.0228901   67  PHE   B C    
776  O O    . PHE   A 55  ? 0.509777 0.810765 0.817918 -0.0761545  0.154176    0.0295672   67  PHE   B O    
777  C CB   . PHE   A 55  ? 0.472763 0.797983 0.834504 -0.0192245  0.123825    0.00142316  67  PHE   B CB   
778  C CG   . PHE   A 55  ? 0.69829  1.01516  1.07663  -0.0174706  0.0897631   0.00026622  67  PHE   B CG   
779  C CD1  . PHE   A 55  ? 0.788109 1.07513  1.14869  -0.036679   0.0714712   0.00741551  67  PHE   B CD1  
780  C CD2  . PHE   A 55  ? 0.815331 1.14843  1.22023  0.00595224  0.0748885   -0.00878239 67  PHE   B CD2  
781  C CE1  . PHE   A 55  ? 0.902867 1.17874  1.27115  -0.0335076  0.0420919   0.00350406  67  PHE   B CE1  
782  C CE2  . PHE   A 55  ? 0.829463 1.15111  1.23964  0.00745952  0.0435288   -0.0103504  67  PHE   B CE2  
783  C CZ   . PHE   A 55  ? 0.852753 1.1461   1.24346  -0.0124931  0.0283947   -0.00530782 67  PHE   B CZ   
784  H H    . PHE   A 55  ? 0.553213 0.851685 0.836968 -0.0218483  0.173735    0.00125069  67  PHE   B H    
785  H HA   . PHE   A 55  ? 0.495495 0.74372  0.773342 -0.02466    0.112373    0.0055394   67  PHE   B HA   
786  H HB2  . PHE   A 55  ? 0.533115 0.864928 0.89648  0.00038836  0.131588    -0.00686579 67  PHE   B HB2  
787  H HB3  . PHE   A 55  ? 0.533977 0.890914 0.924806 -0.0323152  0.135134    0.00604771  67  PHE   B HB3  
788  H HD1  . PHE   A 55  ? 0.793885 1.06671  1.13513  -0.0510134  0.079035    0.0145748   67  PHE   B HD1  
789  H HD2  . PHE   A 55  ? 0.794157 1.14502  1.2118   0.0216044   0.0858043   -0.0139896  67  PHE   B HD2  
790  H HE1  . PHE   A 55  ? 0.850464 1.10586  1.20707  -0.0451463  0.0312394   0.0068091   67  PHE   B HE1  
791  H HE2  . PHE   A 55  ? 0.826307 1.15842  1.25178  0.023116    0.032615    -0.0152587  67  PHE   B HE2  
792  H HZ   . PHE   A 55  ? 0.848709 1.13439  1.24118  -0.0112331  0.00851099  -0.00790449 67  PHE   B HZ   
793  N N    . ASP   A 56  ? 0.408623 0.637288 0.664747 -0.070184   0.11437     0.0292343   68  ASP   B N    
794  C CA   . ASP   A 56  ? 0.397823 0.608084 0.635259 -0.0955915  0.115028    0.0449283   68  ASP   B CA   
795  C C    . ASP   A 56  ? 0.462709 0.661871 0.722345 -0.105863   0.0885023   0.0486084   68  ASP   B C    
796  O O    . ASP   A 56  ? 0.393754 0.575354 0.650712 -0.0925328  0.0666723   0.0399175   68  ASP   B O    
797  C CB   . ASP   A 56  ? 0.409305 0.575588 0.586757 -0.0951538  0.112887    0.0489406   68  ASP   B CB   
798  C CG   . ASP   A 56  ? 0.526311 0.664027 0.681034 -0.11652    0.104638    0.0660054   68  ASP   B CG   
799  O OD1  . ASP   A 56  ? 0.559476 0.710664 0.72555  -0.137673   0.117573    0.0791247   68  ASP   B OD1  
800  O OD2  . ASP   A 56  ? 0.481322 0.584554 0.6114   -0.112633   0.0845667   0.0670221   68  ASP   B OD2  
801  H H    . ASP   A 56  ? 0.404829 0.61514  0.649817 -0.0593744  0.100268    0.0238115   68  ASP   B H    
802  H HA   . ASP   A 56  ? 0.432277 0.664486 0.681611 -0.106854   0.132335    0.0506262   68  ASP   B HA   
803  H HB2  . ASP   A 56  ? 0.442855 0.613364 0.601809 -0.0916581  0.130146    0.0467926   68  ASP   B HB2  
804  H HB3  . ASP   A 56  ? 0.414355 0.564974 0.583213 -0.08275    0.0992462   0.041723    68  ASP   B HB3  
805  N N    . SER   A 57  ? 0.438545 0.644678 0.716931 -0.131064   0.090797    0.0614376   69  SER   B N    
806  C CA   . SER   A 57  ? 0.472226 0.661892 0.769366 -0.141323   0.0647651   0.0628856   69  SER   B CA   
807  C C    . SER   A 57  ? 0.507971 0.673371 0.794624 -0.169416   0.0647825   0.0812582   69  SER   B C    
808  O O    . SER   A 57  ? 0.520991 0.704648 0.811175 -0.187789   0.0871037   0.0935764   69  SER   B O    
809  C CB   . SER   A 57  ? 0.550004 0.77894  0.902495 -0.140005   0.0558287   0.0533504   69  SER   B CB   
810  O OG   . SER   A 57  ? 0.546793 0.768171 0.923669 -0.162259   0.0386556   0.0583466   69  SER   B OG   
811  H H    . SER   A 57  ? 0.472892 0.691773 0.75076  -0.142234   0.108276    0.0688456   69  SER   B H    
812  H HA   . SER   A 57  ? 0.469196 0.632883 0.745481 -0.129521   0.0504917   0.0575069   69  SER   B HA   
813  H HB2  . SER   A 57  ? 0.503683 0.729691 0.85409  -0.122158   0.0446214   0.0427869   69  SER   B HB2  
814  H HB3  . SER   A 57  ? 0.522816 0.786695 0.8973   -0.141034   0.0727183   0.0535003   69  SER   B HB3  
816  N N    . SER   A 58  ? 0.440548 0.562256 0.710824 -0.171302   0.0406833   0.083082    70  SER   B N    
817  C CA   . SER   A 58  ? 0.497854 0.586152 0.758812 -0.195629   0.0342168   0.100083    70  SER   B CA   
818  C C    . SER   A 58  ? 0.599422 0.715986 0.903705 -0.22382    0.0420857   0.108024    70  SER   B C    
819  O O    . SER   A 58  ? 0.656035 0.757355 0.94947  -0.249244   0.0515766   0.127583    70  SER   B O    
820  C CB   . SER   A 58  ? 0.506344 0.550672 0.756906 -0.188046   0.00527195  0.0942463   70  SER   B CB   
821  O OG   . SER   A 58  ? 0.387472 0.447334 0.668996 -0.178111   -0.0104466  0.0758735   70  SER   B OG   
822  H H    . SER   A 58  ? 0.445524 0.556415 0.709524 -0.156131   0.0279163   0.0732014   70  SER   B H    
823  H HA   . SER   A 58  ? 0.526319 0.600996 0.756872 -0.198919   0.0444054   0.110796    70  SER   B HA   
824  H HB2  . SER   A 58  ? 0.507682 0.528228 0.756274 -0.204109   -0.0005184  0.104754    70  SER   B HB2  
825  H HB3  . SER   A 58  ? 0.473916 0.500376 0.695973 -0.173912   0.00252958  0.0927676   70  SER   B HB3  
827  N N    . HIS   A 59  ? 0.541161 0.700089 0.894682 -0.221033   0.0379066   0.0942687   71  HIS   B N    
828  C CA   . HIS   A 59  ? 0.477136 0.671669 0.881285 -0.249584   0.0436335   0.100255    71  HIS   B CA   
829  C C    . HIS   A 59  ? 0.511357 0.741633 0.921399 -0.267016   0.0787812   0.114904    71  HIS   B C    
830  O O    . HIS   A 59  ? 0.557179 0.793162 0.985536 -0.299655   0.086931    0.129936    71  HIS   B O    
831  C CB   . HIS   A 59  ? 0.472059 0.713017 0.927879 -0.238255   0.0317104   0.0815595   71  HIS   B CB   
832  C CG   . HIS   A 59  ? 0.46548  0.67004  0.913499 -0.227194   -0.00261984 0.0678795   71  HIS   B CG   
833  N ND1  . HIS   A 59  ? 0.482618 0.640847 0.922739 -0.24649    -0.0224761  0.0721063   71  HIS   B ND1  
834  C CD2  . HIS   A 59  ? 0.504345 0.708184 0.94585  -0.199032   -0.01866    0.050433    71  HIS   B CD2  
835  C CE1  . HIS   A 59  ? 0.495472 0.630056 0.926226 -0.228878   -0.0485632  0.0551043   71  HIS   B CE1  
836  N NE2  . HIS   A 59  ? 0.526034 0.688262 0.956381 -0.201514   -0.0461724  0.0430587   71  HIS   B NE2  
837  H H    . HIS   A 59  ? 0.503406 0.669875 0.859822 -0.201902   0.0304937   0.081438    71  HIS   B H    
838  H HA   . HIS   A 59  ? 0.523062 0.686808 0.924166 -0.265915   0.0307162   0.106808    71  HIS   B HA   
839  H HB2  . HIS   A 59  ? 0.445878 0.710739 0.901627 -0.218871   0.0420061   0.0746625   71  HIS   B HB2  
840  H HB3  . HIS   A 59  ? 0.476058 0.746939 0.969634 -0.257615   0.0360821   0.0852446   71  HIS   B HB3  
842  H HD2  . HIS   A 59  ? 0.468307 0.69412  0.911242 -0.181072   -0.0121119  0.0442815   71  HIS   B HD2  
843  H HE1  . HIS   A 59  ? 0.522407 0.623516 0.945864 -0.235138   -0.0654418  0.0522282   71  HIS   B HE1  
845  N N    . ASP   A 60  ? 0.533013 0.780992 0.92069  -0.245867   0.100006    0.110633    72  ASP   B N    
846  C CA   . ASP   A 60  ? 0.721765 0.997412 1.09949  -0.256854   0.13658     0.121884    72  ASP   B CA   
847  C C    . ASP   A 60  ? 0.769185 1.0023   1.10566  -0.286331   0.143066    0.147067    72  ASP   B C    
848  O O    . ASP   A 60  ? 0.79647  1.0542   1.13777  -0.310736   0.170772    0.161507    72  ASP   B O    
849  C CB   . ASP   A 60  ? 0.805745 1.08219  1.1445   -0.227766   0.152419    0.112327    72  ASP   B CB   
850  C CG   . ASP   A 60  ? 0.786578 1.09447  1.15127  -0.194714   0.148946    0.0895271   72  ASP   B CG   
851  O OD1  . ASP   A 60  ? 0.632356 0.994759 1.05834  -0.195296   0.153182    0.0823062   72  ASP   B OD1  
852  O OD2  . ASP   A 60  ? 0.592377 0.870047 0.916365 -0.169379   0.141243    0.0800411   72  ASP   B OD2  
853  H H    . ASP   A 60  ? 0.534645 0.776093 0.910899 -0.223515   0.0917612   0.0994056   72  ASP   B H    
854  H HA   . ASP   A 60  ? 0.695463 1.01664  1.11652  -0.26516    0.148121    0.119931    72  ASP   B HA   
855  H HB2  . ASP   A 60  ? 0.789811 1.02421  1.0871   -0.22243    0.141645    0.115542    72  ASP   B HB2  
856  H HB3  . ASP   A 60  ? 0.806458 1.10098  1.13771  -0.23638    0.17729     0.11892     72  ASP   B HB3  
857  N N    . ARG   A 61  ? 0.772995 0.941893 1.06721  -0.283111   0.11804     0.153027    73  ARG   B N    
858  C CA   . ARG   A 61  ? 0.766935 0.886355 1.01774  -0.306375   0.117895    0.177844    73  ARG   B CA   
859  C C    . ARG   A 61  ? 0.812993 0.909768 1.09297  -0.334668   0.0994675   0.187626    73  ARG   B C    
860  O O    . ARG   A 61  ? 0.783906 0.834376 1.03352  -0.357561   0.096412    0.210257    73  ARG   B O    
861  C CB   . ARG   A 61  ? 0.743938 0.816692 0.936424 -0.281231   0.103725    0.176128    73  ARG   B CB   
862  H H    . ARG   A 61  ? 0.733266 0.888987 1.02566  -0.264745   0.100328    0.141325    73  ARG   B H    
863  H HA   . ARG   A 61  ? 0.800632 0.938512 1.04221  -0.319167   0.142214    0.188016    73  ARG   B HA   
866  N N    . ASN   A 62  ? 0.717826 0.845277 1.05532  -0.334424   0.0862233   0.171028    74  ASN   B N    
867  C CA   . ASN   A 62  ? 0.672994 0.779197 1.041    -0.359944   0.0648284   0.174465    74  ASN   B CA   
868  C C    . ASN   A 62  ? 0.698546 0.722334 1.02343  -0.357432   0.0364451   0.181278    74  ASN   B C    
869  O O    . ASN   A 62  ? 0.776271 0.762369 1.10371  -0.385195   0.0256479   0.194568    74  ASN   B O    
870  C CB   . ASN   A 62  ? 0.690645 0.832371 1.09391  -0.401506   0.087714    0.191586    74  ASN   B CB   
871  H H    . ASN   A 62  ? 0.682619 0.844678 1.03992  -0.317485   0.0897551   0.156528    74  ASN   B H    
872  H HA   . ASN   A 62  ? 0.652012 0.78004  1.05184  -0.349288   0.0525695   0.157486    74  ASN   B HA   
875  N N    . GLU   A 63  ? 0.768705 0.763214 1.05735  -0.323234   0.0222879   0.170617    75  GLU   B N    
876  C CA   . GLU   A 63  ? 0.77656  0.698214 1.02673  -0.315976   -0.00278455 0.17635     75  GLU   B CA   
877  C C    . GLU   A 63  ? 0.713657 0.628026 0.948297 -0.276456   -0.0182847  0.155167    75  GLU   B C    
878  O O    . GLU   A 63  ? 0.621149 0.571118 0.848737 -0.257024   -0.00412828 0.146964    75  GLU   B O    
879  C CB   . GLU   A 63  ? 0.839097 0.721259 1.03717  -0.325928   0.00637335  0.203986    75  GLU   B CB   
880  C CG   . GLU   A 63  ? 0.853335 0.755942 1.0144   -0.3059     0.0244934   0.205437    75  GLU   B CG   
881  C CD   . GLU   A 63  ? 0.964001 0.828955 1.06734  -0.315176   0.0313045   0.232621    75  GLU   B CD   
882  O OE1  . GLU   A 63  ? 0.97423  0.847325 1.04213  -0.297433   0.0395745   0.231626    75  GLU   B OE1  
883  O OE2  . GLU   A 63  ? 1.07151  0.896443 1.16201  -0.341971   0.0276671   0.256037    75  GLU   B OE2  
884  H H    . GLU   A 63  ? 0.705662 0.727233 0.995299 -0.303751   0.0285939   0.159344    75  GLU   B H    
885  H HA   . GLU   A 63  ? 0.798347 0.698939 1.06535  -0.329582   -0.0171426  0.1757      75  GLU   B HA   
886  H HB2  . GLU   A 63  ? 0.865802 0.700069 1.0449   -0.320771   -0.0127625  0.207483    75  GLU   B HB2  
887  H HB3  . GLU   A 63  ? 0.874224 0.760746 1.07893  -0.35269    0.0184967   0.219004    75  GLU   B HB3  
888  H HG2  . GLU   A 63  ? 0.837089 0.785382 1.01675  -0.308971   0.0439178   0.200505    75  GLU   B HG2  
889  H HG3  . GLU   A 63  ? 0.826768 0.725886 0.982698 -0.281282   0.0127764   0.191085    75  GLU   B HG3  
890  N N    . PRO   A 64  ? 0.673395 0.542497 0.90165  -0.263114   -0.0459506  0.144705    76  PRO   B N    
891  C CA   . PRO   A 64  ? 0.64875  0.514173 0.860768 -0.227183   -0.0569185  0.126197    76  PRO   B CA   
892  C C    . PRO   A 64  ? 0.597405 0.456607 0.768582 -0.211765   -0.048018   0.136249    76  PRO   B C    
893  O O    . PRO   A 64  ? 0.643334 0.47893  0.786937 -0.225221   -0.0421401  0.159045    76  PRO   B O    
894  C CB   . PRO   A 64  ? 0.689518 0.50088  0.897595 -0.220443   -0.0845643  0.118067    76  PRO   B CB   
895  C CG   . PRO   A 64  ? 0.70695  0.510278 0.944497 -0.252704   -0.0894915  0.122449    76  PRO   B CG   
896  C CD   . PRO   A 64  ? 0.755127 0.57438  0.9905   -0.280982   -0.0666486  0.148526    76  PRO   B CD   
897  H HA   . PRO   A 64  ? 0.604756 0.504514 0.835985 -0.218617   -0.0537538  0.111805    76  PRO   B HA   
898  H HB2  . PRO   A 64  ? 0.707079 0.484058 0.890298 -0.216158   -0.0899908  0.128551    76  PRO   B HB2  
899  H HB3  . PRO   A 64  ? 0.656395 0.475051 0.869571 -0.202088   -0.0925583  0.10002     76  PRO   B HB3  
900  H HG2  . PRO   A 64  ? 0.74965  0.508195 0.97989  -0.255195   -0.105447   0.122995    76  PRO   B HG2  
901  H HG3  . PRO   A 64  ? 0.692733 0.525717 0.956553 -0.253001   -0.0909182  0.108215    76  PRO   B HG3  
902  H HD2  . PRO   A 64  ? 0.778062 0.558941 0.987941 -0.287084   -0.0692258  0.16482     76  PRO   B HD2  
903  H HD3  . PRO   A 64  ? 0.749542 0.586157 1.01261  -0.302572   -0.0630322  0.149855    76  PRO   B HD3  
904  N N    . PHE   A 65  ? 0.555747 0.436746 0.721424 -0.185084   -0.0474015  0.11956     77  PHE   B N    
905  C CA   . PHE   A 65  ? 0.562835 0.439453 0.692598 -0.168257   -0.0436234  0.123842    77  PHE   B CA   
906  C C    . PHE   A 65  ? 0.572054 0.4083   0.687733 -0.149489   -0.0670147  0.119592    77  PHE   B C    
907  O O    . PHE   A 65  ? 0.525353 0.357126 0.657568 -0.135665   -0.0802252  0.101032    77  PHE   B O    
908  C CB   . PHE   A 65  ? 0.502225 0.422641 0.635751 -0.152589   -0.0298745  0.108392    77  PHE   B CB   
909  C CG   . PHE   A 65  ? 0.47624  0.392316 0.57335  -0.138306   -0.0272022  0.111143    77  PHE   B CG   
910  C CD1  . PHE   A 65  ? 0.555329 0.471443 0.622594 -0.149307   -0.0129236  0.127752    77  PHE   B CD1  
911  C CD2  . PHE   A 65  ? 0.53968  0.451537 0.631651 -0.115832   -0.0396309  0.0970831   77  PHE   B CD2  
912  C CE1  . PHE   A 65  ? 0.561749 0.472872 0.594427 -0.138236   -0.013857   0.12942     77  PHE   B CE1  
913  C CE2  . PHE   A 65  ? 0.511499 0.422748 0.57453  -0.10587    -0.0388153  0.0993421   77  PHE   B CE2  
914  C CZ   . PHE   A 65  ? 0.498917 0.408716 0.532175 -0.117064   -0.0276887  0.115144    77  PHE   B CZ   
915  H H    . PHE   A 65  ? 0.534033 0.433387 0.718949 -0.177829   -0.0502454  0.104762    77  PHE   B H    
916  H HA   . PHE   A 65  ? 0.582284 0.452645 0.694142 -0.180663   -0.0347533  0.140407    77  PHE   B HA   
917  H HB2  . PHE   A 65  ? 0.496882 0.4426   0.641194 -0.16308    -0.0147267  0.111076    77  PHE   B HB2  
918  H HB3  . PHE   A 65  ? 0.478918 0.405218 0.627959 -0.141598   -0.0381771  0.0934826   77  PHE   B HB3  
919  H HD1  . PHE   A 65  ? 0.561723 0.481897 0.63147  -0.165712   -0.00239871 0.137971    77  PHE   B HD1  
920  H HD2  . PHE   A 65  ? 0.496692 0.408141 0.605045 -0.108195   -0.0481637  0.0853902   77  PHE   B HD2  
921  H HE1  . PHE   A 65  ? 0.572323 0.482468 0.58111  -0.14628    -0.00464619 0.140013    77  PHE   B HE1  
922  H HE2  . PHE   A 65  ? 0.491911 0.403791 0.554636 -0.0921043  -0.0463431  0.0898145   77  PHE   B HE2  
923  H HZ   . PHE   A 65  ? 0.517418 0.426355 0.530035 -0.111011   -0.0292144  0.115833    77  PHE   B HZ   
924  N N    . VAL   A 66  ? 0.596444 0.402527 0.680488 -0.149665   -0.0722137  0.138037    78  VAL   B N    
925  C CA   . VAL   A 66  ? 0.633735 0.40041  0.709279 -0.131813   -0.0954261  0.136602    78  VAL   B CA   
926  C C    . VAL   A 66  ? 0.624666 0.401739 0.675152 -0.113981   -0.0963948  0.138437    78  VAL   B C    
927  O O    . VAL   A 66  ? 0.697103 0.480505 0.720899 -0.124275   -0.0859353  0.154533    78  VAL   B O    
928  C CB   . VAL   A 66  ? 0.748799 0.463    0.81274  -0.148688   -0.106867   0.158998    78  VAL   B CB   
929  C CG1  . VAL   A 66  ? 0.793062 0.462315 0.845469 -0.127171   -0.131674   0.160749    78  VAL   B CG1  
930  C CG2  . VAL   A 66  ? 0.742618 0.447613 0.834387 -0.170201   -0.106887   0.155605    78  VAL   B CG2  
931  H H    . VAL   A 66  ? 0.616107 0.426877 0.683786 -0.159951   -0.0615556  0.15115     78  VAL   B H    
932  H HA   . VAL   A 66  ? 0.622229 0.390195 0.715408 -0.121291   -0.102629   0.120072    78  VAL   B HA   
933  H HB   . VAL   A 66  ? 0.756343 0.471861 0.800569 -0.161314   -0.0974892  0.176119    78  VAL   B HB   
934  H HG11 . VAL   A 66  ? 0.766666 0.441629 0.834998 -0.110658   -0.138144   0.14181     78  VAL   B HG11 
935  H HG12 . VAL   A 66  ? 0.791414 0.463811 0.824305 -0.119534   -0.132677   0.169089    78  VAL   B HG12 
936  H HG13 . VAL   A 66  ? 0.83107  0.462505 0.879611 -0.137323   -0.140358   0.172299    78  VAL   B HG13 
937  H HG21 . VAL   A 66  ? 0.792338 0.457226 0.876659 -0.178953   -0.117076   0.167785    78  VAL   B HG21 
938  H HG22 . VAL   A 66  ? 0.739018 0.470882 0.837221 -0.186543   -0.0909416  0.16022     78  VAL   B HG22 
939  H HG23 . VAL   A 66  ? 0.725614 0.437887 0.835851 -0.159171   -0.113035   0.13649     78  VAL   B HG23 
940  N N    . PHE   A 67  ? 0.615676 0.393663 0.67397  -0.0890323  -0.109253   0.122201    79  PHE   B N    
941  C CA   . PHE   A 67  ? 0.538917 0.330796 0.579752 -0.0733088  -0.112573   0.122569    79  PHE   B CA   
942  C C    . PHE   A 67  ? 0.571643 0.348516 0.624799 -0.0479961  -0.132706   0.111917    79  PHE   B C    
943  O O    . PHE   A 67  ? 0.562676 0.325147 0.636249 -0.0401052  -0.139667   0.0982562   79  PHE   B O    
944  C CB   . PHE   A 67  ? 0.491399 0.328782 0.53493  -0.0697332  -0.095778   0.10714     79  PHE   B CB   
945  C CG   . PHE   A 67  ? 0.464822 0.322475 0.533138 -0.0548598  -0.0950905  0.0821773   79  PHE   B CG   
946  C CD1  . PHE   A 67  ? 0.499351 0.362107 0.587914 -0.0608005  -0.0899442  0.0716134   79  PHE   B CD1  
947  C CD2  . PHE   A 67  ? 0.425892 0.300169 0.495822 -0.0366762  -0.0992318  0.0698916   79  PHE   B CD2  
948  C CE1  . PHE   A 67  ? 0.415504 0.294443 0.518941 -0.0476227  -0.0901474  0.0502699   79  PHE   B CE1  
949  C CE2  . PHE   A 67  ? 0.442721 0.335143 0.529064 -0.0252168  -0.0960388  0.0489287   79  PHE   B CE2  
950  C CZ   . PHE   A 67  ? 0.41688  0.308236 0.517375 -0.029674   -0.0926113  0.0392532   79  PHE   B CZ   
951  H H    . PHE   A 67  ? 0.591981 0.363291 0.666941 -0.0822302  -0.115912   0.110183    79  PHE   B H    
952  H HA   . PHE   A 67  ? 0.583234 0.363918 0.602044 -0.0812147  -0.113289   0.139652    79  PHE   B HA   
953  H HB2  . PHE   A 67  ? 0.493902 0.338246 0.522142 -0.0648714  -0.097355   0.110539    79  PHE   B HB2  
954  H HB3  . PHE   A 67  ? 0.491786 0.339382 0.531972 -0.0835596  -0.0823346  0.111459    79  PHE   B HB3  
955  H HD1  . PHE   A 67  ? 0.488252 0.343498 0.579918 -0.074661   -0.0869589  0.0794704   79  PHE   B HD1  
956  H HD2  . PHE   A 67  ? 0.448896 0.323421 0.507693 -0.0331018  -0.10411    0.0764306   79  PHE   B HD2  
957  H HE1  . PHE   A 67  ? 0.426989 0.308372 0.542526 -0.0517168  -0.0891354  0.0435262   79  PHE   B HE1  
958  H HE2  . PHE   A 67  ? 0.415594 0.320031 0.503359 -0.0145053  -0.0976808  0.0416121   79  PHE   B HE2  
959  H HZ   . PHE   A 67  ? 0.399816 0.301883 0.507179 -0.022149   -0.0910889  0.0257879   79  PHE   B HZ   
960  N N    . SER   A 68  ? 0.56839  0.351882 0.609643 -0.0344895  -0.14203    0.116686    80  SER   B N    
961  C CA   . SER   A 68  ? 0.571094 0.350021 0.629882 -0.00829902 -0.159041   0.105516    80  SER   B CA   
962  C C    . SER   A 68  ? 0.488581 0.315316 0.560429 0.00231732  -0.148589   0.0845599   80  SER   B C    
963  O O    . SER   A 68  ? 0.481956 0.334528 0.538987 -0.00498829 -0.140511   0.0884265   80  SER   B O    
964  C CB   . SER   A 68  ? 0.607679 0.365924 0.65158  0.00048864  -0.178759   0.124363    80  SER   B CB   
965  O OG   . SER   A 68  ? 0.694197 0.403156 0.718592 -0.0126225  -0.18761    0.147861    80  SER   B OG   
966  H H    . SER   A 68  ? 0.573522 0.365998 0.596561 -0.0415821  -0.137732   0.126229    80  SER   B H    
967  H HA   . SER   A 68  ? 0.574212 0.333626 0.646255 -0.00386751 -0.163559   0.0983232   80  SER   B HA   
968  H HB2  . SER   A 68  ? 0.607659 0.386496 0.637906 -0.00351705 -0.175652   0.12946     80  SER   B HB2  
969  H HB3  . SER   A 68  ? 0.617458 0.375788 0.677988 0.0199453   -0.189694   0.115587    80  SER   B HB3  
971  N N    . LEU   A 69  ? 0.47124  0.305865 0.566702 0.0180626   -0.148731   0.063147    81  LEU   B N    
972  C CA   . LEU   A 69  ? 0.437417 0.313386 0.542936 0.0246297   -0.136414   0.044213    81  LEU   B CA   
973  C C    . LEU   A 69  ? 0.506987 0.409804 0.616585 0.036663    -0.142899   0.0446127   81  LEU   B C    
974  O O    . LEU   A 69  ? 0.49714  0.390485 0.618039 0.0534801   -0.159792   0.0478769   81  LEU   B O    
975  C CB   . LEU   A 69  ? 0.468867 0.340506 0.593633 0.0385532   -0.136253   0.0225645   81  LEU   B CB   
976  C CG   . LEU   A 69  ? 0.531627 0.44014  0.662875 0.0434482   -0.121772   0.0027614   81  LEU   B CG   
977  C CD1  . LEU   A 69  ? 0.494287 0.40926  0.615521 0.0266046   -0.108441   0.00135332  81  LEU   B CD1  
978  C CD2  . LEU   A 69  ? 0.568585 0.476818 0.714429 0.0617466   -0.122184   -0.0196451  81  LEU   B CD2  
979  H H    . LEU   A 69  ? 0.493718 0.305132 0.597316 0.024589    -0.156581   0.0601626   81  LEU   B H    
980  H HA   . LEU   A 69  ? 0.437143 0.325152 0.533631 0.0116639   -0.124404   0.0450628   81  LEU   B HA   
981  H HB2  . LEU   A 69  ? 0.489249 0.340987 0.612011 0.030032    -0.135906   0.0233485   81  LEU   B HB2  
982  H HB3  . LEU   A 69  ? 0.499066 0.359531 0.63326  0.0533072   -0.14713    0.0204053   81  LEU   B HB3  
983  H HG   . LEU   A 69  ? 0.500768 0.431835 0.631731 0.0451767   -0.119509   0.00460071  81  LEU   B HG   
984  H HD11 . LEU   A 69  ? 0.496889 0.411615 0.608245 0.0148859   -0.10582    0.0139126   81  LEU   B HD11 
985  H HD12 . LEU   A 69  ? 0.478814 0.415183 0.599883 0.0288736   -0.0999491  -0.00787965 81  LEU   B HD12 
986  H HD13 . LEU   A 69  ? 0.509202 0.407157 0.633698 0.024992    -0.11106    -0.00295876 81  LEU   B HD13 
987  H HD21 . LEU   A 69  ? 0.564271 0.480466 0.720789 0.0756708   -0.126986   -0.022767   81  LEU   B HD21 
988  H HD22 . LEU   A 69  ? 0.577665 0.45899  0.723936 0.0617862   -0.128241   -0.021632   81  LEU   B HD22 
989  H HD23 . LEU   A 69  ? 0.535959 0.46253  0.679161 0.0594304   -0.111657   -0.0290995  81  LEU   B HD23 
990  N N    . GLY   A 70  ? 0.473554 0.408333 0.57404  0.0272568   -0.131181   0.0425417   82  GLY   B N    
991  C CA   . GLY   A 70  ? 0.450772 0.415683 0.556798 0.0339084   -0.137436   0.0418784   82  GLY   B CA   
992  C C    . GLY   A 70  ? 0.562797 0.519606 0.648355 0.027384    -0.151566   0.0622238   82  GLY   B C    
993  O O    . GLY   A 70  ? 0.648636 0.630068 0.742444 0.0339315   -0.16199    0.0620561   82  GLY   B O    
994  H H    . GLY   A 70  ? 0.456376 0.39413  0.547812 0.0162108   -0.119763   0.041335    82  GLY   B H    
995  H HA2  . GLY   A 70  ? 0.448717 0.434804 0.552204 0.0275507   -0.126064   0.034492    82  GLY   B HA2  
996  H HA3  . GLY   A 70  ? 0.473846 0.445713 0.600519 0.0494953   -0.143888   0.0339982   82  GLY   B HA3  
997  N N    . LYS   A 71  ? 0.595548 0.519934 0.655082 0.0147069   -0.153656   0.0802      83  LYS   B N    
998  C CA   . LYS   A 71  ? 0.625847 0.536013 0.661524 0.0110609   -0.170418   0.10127     83  LYS   B CA   
999  C C    . LYS   A 71  ? 0.604003 0.524938 0.603832 -0.0100719  -0.159037   0.107384    83  LYS   B C    
1000 O O    . LYS   A 71  ? 0.683681 0.587447 0.649354 -0.0200654  -0.167289   0.126337    83  LYS   B O    
1001 C CB   . LYS   A 71  ? 0.698477 0.561204 0.727203 0.0130022   -0.182695   0.11835     83  LYS   B CB   
1002 H H    . LYS   A 71  ? 0.589264 0.500866 0.644925 0.00733693  -0.144382   0.0798155   83  LYS   B H    
1003 H HA   . LYS   A 71  ? 0.631174 0.55649  0.680615 0.0233411   -0.183127   0.0989851   83  LYS   B HA   
1006 N N    . GLY   A 72  ? 0.613208 0.558565 0.617351 -0.016392   -0.139754   0.0910177   84  GLY   B N    
1007 C CA   . GLY   A 72  ? 0.676316 0.629964 0.649837 -0.0337476  -0.125105   0.0906021   84  GLY   B CA   
1008 C C    . GLY   A 72  ? 0.646969 0.578265 0.593862 -0.0490368  -0.110364   0.101671    84  GLY   B C    
1009 O O    . GLY   A 72  ? 0.734579 0.665998 0.64739  -0.0623007  -0.101505   0.105802    84  GLY   B O    
1010 H H    . GLY   A 72  ? 0.592416 0.548144 0.618732 -0.00870004 -0.135418   0.0788437   84  GLY   B H    
1011 H HA2  . GLY   A 72  ? 0.62149  0.591792 0.605401 -0.0334884  -0.114566   0.0771369   84  GLY   B HA2  
1012 H HA3  . GLY   A 72  ? 0.664415 0.623528 0.62382  -0.0359005  -0.135153   0.095479    84  GLY   B HA3  
1013 N N    . GLN   A 73  ? 0.616791 0.53026  0.579163 -0.0482766  -0.106783   0.105251    85  GLN   B N    
1014 C CA   . GLN   A 73  ? 0.609503 0.506501 0.553141 -0.0647648  -0.0925651  0.117232    85  GLN   B CA   
1015 C C    . GLN   A 73  ? 0.548219 0.463883 0.50359  -0.0695509  -0.0694121  0.10258     85  GLN   B C    
1016 O O    . GLN   A 73  ? 0.525266 0.440689 0.464542 -0.0831528  -0.0525262  0.108513    85  GLN   B O    
1017 C CB   . GLN   A 73  ? 0.660132 0.5258   0.611881 -0.0666876  -0.101707   0.13158     85  GLN   B CB   
1018 C CG   . GLN   A 73  ? 0.742389 0.585122 0.684762 -0.0572146  -0.12782    0.146389    85  GLN   B CG   
1019 C CD   . GLN   A 73  ? 0.804057 0.612142 0.764283 -0.0507835  -0.141867   0.15379     85  GLN   B CD   
1020 O OE1  . GLN   A 73  ? 0.671887 0.469011 0.646898 -0.0588609  -0.132281   0.150922    85  GLN   B OE1  
1021 N NE2  . GLN   A 73  ? 0.809256 0.598632 0.768259 -0.0358697  -0.16662    0.163298    85  GLN   B NE2  
1022 H H    . GLN   A 73  ? 0.60698  0.519437 0.592413 -0.0380516  -0.112976   0.0995886   85  GLN   B H    
1023 H HA   . GLN   A 73  ? 0.637079 0.530746 0.551869 -0.0730273  -0.0915445  0.126378    85  GLN   B HA   
1024 H HB2  . GLN   A 73  ? 0.645432 0.512461 0.622896 -0.0604618  -0.101338   0.121584    85  GLN   B HB2  
1025 H HB3  . GLN   A 73  ? 0.681546 0.539326 0.618846 -0.0805758  -0.0912015  0.14121     85  GLN   B HB3  
1026 H HG2  . GLN   A 73  ? 0.769184 0.602793 0.68168  -0.0667716  -0.128738   0.160534    85  GLN   B HG2  
1027 H HG3  . GLN   A 73  ? 0.724005 0.582784 0.676408 -0.0452037  -0.136201   0.137441    85  GLN   B HG3  
1028 H HE21 . GLN   A 73  ? 0.833293 0.598609 0.801628 -0.0300859  -0.176295   0.167177    85  GLN   B HE21 
1029 H HE22 . GLN   A 73  ? 0.819411 0.6199   0.768677 -0.031376   -0.174256   0.16564     85  GLN   B HE22 
1030 N N    . VAL   A 74  ? 0.431083 0.364545 0.411829 -0.0578519  -0.0683547  0.0839661   86  VAL   B N    
1031 C CA   . VAL   A 74  ? 0.418884 0.368123 0.409476 -0.0593997  -0.050262   0.0707921   86  VAL   B CA   
1032 C C    . VAL   A 74  ? 0.388669 0.355605 0.377979 -0.0523821  -0.0484119  0.0562666   86  VAL   B C    
1033 O O    . VAL   A 74  ? 0.388134 0.359527 0.377396 -0.0467331  -0.0612966  0.0552898   86  VAL   B O    
1034 C CB   . VAL   A 74  ? 0.381391 0.327697 0.403149 -0.0544911  -0.0520202  0.0643845   86  VAL   B CB   
1035 C CG1  . VAL   A 74  ? 0.426988 0.356159 0.451976 -0.0668178  -0.0511211  0.0782791   86  VAL   B CG1  
1036 C CG2  . VAL   A 74  ? 0.431882 0.376474 0.472024 -0.0389435  -0.0674898  0.055208    86  VAL   B CG2  
1037 H H    . VAL   A 74  ? 0.448607 0.38449  0.440222 -0.0482739  -0.0793207  0.0799003   86  VAL   B H    
1038 H HA   . VAL   A 74  ? 0.420347 0.369883 0.397223 -0.0684974  -0.0388337  0.0754541   86  VAL   B HA   
1039 H HB   . VAL   A 74  ? 0.381267 0.339941 0.409168 -0.0538161  -0.0421258  0.0554161   86  VAL   B HB   
1040 H HG11 . VAL   A 74  ? 0.444358 0.357004 0.460197 -0.0680017  -0.0610964  0.0889708   86  VAL   B HG11 
1041 H HG12 . VAL   A 74  ? 0.424911 0.361045 0.44086  -0.0760531  -0.0382864  0.0821913   86  VAL   B HG12 
1042 H HG13 . VAL   A 74  ? 0.41268  0.340167 0.45751  -0.064698   -0.0535329  0.0725124   86  VAL   B HG13 
1043 H HG21 . VAL   A 74  ? 0.405993 0.347665 0.461909 -0.0360353  -0.0681195  0.0490469   86  VAL   B HG21 
1044 H HG22 . VAL   A 74  ? 0.397693 0.356222 0.436627 -0.0339403  -0.065549   0.0470439   86  VAL   B HG22 
1045 H HG23 . VAL   A 74  ? 0.431657 0.364048 0.468694 -0.0369076  -0.0786162  0.0634049   86  VAL   B HG23 
1046 N N    . ILE   A 75  ? 0.346781 0.323749 0.336189 -0.0533144  -0.0327771  0.0459516   87  ILE   B N    
1047 C CA   . ILE   A 75  ? 0.328571 0.316501 0.314408 -0.0492229  -0.0291154  0.0330087   87  ILE   B CA   
1048 C C    . ILE   A 75  ? 0.317069 0.313209 0.32627  -0.0384787  -0.0388167  0.0244977   87  ILE   B C    
1049 O O    . ILE   A 75  ? 0.309384 0.301308 0.338366 -0.0320698  -0.0452076  0.0245584   87  ILE   B O    
1050 C CB   . ILE   A 75  ? 0.351781 0.342475 0.333473 -0.0496709  -0.0120046  0.0250401   87  ILE   B CB   
1051 C CG1  . ILE   A 75  ? 0.313998 0.308362 0.322042 -0.0441458  -0.00955362 0.0223065   87  ILE   B CG1  
1052 C CG2  . ILE   A 75  ? 0.362265 0.34792  0.317046 -0.0585825  0.00135865  0.0295266   87  ILE   B CG2  
1053 C CD1  . ILE   A 75  ? 0.318138 0.317915 0.32838  -0.0400728  0.00295736  0.0142458   87  ILE   B CD1  
1054 H H    . ILE   A 75  ? 0.353484 0.329905 0.345524 -0.0569197  -0.0241996  0.0475815   87  ILE   B H    
1055 H HA   . ILE   A 75  ? 0.347513 0.335087 0.316325 -0.0535041  -0.0317891  0.0351617   87  ILE   B HA   
1056 H HB   . ILE   A 75  ? 0.331506 0.324967 0.309989 -0.0473215  -0.0111458  0.0175662   87  ILE   B HB   
1057 H HG12 . ILE   A 75  ? 0.330412 0.322126 0.342849 -0.0486567  -0.00958367 0.0298172   87  ILE   B HG12 
1058 H HG13 . ILE   A 75  ? 0.31199  0.307379 0.332474 -0.0386364  -0.0177865  0.01868     87  ILE   B HG13 
1059 H HG21 . ILE   A 75  ? 0.362368 0.349488 0.314764 -0.0561533  0.0114719   0.0224676   87  ILE   B HG21 
1060 H HG22 . ILE   A 75  ? 0.373656 0.358355 0.332367 -0.0621169  0.00371086  0.0370986   87  ILE   B HG22 
1061 H HG23 . ILE   A 75  ? 0.379973 0.361646 0.315567 -0.063108   -0.00270177 0.0315486   87  ILE   B HG23 
1062 H HD11 . ILE   A 75  ? 0.311566 0.309649 0.312315 -0.0374208  0.00402148  0.00832756  87  ILE   B HD11 
1063 H HD12 . ILE   A 75  ? 0.30455  0.308313 0.332761 -0.0360085  0.00037801  0.011981    87  ILE   B HD12 
1064 H HD13 . ILE   A 75  ? 0.3246   0.325191 0.327469 -0.0439557  0.0123567   0.0170578   87  ILE   B HD13 
1065 N N    . LYS   A 76  ? 0.282458 0.289608 0.286822 -0.038404   -0.0395734  0.0172929   88  LYS   B N    
1066 C CA   . LYS   A 76  ? 0.271022 0.291712 0.295974 -0.0296228  -0.0449252  0.00865079  88  LYS   B CA   
1067 C C    . LYS   A 76  ? 0.265592 0.283973 0.303598 -0.0219775  -0.0392172  0.00072388  88  LYS   B C    
1068 O O    . LYS   A 76  ? 0.273907 0.296309 0.330183 -0.0120657  -0.0455667  -0.00463258 88  LYS   B O    
1069 C CB   . LYS   A 76  ? 0.30767  0.341627 0.323737 -0.0363084  -0.0418946  0.00257656  88  LYS   B CB   
1070 H H    . LYS   A 76  ? 0.297851 0.304273 0.285482 -0.0447999  -0.0359178  0.0174267   88  LYS   B H    
1071 H HA   . LYS   A 76  ? 0.283796 0.306368 0.31914  -0.0249307  -0.0552913  0.0122134   88  LYS   B HA   
1074 N N    . ALA   A 77  ? 0.268884 0.280893 0.297401 -0.0249077  -0.0283419  -0.00122561 89  ALA   B N    
1075 C CA   . ALA   A 77  ? 0.288092 0.299115 0.325933 -0.0180219  -0.025862   -0.00843049 89  ALA   B CA   
1076 C C    . ALA   A 77  ? 0.282747 0.287946 0.338758 -0.0133196  -0.0347591  -0.00748813 89  ALA   B C    
1077 O O    . ALA   A 77  ? 0.290339 0.295274 0.35513  -0.00595233 -0.0382363  -0.0161722  89  ALA   B O    
1078 C CB   . ALA   A 77  ? 0.28349  0.289666 0.311943 -0.0198116  -0.0159728  -0.00880576 89  ALA   B CB   
1079 H H    . ALA   A 77  ? 0.279041 0.287356 0.294506 -0.030538   -0.0230726  0.00162291  89  ALA   B H    
1080 H HA   . ALA   A 77  ? 0.276467 0.29335  0.314844 -0.0148576  -0.0255257  -0.0144517  89  ALA   B HA   
1081 H HB1  . ALA   A 77  ? 0.287138 0.292168 0.302727 -0.021918   -0.0107945  -0.0108458  89  ALA   B HB1  
1082 H HB2  . ALA   A 77  ? 0.289712 0.293641 0.31752  -0.0235718  -0.0137689  -0.00340591 89  ALA   B HB2  
1083 H HB3  . ALA   A 77  ? 0.280887 0.28704  0.316521 -0.0149382  -0.0171186  -0.0125577  89  ALA   B HB3  
1084 N N    . TRP   A 78  ? 0.294881 0.29222  0.353126 -0.0188482  -0.0386418  0.00287214  90  TRP   B N    
1085 C CA   . TRP   A 78  ? 0.257379 0.243048 0.331617 -0.017677   -0.0478392  0.00500824  90  TRP   B CA   
1086 C C    . TRP   A 78  ? 0.284402 0.264833 0.367599 -0.00755134 -0.0598125  0.00093632  90  TRP   B C    
1087 O O    . TRP   A 78  ? 0.331547 0.30189  0.426839 -0.00102846 -0.0671254  -0.00636192 90  TRP   B O    
1088 C CB   . TRP   A 78  ? 0.287664 0.264078 0.35897  -0.0292879  -0.0467015  0.0195579   90  TRP   B CB   
1089 C CG   . TRP   A 78  ? 0.267336 0.250464 0.345685 -0.0365283  -0.0368786  0.0203254   90  TRP   B CG   
1090 C CD1  . TRP   A 78  ? 0.319131 0.316421 0.395493 -0.0347045  -0.0255598  0.0142629   90  TRP   B CD1  
1091 C CD2  . TRP   A 78  ? 0.304227 0.280893 0.397935 -0.0464476  -0.0390916  0.0276043   90  TRP   B CD2  
1092 N NE1  . TRP   A 78  ? 0.317822 0.323396 0.410819 -0.040937   -0.0204546  0.0169986   90  TRP   B NE1  
1093 C CE2  . TRP   A 78  ? 0.288267 0.28321  0.391715 -0.0505806  -0.0273765  0.0258048   90  TRP   B CE2  
1094 C CE3  . TRP   A 78  ? 0.373381 0.329272 0.471937 -0.0530233  -0.0494546  0.0369949   90  TRP   B CE3  
1095 C CZ2  . TRP   A 78  ? 0.281458 0.281429 0.406019 -0.0623063  -0.0260243  0.0312803   90  TRP   B CZ2  
1096 C CZ3  . TRP   A 78  ? 0.400742 0.354384 0.514615 -0.0671069  -0.0477668  0.0438965   90  TRP   B CZ3  
1097 C CH2  . TRP   A 78  ? 0.335957 0.315595 0.464782 -0.0725635  -0.0353347  0.0406321   90  TRP   B CH2  
1098 H H    . TRP   A 78  ? 0.288462 0.285555 0.336162 -0.0244411  -0.035622   0.00888345  90  TRP   B H    
1099 H HA   . TRP   A 78  ? 0.266818 0.253693 0.347757 -0.0159489  -0.0468111  -0.00105006 90  TRP   B HA   
1100 H HB2  . TRP   A 78  ? 0.285885 0.263983 0.343449 -0.0326984  -0.0438235  0.0251908   90  TRP   B HB2  
1101 H HB3  . TRP   A 78  ? 0.293711 0.257901 0.371813 -0.0289598  -0.0555896  0.0232845   90  TRP   B HB3  
1102 H HD1  . TRP   A 78  ? 0.294718 0.295558 0.361037 -0.0302041  -0.0219435  0.00937221  90  TRP   B HD1  
1103 H HE1  . TRP   A 78  ? 0.300207 0.315979 0.396871 -0.0393082  -0.0138704  0.0142138   90  TRP   B HE1  
1104 H HE3  . TRP   A 78  ? 0.372341 0.31589  0.465362 -0.0480165  -0.0578728  0.0384965   90  TRP   B HE3  
1105 H HZ2  . TRP   A 78  ? 0.286743 0.30348  0.422729 -0.0636526  -0.0187524  0.0292842   90  TRP   B HZ2  
1106 H HZ3  . TRP   A 78  ? 0.4037   0.339346 0.519777 -0.0730817  -0.0550651  0.0508032   90  TRP   B HZ3  
1107 H HH2  . TRP   A 78  ? 0.347402 0.329987 0.490534 -0.0833233  -0.0339181  0.0452715   90  TRP   B HH2  
1108 N N    . ASP   A 79  ? 0.264579 0.251126 0.342809 -0.00576613 -0.0632566  0.00537022  91  ASP   B N    
1109 C CA   . ASP   A 79  ? 0.298482 0.285591 0.390567 0.00717393  -0.0745212  0.00098934  91  ASP   B CA   
1110 C C    . ASP   A 79  ? 0.316856 0.316314 0.41773  0.0175393   -0.0696758  -0.0163957  91  ASP   B C    
1111 O O    . ASP   A 79  ? 0.344858 0.338057 0.458819 0.0303161   -0.0762967  -0.0255006  91  ASP   B O    
1112 C CB   . ASP   A 79  ? 0.321949 0.321345 0.41138  0.00771249  -0.0807356  0.00810473  91  ASP   B CB   
1113 C CG   . ASP   A 79  ? 0.370199 0.351683 0.448575 0.00170181  -0.0911517  0.0260304   91  ASP   B CG   
1114 O OD1  . ASP   A 79  ? 0.395941 0.353096 0.476378 0.00114601  -0.0963129  0.0323441   91  ASP   B OD1  
1115 O OD2  . ASP   A 79  ? 0.404957 0.396592 0.473396 -0.00181172 -0.0959109  0.0327615   91  ASP   B OD2  
1116 H H    . ASP   A 79  ? 0.275729 0.266874 0.34263  -0.0120447  -0.0591367  0.0105697   91  ASP   B H    
1117 H HA   . ASP   A 79  ? 0.316897 0.2869   0.414519 0.00919842  -0.0822532  0.00462716  91  ASP   B HA   
1118 H HB2  . ASP   A 79  ? 0.31224  0.324357 0.392544 0.00135696  -0.0732272  0.00671837  91  ASP   B HB2  
1119 H HB3  . ASP   A 79  ? 0.323911 0.331737 0.427265 0.0183916   -0.0859251  0.00197795  91  ASP   B HB3  
1120 N N    . ILE   A 80  ? 0.242586 0.257721 0.333279 0.0125355   -0.0578086  -0.0211451  92  ILE   B N    
1121 C CA   . ILE   A 80  ? 0.234776 0.260911 0.325561 0.019088    -0.0505094  -0.0353374  92  ILE   B CA   
1122 C C    . ILE   A 80  ? 0.270612 0.281407 0.359096 0.0222463   -0.0519487  -0.0427879  92  ILE   B C    
1123 O O    . ILE   A 80  ? 0.289262 0.297431 0.382455 0.0327634   -0.0546039  -0.055094   92  ILE   B O    
1124 C CB   . ILE   A 80  ? 0.264187 0.304399 0.340052 0.0102599   -0.0382995  -0.0353934  92  ILE   B CB   
1125 C CG1  . ILE   A 80  ? 0.251125 0.310924 0.331204 0.0055226   -0.0381341  -0.0318907  92  ILE   B CG1  
1126 C CG2  . ILE   A 80  ? 0.281289 0.325528 0.347878 0.0138598   -0.0294745  -0.0466333  92  ILE   B CG2  
1127 C CD1  . ILE   A 80  ? 0.276522 0.337768 0.336609 -0.00842385 -0.0283706  -0.0288333  92  ILE   B CD1  
1128 H H    . ILE   A 80  ? 0.251497 0.268773 0.332229 0.00440449  -0.0536948  -0.0151875  92  ILE   B H    
1129 H HA   . ILE   A 80  ? 0.252417 0.286732 0.354054 0.0274037   -0.0532233  -0.0405889  92  ILE   B HA   
1130 H HB   . ILE   A 80  ? 0.254882 0.286493 0.321212 0.00358653  -0.0362873  -0.0296385  92  ILE   B HB   
1131 H HG12 . ILE   A 80  ? 0.260186 0.334723 0.351305 0.0114826   -0.0371205  -0.038564   92  ILE   B HG12 
1132 H HG13 . ILE   A 80  ? 0.26379  0.320023 0.348465 0.00547001  -0.0461102  -0.0252132  92  ILE   B HG13 
1133 H HG21 . ILE   A 80  ? 0.27462  0.327692 0.333314 0.00821165  -0.0222044  -0.0461515  92  ILE   B HG21 
1134 H HG22 . ILE   A 80  ? 0.281723 0.330727 0.356932 0.0222532   -0.0311051  -0.0542122  92  ILE   B HG22 
1135 H HG23 . ILE   A 80  ? 0.277494 0.31005  0.336448 0.0131365   -0.0298456  -0.0464585  92  ILE   B HG23 
1136 H HD11 . ILE   A 80  ? 0.268783 0.31607  0.318296 -0.0122449  -0.0277022  -0.0239821  92  ILE   B HD11 
1137 H HD12 . ILE   A 80  ? 0.269282 0.34178  0.332035 -0.0133413  -0.0303969  -0.0266235  92  ILE   B HD12 
1138 H HD13 . ILE   A 80  ? 0.267474 0.3314   0.321964 -0.00875834 -0.0210353  -0.0340863  92  ILE   B HD13 
1139 N N    . GLY   A 81  ? 0.260497 0.262475 0.342761 0.0134484   -0.0508773  -0.0362469  93  GLY   B N    
1140 C CA   . GLY   A 81  ? 0.269486 0.261681 0.352195 0.0145289   -0.0547898  -0.0428688  93  GLY   B CA   
1141 C C    . GLY   A 81  ? 0.249057 0.223155 0.344891 0.0167428   -0.0671877  -0.0458491  93  GLY   B C    
1142 O O    . GLY   A 81  ? 0.298257 0.265168 0.392367 0.0226573   -0.0722608  -0.0586895  93  GLY   B O    
1143 H H    . GLY   A 81  ? 0.258175 0.261653 0.336502 0.00681784  -0.0479365  -0.028189   93  GLY   B H    
1144 H HA2  . GLY   A 81  ? 0.261332 0.257793 0.336239 0.0192656   -0.0519187  -0.0512161  93  GLY   B HA2  
1145 H HA3  . GLY   A 81  ? 0.25419  0.247391 0.334549 0.00840101  -0.0519885  -0.037499   93  GLY   B HA3  
1146 N N    . VAL   A 82  ? 0.321932 0.284497 0.427092 0.0114427   -0.0729325  -0.0343728  94  VAL   B N    
1147 C CA   . VAL   A 82  ? 0.306727 0.244946 0.422558 0.0109271   -0.0854042  -0.0356534  94  VAL   B CA   
1148 C C    . VAL   A 82  ? 0.321453 0.249639 0.440049 0.0276458   -0.0919524  -0.0489394  94  VAL   B C    
1149 O O    . VAL   A 82  ? 0.342679 0.249241 0.464518 0.0314747   -0.101341   -0.0597362  94  VAL   B O    
1150 C CB   . VAL   A 82  ? 0.367879 0.293362 0.488012 -0.00131852 -0.088419   -0.0169335  94  VAL   B CB   
1151 C CG1  . VAL   A 82  ? 0.399896 0.29296  0.529542 -0.00372711 -0.102385   -0.0169107  94  VAL   B CG1  
1152 C CG2  . VAL   A 82  ? 0.339083 0.278794 0.458663 -0.0161408  -0.0785525  -0.00741121 94  VAL   B CG2  
1153 H H    . VAL   A 82  ? 0.291213 0.259041 0.393622 0.00738648  -0.069294   -0.0254561  94  VAL   B H    
1154 H HA   . VAL   A 82  ? 0.32338  0.259588 0.440773 0.00735187  -0.0873763  -0.0407819  94  VAL   B HA   
1155 H HB   . VAL   A 82  ? 0.354701 0.282952 0.470793 0.00209218  -0.087731   -0.0111252  94  VAL   B HB   
1156 H HG11 . VAL   A 82  ? 0.402411 0.29247  0.535642 -0.00383701 -0.105483   -0.0272963  94  VAL   B HG11 
1157 H HG12 . VAL   A 82  ? 0.412415 0.293859 0.542302 0.00644994  -0.108412   -0.0191611  94  VAL   B HG12 
1158 H HG13 . VAL   A 82  ? 0.407643 0.293663 0.538895 -0.0156117  -0.102471   -0.00435857 94  VAL   B HG13 
1159 H HG21 . VAL   A 82  ? 0.354141 0.286167 0.474431 -0.0248015  -0.0788033  0.00426042  94  VAL   B HG21 
1160 H HG22 . VAL   A 82  ? 0.328061 0.283057 0.439565 -0.0142635  -0.0702761  -0.0073626  94  VAL   B HG22 
1161 H HG23 . VAL   A 82  ? 0.342872 0.284027 0.469301 -0.0187382  -0.0803094  -0.0132652  94  VAL   B HG23 
1162 N N    . ALA   A 83  ? 0.285083 0.230675 0.403645 0.0378099   -0.0867417  -0.0503248  95  ALA   B N    
1163 C CA   . ALA   A 83  ? 0.344865 0.288438 0.4709   0.056397    -0.09011    -0.0650382  95  ALA   B CA   
1164 C C    . ALA   A 83  ? 0.31335  0.258361 0.429487 0.0627611   -0.0853654  -0.085008   95  ALA   B C    
1165 O O    . ALA   A 83  ? 0.358074 0.293408 0.477876 0.0784906   -0.0884948  -0.100948   95  ALA   B O    
1166 C CB   . ALA   A 83  ? 0.322249 0.295356 0.454833 0.0632904   -0.0835382  -0.0629009  95  ALA   B CB   
1167 H H    . ALA   A 83  ? 0.287135 0.246861 0.402278 0.0331995   -0.0810115  -0.0428527  95  ALA   B H    
1168 H HA   . ALA   A 83  ? 0.347439 0.269123 0.480404 0.0603115   -0.100207   -0.0635253  95  ALA   B HA   
1169 H HB1  . ALA   A 83  ? 0.325727 0.297033 0.461692 0.0594276   -0.0883678  -0.0504792  95  ALA   B HB1  
1170 H HB2  . ALA   A 83  ? 0.308731 0.299724 0.433299 0.0577684   -0.0737318  -0.0639142  95  ALA   B HB2  
1171 H HB3  . ALA   A 83  ? 0.335828 0.312034 0.47718  0.0767961   -0.0845851  -0.0730572  95  ALA   B HB3  
1172 N N    . THR   A 84  ? 0.338745 0.293341 0.44005  0.0524615   -0.0786206  -0.0852393  96  THR   B N    
1173 C CA   . THR   A 84  ? 0.368771 0.322423 0.453686 0.0574924   -0.0762076  -0.102423   96  THR   B CA   
1174 C C    . THR   A 84  ? 0.402338 0.329782 0.484635 0.0524833   -0.0902318  -0.109079   96  THR   B C    
1175 O O    . THR   A 84  ? 0.430102 0.350638 0.495832 0.0574599   -0.0926283  -0.125687   96  THR   B O    
1176 C CB   . THR   A 84  ? 0.342577 0.316134 0.409168 0.0512839   -0.0647067  -0.0997858  96  THR   B CB   
1177 O OG1  . THR   A 84  ? 0.337021 0.306715 0.403887 0.0385386   -0.0694694  -0.0880561  96  THR   B OG1  
1178 C CG2  . THR   A 84  ? 0.377754 0.376372 0.445249 0.049955    -0.0511068  -0.0920008  96  THR   B CG2  
1179 H H    . THR   A 84  ? 0.316772 0.277937 0.416652 0.0430728   -0.0758107  -0.0745601  96  THR   B H    
1180 H HA   . THR   A 84  ? 0.376848 0.332591 0.462372 0.0688585   -0.0735435  -0.113106   96  THR   B HA   
1181 H HB   . THR   A 84  ? 0.368892 0.341003 0.42136  0.0559432   -0.0631644  -0.111176   96  THR   B HB   
1183 H HG21 . THR   A 84  ? 0.357031 0.362735 0.409658 0.0461263   -0.0441382  -0.091574   96  THR   B HG21 
1184 H HG22 . THR   A 84  ? 0.348042 0.347515 0.424314 0.0440877   -0.0528852  -0.0807397  96  THR   B HG22 
1185 H HG23 . THR   A 84  ? 0.366516 0.372824 0.440292 0.058405    -0.0479694  -0.0988844  96  THR   B HG23 
1186 N N    . MET   A 85  ? 0.396581 0.308291 0.493763 0.041965    -0.10012    -0.0975388  97  MET   B N    
1187 C CA   . MET   A 85  ? 0.401717 0.293754 0.501974 0.0313364   -0.113763   -0.101247   97  MET   B CA   
1188 C C    . MET   A 85  ? 0.460466 0.315883 0.564725 0.0359404   -0.127604   -0.113131   97  MET   B C    
1189 O O    . MET   A 85  ? 0.439083 0.279789 0.551108 0.0449259   -0.128833   -0.110439   97  MET   B O    
1190 C CB   . MET   A 85  ? 0.407133 0.305143 0.523334 0.0135621   -0.11424    -0.0810377  97  MET   B CB   
1191 C CG   . MET   A 85  ? 0.393287 0.32275  0.504784 0.00954401  -0.101846   -0.0718375  97  MET   B CG   
1192 S SD   . MET   A 85  ? 0.363382 0.301885 0.494684 -0.00907123 -0.0991774  -0.0514028  97  MET   B SD   
1193 C CE   . MET   A 85  ? 0.349986 0.28449  0.497568 -0.0208494  -0.114501   -0.0587278  97  MET   B CE   
1194 H H    . MET   A 85  ? 0.386404 0.300081 0.492221 0.0398993   -0.0986487  -0.0865049  97  MET   B H    
1195 H HA   . MET   A 85  ? 0.412602 0.311779 0.501386 0.0315896   -0.113728   -0.109127   97  MET   B HA   
1196 H HB2  . MET   A 85  ? 0.407181 0.298193 0.529931 0.0128788   -0.113539   -0.0718124  97  MET   B HB2  
1197 H HB3  . MET   A 85  ? 0.419064 0.30646  0.541864 0.00508679  -0.123419   -0.0831176  97  MET   B HB3  
1198 H HG2  . MET   A 85  ? 0.386772 0.321668 0.490696 0.010988    -0.103847   -0.0794477  97  MET   B HG2  
1199 H HG3  . MET   A 85  ? 0.373966 0.312488 0.478703 0.0155985   -0.0932448  -0.0696676  97  MET   B HG3  
1200 H HE1  . MET   A 85  ? 0.352831 0.295555 0.515392 -0.0320561  -0.112438   -0.0486714  97  MET   B HE1  
1201 H HE2  . MET   A 85  ? 0.378909 0.292299 0.526557 -0.0209278  -0.123911   -0.065767   97  MET   B HE2  
1202 H HE3  . MET   A 85  ? 0.352816 0.298136 0.494043 -0.016318   -0.115913   -0.065824   97  MET   B HE3  
1203 N N    . LYS   A 86  ? 0.490827 0.329499 0.588436 0.0305694   -0.139874   -0.127274   98  LYS   B N    
1204 C CA   . LYS   A 86  ? 0.56511  0.36174  0.664261 0.0312514   -0.155353   -0.140075   98  LYS   B CA   
1205 C C    . LYS   A 86  ? 0.547387 0.327837 0.666833 0.00810902  -0.16682    -0.124873   98  LYS   B C    
1206 O O    . LYS   A 86  ? 0.504831 0.310392 0.635778 -0.00826124 -0.164689   -0.111718   98  LYS   B O    
1207 C CB   . LYS   A 86  ? 0.532985 0.31919  0.608359 0.0378411   -0.162348   -0.166657   98  LYS   B CB   
1208 H H    . LYS   A 86  ? 0.486738 0.339339 0.577898 0.0261682   -0.139614   -0.129049   98  LYS   B H    
1209 H HA   . LYS   A 86  ? 0.551539 0.336523 0.652496 0.0431412   -0.153162   -0.141495   98  LYS   B HA   
1212 N N    . LYS   A 87  ? 0.553802 0.290463 0.678762 0.0056672   -0.17912    -0.12674    99  LYS   B N    
1213 C CA   . LYS   A 87  ? 0.59637  0.314123 0.738692 -0.0204908  -0.190272   -0.113666   99  LYS   B CA   
1214 C C    . LYS   A 87  ? 0.628931 0.360459 0.776101 -0.0380197  -0.200202   -0.123102   99  LYS   B C    
1215 O O    . LYS   A 87  ? 0.698846 0.420578 0.828835 -0.0300629  -0.209232   -0.146786   99  LYS   B O    
1216 C CB   . LYS   A 87  ? 0.66669  0.324418 0.80826  -0.0211551  -0.205531   -0.118755   99  LYS   B CB   
1217 C CG   . LYS   A 87  ? 0.700719 0.335369 0.859861 -0.0521327  -0.21529    -0.101072   99  LYS   B CG   
1218 C CD   . LYS   A 87  ? 0.815269 0.382117 0.96985  -0.0515508  -0.229722   -0.101405   99  LYS   B CD   
1219 C CE   . LYS   A 87  ? 0.875456 0.411911 1.04408  -0.0856055  -0.239848   -0.0842349  99  LYS   B CE   
1220 N NZ   . LYS   A 87  ? 1.02372  0.485072 1.18246  -0.0826095  -0.25607    -0.0875581  99  LYS   B NZ   
1221 H H    . LYS   A 87  ? 0.587386 0.305235 0.705783 0.0201501   -0.180308   -0.13603    99  LYS   B H    
1222 H HA   . LYS   A 87  ? 0.576074 0.310126 0.728204 -0.0281462  -0.182367   -0.0946606  99  LYS   B HA   
1223 H HB2  . LYS   A 87  ? 0.668801 0.316789 0.807653 -0.00695716 -0.201595   -0.114165   99  LYS   B HB2  
1224 H HB3  . LYS   A 87  ? 0.691554 0.331715 0.822355 -0.0146035  -0.213502   -0.139175   99  LYS   B HB3  
1225 H HG2  . LYS   A 87  ? 0.712664 0.354899 0.877407 -0.0659148  -0.221843   -0.108334   99  LYS   B HG2  
1226 H HG3  . LYS   A 87  ? 0.683671 0.340448 0.85153  -0.0599468  -0.205611   -0.0815374  99  LYS   B HG3  
1227 H HD2  . LYS   A 87  ? 0.804968 0.366774 0.955872 -0.0372564  -0.224508   -0.0925476  99  LYS   B HD2  
1228 H HD3  . LYS   A 87  ? 0.835457 0.379754 0.979389 -0.0407085  -0.23803    -0.122985   99  LYS   B HD3  
1229 H HE2  . LYS   A 87  ? 0.886554 0.434361 1.06326  -0.101349   -0.245145   -0.0919199  99  LYS   B HE2  
1230 H HE3  . LYS   A 87  ? 0.86589  0.420765 1.04211  -0.0951987  -0.230453   -0.0625836  99  LYS   B HE3  
1231 H HZ1  . LYS   A 87  ? 1.01934  0.461897 1.16936  -0.072341   -0.264104   -0.109265   99  LYS   B HZ1  
1232 H HZ2  . LYS   A 87  ? 0.999513 0.451151 1.15273  -0.0678842  -0.252542   -0.0787557  99  LYS   B HZ2  
1233 H HZ3  . LYS   A 87  ? 1.02225  0.464427 1.18855  -0.105682   -0.261955   -0.0767923  99  LYS   B HZ3  
1234 N N    . GLY   A 88  ? 0.558544 0.3186   0.728605 -0.0599957  -0.197096   -0.104461   100 GLY   B N    
1235 C CA   . GLY   A 88  ? 0.54603  0.330881 0.730708 -0.0769878  -0.206602   -0.109276   100 GLY   B CA   
1236 C C    . GLY   A 88  ? 0.502097 0.335303 0.681986 -0.0661338  -0.197082   -0.109862   100 GLY   B C    
1237 O O    . GLY   A 88  ? 0.521945 0.381812 0.716318 -0.0766083  -0.205251   -0.111748   100 GLY   B O    
1238 H H    . GLY   A 88  ? 0.553707 0.3196   0.731369 -0.0639584  -0.188568   -0.0880256  100 GLY   B H    
1239 H HA2  . GLY   A 88  ? 0.547774 0.338357 0.753612 -0.0954224  -0.206618   -0.0959653  100 GLY   B HA2  
1240 H HA3  . GLY   A 88  ? 0.579688 0.342354 0.75677  -0.0783228  -0.220677   -0.125522   100 GLY   B HA3  
1241 N N    . GLU   A 89  ? 0.500443 0.343259 0.660038 -0.0448992  -0.181702   -0.108986   101 GLU   B N    
1242 C CA   . GLU   A 89  ? 0.446538 0.325829 0.5961   -0.0347523  -0.173123   -0.109185   101 GLU   B CA   
1243 C C    . GLU   A 89  ? 0.417832 0.332845 0.592474 -0.0454068  -0.162138   -0.088447   101 GLU   B C    
1244 O O    . GLU   A 89  ? 0.402538 0.317368 0.591228 -0.0540012  -0.152169   -0.071979   101 GLU   B O    
1245 C CB   . GLU   A 89  ? 0.460102 0.336499 0.583099 -0.0132262  -0.159362   -0.113843   101 GLU   B CB   
1246 C CG   . GLU   A 89  ? 0.461509 0.368512 0.568874 -0.00376378 -0.148606   -0.111933   101 GLU   B CG   
1247 C CD   . GLU   A 89  ? 0.445931 0.3535   0.530842 0.0128323   -0.133936   -0.115668   101 GLU   B CD   
1248 O OE1  . GLU   A 89  ? 0.442248 0.327966 0.5136   0.0228112   -0.13712    -0.131932   101 GLU   B OE1  
1249 O OE2  . GLU   A 89  ? 0.400003 0.330677 0.481447 0.0153113   -0.119648   -0.103768   101 GLU   B OE2  
1250 H H    . GLU   A 89  ? 0.495449 0.321338 0.648051 -0.0371317  -0.177108   -0.107745   101 GLU   B H    
1251 H HA   . GLU   A 89  ? 0.469471 0.350446 0.613017 -0.0354038  -0.184176   -0.120576   101 GLU   B HA   
1252 H HB2  . GLU   A 89  ? 0.485553 0.341306 0.594555 -0.0060057  -0.165364   -0.12844    101 GLU   B HB2  
1253 H HB3  . GLU   A 89  ? 0.451178 0.324665 0.580572 -0.0126775  -0.151368   -0.103516   101 GLU   B HB3  
1254 H HG2  . GLU   A 89  ? 0.430624 0.355969 0.551587 -0.00950239 -0.142554   -0.0987969  101 GLU   B HG2  
1255 H HG3  . GLU   A 89  ? 0.465153 0.374143 0.563573 -0.00361293 -0.157714   -0.121033   101 GLU   B HG3  
1256 N N    . ILE   A 90  ? 0.408453 0.354163 0.587336 -0.0439696  -0.164062   -0.0892469  102 ILE   B N    
1257 C CA   . ILE   A 90  ? 0.356608 0.337059 0.552978 -0.0456039  -0.150026   -0.0732621  102 ILE   B CA   
1258 C C    . ILE   A 90  ? 0.339973 0.330066 0.508688 -0.0266764  -0.141026   -0.0753524  102 ILE   B C    
1259 O O    . ILE   A 90  ? 0.363309 0.350795 0.511703 -0.0179     -0.151307   -0.0872049  102 ILE   B O    
1260 C CB   . ILE   A 90  ? 0.38057  0.391936 0.61159  -0.0581119  -0.160073   -0.0710433  102 ILE   B CB   
1261 C CG1  . ILE   A 90  ? 0.438652 0.442612 0.699928 -0.0821259  -0.167522   -0.0671588  102 ILE   B CG1  
1262 C CG2  . ILE   A 90  ? 0.400189 0.447042 0.645405 -0.0529172  -0.142976   -0.0576956  102 ILE   B CG2  
1263 C CD1  . ILE   A 90  ? 0.467842 0.506169 0.769688 -0.0976182  -0.179807   -0.0672348  102 ILE   B CD1  
1264 H H    . ILE   A 90  ? 0.415976 0.359711 0.585433 -0.0409219  -0.174919   -0.100472   102 ILE   B H    
1265 H HA   . ILE   A 90  ? 0.356953 0.334788 0.559335 -0.0501514  -0.139692   -0.0629248  102 ILE   B HA   
1266 H HB   . ILE   A 90  ? 0.401969 0.414526 0.625376 -0.0535812  -0.173073   -0.0813056  102 ILE   B HB   
1267 H HG12 . ILE   A 90  ? 0.425702 0.429153 0.692435 -0.087143   -0.154298   -0.0552944  102 ILE   B HG12 
1268 H HG13 . ILE   A 90  ? 0.457254 0.432084 0.705579 -0.0835494  -0.177473   -0.0761689  102 ILE   B HG13 
1269 H HG21 . ILE   A 90  ? 0.383484 0.452949 0.65774  -0.0620505  -0.146033   -0.0543746  102 ILE   B HG21 
1270 H HG22 . ILE   A 90  ? 0.374421 0.416114 0.615099 -0.0535039  -0.128902   -0.0492999  102 ILE   B HG22 
1271 H HG23 . ILE   A 90  ? 0.378527 0.429952 0.607682 -0.0397982  -0.143179   -0.0611688  102 ILE   B HG23 
1272 H HD11 . ILE   A 90  ? 0.468054 0.509466 0.763109 -0.0915198  -0.194038   -0.078169   102 ILE   B HD11 
1273 H HD12 . ILE   A 90  ? 0.477484 0.505731 0.795079 -0.114866   -0.185494   -0.0659385  102 ILE   B HD12 
1274 H HD13 . ILE   A 90  ? 0.439465 0.507243 0.758842 -0.0967554  -0.168225   -0.0577847  102 ILE   B HD13 
1275 N N    . ALA   A 91  ? 0.316434 0.314236 0.481034 -0.0222875  -0.122086   -0.0633518  103 ALA   B N    
1276 C CA   . ALA   A 91  ? 0.328541 0.332126 0.46745  -0.00788309 -0.11228    -0.0634279  103 ALA   B CA   
1277 C C    . ALA   A 91  ? 0.290052 0.315879 0.440452 -0.00755481 -0.0984136  -0.0504639  103 ALA   B C    
1278 O O    . ALA   A 91  ? 0.286286 0.321136 0.458395 -0.017649   -0.0903817  -0.0406322  103 ALA   B O    
1279 C CB   . ALA   A 91  ? 0.333131 0.319382 0.449341 -0.00111042 -0.102798   -0.0655755  103 ALA   B CB   
1280 H H    . ALA   A 91  ? 0.316692 0.314524 0.492587 -0.0293133  -0.115548   -0.054903   103 ALA   B H    
1281 H HA   . ALA   A 91  ? 0.331389 0.335461 0.459908 -0.00278145 -0.121157   -0.0708718  103 ALA   B HA   
1282 H HB1  . ALA   A 91  ? 0.347572 0.320024 0.456775 0.00094353  -0.110354   -0.0752628  103 ALA   B HB1  
1283 H HB2  . ALA   A 91  ? 0.324511 0.309526 0.449494 -0.00578012 -0.0964777  -0.0578383  103 ALA   B HB2  
1284 H HB3  . ALA   A 91  ? 0.325546 0.31588  0.425421 0.00583099  -0.0956915  -0.0651404  103 ALA   B HB3  
1285 N N    . HIS   A 92  ? 0.253625 0.284641 0.386357 0.00380364  -0.0949821  -0.0506139  104 HIS   B N    
1286 C CA   . HIS   A 92  ? 0.262208 0.304732 0.395687 0.00837607  -0.0803986  -0.0412879  104 HIS   B CA   
1287 C C    . HIS   A 92  ? 0.28003  0.307452 0.382748 0.0126862   -0.0667278  -0.0392562  104 HIS   B C    
1288 O O    . HIS   A 92  ? 0.30001  0.314557 0.377396 0.0175297   -0.0694247  -0.045444   104 HIS   B O    
1289 C CB   . HIS   A 92  ? 0.263397 0.317183 0.397973 0.0190503   -0.0876353  -0.0417944  104 HIS   B CB   
1290 C CG   . HIS   A 92  ? 0.261985 0.341701 0.435441 0.0156102   -0.0989578  -0.0418805  104 HIS   B CG   
1291 N ND1  . HIS   A 92  ? 0.283519 0.379606 0.46819  0.0258606   -0.111238   -0.0426851  104 HIS   B ND1  
1292 C CD2  . HIS   A 92  ? 0.281012 0.374074 0.487482 0.00077574  -0.10077    -0.0407545  104 HIS   B CD2  
1293 C CE1  . HIS   A 92  ? 0.296444 0.421382 0.524931 0.0174868   -0.119561   -0.0429832  104 HIS   B CE1  
1294 N NE2  . HIS   A 92  ? 0.286327 0.410165 0.528761 0.00099048  -0.111307   -0.0410291  104 HIS   B NE2  
1295 H H    . HIS   A 92  ? 0.277391 0.301754 0.394182 0.0091848   -0.102241   -0.0571466  104 HIS   B H    
1296 H HA   . HIS   A 92  ? 0.254229 0.306567 0.407111 0.00163992  -0.0745471  -0.0358031  104 HIS   B HA   
1297 H HB2  . HIS   A 92  ? 0.276029 0.319002 0.389904 0.0239282   -0.0954526  -0.0467996  104 HIS   B HB2  
1298 H HB3  . HIS   A 92  ? 0.260272 0.314155 0.388054 0.0243584   -0.0772577  -0.0370569  104 HIS   B HB3  
1300 H HD2  . HIS   A 92  ? 0.272892 0.357878 0.479936 -0.00801366 -0.0947799  -0.0385603  104 HIS   B HD2  
1301 H HE1  . HIS   A 92  ? 0.296805 0.440998 0.544467 0.0226345   -0.12943    -0.0434957  104 HIS   B HE1  
1303 N N    . LEU   A 93  ? 0.274774 0.304107 0.379159 0.00848895  -0.0520766  -0.0314858  105 LEU   B N    
1304 C CA   . LEU   A 93  ? 0.273307 0.291229 0.351324 0.0101516   -0.0407818  -0.0297433  105 LEU   B CA   
1305 C C    . LEU   A 93  ? 0.292272 0.311774 0.364102 0.0141664   -0.0295885  -0.02501    105 LEU   B C    
1306 O O    . LEU   A 93  ? 0.271627 0.303878 0.362526 0.01288     -0.0238247  -0.0211453  105 LEU   B O    
1307 C CB   . LEU   A 93  ? 0.266213 0.280867 0.346292 0.00180632  -0.0361046  -0.0258482  105 LEU   B CB   
1308 C CG   . LEU   A 93  ? 0.282866 0.290795 0.370084 -0.00011739 -0.0462662  -0.0301342  105 LEU   B CG   
1309 C CD1  . LEU   A 93  ? 0.320974 0.324602 0.4081   -0.0058316  -0.0423451  -0.0230953  105 LEU   B CD1  
1310 C CD2  . LEU   A 93  ? 0.300368 0.302317 0.369555 0.00789233  -0.0494204  -0.0401965  105 LEU   B CD2  
1311 H H    . LEU   A 93  ? 0.269341 0.307772 0.390979 0.00340807  -0.0492185  -0.0273756  105 LEU   B H    
1312 H HA   . LEU   A 93  ? 0.282242 0.293066 0.344848 0.0140428   -0.0439135  -0.0342222  105 LEU   B HA   
1313 H HB2  . LEU   A 93  ? 0.268031 0.288431 0.358722 -0.00287866 -0.0317375  -0.0204361  105 LEU   B HB2  
1314 H HB3  . LEU   A 93  ? 0.269565 0.279895 0.33434  0.00215184  -0.0297787  -0.0250376  105 LEU   B HB3  
1315 H HG   . LEU   A 93  ? 0.29277  0.302458 0.394868 -0.00271655 -0.0532787  -0.0310381  105 LEU   B HG   
1316 H HD11 . LEU   A 93  ? 0.308265 0.315022 0.402128 -0.0117621  -0.0386698  -0.016212   105 LEU   B HD11 
1317 H HD12 . LEU   A 93  ? 0.314404 0.311218 0.406822 -0.00524659 -0.0494391  -0.025575   105 LEU   B HD12 
1318 H HD13 . LEU   A 93  ? 0.305625 0.309739 0.379977 -0.00422442 -0.0368831  -0.0229327  105 LEU   B HD13 
1319 H HD21 . LEU   A 93  ? 0.302287 0.304465 0.369022 0.0111503   -0.05452    -0.0443003  105 LEU   B HD21 
1320 H HD22 . LEU   A 93  ? 0.294159 0.296764 0.350284 0.008754    -0.0418621  -0.0387147  105 LEU   B HD22 
1321 H HD23 . LEU   A 93  ? 0.301173 0.298313 0.373795 0.00861777  -0.053785   -0.0440407  105 LEU   B HD23 
1322 N N    . LEU   A 94  ? 0.28462  0.290325 0.329685 0.0183308   -0.0249308  -0.025652   106 LEU   B N    
1323 C CA   . LEU   A 94  ? 0.309777 0.307009 0.342017 0.021359    -0.0135071  -0.0225182  106 LEU   B CA   
1324 C C    . LEU   A 94  ? 0.312924 0.298166 0.322738 0.0127078   -0.00509987 -0.0218628  106 LEU   B C    
1325 O O    . LEU   A 94  ? 0.284374 0.264572 0.280837 0.0101343   -0.00783218 -0.0239896  106 LEU   B O    
1326 C CB   . LEU   A 94  ? 0.309716 0.295131 0.328374 0.0329143   -0.0172177  -0.0225838  106 LEU   B CB   
1327 C CG   . LEU   A 94  ? 0.340852 0.312517 0.348753 0.0397399   -0.00707641 -0.0207956  106 LEU   B CG   
1328 C CD1  . LEU   A 94  ? 0.319788 0.312651 0.358703 0.0458613   -0.00199443 -0.0211581  106 LEU   B CD1  
1329 C CD2  . LEU   A 94  ? 0.37399  0.325027 0.361757 0.0508023   -0.0127517  -0.0189939  106 LEU   B CD2  
1330 H H    . LEU   A 94  ? 0.295943 0.295645 0.328892 0.0188899   -0.0283605  -0.0284711  106 LEU   B H    
1331 H HA   . LEU   A 94  ? 0.299233 0.305801 0.346151 0.0208753   -0.00904304 -0.0208062  106 LEU   B HA   
1332 H HB2  . LEU   A 94  ? 0.31641  0.312317 0.350708 0.0382852   -0.0258312  -0.0234106  106 LEU   B HB2  
1333 H HB3  . LEU   A 94  ? 0.324513 0.29908  0.324244 0.031466    -0.0193256  -0.0232267  106 LEU   B HB3  
1334 H HG   . LEU   A 94  ? 0.338614 0.300527 0.332    0.0324302   0.00089848  -0.0207472  106 LEU   B HG   
1335 H HD11 . LEU   A 94  ? 0.312718 0.315566 0.360083 0.0371206   0.00302105  -0.0207467  106 LEU   B HD11 
1336 H HD12 . LEU   A 94  ? 0.337995 0.320736 0.369074 0.0524444   0.0050437   -0.0217431  106 LEU   B HD12 
1337 H HD13 . LEU   A 94  ? 0.32141  0.327872 0.378952 0.0516694   -0.0107697  -0.0213255  106 LEU   B HD13 
1338 H HD21 . LEU   A 94  ? 0.377821 0.316495 0.344878 0.0453644   -0.0137371  -0.018188   106 LEU   B HD21 
1339 H HD22 . LEU   A 94  ? 0.371787 0.33304  0.373138 0.0585682   -0.0223768  -0.0189197  106 LEU   B HD22 
1340 H HD23 . LEU   A 94  ? 0.384766 0.32326  0.365236 0.0558237   -0.00629531 -0.0185524  106 LEU   B HD23 
1341 N N    . ILE   A 95  ? 0.296827 0.280158 0.302839 0.00763186  0.00492656  -0.0197321  107 ILE   B N    
1342 C CA   . ILE   A 95  ? 0.299845 0.278434 0.291086 -0.00332247 0.00887892  -0.0190121  107 ILE   B CA   
1343 C C    . ILE   A 95  ? 0.325414 0.285895 0.291966 -0.00636023 0.0187288   -0.0201484  107 ILE   B C    
1344 O O    . ILE   A 95  ? 0.324699 0.283076 0.291332 -0.00267288 0.0262214   -0.0206161  107 ILE   B O    
1345 C CB   . ILE   A 95  ? 0.309124 0.300617 0.315711 -0.00958095 0.00767982  -0.0150186  107 ILE   B CB   
1346 C CG1  . ILE   A 95  ? 0.29287  0.294979 0.322735 -0.00740132 -0.00358775 -0.0150754  107 ILE   B CG1  
1347 C CG2  . ILE   A 95  ? 0.294324 0.283071 0.286513 -0.0195727  0.00825857  -0.013239   107 ILE   B CG2  
1348 C CD1  . ILE   A 95  ? 0.313393 0.322851 0.359786 -0.0133376  -0.0044648  -0.00895935 107 ILE   B CD1  
1349 H H    . ILE   A 95  ? 0.304783 0.291047 0.317494 0.0112634   0.00907864  -0.0191752  107 ILE   B H    
1350 H HA   . ILE   A 95  ? 0.301037 0.279498 0.288434 -0.0051157  0.00505631  -0.020355   107 ILE   B HA   
1351 H HB   . ILE   A 95  ? 0.305074 0.298838 0.315403 -0.0086034  0.0132827   -0.0135677  107 ILE   B HB   
1352 H HG12 . ILE   A 95  ? 0.296288 0.297633 0.323096 -0.00830113 -0.00780096 -0.0169183  107 ILE   B HG12 
1353 H HG13 . ILE   A 95  ? 0.298232 0.301663 0.333907 -0.00151346 -0.00634159 -0.0175356  107 ILE   B HG13 
1354 H HG21 . ILE   A 95  ? 0.296536 0.291337 0.297275 -0.0225291  0.00470824  -0.0094686  107 ILE   B HG21 
1355 H HG22 . ILE   A 95  ? 0.297897 0.286283 0.286412 -0.0204318  0.00515407  -0.0155481  107 ILE   B HG22 
1356 H HG23 . ILE   A 95  ? 0.310974 0.292229 0.288754 -0.0223237  0.0147956   -0.0136277  107 ILE   B HG23 
1357 H HD11 . ILE   A 95  ? 0.309085 0.322923 0.359801 -0.0130981  0.00187108  -0.00739754 107 ILE   B HD11 
1358 H HD12 . ILE   A 95  ? 0.302688 0.31468  0.362687 -0.0125098  -0.0121805  -0.00980837 107 ILE   B HD12 
1359 H HD13 . ILE   A 95  ? 0.309331 0.316053 0.347872 -0.0186265  -0.00377128 -0.00557045 107 ILE   B HD13 
1360 N N    . LYS   A 96  ? 0.312199 0.260202 0.258891 -0.013367   0.0192822   -0.0215077  108 LYS   B N    
1361 C CA   . LYS   A 96  ? 0.359113 0.285773 0.279977 -0.0205706  0.0265641   -0.0237855  108 LYS   B CA   
1362 C C    . LYS   A 96  ? 0.331614 0.265317 0.248823 -0.0308807  0.0278033   -0.0238458  108 LYS   B C    
1363 O O    . LYS   A 96  ? 0.326936 0.280703 0.259923 -0.0341275  0.021766    -0.0202943  108 LYS   B O    
1364 C CB   . LYS   A 96  ? 0.42033  0.335201 0.324069 -0.0305524  0.025856    -0.0241578  108 LYS   B CB   
1365 C CG   . LYS   A 96  ? 0.399382 0.299205 0.294494 -0.0226152  0.0251042   -0.0222195  108 LYS   B CG   
1366 C CD   . LYS   A 96  ? 0.415287 0.301463 0.289572 -0.0364152  0.0277295   -0.0208777  108 LYS   B CD   
1367 C CE   . LYS   A 96  ? 0.545056 0.411017 0.402395 -0.0299579  0.027042    -0.0163997  108 LYS   B CE   
1368 N NZ   . LYS   A 96  ? 0.600141 0.453549 0.436241 -0.0482174  0.0324587   -0.0137615  108 LYS   B NZ   
1369 H H    . LYS   A 96  ? 0.318023 0.270612 0.266813 -0.0146713  0.0153308   -0.021576   108 LYS   B H    
1370 H HA   . LYS   A 96  ? 0.36972  0.284022 0.285187 -0.0129127  0.0308606   -0.0251487  108 LYS   B HA   
1371 H HB2  . LYS   A 96  ? 0.387171 0.318868 0.300706 -0.0360917  0.0222323   -0.0235728  108 LYS   B HB2  
1372 H HB3  . LYS   A 96  ? 0.417639 0.317717 0.304808 -0.0379897  0.0293773   -0.0261067  108 LYS   B HB3  
1373 H HG2  . LYS   A 96  ? 0.420168 0.304033 0.308499 -0.0145239  0.0271917   -0.0224982  108 LYS   B HG2  
1374 H HG3  . LYS   A 96  ? 0.390107 0.304628 0.299443 -0.016482   0.0205442   -0.0213462  108 LYS   B HG3  
1375 H HD2  . LYS   A 96  ? 0.424159 0.330532 0.308849 -0.0432051  0.0264735   -0.0213797  108 LYS   B HD2  
1376 H HD3  . LYS   A 96  ? 0.456095 0.326168 0.316352 -0.0441824  0.0311242   -0.0223302  108 LYS   B HD3  
1377 H HE2  . LYS   A 96  ? 0.539748 0.385249 0.388191 -0.0213871  0.0269715   -0.0155802  108 LYS   B HE2  
1378 H HE3  . LYS   A 96  ? 0.509313 0.390354 0.377423 -0.0232246  0.0229823   -0.0159278  108 LYS   B HE3  
1379 H HZ1  . LYS   A 96  ? 0.603459 0.440656 0.428828 -0.0556546  0.0351251   -0.0147363  108 LYS   B HZ1  
1380 H HZ2  . LYS   A 96  ? 0.572704 0.448805 0.420315 -0.0551148  0.0331358   -0.0151821  108 LYS   B HZ2  
1381 H HZ3  . LYS   A 96  ? 0.606534 0.445555 0.428405 -0.0456462  0.0324453   -0.00971112 108 LYS   B HZ3  
1382 N N    . PRO   A 97  ? 0.358337 0.272491 0.2517   -0.0349353  0.0351859   -0.0279627  109 PRO   B N    
1383 C CA   . PRO   A 97  ? 0.340057 0.258805 0.222862 -0.0445127  0.0358385   -0.0280047  109 PRO   B CA   
1384 C C    . PRO   A 97  ? 0.343467 0.275762 0.227278 -0.0582555  0.0250076   -0.0252688  109 PRO   B C    
1385 O O    . PRO   A 97  ? 0.36185  0.305314 0.245921 -0.0624308  0.0207174   -0.0211047  109 PRO   B O    
1386 C CB   . PRO   A 97  ? 0.424211 0.313578 0.275311 -0.0458474  0.0455343   -0.0362264  109 PRO   B CB   
1387 C CG   . PRO   A 97  ? 0.412772 0.277749 0.256816 -0.039628   0.0476093   -0.0394383  109 PRO   B CG   
1388 C CD   . PRO   A 97  ? 0.400428 0.284477 0.2739   -0.0283911  0.042588    -0.0330383  109 PRO   B CD   
1389 H HA   . PRO   A 97  ? 0.34636  0.27667  0.24066  -0.039764   0.0376917   -0.0249806  109 PRO   B HA   
1390 H HB2  . PRO   A 97  ? 0.420476 0.304478 0.255117 -0.0573626  0.0426964   -0.038286   109 PRO   B HB2  
1391 H HB3  . PRO   A 97  ? 0.412732 0.303292 0.263534 -0.039214   0.052924    -0.0374218  109 PRO   B HB3  
1392 H HG2  . PRO   A 97  ? 0.43275  0.287185 0.264437 -0.0505061  0.0441766   -0.0405931  109 PRO   B HG2  
1393 H HG3  . PRO   A 97  ? 0.442709 0.290351 0.275654 -0.0319182  0.0549676   -0.0442321  109 PRO   B HG3  
1394 H HD2  . PRO   A 97  ? 0.398697 0.27265  0.267098 -0.029734   0.0400322   -0.0322394  109 PRO   B HD2  
1395 H HD3  . PRO   A 97  ? 0.392098 0.278243 0.274991 -0.0163955  0.0462838   -0.0333179  109 PRO   B HD3  
1396 N N    . GLU   A 98  ? 0.365212 0.29843  0.251407 -0.0645273  0.0206642   -0.0266264  110 GLU   B N    
1397 C CA   . GLU   A 98  ? 0.377399 0.331325 0.272573 -0.0760908  0.0103033   -0.0249808  110 GLU   B CA   
1398 C C    . GLU   A 98  ? 0.327191 0.307145 0.251104 -0.0676551  0.00215777  -0.0189357  110 GLU   B C    
1399 O O    . GLU   A 98  ? 0.351859 0.349171 0.284186 -0.0732557  -0.00832514 -0.016375   110 GLU   B O    
1400 C CB   . GLU   A 98  ? 0.442017 0.399033 0.339757 -0.0854196  0.0101463   -0.0274677  110 GLU   B CB   
1401 C CG   . GLU   A 98  ? 0.500183 0.425826 0.367478 -0.0980948  0.0157998   -0.0326555  110 GLU   B CG   
1402 C CD   . GLU   A 98  ? 0.590175 0.479958 0.437914 -0.0876399  0.0258969   -0.0345288  110 GLU   B CD   
1403 O OE1  . GLU   A 98  ? 0.405931 0.29718  0.265586 -0.0710655  0.0287815   -0.0313267  110 GLU   B OE1  
1404 O OE2  . GLU   A 98  ? 0.6239   0.481918 0.44255  -0.0950736  0.0294828   -0.0404445  110 GLU   B OE2  
1405 H H    . GLU   A 98  ? 0.368137 0.290688 0.251319 -0.0615529  0.0241387   -0.0281409  110 GLU   B H    
1406 H HA   . GLU   A 98  ? 0.394895 0.344152 0.275306 -0.0840648  0.00806231  -0.0261788  110 GLU   B HA   
1407 H HB2  . GLU   A 98  ? 0.420766 0.380295 0.328083 -0.0777714  0.0129027   -0.0264379  110 GLU   B HB2  
1408 H HB3  . GLU   A 98  ? 0.424172 0.401414 0.334249 -0.0913571  0.00335574  -0.0266668  110 GLU   B HB3  
1409 H HG2  . GLU   A 98  ? 0.512264 0.444088 0.383154 -0.10798    0.014936    -0.0329203  110 GLU   B HG2  
1410 H HG3  . GLU   A 98  ? 0.523814 0.444782 0.378637 -0.105156   0.0128392   -0.0350337  110 GLU   B HG3  
1411 N N    . TYR   A 99  ? 0.30444  0.286204 0.243801 -0.0545735  0.00469073  -0.0169268  111 TYR   B N    
1412 C CA   . TYR   A 99  ? 0.278678 0.277088 0.242466 -0.047545   -0.00355596 -0.0124311  111 TYR   B CA   
1413 C C    . TYR   A 99  ? 0.303672 0.296746 0.26644  -0.0450622  -0.00177532 -0.00645475 111 TYR   B C    
1414 O O    . TYR   A 99  ? 0.297152 0.29634  0.278088 -0.0401811  -0.00744819 -0.00162834 111 TYR   B O    
1415 C CB   . TYR   A 99  ? 0.311121 0.314878 0.291914 -0.037685   -0.00347074 -0.015733   111 TYR   B CB   
1416 C CG   . TYR   A 99  ? 0.269617 0.283922 0.252319 -0.0417165  -0.00324152 -0.0203467  111 TYR   B CG   
1417 C CD1  . TYR   A 99  ? 0.276289 0.278841 0.240499 -0.0485464  0.00485381  -0.0231158  111 TYR   B CD1  
1418 C CD2  . TYR   A 99  ? 0.29906  0.335342 0.302287 -0.0396338  -0.010341   -0.0215537  111 TYR   B CD2  
1419 C CE1  . TYR   A 99  ? 0.275196 0.288777 0.240645 -0.0558805  0.00769881  -0.0259131  111 TYR   B CE1  
1420 C CE2  . TYR   A 99  ? 0.326133 0.379087 0.33498  -0.0444482  -0.00716787 -0.0261957  111 TYR   B CE2  
1421 C CZ   . TYR   A 99  ? 0.333682 0.376695 0.323767 -0.0539964  0.0027409   -0.0279819  111 TYR   B CZ   
1422 O OH   . TYR   A 99  ? 0.327366 0.38911  0.323191 -0.0627084  0.00812802  -0.0312511  111 TYR   B OH   
1423 H H    . TYR   A 99  ? 0.306975 0.278013 0.241427 -0.0500223  0.0107239   -0.0187195  111 TYR   B H    
1424 H HA   . TYR   A 99  ? 0.292075 0.301201 0.261058 -0.0512648  -0.0106814  -0.011139   111 TYR   B HA   
1425 H HB2  . TYR   A 99  ? 0.292464 0.286365 0.267447 -0.0341778  0.00185172  -0.0169169  111 TYR   B HB2  
1426 H HB3  . TYR   A 99  ? 0.282238 0.292313 0.277636 -0.032644   -0.00891616 -0.0138196  111 TYR   B HB3  
1427 H HD1  . TYR   A 99  ? 0.286775 0.272402 0.237446 -0.0477483  0.00912937  -0.0227638  111 TYR   B HD1  
1428 H HD2  . TYR   A 99  ? 0.290973 0.331315 0.30537  -0.0347113  -0.0169865  -0.0190773  111 TYR   B HD2  
1429 H HE1  . TYR   A 99  ? 0.304721 0.306449 0.255346 -0.0620383  0.0133142   -0.026322   111 TYR   B HE1  
1430 H HE2  . TYR   A 99  ? 0.312047 0.383079 0.3383   -0.0408699  -0.011231   -0.028001   111 TYR   B HE2  
1432 N N    . ALA   A 100 ? 0.306084 0.286324 0.245884 -0.0496121  0.00731383  -0.00709026 112 ALA   B N    
1433 C CA   . ALA   A 100 ? 0.325019 0.304535 0.263309 -0.049182   0.0126692   -0.00128568 112 ALA   B CA   
1434 C C    . ALA   A 100 ? 0.341169 0.311718 0.247149 -0.0597279  0.0148476   8.585e-05   112 ALA   B C    
1435 O O    . ALA   A 100 ? 0.370272 0.345075 0.271069 -0.066266   0.00288958  0.00637033  112 ALA   B O    
1436 C CB   . ALA   A 100 ? 0.345543 0.322474 0.290088 -0.0408118  0.025082    -0.00506302 112 ALA   B CB   
1437 H H    . ALA   A 100 ? 0.32297  0.294642 0.24775  -0.0533915  0.0108072   -0.011464   112 ALA   B H    
1438 H HA   . ALA   A 100 ? 0.316534 0.303195 0.269416 -0.0482351  0.00604189  0.00441948  112 ALA   B HA   
1439 H HB1  . ALA   A 100 ? 0.323368 0.306948 0.287414 -0.0352108  0.0214359   -0.00478207 112 ALA   B HB1  
1440 H HB2  . ALA   A 100 ? 0.347055 0.31405  0.279181 -0.0393028  0.0299637   -0.0109568  112 ALA   B HB2  
1441 H HB3  . ALA   A 100 ? 0.347206 0.325855 0.288924 -0.0423393  0.0315448   -0.00200102 112 ALA   B HB3  
1442 N N    . TYR   A 101 ? 0.367728 0.325662 0.251719 -0.0598467  0.0290076   -0.00588466 113 TYR   B N    
1443 C CA   . TYR   A 101 ? 0.396422 0.343269 0.243574 -0.0695294  0.0329877   -0.0065291  113 TYR   B CA   
1444 C C    . TYR   A 101 ? 0.417538 0.344149 0.234405 -0.0752597  0.0349159   -0.0186992  113 TYR   B C    
1445 O O    . TYR   A 101 ? 0.45349  0.367358 0.234147 -0.0835631  0.038085    -0.0221309  113 TYR   B O    
1446 C CB   . TYR   A 101 ? 0.394466 0.342362 0.235198 -0.066407   0.0507609   -0.00473606 113 TYR   B CB   
1447 C CG   . TYR   A 101 ? 0.380034 0.344516 0.245977 -0.066399   0.049747    0.00842226  113 TYR   B CG   
1448 C CD1  . TYR   A 101 ? 0.417656 0.381929 0.270322 -0.0765399  0.0413831   0.0215203   113 TYR   B CD1  
1449 C CD2  . TYR   A 101 ? 0.350006 0.327856 0.25319  -0.057065   0.053845    0.00846307  113 TYR   B CD2  
1450 C CE1  . TYR   A 101 ? 0.399834 0.372574 0.274018 -0.0784105  0.0398528   0.0344227   113 TYR   B CE1  
1451 C CE2  . TYR   A 101 ? 0.353682 0.343873 0.280685 -0.0600118  0.0515747   0.019567    113 TYR   B CE2  
1452 C CZ   . TYR   A 101 ? 0.37456  0.360187 0.28732  -0.071036   0.0450002   0.0326035   113 TYR   B CZ   
1453 O OH   . TYR   A 101 ? 0.402764 0.392971 0.335601 -0.0763146  0.0409021   0.0452112   113 TYR   B OH   
1454 H H    . TYR   A 101 ? 0.361387 0.316534 0.251672 -0.0530071  0.036187    -0.0103747  113 TYR   B H    
1455 H HA   . TYR   A 101 ? 0.396162 0.348137 0.240727 -0.0755036  0.0223583   0.00039906  113 TYR   B HA   
1456 H HB2  . TYR   A 101 ? 0.396196 0.341288 0.242924 -0.0584021  0.0604636   -0.0118216  113 TYR   B HB2  
1457 H HB3  . TYR   A 101 ? 0.425837 0.365047 0.237512 -0.0728521  0.0544916   -0.00604346 113 TYR   B HB3  
1458 H HD1  . TYR   A 101 ? 0.429523 0.385855 0.256555 -0.0827872  0.0362296   0.0219596   113 TYR   B HD1  
1459 H HD2  . TYR   A 101 ? 0.346515 0.323519 0.257506 -0.0492681  0.0575618   0.0008758   113 TYR   B HD2  
1460 H HE1  . TYR   A 101 ? 0.418019 0.386455 0.280968 -0.0850784  0.0333731   0.044635    113 TYR   B HE1  
1461 H HE2  . TYR   A 101 ? 0.33671  0.336439 0.28892  -0.0549416  0.0527813   0.0186196   113 TYR   B HE2  
1463 N N    . GLY   A 102 ? 0.40945  0.330842 0.236511 -0.0733132  0.0319724   -0.0245679  114 GLY   B N    
1464 C CA   . GLY   A 102 ? 0.448852 0.351512 0.251501 -0.0843767  0.0283613   -0.0335753  114 GLY   B CA   
1465 C C    . GLY   A 102 ? 0.500185 0.371233 0.266832 -0.0836975  0.0419442   -0.045499   114 GLY   B C    
1466 O O    . GLY   A 102 ? 0.481501 0.347906 0.246259 -0.0711163  0.0569644   -0.0480526  114 GLY   B O    
1467 H H    . GLY   A 102 ? 0.390866 0.319541 0.239816 -0.0659742  0.0321278   -0.0227409  114 GLY   B H    
1468 H HA2  . GLY   A 102 ? 0.435515 0.33874  0.25152  -0.0832771  0.0261639   -0.0344354  114 GLY   B HA2  
1469 H HA3  . GLY   A 102 ? 0.453251 0.362954 0.249516 -0.0941853  0.0181777   -0.031267   114 GLY   B HA3  
1470 N N    . SER   A 103 ? 0.521272 0.372566 0.257477 -0.0985278  0.0362434   -0.0536989  115 SER   B N    
1471 C CA   . SER   A 103 ? 0.567488 0.381563 0.264501 -0.0983252  0.0479724   -0.0679969  115 SER   B CA   
1472 C C    . SER   A 103 ? 0.562818 0.376751 0.231523 -0.0983657  0.0556557   -0.0702646  115 SER   B C    
1473 O O    . SER   A 103 ? 0.586628 0.377225 0.230586 -0.0898289  0.0721572   -0.0818712  115 SER   B O    
1474 C CB   . SER   A 103 ? 0.661748 0.449748 0.33491  -0.116178   0.0389134   -0.0771973  115 SER   B CB   
1475 O OG   . SER   A 103 ? 0.637366 0.445821 0.307326 -0.13441    0.0213072   -0.0730755  115 SER   B OG   
1476 H H    . SER   A 103 ? 0.51905  0.379846 0.259276 -0.108861   0.0246715   -0.0512695  115 SER   B H    
1477 H HA   . SER   A 103 ? 0.568879 0.374067 0.274412 -0.0852902  0.0579139   -0.0702688  115 SER   B HA   
1478 H HB2  . SER   A 103 ? 0.67716  0.436657 0.321113 -0.115966   0.0461102   -0.0878678  115 SER   B HB2  
1479 H HB3  . SER   A 103 ? 0.62736  0.412837 0.316418 -0.115681   0.0375018   -0.0753051  115 SER   B HB3  
1481 N N    . ALA   A 104 ? 0.526735 0.364408 0.195352 -0.106976   0.0448889   -0.0594711  116 ALA   B N    
1482 C CA   . ALA   A 104 ? 0.555931 0.391216 0.192641 -0.107506   0.0547166   -0.0595965  116 ALA   B CA   
1483 C C    . ALA   A 104 ? 0.527589 0.376507 0.183653 -0.0911805  0.0756089   -0.0551001  116 ALA   B C    
1484 O O    . ALA   A 104 ? 0.569106 0.410116 0.194511 -0.0889717  0.0934239   -0.0611429  116 ALA   B O    
1485 C CB   . ALA   A 104 ? 0.57869  0.42993  0.203064 -0.121308   0.0361407   -0.0473021  116 ALA   B CB   
1486 H H    . ALA   A 104 ? 0.511054 0.365168 0.197957 -0.112021   0.0319878   -0.0520331  116 ALA   B H    
1487 H HA   . ALA   A 104 ? 0.594696 0.405779 0.198567 -0.110627   0.0604292   -0.0721405  116 ALA   B HA   
1488 H HB1  . ALA   A 104 ? 0.58931  0.433265 0.199003 -0.132301   0.0232634   -0.0519661  116 ALA   B HB1  
1489 H HB2  . ALA   A 104 ? 0.540215 0.411806 0.195949 -0.118166   0.0288569   -0.0359111  116 ALA   B HB2  
1490 H HB3  . ALA   A 104 ? 0.598963 0.446829 0.198218 -0.122232   0.0439203   -0.0460893  116 ALA   B HB3  
1491 N N    . GLY   A 105 ? 0.516228 0.387801 0.220688 -0.0820679  0.0728159   -0.0448475  117 GLY   B N    
1492 C CA   . GLY   A 105 ? 0.491166 0.383338 0.221273 -0.0709748  0.0878553   -0.0378136  117 GLY   B CA   
1493 C C    . GLY   A 105 ? 0.505118 0.412669 0.227021 -0.080766   0.0861545   -0.0230249  117 GLY   B C    
1494 O O    . GLY   A 105 ? 0.495265 0.39926  0.195765 -0.0934681  0.0694646   -0.0161569  117 GLY   B O    
1495 H H    . GLY   A 105 ? 0.483258 0.358436 0.20511  -0.083565   0.061608    -0.0425887  117 GLY   B H    
1496 H HA2  . GLY   A 105 ? 0.462755 0.366133 0.226004 -0.0643597  0.0837509   -0.0338535  117 GLY   B HA2  
1497 H HA3  . GLY   A 105 ? 0.513575 0.398001 0.234129 -0.0633842  0.103581    -0.0467933  117 GLY   B HA3  
1498 N N    . SER   A 106 ? 0.48972  0.413    0.22431  -0.0752748  0.105476    -0.0186939  118 SER   B N    
1499 C CA   . SER   A 106 ? 0.530176 0.463578 0.251467 -0.0860042  0.109607    -0.00397718 118 SER   B CA   
1500 C C    . SER   A 106 ? 0.537425 0.483548 0.25891  -0.0807703  0.139766    -0.00804331 118 SER   B C    
1501 O O    . SER   A 106 ? 0.520863 0.491654 0.280862 -0.0788657  0.148033    0.0011728   118 SER   B O    
1502 C CB   . SER   A 106 ? 0.492934 0.442503 0.253564 -0.0888054  0.0932726   0.0139751   118 SER   B CB   
1503 O OG   . SER   A 106 ? 0.516262 0.463851 0.250732 -0.102313   0.0914501   0.0300936   118 SER   B OG   
1504 H H    . SER   A 106 ? 0.490461 0.41841  0.243112 -0.0648847  0.116217    -0.0248183  118 SER   B H    
1505 H HA   . SER   A 106 ? 0.551342 0.471875 0.236398 -0.0951582  0.103351    -0.00324115 118 SER   B HA   
1506 H HB2  . SER   A 106 ? 0.473577 0.419261 0.242625 -0.0880883  0.0765733   0.0136294   118 SER   B HB2  
1507 H HB3  . SER   A 106 ? 0.470396 0.433862 0.26265  -0.0824051  0.100912    0.0144302   118 SER   B HB3  
1509 N N    . LEU   A 107 ? 0.560668 0.490919 0.237498 -0.0800304  0.156436    -0.0222531  119 LEU   B N    
1510 C CA   . LEU   A 107 ? 0.571321 0.5166   0.249475 -0.0720136  0.188512    -0.0298233  119 LEU   B CA   
1511 C C    . LEU   A 107 ? 0.614268 0.578198 0.284398 -0.0873148  0.198993    -0.011      119 LEU   B C    
1512 O O    . LEU   A 107 ? 0.631112 0.579972 0.258907 -0.104114   0.186629    0.00155447  119 LEU   B O    
1513 C CB   . LEU   A 107 ? 0.628488 0.546211 0.254147 -0.0671201  0.202765    -0.0517445  119 LEU   B CB   
1514 C CG   . LEU   A 107 ? 0.629995 0.527222 0.267558 -0.0498067  0.19925     -0.070905   119 LEU   B CG   
1515 C CD1  . LEU   A 107 ? 0.678282 0.542397 0.259564 -0.0465216  0.2132      -0.0930985  119 LEU   B CD1  
1516 C CD2  . LEU   A 107 ? 0.602271 0.52334  0.300055 -0.02938    0.208471    -0.073068   119 LEU   B CD2  
1517 H H    . LEU   A 107 ? 0.582884 0.493667 0.228869 -0.084498   0.147947    -0.0281343  119 LEU   B H    
1518 H HA   . LEU   A 107 ? 0.551803 0.511965 0.270447 -0.060176   0.192826    -0.0327781  119 LEU   B HA   
1519 H HB2  . LEU   A 107 ? 0.65562  0.555622 0.242217 -0.0791952  0.191739    -0.0497936  119 LEU   B HB2  
1520 H HB3  . LEU   A 107 ? 0.656437 0.585258 0.274746 -0.0640838  0.225789    -0.055615   119 LEU   B HB3  
1521 H HG   . LEU   A 107 ? 0.608385 0.494252 0.24783  -0.0555598  0.177778    -0.0670866  119 LEU   B HG   
1522 H HD11 . LEU   A 107 ? 0.706061 0.554869 0.248791 -0.060841   0.203215    -0.0914065  119 LEU   B HD11 
1523 H HD12 . LEU   A 107 ? 0.68154  0.527026 0.267778 -0.0367211  0.209229    -0.104316   119 LEU   B HD12 
1524 H HD13 . LEU   A 107 ? 0.704567 0.580141 0.281736 -0.039987   0.236062    -0.0984151  119 LEU   B HD13 
1525 H HD21 . LEU   A 107 ? 0.560455 0.49274  0.289101 -0.0317433  0.193263    -0.0620189  119 LEU   B HD21 
1526 H HD22 . LEU   A 107 ? 0.606913 0.550354 0.315935 -0.0259278  0.227332    -0.0721607  119 LEU   B HD22 
1527 H HD23 . LEU   A 107 ? 0.609468 0.512269 0.303914 -0.0172336  0.210353    -0.0865101  119 LEU   B HD23 
1528 N N    . PRO   A 108 ? 0.648188 0.641995 0.343633 -0.082583   0.227757    -0.0115002  120 PRO   B N    
1529 C CA   . PRO   A 108 ? 0.655307 0.665854 0.388268 -0.0603831  0.245673    -0.0295257  120 PRO   B CA   
1530 C C    . PRO   A 108 ? 0.556005 0.589124 0.358764 -0.0499553  0.232347    -0.0250133  120 PRO   B C    
1531 O O    . PRO   A 108 ? 0.570499 0.612061 0.404403 -0.0289878  0.23876     -0.0391885  120 PRO   B O    
1532 C CB   . PRO   A 108 ? 0.672066 0.713509 0.406344 -0.0619431  0.281885    -0.0300132  120 PRO   B CB   
1533 C CG   . PRO   A 108 ? 0.716209 0.765808 0.440962 -0.0880824  0.277116    -0.00338048 120 PRO   B CG   
1534 C CD   . PRO   A 108 ? 0.717159 0.727959 0.399198 -0.0994843  0.244825    0.00519627  120 PRO   B CD   
1535 H HA   . PRO   A 108 ? 0.654768 0.643585 0.364878 -0.0515598  0.245524    -0.0444432  120 PRO   B HA   
1536 H HB2  . PRO   A 108 ? 0.662384 0.730061 0.441822 -0.0504932  0.291472    -0.0339219  120 PRO   B HB2  
1537 H HB3  . PRO   A 108 ? 0.724163 0.752533 0.419125 -0.0590228  0.296647    -0.0421336  120 PRO   B HB3  
1538 H HG2  . PRO   A 108 ? 0.673779 0.744568 0.443872 -0.089896   0.272444    0.00631912  120 PRO   B HG2  
1539 H HG3  . PRO   A 108 ? 0.744015 0.8016   0.444247 -0.0954976  0.29881     -0.00180442 120 PRO   B HG3  
1540 H HD2  . PRO   A 108 ? 0.688864 0.702748 0.38698  -0.109205   0.230259    0.0217069   120 PRO   B HD2  
1541 H HD3  . PRO   A 108 ? 0.749901 0.744599 0.381558 -0.107204   0.250242    0.0042119   120 PRO   B HD3  
1542 N N    . LYS   A 109 ? 0.55674  0.594024 0.380628 -0.0624761  0.210454    -0.00675754 121 LYS   B N    
1543 C CA   . LYS   A 109 ? 0.527856 0.585965 0.413682 -0.0539439  0.197783    -0.00362    121 LYS   B CA   
1544 C C    . LYS   A 109 ? 0.543751 0.58192  0.437191 -0.038753   0.178315    -0.0145663  121 LYS   B C    
1545 O O    . LYS   A 109 ? 0.537471 0.591875 0.473583 -0.0236095  0.176962    -0.0200184  121 LYS   B O    
1546 C CB   . LYS   A 109 ? 0.543766 0.608676 0.451386 -0.0703508  0.179884    0.0167797   121 LYS   B CB   
1547 C CG   . LYS   A 109 ? 0.604276 0.688214 0.509331 -0.0897097  0.198259    0.0326617   121 LYS   B CG   
1548 C CD   . LYS   A 109 ? 0.657886 0.738465 0.580943 -0.106476   0.178312    0.0534176   121 LYS   B CD   
1549 C CE   . LYS   A 109 ? 0.793028 0.884099 0.706302 -0.128825   0.195615    0.0717142   121 LYS   B CE   
1550 N NZ   . LYS   A 109 ? 0.8744   0.985612 0.840566 -0.138751   0.190269    0.0826206   121 LYS   B NZ   
1551 H H    . LYS   A 109 ? 0.564352 0.590546 0.363687 -0.0756722  0.202478    0.00344887  121 LYS   B H    
1552 H HA   . LYS   A 109 ? 0.536479 0.619552 0.449618 -0.0467986  0.213978    -0.00776576 121 LYS   B HA   
1553 H HB2  . LYS   A 109 ? 0.541159 0.584225 0.425988 -0.075533   0.163445    0.0209201   121 LYS   B HB2  
1554 H HB3  . LYS   A 109 ? 0.511153 0.588674 0.457279 -0.0640254  0.171723    0.0162171   121 LYS   B HB3  
1555 H HG2  . LYS   A 109 ? 0.60928  0.720016 0.541909 -0.0852055  0.215381    0.0283009   121 LYS   B HG2  
1556 H HG3  . LYS   A 109 ? 0.644588 0.71529  0.507266 -0.0958651  0.206721    0.0333704   121 LYS   B HG3  
1557 H HD2  . LYS   A 109 ? 0.660716 0.717107 0.560952 -0.108064   0.160542    0.0568071   121 LYS   B HD2  
1558 H HD3  . LYS   A 109 ? 0.63386  0.727799 0.59749  -0.10117    0.170633    0.0515079   121 LYS   B HD3  
1559 H HE2  . LYS   A 109 ? 0.809614 0.916415 0.715363 -0.12791    0.218969    0.0660988   121 LYS   B HE2  
1560 H HE3  . LYS   A 109 ? 0.812446 0.880109 0.689635 -0.138353   0.187117    0.0820035   121 LYS   B HE3  
1561 H HZ1  . LYS   A 109 ? 0.820374 0.956438 0.820594 -0.130667   0.198036    0.073652    121 LYS   B HZ1  
1562 H HZ2  . LYS   A 109 ? 0.818775 0.914456 0.791749 -0.13798    0.16918     0.0859184   121 LYS   B HZ2  
1563 H HZ3  . LYS   A 109 ? 0.864197 0.97839  0.822542 -0.154281   0.199935    0.0950574   121 LYS   B HZ3  
1564 N N    . ILE   A 110 ? 0.496785 0.501581 0.350929 -0.0440052  0.161561    -0.0164336  122 ILE   B N    
1565 C CA   . ILE   A 110 ? 0.43742  0.424884 0.299395 -0.0345178  0.143561    -0.0234995  122 ILE   B CA   
1566 C C    . ILE   A 110 ? 0.491457 0.44598  0.309903 -0.0300393  0.147513    -0.0393923  122 ILE   B C    
1567 O O    . ILE   A 110 ? 0.508456 0.445912 0.283624 -0.0430277  0.145524    -0.0394642  122 ILE   B O    
1568 C CB   . ILE   A 110 ? 0.466404 0.447026 0.331486 -0.0454849  0.117155    -0.0121318  122 ILE   B CB   
1569 C CG1  . ILE   A 110 ? 0.487452 0.489388 0.38309  -0.0538784  0.110781    0.00405544  122 ILE   B CG1  
1570 C CG2  . ILE   A 110 ? 0.442237 0.411991 0.321889 -0.0347442  0.104165    -0.0196753  122 ILE   B CG2  
1571 C CD1  . ILE   A 110 ? 0.487566 0.513107 0.434007 -0.0432677  0.112275    0.00296472  122 ILE   B CD1  
1572 H H    . ILE   A 110 ? 0.52102  0.515463 0.34355  -0.0545427  0.16165     -0.01267    122 ILE   B H    
1573 H HA   . ILE   A 110 ? 0.441421 0.441482 0.334959 -0.0234721  0.145055    -0.0260774  122 ILE   B HA   
1574 H HB   . ILE   A 110 ? 0.480206 0.446662 0.313853 -0.0541634  0.112996    -0.011399   122 ILE   B HB   
1575 H HG12 . ILE   A 110 ? 0.503464 0.510169 0.386572 -0.0618586  0.120908    0.00979345  122 ILE   B HG12 
1576 H HG13 . ILE   A 110 ? 0.472415 0.467071 0.36619  -0.0589385  0.0947419   0.00965251  122 ILE   B HG13 
1577 H HG21 . ILE   A 110 ? 0.420635 0.394186 0.313875 -0.0384791  0.0902515   -0.0131169  122 ILE   B HG21 
1578 H HG22 . ILE   A 110 ? 0.434556 0.412576 0.335247 -0.02351    0.110495    -0.0238745  122 ILE   B HG22 
1579 H HG23 . ILE   A 110 ? 0.459065 0.409211 0.312598 -0.0356546  0.103188    -0.0267728  122 ILE   B HG23 
1580 H HD11 . ILE   A 110 ? 0.458566 0.478404 0.415199 -0.037295   0.0998081   -4.576e-05  122 ILE   B HD11 
1581 H HD12 . ILE   A 110 ? 0.471415 0.509347 0.434726 -0.0508506  0.110766    0.0124296   122 ILE   B HD12 
1582 H HD13 . ILE   A 110 ? 0.48536  0.51935  0.437227 -0.0350946  0.126604    -0.00417401 122 ILE   B HD13 
1583 N N    . PRO   A 111 ? 0.489783 0.432627 0.31693  -0.0122846  0.152041    -0.0526125  123 PRO   B N    
1584 C CA   . PRO   A 111 ? 0.529052 0.433033 0.313294 -0.0089588  0.155234    -0.0685361  123 PRO   B CA   
1585 C C    . PRO   A 111 ? 0.490032 0.370113 0.26064  -0.0199498  0.131758    -0.066367   123 PRO   B C    
1586 O O    . PRO   A 111 ? 0.491028 0.386825 0.289613 -0.0243626  0.116101    -0.0546035  123 PRO   B O    
1587 C CB   . PRO   A 111 ? 0.566341 0.468022 0.371106 0.015679    0.168214    -0.0803924  123 PRO   B CB   
1588 C CG   . PRO   A 111 ? 0.580171 0.515195 0.441543 0.0239996   0.160128    -0.0692941  123 PRO   B CG   
1589 C CD   . PRO   A 111 ? 0.505915 0.470062 0.382818 0.00573583  0.153579    -0.0528866  123 PRO   B CD   
1590 H HA   . PRO   A 111 ? 0.558385 0.456419 0.31226  -0.015508   0.164662    -0.0723217  123 PRO   B HA   
1591 H HB2  . PRO   A 111 ? 0.587712 0.460136 0.37616  0.0200207   0.162939    -0.0880587  123 PRO   B HB2  
1592 H HB3  . PRO   A 111 ? 0.596205 0.504127 0.393955 0.0216431   0.186263    -0.0873818  123 PRO   B HB3  
1593 H HG2  . PRO   A 111 ? 0.541964 0.463515 0.408321 0.0269429   0.146554    -0.0682719  123 PRO   B HG2  
1594 H HG3  . PRO   A 111 ? 0.558611 0.509096 0.441339 0.0382252   0.172088    -0.0737949  123 PRO   B HG3  
1595 H HD2  . PRO   A 111 ? 0.475632 0.443739 0.371063 0.00356008  0.138304    -0.0459191  123 PRO   B HD2  
1596 H HD3  . PRO   A 111 ? 0.501603 0.491238 0.398517 0.00769712  0.165431    -0.050331   123 PRO   B HD3  
1597 N N    . SER   A 112 ? 0.551527 0.393834 0.280254 -0.0238043  0.131182    -0.0794802  124 SER   B N    
1598 C CA   . SER   A 112 ? 0.525785 0.346648 0.242688 -0.0362809  0.111512    -0.0790142  124 SER   B CA   
1599 C C    . SER   A 112 ? 0.516736 0.338417 0.268388 -0.0257606  0.103211    -0.07438    124 SER   B C    
1600 O O    . SER   A 112 ? 0.523007 0.337    0.286918 -0.0065727  0.112612    -0.0798205  124 SER   B O    
1601 C CB   . SER   A 112 ? 0.582759 0.358723 0.247741 -0.0425232  0.114806    -0.0964945  124 SER   B CB   
1602 O OG   . SER   A 112 ? 0.57848  0.334512 0.239322 -0.0554012  0.0968765   -0.0958739  124 SER   B OG   
1603 H H    . SER   A 112 ? 0.573283 0.403475 0.280724 -0.0191494  0.144071    -0.0895024  124 SER   B H    
1604 H HA   . SER   A 112 ? 0.519196 0.353879 0.236885 -0.0488222  0.101082    -0.070437   124 SER   B HA   
1605 H HB2  . SER   A 112 ? 0.602802 0.379445 0.242833 -0.0523352  0.116021    -0.0981123  124 SER   B HB2  
1606 H HB3  . SER   A 112 ? 0.604159 0.36501  0.264999 -0.0284808  0.127151    -0.106001   124 SER   B HB3  
1608 N N    . ASN   A 113 ? 0.469523 0.299302 0.234159 -0.0372102  0.0859335   -0.0652301  125 ASN   B N    
1609 C CA   . ASN   A 113 ? 0.51721  0.338761 0.299705 -0.0310438  0.0785428   -0.0624898  125 ASN   B CA   
1610 C C    . ASN   A 113 ? 0.466729 0.312272 0.288801 -0.0117885  0.0814684   -0.0563453  125 ASN   B C    
1611 O O    . ASN   A 113 ? 0.527438 0.357204 0.355661 0.00203397  0.0811696   -0.0579102  125 ASN   B O    
1612 C CB   . ASN   A 113 ? 0.552393 0.327835 0.304427 -0.031238   0.0803741   -0.0728377  125 ASN   B CB   
1613 C CG   . ASN   A 113 ? 0.601651 0.360412 0.324102 -0.0559492  0.0711663   -0.076511   125 ASN   B CG   
1614 O OD1  . ASN   A 113 ? 0.66564  0.452958 0.401559 -0.0698986  0.0598448   -0.0682647  125 ASN   B OD1  
1615 N ND2  . ASN   A 113 ? 0.734675 0.449184 0.422012 -0.0600937  0.0744844   -0.088466   125 ASN   B ND2  
1616 H H    . ASN   A 113 ? 0.478812 0.319813 0.240429 -0.0487108  0.078758    -0.0604271  125 ASN   B H    
1617 H HA   . ASN   A 113 ? 0.480643 0.312816 0.270127 -0.0415933  0.0680553   -0.0565489  125 ASN   B HA   
1618 H HB2  . ASN   A 113 ? 0.585563 0.346608 0.325656 -0.0211664  0.0908261   -0.0809625  125 ASN   B HB2  
1619 H HB3  . ASN   A 113 ? 0.553048 0.322407 0.315979 -0.0254774  0.0767302   -0.0692735  125 ASN   B HB3  
1620 H HD21 . ASN   A 113 ? 0.7247   0.429491 0.392299 -0.0749818  0.0698153   -0.0926881  125 ASN   B HD21 
1621 H HD22 . ASN   A 113 ? 0.722889 0.415906 0.405968 -0.0479585  0.0805518   -0.0926048  125 ASN   B HD22 
1622 N N    . ALA   A 114 ? 0.420854 0.300764 0.266816 -0.0114656  0.083373    -0.0494204  126 ALA   B N    
1623 C CA   . ALA   A 114 ? 0.431057 0.337082 0.315742 0.00270523  0.0850815   -0.0446121  126 ALA   B CA   
1624 C C    . ALA   A 114 ? 0.399278 0.317996 0.307902 0.00109279  0.0688646   -0.0362439  126 ALA   B C    
1625 O O    . ALA   A 114 ? 0.380265 0.30805  0.289747 -0.0121133  0.0591845   -0.0304857  126 ALA   B O    
1626 C CB   . ALA   A 114 ? 0.383207 0.317442 0.281249 -0.00026287 0.0948176   -0.0405414  126 ALA   B CB   
1627 H H    . ALA   A 114 ? 0.433778 0.32034  0.270906 -0.0216985  0.0825315   -0.0471842  126 ALA   B H    
1628 H HA   . ALA   A 114 ? 0.431428 0.327409 0.317499 0.0158967   0.0906908   -0.0500097  126 ALA   B HA   
1629 H HB1  . ALA   A 114 ? 0.419742 0.346762 0.300896 0.0017234   0.106988    -0.0467764  126 ALA   B HB1  
1630 H HB2  . ALA   A 114 ? 0.385769 0.32598  0.280119 -0.0122603  0.0883924   -0.034458   126 ALA   B HB2  
1631 H HB3  . ALA   A 114 ? 0.378883 0.332347 0.305565 0.00741112  0.0953811   -0.037631   126 ALA   B HB3  
1632 N N    . THR   A 115 ? 0.397404 0.318716 0.326288 0.016335    0.0656744   -0.0360376  127 THR   B N    
1633 C CA   . THR   A 115 ? 0.330169 0.268579 0.283731 0.0174814   0.0521251   -0.0296048  127 THR   B CA   
1634 C C    . THR   A 115 ? 0.332526 0.305178 0.322762 0.0205918   0.0526197   -0.0258793  127 THR   B C    
1635 O O    . THR   A 115 ? 0.361094 0.345834 0.366764 0.0308507   0.0624144   -0.0286038  127 THR   B O    
1636 C CB   . THR   A 115 ? 0.406639 0.326025 0.355304 0.0301429   0.0457464   -0.0304294  127 THR   B CB   
1637 O OG1  . THR   A 115 ? 0.43911  0.327468 0.354158 0.0205044   0.0450859   -0.0316302  127 THR   B OG1  
1638 C CG2  . THR   A 115 ? 0.408137 0.343455 0.376357 0.0323768   0.0315764   -0.0254734  127 THR   B CG2  
1639 H H    . THR   A 115 ? 0.404474 0.315502 0.330266 0.0270328   0.0714507   -0.0405597  127 THR   B H    
1640 H HA   . THR   A 115 ? 0.343783 0.282079 0.290968 0.0068982   0.0464779   -0.0271507  127 THR   B HA   
1641 H HB   . THR   A 115 ? 0.413538 0.329384 0.366566 0.0425413   0.050648    -0.0333567  127 THR   B HB   
1643 H HG21 . THR   A 115 ? 0.413697 0.33346  0.371508 0.038509    0.0271934   -0.0248727  127 THR   B HG21 
1644 H HG22 . THR   A 115 ? 0.388273 0.328498 0.35434  0.0219146   0.028079    -0.0238042  127 THR   B HG22 
1645 H HG23 . THR   A 115 ? 0.389784 0.345214 0.382027 0.0380141   0.0302043   -0.0248823  127 THR   B HG23 
1646 N N    . LEU   A 116 ? 0.311105 0.298651 0.315965 0.0112992   0.0422468   -0.0202797  128 LEU   B N    
1647 C CA   . LEU   A 116 ? 0.285088 0.299802 0.321725 0.00791117  0.0409616   -0.0155466  128 LEU   B CA   
1648 C C    . LEU   A 116 ? 0.289356 0.313607 0.349025 0.012936    0.0252109   -0.0153445  128 LEU   B C    
1649 O O    . LEU   A 116 ? 0.284092 0.294903 0.329937 0.0132015   0.0154229   -0.0167449  128 LEU   B O    
1650 C CB   . LEU   A 116 ? 0.289111 0.306577 0.321245 -0.00771401 0.0396489   -0.0089071  128 LEU   B CB   
1651 C CG   . LEU   A 116 ? 0.42715  0.432974 0.428578 -0.0162668  0.0500747   -0.00796762 128 LEU   B CG   
1652 C CD1  . LEU   A 116 ? 0.400466 0.410646 0.399953 -0.0300368  0.0468617   0.00183246  128 LEU   B CD1  
1653 C CD2  . LEU   A 116 ? 0.438932 0.448429 0.437305 -0.00954169 0.067725    -0.012761   128 LEU   B CD2  
1654 H H    . LEU   A 116 ? 0.304162 0.283603 0.298945 0.00650766  0.0357712   -0.0196425  128 LEU   B H    
1655 H HA   . LEU   A 116 ? 0.299709 0.324837 0.346783 0.0126894   0.0501908   -0.0167546  128 LEU   B HA   
1656 H HB2  . LEU   A 116 ? 0.301503 0.31378  0.331576 -0.0100037  0.029532    -0.00830288 128 LEU   B HB2  
1657 H HB3  . LEU   A 116 ? 0.305337 0.337716 0.357628 -0.010669   0.0401588   -0.00520345 128 LEU   B HB3  
1658 H HG   . LEU   A 116 ? 0.399185 0.390551 0.382102 -0.0167205  0.0467949   -0.0111067  128 LEU   B HG   
1659 H HD11 . LEU   A 116 ? 0.39746  0.405509 0.40206  -0.0316463  0.0352621   0.00380074  128 LEU   B HD11 
1660 H HD12 . LEU   A 116 ? 0.422227 0.423994 0.398506 -0.035181   0.0514252   0.00227439  128 LEU   B HD12 
1661 H HD13 . LEU   A 116 ? 0.408146 0.430792 0.423718 -0.0320941  0.0514768   0.00576277  128 LEU   B HD13 
1662 H HD21 . LEU   A 116 ? 0.445972 0.443443 0.435247 -0.0012412  0.0690232   -0.0189424  128 LEU   B HD21 
1663 H HD22 . LEU   A 116 ? 0.431525 0.459171 0.454813 -0.00638229 0.0705709   -0.0111917  128 LEU   B HD22 
1664 H HD23 . LEU   A 116 ? 0.454639 0.460213 0.434776 -0.0164963  0.0752147   -0.0115687  128 LEU   B HD23 
1665 N N    . PHE   A 117 ? 0.240934 0.289953 0.334473 0.0143587   0.0238076   -0.0138856  129 PHE   B N    
1666 C CA   . PHE   A 117 ? 0.235562 0.295525 0.352076 0.016318    0.00710309  -0.0147213  129 PHE   B CA   
1667 C C    . PHE   A 117 ? 0.234538 0.310332 0.375609 0.0019635   0.00456621  -0.00994806 129 PHE   B C    
1668 O O    . PHE   A 117 ? 0.258503 0.351237 0.415278 -0.00484604 0.016954    -0.00553104 129 PHE   B O    
1669 C CB   . PHE   A 117 ? 0.236368 0.313948 0.376937 0.0305879   0.00411759  -0.0176175  129 PHE   B CB   
1670 C CG   . PHE   A 117 ? 0.279082 0.373155 0.446732 0.0301159   -0.0150238  -0.0189429  129 PHE   B CG   
1671 C CD1  . PHE   A 117 ? 0.274501 0.352342 0.42413  0.0359475   -0.0311288  -0.0221685  129 PHE   B CD1  
1672 C CD2  . PHE   A 117 ? 0.291966 0.415371 0.498779 0.0203886   -0.0165791  -0.0170462  129 PHE   B CD2  
1673 C CE1  . PHE   A 117 ? 0.291048 0.380242 0.458311 0.0355771   -0.0503306  -0.0253395  129 PHE   B CE1  
1674 C CE2  . PHE   A 117 ? 0.31555  0.449434 0.543353 0.0170147   -0.0371023  -0.0199517  129 PHE   B CE2  
1675 C CZ   . PHE   A 117 ? 0.278114 0.395354 0.485611 0.026383    -0.0544588  -0.0249628  129 PHE   B CZ   
1676 H H    . PHE   A 117 ? 0.255699 0.316045 0.358231 0.0131616   0.0337455   -0.0127968  129 PHE   B H    
1677 H HA   . PHE   A 117 ? 0.235071 0.281076 0.336252 0.0171224   -0.00099811 -0.0164193  129 PHE   B HA   
1678 H HB2  . PHE   A 117 ? 0.256536 0.319256 0.379615 0.04041     0.00371036  -0.0196942  129 PHE   B HB2  
1679 H HB3  . PHE   A 117 ? 0.249659 0.342663 0.40523  0.0309426   0.0150015   -0.0168637  129 PHE   B HB3  
1680 H HD1  . PHE   A 117 ? 0.287086 0.345839 0.410683 0.040784    -0.0288629  -0.0224711  129 PHE   B HD1  
1681 H HD2  . PHE   A 117 ? 0.291096 0.42572  0.508046 0.0142926   -0.00413008 -0.013918   129 PHE   B HD2  
1682 H HE1  . PHE   A 117 ? 0.293751 0.37077  0.443903 0.0400639   -0.0604184  -0.0278578  129 PHE   B HE1  
1683 H HE2  . PHE   A 117 ? 0.296118 0.450461 0.552589 0.00888766  -0.03888    -0.0187847  129 PHE   B HE2  
1684 H HZ   . PHE   A 117 ? 0.292159 0.415405 0.510743 0.0239187   -0.0688704  -0.0280472  129 PHE   B HZ   
1685 N N    . PHE   A 118 ? 0.250857 0.318952 0.393521 -0.00330711 -0.0106296  -0.0109465  130 PHE   B N    
1686 C CA   . PHE   A 118 ? 0.27698  0.354136 0.444147 -0.0168199  -0.0162427  -0.00690089 130 PHE   B CA   
1687 C C    . PHE   A 118 ? 0.292229 0.371664 0.475898 -0.0159298  -0.0359544  -0.0134489  130 PHE   B C    
1688 O O    . PHE   A 118 ? 0.274629 0.340407 0.439804 -0.0068251  -0.046066   -0.0205348  130 PHE   B O    
1689 C CB   . PHE   A 118 ? 0.269673 0.32649  0.419316 -0.0268605  -0.0166693  -0.00147693 130 PHE   B CB   
1690 C CG   . PHE   A 118 ? 0.256733 0.307846 0.385641 -0.0320454  -0.00183052 0.00615481  130 PHE   B CG   
1691 C CD1  . PHE   A 118 ? 0.269176 0.309051 0.369455 -0.0246921  0.00336751  0.00283994  130 PHE   B CD1  
1692 C CD2  . PHE   A 118 ? 0.275261 0.33175  0.410253 -0.0457681  0.0071603   0.0166433   130 PHE   B CD2  
1693 C CE1  . PHE   A 118 ? 0.274717 0.308235 0.35279  -0.0302917  0.0141731   0.0080702   130 PHE   B CE1  
1694 C CE2  . PHE   A 118 ? 0.285388 0.334364 0.393504 -0.050583   0.0195208   0.0233004   130 PHE   B CE2  
1695 C CZ   . PHE   A 118 ? 0.292563 0.330214 0.372293 -0.0424411  0.0218373   0.0180984   130 PHE   B CZ   
1696 H H    . PHE   A 118 ? 0.250344 0.306244 0.378114 0.0011116   -0.0169364  -0.0143983  130 PHE   B H    
1697 H HA   . PHE   A 118 ? 0.273418 0.367492 0.457823 -0.020902   -0.0077898  -0.00330547 130 PHE   B HA   
1698 H HB2  . PHE   A 118 ? 0.265811 0.310085 0.402115 -0.0217164  -0.0238946  -0.00605649 130 PHE   B HB2  
1699 H HB3  . PHE   A 118 ? 0.272406 0.330209 0.437225 -0.035482   -0.0222936  0.00125786  130 PHE   B HB3  
1700 H HD1  . PHE   A 118 ? 0.260398 0.295865 0.354929 -0.0172224  -0.00133811 -0.0029011  130 PHE   B HD1  
1701 H HD2  . PHE   A 118 ? 0.276577 0.340173 0.431617 -0.0531851  0.00410456  0.0195942   130 PHE   B HD2  
1702 H HE1  . PHE   A 118 ? 0.278206 0.303565 0.337603 -0.0270627  0.0161902   0.00512283  130 PHE   B HE1  
1703 H HE2  . PHE   A 118 ? 0.300499 0.351599 0.408588 -0.0605491  0.0258678   0.0313523   130 PHE   B HE2  
1704 H HZ   . PHE   A 118 ? 0.300728 0.333065 0.360896 -0.0462558  0.0287515   0.0214567   130 PHE   B HZ   
1705 N N    . GLU   A 119 ? 0.261482 0.357494 0.477811 -0.0277958  -0.0407581  -0.0110295  131 GLU   B N    
1706 C CA   . GLU   A 119 ? 0.243381 0.333421 0.471957 -0.0339513  -0.0606919  -0.0170095  131 GLU   B CA   
1707 C C    . GLU   A 119 ? 0.265944 0.335735 0.492348 -0.0492722  -0.0609981  -0.010897   131 GLU   B C    
1708 O O    . GLU   A 119 ? 0.292536 0.371608 0.532461 -0.0626892  -0.0493207  7.017e-05   131 GLU   B O    
1709 C CB   . GLU   A 119 ? 0.245928 0.368131 0.514482 -0.0377642  -0.0692151  -0.0192159  131 GLU   B CB   
1710 C CG   . GLU   A 119 ? 0.285185 0.402056 0.567199 -0.0465512  -0.0926299  -0.0273142  131 GLU   B CG   
1711 C CD   . GLU   A 119 ? 0.247865 0.400807 0.57124  -0.0504824  -0.104828   -0.0304266  131 GLU   B CD   
1712 O OE1  . GLU   A 119 ? 0.292166 0.456763 0.614919 -0.0357519  -0.116646   -0.0368767  131 GLU   B OE1  
1713 O OE2  . GLU   A 119 ? 0.295568 0.466572 0.654847 -0.0706155  -0.103973   -0.0254457  131 GLU   B OE2  
1714 H H    . GLU   A 119 ? 0.263254 0.374557 0.494186 -0.0331034  -0.030854   -0.00595923 131 GLU   B H    
1715 H HA   . GLU   A 119 ? 0.2524   0.329277 0.462522 -0.0251468  -0.0685621  -0.0236812  131 GLU   B HA   
1716 H HB2  . GLU   A 119 ? 0.246755 0.379733 0.514632 -0.0253177  -0.069361   -0.0219981  131 GLU   B HB2  
1717 H HB3  . GLU   A 119 ? 0.250761 0.389214 0.538976 -0.0469748  -0.0590107  -0.012581   131 GLU   B HB3  
1718 H HG2  . GLU   A 119 ? 0.277678 0.381717 0.56216  -0.0592444  -0.0927745  -0.0242246  131 GLU   B HG2  
1719 H HG3  . GLU   A 119 ? 0.273234 0.372474 0.532    -0.0376892  -0.101281   -0.0344128  131 GLU   B HG3  
1720 N N    . ILE   A 120 ? 0.299725 0.341883 0.509739 -0.0470007  -0.0744847  -0.0180431  132 ILE   B N    
1721 C CA   . ILE   A 120 ? 0.297886 0.313917 0.503544 -0.0571155  -0.077773   -0.0128483  132 ILE   B CA   
1722 C C    . ILE   A 120 ? 0.360203 0.358802 0.575401 -0.0625198  -0.0978978  -0.0232301  132 ILE   B C    
1723 O O    . ILE   A 120 ? 0.29611  0.289074 0.499185 -0.0509369  -0.108342   -0.0373562  132 ILE   B O    
1724 C CB   . ILE   A 120 ? 0.30142  0.29686  0.476658 -0.045687   -0.0738648  -0.0129298  132 ILE   B CB   
1725 C CG1  . ILE   A 120 ? 0.275419 0.284446 0.437786 -0.0425804  -0.0562258  -0.00445683 132 ILE   B CG1  
1726 C CG2  . ILE   A 120 ? 0.316613 0.283269 0.489946 -0.0533396  -0.0804618  -0.00653146 132 ILE   B CG2  
1727 C CD1  . ILE   A 120 ? 0.296847 0.293993 0.432994 -0.0319269  -0.053778   -0.00641341 132 ILE   B CD1  
1728 H H    . ILE   A 120 ? 0.2888   0.327533 0.489269 -0.0380325  -0.0816536  -0.0264317  132 ILE   B H    
1729 H HA   . ILE   A 120 ? 0.313189 0.335099 0.529196 -0.068151   -0.0703123  -0.00277749 132 ILE   B HA   
1730 H HB   . ILE   A 120 ? 0.294796 0.28617  0.460167 -0.0357048  -0.0793252  -0.0228816  132 ILE   B HB   
1731 H HG12 . ILE   A 120 ? 0.28981  0.300223 0.456931 -0.0523192  -0.0500924  0.00531887  132 ILE   B HG12 
1732 H HG13 . ILE   A 120 ? 0.274103 0.299172 0.440634 -0.0384719  -0.0521945  -0.0073708  132 ILE   B HG13 
1733 H HG21 . ILE   A 120 ? 0.317081 0.276431 0.475508 -0.046896   -0.0771161  -0.00398143 132 ILE   B HG21 
1734 H HG22 . ILE   A 120 ? 0.326692 0.295423 0.510312 -0.0659721  -0.076873   0.00344671  132 ILE   B HG22 
1735 H HG23 . ILE   A 120 ? 0.331429 0.283983 0.507543 -0.0520131  -0.0920178  -0.014916   132 ILE   B HG23 
1736 H HD11 . ILE   A 120 ? 0.286747 0.281076 0.417972 -0.0237834  -0.0593506  -0.0157729  132 ILE   B HD11 
1737 H HD12 . ILE   A 120 ? 0.280943 0.286645 0.408143 -0.0304192  -0.043849   -0.00334452 132 ILE   B HD12 
1738 H HD13 . ILE   A 120 ? 0.298709 0.282728 0.431856 -0.034981   -0.0567611  -0.00149832 132 ILE   B HD13 
1739 N N    . GLU   A 121 ? 0.337188 0.323373 0.569167 -0.0810241  -0.102427   -0.0158618  133 GLU   B N    
1740 C CA   . GLU   A 121 ? 0.356359 0.313383 0.590737 -0.0866347  -0.122039   -0.0263629  133 GLU   B CA   
1741 C C    . GLU   A 121 ? 0.356541 0.27173  0.574033 -0.0862354  -0.124564   -0.0213221  133 GLU   B C    
1742 O O    . GLU   A 121 ? 0.488946 0.396407 0.709307 -0.0992141  -0.116587   -0.00319692 133 GLU   B O    
1743 C CB   . GLU   A 121 ? 0.370209 0.339738 0.639138 -0.110052   -0.130269   -0.0239021  133 GLU   B CB   
1744 C CG   . GLU   A 121 ? 0.411351 0.342419 0.680449 -0.119758   -0.151507   -0.0345993  133 GLU   B CG   
1745 C CD   . GLU   A 121 ? 0.43642  0.377226 0.741627 -0.147557   -0.163355   -0.0338629  133 GLU   B CD   
1746 O OE1  . GLU   A 121 ? 0.47069  0.458795 0.806444 -0.156549   -0.155304   -0.0269418  133 GLU   B OE1  
1747 O OE2  . GLU   A 121 ? 0.443595 0.347939 0.749714 -0.160567   -0.180986   -0.0413979  133 GLU   B OE2  
1748 H H    . GLU   A 121 ? 0.344897 0.338746 0.584944 -0.0907232  -0.0930712  -0.00450558 133 GLU   B H    
1749 H HA   . GLU   A 121 ? 0.352001 0.307746 0.576303 -0.0752647  -0.129429   -0.0392723  133 GLU   B HA   
1750 H HB2  . GLU   A 121 ? 0.358371 0.355563 0.639978 -0.107635   -0.131725   -0.0287175  133 GLU   B HB2  
1751 H HB3  . GLU   A 121 ? 0.37239  0.348462 0.651449 -0.12202    -0.119949   -0.0102737  133 GLU   B HB3  
1752 H HG2  . GLU   A 121 ? 0.427153 0.328974 0.684179 -0.120436   -0.150395   -0.0290804  133 GLU   B HG2  
1753 H HG3  . GLU   A 121 ? 0.412969 0.336774 0.667985 -0.106937   -0.16038    -0.0490245  133 GLU   B HG3  
1754 N N    . LEU   A 122 ? 0.417166 0.306666 0.615996 -0.0704592  -0.134604   -0.0363013  134 LEU   B N    
1755 C CA   . LEU   A 122 ? 0.463721 0.313153 0.650123 -0.0654963  -0.139131   -0.0328135  134 LEU   B CA   
1756 C C    . LEU   A 122 ? 0.469621 0.280266 0.666346 -0.0819781  -0.155312   -0.0338147  134 LEU   B C    
1757 O O    . LEU   A 122 ? 0.51047  0.305999 0.707206 -0.080939   -0.169557   -0.0525518  134 LEU   B O    
1758 C CB   . LEU   A 122 ? 0.46177  0.302818 0.627627 -0.0399342  -0.140319   -0.0487992  134 LEU   B CB   
1759 C CG   . LEU   A 122 ? 0.506004 0.309812 0.663458 -0.0282506  -0.146336   -0.0479099  134 LEU   B CG   
1760 C CD1  . LEU   A 122 ? 0.474055 0.279247 0.630931 -0.0340963  -0.13847    -0.0232369  134 LEU   B CD1  
1761 C CD2  . LEU   A 122 ? 0.512011 0.321752 0.65582  -0.00312347 -0.143525   -0.0655074  134 LEU   B CD2  
1762 H H    . LEU   A 122 ? 0.402997 0.299157 0.596208 -0.061834   -0.138644   -0.0486236  134 LEU   B H    
1763 H HA   . LEU   A 122 ? 0.44568  0.299262 0.630426 -0.0687686  -0.130174   -0.0180504  134 LEU   B HA   
1764 H HB2  . LEU   A 122 ? 0.438536 0.303229 0.598535 -0.0329796  -0.129717   -0.0461254  134 LEU   B HB2  
1765 H HB3  . LEU   A 122 ? 0.47289  0.311309 0.63623  -0.0365863  -0.147573   -0.0637375  134 LEU   B HB3  
1766 H HG   . LEU   A 122 ? 0.531318 0.306244 0.692297 -0.0339867  -0.157603   -0.0519843  134 LEU   B HG   
1767 H HD11 . LEU   A 122 ? 0.495758 0.291101 0.659571 -0.050592   -0.140421   -0.0123328  134 LEU   B HD11 
1768 H HD12 . LEU   A 122 ? 0.496165 0.283417 0.64749  -0.0228228  -0.142753   -0.0228533  134 LEU   B HD12 
1769 H HD13 . LEU   A 122 ? 0.453106 0.286429 0.607161 -0.0327157  -0.127608   -0.0191094  134 LEU   B HD13 
1770 H HD21 . LEU   A 122 ? 0.51016  0.322578 0.649738 -0.00087141 -0.146482   -0.0798112  134 LEU   B HD21 
1771 H HD22 . LEU   A 122 ? 0.481436 0.315634 0.621905 0.00115079  -0.133097   -0.0599167  134 LEU   B HD22 
1772 H HD23 . LEU   A 122 ? 0.52991  0.316452 0.672134 0.0063747   -0.149091   -0.0682351  134 LEU   B HD23 
1773 N N    . LEU   A 123 ? 0.519465 0.310453 0.722081 -0.0995856  -0.15388    -0.0134549  135 LEU   B N    
1774 C CA   . LEU   A 123 ? 0.579194 0.331451 0.792555 -0.121144   -0.16837    -0.0111878  135 LEU   B CA   
1775 C C    . LEU   A 123 ? 0.612108 0.306344 0.80729  -0.106963   -0.182044   -0.0170482  135 LEU   B C    
1776 O O    . LEU   A 123 ? 0.720169 0.376385 0.915324 -0.109603   -0.199089   -0.0328795  135 LEU   B O    
1777 C CB   . LEU   A 123 ? 0.570445 0.326059 0.795691 -0.148918   -0.15886    0.0155202   135 LEU   B CB   
1778 C CG   . LEU   A 123 ? 0.538021 0.353541 0.785388 -0.161973   -0.142134   0.0223979   135 LEU   B CG   
1779 C CD1  . LEU   A 123 ? 0.581891 0.403192 0.831993 -0.184443   -0.125919   0.0499529   135 LEU   B CD1  
1780 C CD2  . LEU   A 123 ? 0.600064 0.429089 0.8754   -0.177223   -0.154645   0.00838074  135 LEU   B CD2  
1781 H H    . LEU   A 123 ? 0.503951 0.304179 0.70169  -0.0992275  -0.143739   -0.0002626  135 LEU   B H    
1782 H HA   . LEU   A 123 ? 0.573145 0.332955 0.797144 -0.127007   -0.176041   -0.0238132  135 LEU   B HA   
1783 H HB2  . LEU   A 123 ? 0.581193 0.32457  0.791558 -0.143043   -0.15357    0.0279298   135 LEU   B HB2  
1784 H HB3  . LEU   A 123 ? 0.612454 0.340236 0.844758 -0.164955   -0.169001   0.0168924   135 LEU   B HB3  
1785 H HG   . LEU   A 123 ? 0.519154 0.35954  0.759588 -0.14513    -0.134638   0.0169296   135 LEU   B HG   
1786 H HD11 . LEU   A 123 ? 0.57351  0.38238  0.802359 -0.17454    -0.121039   0.0585134   135 LEU   B HD11 
1787 H HD12 . LEU   A 123 ? 0.548591 0.410026 0.813778 -0.190095   -0.113762   0.0522727   135 LEU   B HD12 
1788 H HD13 . LEU   A 123 ? 0.606848 0.403721 0.863861 -0.203183   -0.13267    0.0565224   135 LEU   B HD13 
1789 H HD21 . LEU   A 123 ? 0.574398 0.402132 0.843155 -0.162222   -0.16358    -0.00883568 135 LEU   B HD21 
1790 H HD22 . LEU   A 123 ? 0.617362 0.417292 0.897946 -0.193821   -0.163827   0.0117006   135 LEU   B HD22 
1791 H HD23 . LEU   A 123 ? 0.561386 0.429632 0.855998 -0.185861   -0.145119   0.0130588   135 LEU   B HD23 
1792 N N    . ASP   A 124 ? 0.615942 0.302353 0.795505 -0.090114   -0.175929   -0.00569069 136 ASP   B N    
1793 C CA   . ASP   A 124 ? 0.709485 0.343529 0.875918 -0.0717585  -0.189626   -0.0111766  136 ASP   B CA   
1794 C C    . ASP   A 124 ? 0.699677 0.346778 0.854356 -0.0485042  -0.182187   -0.00246877 136 ASP   B C    
1795 O O    . ASP   A 124 ? 0.677875 0.363404 0.830858 -0.0530949  -0.167904   0.0114232   136 ASP   B O    
1796 C CB   . ASP   A 124 ? 0.789997 0.368548 0.956302 -0.0926481  -0.20176    0.00506335  136 ASP   B CB   
1797 C CG   . ASP   A 124 ? 0.875466 0.387666 1.0316   -0.0762059  -0.221046   -0.00636585 136 ASP   B CG   
1798 O OD1  . ASP   A 124 ? 0.78732  0.298318 0.938633 -0.0472403  -0.224811   -0.0320168  136 ASP   B OD1  
1799 O OD2  . ASP   A 124 ? 0.969817 0.430987 1.1225   -0.0934433  -0.231306   0.00988588  136 ASP   B OD2  
1800 H H    . ASP   A 124 ? 0.597999 0.310866 0.775656 -0.0894242  -0.164335   0.00479124  136 ASP   B H    
1801 H HA   . ASP   A 124 ? 0.70995  0.336542 0.874966 -0.060475   -0.196186   -0.0318024  136 ASP   B HA   
1802 H HB2  . ASP   A 124 ? 0.796369 0.378094 0.973971 -0.113903   -0.203145   0.00470522  136 ASP   B HB2  
1803 H HB3  . ASP   A 124 ? 0.790995 0.371224 0.952242 -0.0986074  -0.195717   0.0257946   136 ASP   B HB3  
1804 N N    . PHE   A 125 ? 0.708197 0.322591 0.856103 -0.0236551  -0.19289    -0.0112379  137 PHE   B N    
1805 C CA   . PHE   A 125 ? 0.67786  0.301677 0.819662 -0.0028486  -0.190649   -0.0011593  137 PHE   B CA   
1806 C C    . PHE   A 125 ? 0.741484 0.308745 0.880421 0.0157426   -0.208803   -0.00229897 137 PHE   B C    
1807 O O    . PHE   A 125 ? 0.793885 0.321404 0.9341   0.020243    -0.219858   -0.0202381  137 PHE   B O    
1808 C CB   . PHE   A 125 ? 0.636405 0.311253 0.780249 0.0182256   -0.178521   -0.0166708  137 PHE   B CB   
1809 C CG   . PHE   A 125 ? 0.613015 0.291549 0.759092 0.0357074   -0.178748   -0.0478476  137 PHE   B CG   
1810 C CD1  . PHE   A 125 ? 0.617197 0.311106 0.762329 0.0231752   -0.174472   -0.061622   137 PHE   B CD1  
1811 C CD2  . PHE   A 125 ? 0.672577 0.343037 0.821012 0.0654558   -0.182627   -0.0636054  137 PHE   B CD2  
1812 C CE1  . PHE   A 125 ? 0.642844 0.33462  0.782406 0.0380426   -0.175941   -0.0898639  137 PHE   B CE1  
1813 C CE2  . PHE   A 125 ? 0.67407  0.345912 0.81977  0.0810257   -0.180557   -0.0933999  137 PHE   B CE2  
1814 C CZ   . PHE   A 125 ? 0.713137 0.395422 0.850896 0.0664244   -0.176845   -0.105971   137 PHE   B CZ   
1815 H H    . PHE   A 125 ? 0.735831 0.322353 0.883996 -0.0188971  -0.202395   -0.0249091  137 PHE   B H    
1816 H HA   . PHE   A 125 ? 0.679815 0.310977 0.817291 -0.0160824  -0.186032   0.0190394   137 PHE   B HA   
1817 H HB2  . PHE   A 125 ? 0.631041 0.308181 0.773875 0.031551    -0.180231   -0.0103611  137 PHE   B HB2  
1818 H HB3  . PHE   A 125 ? 0.59668  0.303129 0.739966 0.00655316  -0.167637   -0.0109458  137 PHE   B HB3  
1819 H HD1  . PHE   A 125 ? 0.606151 0.308841 0.75395  0.00423354  -0.171963   -0.0517864  137 PHE   B HD1  
1820 H HD2  . PHE   A 125 ? 0.67293  0.334915 0.824526 0.0756513   -0.187411   -0.054324   137 PHE   B HD2  
1821 H HE1  . PHE   A 125 ? 0.642343 0.343815 0.778987 0.029351    -0.175096   -0.098199   137 PHE   B HE1  
1822 H HE2  . PHE   A 125 ? 0.699079 0.36795  0.847874 0.102122    -0.181203   -0.104876   137 PHE   B HE2  
1823 H HZ   . PHE   A 125 ? 0.694997 0.377845 0.826267 0.0763833   -0.175484   -0.125796   137 PHE   B HZ   
1824 N N    . LYS   A 126 ? 0.771003 0.328695 0.903833 0.0243134   -0.213999   0.0189637   138 LYS   B N    
1825 C CA   . LYS   A 126 ? 0.8303   0.32953  0.96032  0.042659    -0.233836   0.0229882   138 LYS   B CA   
1826 C C    . LYS   A 126 ? 0.807859 0.333631 0.941799 0.0707976   -0.236052   0.0281188   138 LYS   B C    
1827 O O    . LYS   A 126 ? 0.763046 0.331791 0.892221 0.0624147   -0.226245   0.042852    138 LYS   B O    
1828 C CB   . LYS   A 126 ? 0.843457 0.287464 0.959395 0.0151709   -0.243965   0.0509831   138 LYS   B CB   
1829 H H    . LYS   A 126 ? 0.740176 0.326647 0.869523 0.0193416   -0.206156   0.0310278   138 LYS   B H    
1830 H HA   . LYS   A 126 ? 0.838614 0.319339 0.973914 0.0546673   -0.238713   0.00225417  138 LYS   B HA   
1833 N N    . GLY   A 127 ? 0.878103 0.376553 1.02133  0.10371     -0.250293   0.0165976   139 GLY   B N    
1834 C CA   . GLY   A 127 ? 0.863815 0.392814 1.01912  0.13307     -0.254757   0.0189189   139 GLY   B CA   
1835 C C    . GLY   A 127 ? 0.947615 0.455157 1.08808  0.127167    -0.269318   0.0545152   139 GLY   B C    
1836 O O    . GLY   A 127 ? 1.00331  0.449154 1.12687  0.113848    -0.2819     0.0725314   139 GLY   B O    
1837 H H    . GLY   A 127 ? 0.90402  0.364197 1.0475   0.108329    -0.257896   0.00626031  139 GLY   B H    
1838 H HA2  . GLY   A 127 ? 0.826678 0.406544 0.988098 0.132442    -0.241458   0.0119813   139 GLY   B HA2  
1839 H HA3  . GLY   A 127 ? 0.899314 0.413046 1.06623  0.157878    -0.261838   0.00340556  139 GLY   B HA3  
1840 N N    . GLU   A 128 ? 0.962234 0.51858  1.10525  0.133308    -0.267723   0.0654705   140 GLU   B N    
1841 C CA   . GLU   A 128 ? 1.02054  0.557148 1.14747  0.134171    -0.285801   0.0969898   140 GLU   B CA   
1842 C C    . GLU   A 128 ? 1.15515  0.628074 1.28885  0.162387    -0.310763   0.097882    140 GLU   B C    
1843 O O    . GLU   A 128 ? 1.28749  0.771508 1.44964  0.193398    -0.31136    0.0699504   140 GLU   B O    
1844 C CB   . GLU   A 128 ? 0.878176 0.477909 1.01227  0.143077    -0.284861   0.101466    140 GLU   B CB   
1845 O OXT  . GLU   A 128 ? 1.2244   0.634563 1.33321  0.150583    -0.326096   0.124074    140 GLU   B OXT  
1846 H H    . GLU   A 128 ? 0.90944  0.511571 1.06283  0.136172    -0.255758   0.0529767   140 GLU   B H    
1847 H HA   . GLU   A 128 ? 1.01765  0.535058 1.12225  0.108613    -0.282954   0.114914    140 GLU   B HA   
1850 N N    . GLY   B 1   ? 1.30813  0.471331 0.611756 0.00853331  -0.0974675  -0.15382    13  GLY   A N    
1851 C CA   . GLY   B 1   ? 1.24406  0.434522 0.592548 -0.0251658  -0.133257   -0.144542   13  GLY   A CA   
1852 C C    . GLY   B 1   ? 1.14719  0.407511 0.522855 -0.0271472  -0.121274   -0.1321     13  GLY   A C    
1853 O O    . GLY   B 1   ? 1.15556  0.419206 0.48721  -0.00848878 -0.0987288  -0.136326   13  GLY   A O    
1854 H H1   . GLY   B 1   ? 1.33725  0.460382 0.631569 0.00917794  -0.104703   -0.159617   13  GLY   A H1   
1855 H H2   . GLY   B 1   ? 1.24494  0.456619 0.58455  0.0175523   -0.0733088  -0.142771   13  GLY   A H2   
1856 H H3   . GLY   B 1   ? 1.34265  0.479874 0.591745 0.0206817   -0.0918077  -0.164309   13  GLY   A H3   
1857 H HA2  . GLY   B 1   ? 1.30527  0.444866 0.612885 -0.0345054  -0.161101   -0.15663    13  GLY   A HA2  
1858 H HA3  . GLY   B 1   ? 1.20905  0.419403 0.611543 -0.0378378  -0.139442   -0.133926   13  GLY   A HA3  
1859 N N    . ALA   B 2   ? 1.09208  0.406819 0.542545 -0.0500063  -0.135707   -0.115479   14  ALA   A N    
1860 C CA   . ALA   B 2   ? 1.02498  0.393926 0.499264 -0.0553725  -0.132926   -0.105207   14  ALA   A CA   
1861 C C    . ALA   B 2   ? 0.969429 0.386308 0.449092 -0.0334002  -0.0893621  -0.09948    14  ALA   A C    
1862 O O    . ALA   B 2   ? 0.973586 0.400974 0.426269 -0.0276786  -0.0806076  -0.0992654  14  ALA   A O    
1863 C CB   . ALA   B 2   ? 0.97026  0.38759  0.526946 -0.0792041  -0.150916   -0.0884539  14  ALA   A CB   
1864 H H    . ALA   B 2   ? 1.07407  0.391131 0.561429 -0.0617507  -0.146385   -0.109806   14  ALA   A H    
1865 H HA   . ALA   B 2   ? 1.07251  0.4106   0.50203  -0.057503   -0.149213   -0.113054   14  ALA   A HA   
1866 H HB1  . ALA   B 2   ? 0.999982 0.391593 0.553041 -0.0943639  -0.181019   -0.0910101  14  ALA   A HB1  
1867 H HB2  . ALA   B 2   ? 0.942498 0.37504  0.534121 -0.0792497  -0.141171   -0.0821178  14  ALA   A HB2  
1868 H HB3  . ALA   B 2   ? 0.923822 0.38289  0.503499 -0.0791747  -0.142305   -0.0805314  14  ALA   A HB3  
1869 N N    . PRO   B 3   ? 0.906572 0.355461 0.423634 -0.0219643  -0.0629992  -0.0927309  15  PRO   A N    
1870 C CA   . PRO   B 3   ? 0.85559  0.352898 0.383992 -0.00351961 -0.026461   -0.0868822  15  PRO   A CA   
1871 C C    . PRO   B 3   ? 0.899355 0.36165  0.357549 0.0190972   -0.00607718 -0.097911   15  PRO   A C    
1872 O O    . PRO   B 3   ? 0.89959  0.393431 0.354995 0.0258121   0.0138423   -0.0927763  15  PRO   A O    
1873 C CB   . PRO   B 3   ? 0.850707 0.378602 0.426609 0.00366407  -0.0108066  -0.0783045  15  PRO   A CB   
1874 C CG   . PRO   B 3   ? 0.822209 0.339596 0.433662 -0.0178541  -0.0380225  -0.0726268  15  PRO   A CG   
1875 C CD   . PRO   B 3   ? 0.923533 0.375921 0.486641 -0.0297078  -0.0689845  -0.0855904  15  PRO   A CD   
1876 H HA   . PRO   B 3   ? 0.820009 0.353755 0.37489  -0.0118697  -0.0271697  -0.0796543  15  PRO   A HA   
1877 H HB2  . PRO   B 3   ? 0.869089 0.373437 0.419595 0.0198447   0.00176143  -0.0836786  15  PRO   A HB2  
1878 H HB3  . PRO   B 3   ? 0.787217 0.363569 0.396581 0.00547731  0.00291258  -0.0701007  15  PRO   A HB3  
1879 H HG2  . PRO   B 3   ? 0.838227 0.348539 0.459213 -0.0119437  -0.0320684  -0.0700473  15  PRO   A HG2  
1880 H HG3  . PRO   B 3   ? 0.787112 0.343957 0.439407 -0.02905    -0.0415493  -0.0632515  15  PRO   A HG3  
1881 H HD2  . PRO   B 3   ? 0.958023 0.365335 0.490527 -0.0229957  -0.0711787  -0.0939459  15  PRO   A HD2  
1882 H HD3  . PRO   B 3   ? 0.896024 0.354681 0.488277 -0.0481599  -0.0897437  -0.080105   15  PRO   A HD3  
1883 N N    . ALA   B 4   ? 0.96683  0.363809 0.369363 0.0319849   -0.00813106 -0.112045   16  ALA   A N    
1884 C CA   . ALA   B 4   ? 1.04356  0.40121  0.372201 0.0572392   0.0143882   -0.123228   16  ALA   A CA   
1885 C C    . ALA   B 4   ? 1.12336  0.462953 0.401909 0.0506887   0.00371783  -0.126342   16  ALA   A C    
1886 O O    . ALA   B 4   ? 1.22737  0.570609 0.469029 0.0686188   0.0322074   -0.12505    16  ALA   A O    
1887 C CB   . ALA   B 4   ? 1.15451  0.431648 0.423645 0.0715075   0.00862351  -0.141172   16  ALA   A CB   
1888 H H    . ALA   B 4   ? 0.983748 0.358162 0.393352 0.025696    -0.0226936  -0.114628   16  ALA   A H    
1889 H HA   . ALA   B 4   ? 1.0251   0.420654 0.374568 0.0713948   0.0427545   -0.116029   16  ALA   A HA   
1890 H HB1  . ALA   B 4   ? 1.12808  0.416469 0.428332 0.0778274   0.0176537   -0.137363   16  ALA   A HB1  
1891 H HB2  . ALA   B 4   ? 1.1792   0.418863 0.431129 0.0556585   -0.0216956  -0.148391   16  ALA   A HB2  
1892 H HB3  . ALA   B 4   ? 1.19873  0.448893 0.415357 0.0906292   0.0260391   -0.148918   16  ALA   A HB3  
1893 N N    . THR   B 5   ? 1.12253  0.438651 0.396583 0.0260437   -0.0378781  -0.129355   17  THR   A N    
1894 C CA   . THR   B 5   ? 1.15147  0.445307 0.373797 0.0204285   -0.0533109  -0.131348   17  THR   A CA   
1895 C C    . THR   B 5   ? 1.07265  0.436603 0.3394   0.0183069   -0.0315547  -0.112767   17  THR   A C    
1896 O O    . THR   B 5   ? 1.11799  0.472896 0.337587 0.0259882   -0.0203145  -0.110015   17  THR   A O    
1897 C CB   . THR   B 5   ? 1.23487  0.49765  0.457265 -0.00658204 -0.106309   -0.135803   17  THR   A CB   
1898 O OG1  . THR   B 5   ? 1.33503  0.521737 0.503822 -0.00419613 -0.126495   -0.155294   17  THR   A OG1  
1899 C CG2  . THR   B 5   ? 1.26619  0.509538 0.438271 -0.0124843  -0.126965   -0.13516    17  THR   A CG2  
1900 H H    . THR   B 5   ? 1.10768  0.422391 0.412428 0.0129019   -0.0569696  -0.128865   17  THR   A H    
1901 H HA   . THR   B 5   ? 1.22941  0.480606 0.385781 0.0368289   -0.0428093  -0.141381   17  THR   A HA   
1902 H HB   . THR   B 5   ? 1.16286  0.465698 0.452053 -0.0214767  -0.115133   -0.125839   17  THR   A HB   
1904 H HG21 . THR   B 5   ? 1.3039   0.515868 0.463537 -0.0265087  -0.162683   -0.141217   17  THR   A HG21 
1905 H HG22 . THR   B 5   ? 1.32265  0.535791 0.431379 0.00461312  -0.110383   -0.141708   17  THR   A HG22 
1906 H HG23 . THR   B 5   ? 1.21267  0.504064 0.427752 -0.0188564  -0.12136    -0.12144    17  THR   A HG23 
1907 N N    . VAL   B 6   ? 1.00768  0.436525 0.360201 0.00801139  -0.0259003  -0.0999208  18  VAL   A N    
1908 C CA   . VAL   B 6   ? 0.893617 0.383448 0.290395 0.00383499  -0.00919045 -0.0844394  18  VAL   A CA   
1909 C C    . VAL   B 6   ? 0.961169 0.471682 0.346671 0.0258202   0.0347757   -0.0804942  18  VAL   A C    
1910 O O    . VAL   B 6   ? 0.970006 0.494937 0.343163 0.0275542   0.0498632   -0.0715973  18  VAL   A O    
1911 C CB   . VAL   B 6   ? 0.829419 0.377494 0.314318 -0.0122473  -0.0167551  -0.0740072  18  VAL   A CB   
1912 C CG1  . VAL   B 6   ? 0.764744 0.364434 0.28593  -0.0160627  -0.00157879 -0.061268   18  VAL   A CG1  
1913 C CG2  . VAL   B 6   ? 0.831071 0.362624 0.334529 -0.033196   -0.05746    -0.074886   18  VAL   A CG2  
1914 H H    . VAL   B 6   ? 0.969372 0.403062 0.352567 0.0034221   -0.0326406  -0.100685   18  VAL   A H    
1915 H HA   . VAL   B 6   ? 0.940412 0.41692  0.313555 -0.00257555 -0.0223717  -0.0827508  18  VAL   A HA   
1916 H HB   . VAL   B 6   ? 0.803403 0.364997 0.309368 -0.00520898 -0.00371811 -0.0745577  18  VAL   A HB   
1917 H HG11 . VAL   B 6   ? 0.797743 0.379935 0.287011 -0.0173638  -0.00640176 -0.0599493  18  VAL   A HG11 
1918 H HG12 . VAL   B 6   ? 0.753336 0.375023 0.284147 -0.00585785 0.0229739   -0.0589532  18  VAL   A HG12 
1919 H HG13 . VAL   B 6   ? 0.7246   0.351954 0.291603 -0.0272077  -0.0117423  -0.0561761  18  VAL   A HG13 
1920 H HG21 . VAL   B 6   ? 0.777816 0.348215 0.335221 -0.0415438  -0.0585282  -0.0668462  18  VAL   A HG21 
1921 H HG22 . VAL   B 6   ? 0.861109 0.362374 0.3497   -0.0323467  -0.0661713  -0.0822741  18  VAL   A HG22 
1922 H HG23 . VAL   B 6   ? 0.859497 0.371992 0.336561 -0.038671   -0.0734627  -0.0752645  18  VAL   A HG23 
1923 N N    . THR   B 7   ? 0.969292 0.481434 0.361299 0.042803    0.0555161   -0.0849135  19  THR   A N    
1924 C CA   . THR   B 7   ? 1.04559  0.575711 0.427917 0.0666022   0.0973501   -0.0807078  19  THR   A CA   
1925 C C    . THR   B 7   ? 1.15733  0.64451  0.458891 0.0791619   0.110928    -0.0833149  19  THR   A C    
1926 O O    . THR   B 7   ? 1.18021  0.699591 0.488687 0.0856539   0.139999    -0.0706877  19  THR   A O    
1927 C CB   . THR   B 7   ? 1.08958  0.605484 0.469826 0.0877519   0.112366    -0.0880306  19  THR   A CB   
1928 O OG1  . THR   B 7   ? 0.917682 0.479665 0.37226  0.0772083   0.103585    -0.0813227  19  THR   A OG1  
1929 C CG2  . THR   B 7   ? 1.10457  0.641885 0.480176 0.115645    0.1569      -0.0822856  19  THR   A CG2  
1930 H H    . THR   B 7   ? 0.975407 0.47868  0.381326 0.0398685   0.0437548   -0.0892254  19  THR   A H    
1931 H HA   . THR   B 7   ? 0.988164 0.568839 0.419203 0.0617938   0.10836     -0.0698918  19  THR   A HA   
1932 H HB   . THR   B 7   ? 1.11701  0.579236 0.451505 0.0908186   0.0986495   -0.0999946  19  THR   A HB   
1934 H HG21 . THR   B 7   ? 1.09593  0.641027 0.492186 0.126879    0.164776    -0.0830697  19  THR   A HG21 
1935 H HG22 . THR   B 7   ? 1.06345  0.64741  0.475814 0.110162    0.168369    -0.0706552  19  THR   A HG22 
1936 H HG23 . THR   B 7   ? 1.16849  0.664907 0.484454 0.128246    0.166205    -0.0886714  19  THR   A HG23 
1937 N N    . GLU   B 8   ? 1.2165   0.629608 0.439279 0.0822624   0.0900151   -0.0987428  20  GLU   A N    
1938 C CA   . GLU   B 8   ? 1.34034  0.707312 0.473728 0.100771    0.108651    -0.102183   20  GLU   A CA   
1939 C C    . GLU   B 8   ? 1.32282  0.672597 0.421265 0.0834934   0.0832655   -0.0968858  20  GLU   A C    
1940 O O    . GLU   B 8   ? 1.40973  0.733935 0.441865 0.0966707   0.101898    -0.0931956  20  GLU   A O    
1941 C CB   . GLU   B 8   ? 1.35316  0.650797 0.415652 0.125071    0.114578    -0.122593   20  GLU   A CB   
1942 H H    . GLU   B 8   ? 1.23273  0.622735 0.455199 0.0730096   0.0643645   -0.106816   20  GLU   A H    
1943 H HA   . GLU   B 8   ? 1.29434  0.696078 0.445908 0.111989    0.141574    -0.0914964  20  GLU   A HA   
1946 N N    . GLN   B 9   ? 1.18448  0.544726 0.322258 0.0562953   0.04139     -0.0952661  21  GLN   A N    
1947 C CA   . GLN   B 9   ? 1.23035  0.574303 0.339065 0.0415528   0.0135527   -0.089031   21  GLN   A CA   
1948 C C    . GLN   B 9   ? 1.09906  0.511378 0.291143 0.0233313   0.0134866   -0.0690739  21  GLN   A C    
1949 O O    . GLN   B 9   ? 1.14782  0.553571 0.319499 0.0157274   0.00082501  -0.0590189  21  GLN   A O    
1950 C CB   . GLN   B 9   ? 1.30019  0.595168 0.382669 0.0250266   -0.0408511  -0.102227   21  GLN   A CB   
1951 H H    . GLN   B 9   ? 1.16714  0.545219 0.351885 0.0476577   0.0299791   -0.0971931  21  GLN   A H    
1952 H HA   . GLN   B 9   ? 1.28195  0.599798 0.330372 0.0544061   0.0289946   -0.0878424  21  GLN   A HA   
1955 N N    . GLY   B 10  ? 0.990026 0.460855 0.269907 0.0170316   0.0240135   -0.0645181  22  GLY   A N    
1956 C CA   . GLY   B 10  ? 0.918402 0.44594  0.277853 -0.00124593 0.0164864   -0.0511425  22  GLY   A CA   
1957 C C    . GLY   B 10  ? 0.917395 0.471434 0.281918 0.00018223  0.0423462   -0.0346107  22  GLY   A C    
1958 O O    . GLY   B 10  ? 0.96992  0.527376 0.313271 0.0158406   0.0778527   -0.0313012  22  GLY   A O    
1959 H H    . GLY   B 10  ? 0.99403  0.467228 0.281261 0.0258832   0.0367069   -0.0703174  22  GLY   A H    
1960 H HA2  . GLY   B 10  ? 0.919606 0.435492 0.281538 -0.0131572  -0.0127875  -0.0518305  22  GLY   A HA2  
1961 H HA3  . GLY   B 10  ? 0.868391 0.42774  0.277392 -0.00272257 0.0230129   -0.0517043  22  GLY   A HA3  
1962 N N    . GLU   B 11  ? 0.859664 0.430197 0.253718 -0.0154372  0.0246206   -0.023553   23  GLU   A N    
1963 C CA   . GLU   B 11  ? 0.836888 0.434383 0.250555 -0.0186289  0.0456459   -0.00618765 23  GLU   A CA   
1964 C C    . GLU   B 11  ? 0.721032 0.379601 0.216609 -0.0236171  0.0661334   -0.00235908 23  GLU   A C    
1965 O O    . GLU   B 11  ? 0.647017 0.33069  0.19447  -0.0314596  0.0511565   -0.00875777 23  GLU   A O    
1966 C CB   . GLU   B 11  ? 0.866899 0.454976 0.282274 -0.0314714  0.0184497   0.00431065  23  GLU   A CB   
1967 H H    . GLU   B 11  ? 0.857875 0.421711 0.262352 -0.0244897  -0.00199777 -0.0264409  23  GLU   A H    
1968 H HA   . GLU   B 11  ? 0.879598 0.460118 0.249802 -0.00800714 0.0660323   -0.00246419 23  GLU   A HA   
1971 N N    . ASP   B 12  ? 0.735387 0.41753  0.241496 -0.0190037  0.100317    0.00884339  24  ASP   A N    
1972 C CA   . ASP   B 12  ? 0.634088 0.373086 0.217498 -0.025946   0.114601    0.012265    24  ASP   A CA   
1973 C C    . ASP   B 12  ? 0.61217  0.367837 0.236964 -0.0434351  0.103093    0.0216428   24  ASP   A C    
1974 O O    . ASP   B 12  ? 0.65873  0.402015 0.265188 -0.0468213  0.112657    0.036164    24  ASP   A O    
1975 C CB   . ASP   B 12  ? 0.69324  0.454877 0.281706 -0.0163151  0.153667    0.022403    24  ASP   A CB   
1976 C CG   . ASP   B 12  ? 0.591386 0.413167 0.260125 -0.0235051  0.165526    0.025426    24  ASP   A CG   
1977 O OD1  . ASP   B 12  ? 0.592023 0.434713 0.307382 -0.037032   0.144652    0.0200868   24  ASP   A OD1  
1978 O OD2  . ASP   B 12  ? 0.605658 0.45237  0.287844 -0.0156968  0.197598    0.0358395   24  ASP   A OD2  
1979 H H    . ASP   B 12  ? 0.76874  0.431717 0.234168 -0.0118415  0.114305    0.0148497   24  ASP   A H    
1980 H HA   . ASP   B 12  ? 0.621211 0.37252  0.227592 -0.0253463  0.106246    0.00284929  24  ASP   A HA   
1981 H HB2  . ASP   B 12  ? 0.700671 0.447383 0.257554 -0.00229751 0.163214    0.0167946   24  ASP   A HB2  
1982 H HB3  . ASP   B 12  ? 0.701941 0.452483 0.270032 -0.0178907  0.163534    0.033822    24  ASP   A HB3  
1983 N N    . ILE   B 13  ? 0.592675 0.369547 0.265809 -0.0524315  0.0825169   0.0134661   25  ILE   A N    
1984 C CA   . ILE   B 13  ? 0.579761 0.361213 0.282994 -0.0655797  0.0684434   0.0197369   25  ILE   A CA   
1985 C C    . ILE   B 13  ? 0.569852 0.39352  0.334657 -0.0741761  0.0798898   0.020037    25  ILE   A C    
1986 O O    . ILE   B 13  ? 0.584918 0.412576 0.380035 -0.0840561  0.0681837   0.02125     25  ILE   A O    
1987 C CB   . ILE   B 13  ? 0.590608 0.361995 0.302319 -0.0686367  0.0369956   0.0121066   25  ILE   A CB   
1988 C CG1  . ILE   B 13  ? 0.551122 0.347821 0.296151 -0.0667614  0.0332305   -0.00025336 25  ILE   A CG1  
1989 C CG2  . ILE   B 13  ? 0.69618  0.423387 0.349407 -0.0641558  0.01838     0.0129572   25  ILE   A CG2  
1990 C CD1  . ILE   B 13  ? 0.530588 0.33096  0.30355  -0.0713015  0.00925715  -0.00401749 25  ILE   A CD1  
1991 H H    . ILE   B 13  ? 0.565444 0.352442 0.251517 -0.0493752  0.0787739   0.00490922  25  ILE   A H    
1992 H HA   . ILE   B 13  ? 0.621757 0.38398  0.299744 -0.066501   0.0715751   0.0295711   25  ILE   A HA   
1993 H HB   . ILE   B 13  ? 0.582327 0.358671 0.317073 -0.0750076  0.0305094   0.0162647   25  ILE   A HB   
1994 H HG12 . ILE   B 13  ? 0.567199 0.353173 0.287632 -0.0600332  0.0360358   -0.00451954 25  ILE   A HG12 
1995 H HG13 . ILE   B 13  ? 0.525834 0.348503 0.299616 -0.0681987  0.0454986   -0.00111106 25  ILE   A HG13 
1996 H HG21 . ILE   B 13  ? 0.669029 0.393772 0.335806 -0.0679006  -0.00233755 0.0110713   25  ILE   A HG21 
1997 H HG22 . ILE   B 13  ? 0.695363 0.412874 0.323738 -0.0574706  0.0226682   0.00662535  25  ILE   A HG22 
1998 H HG23 . ILE   B 13  ? 0.711533 0.421398 0.337981 -0.0639252  0.0222907   0.0221165   25  ILE   A HG23 
1999 H HD11 . ILE   B 13  ? 0.521383 0.325604 0.312131 -0.0758512  0.00555857  0.00036035  25  ILE   A HD11 
2000 H HD12 . ILE   B 13  ? 0.501366 0.32171  0.298344 -0.0701404  0.0117542   -0.00983988 25  ILE   A HD12 
2001 H HD13 . ILE   B 13  ? 0.552016 0.330497 0.301728 -0.0703833  -0.0049444  -0.00422441 25  ILE   A HD13 
2002 N N    . THR   B 14  ? 0.527357 0.379531 0.309505 -0.0700952  0.101484    0.0196205   26  THR   A N    
2003 C CA   . THR   B 14  ? 0.479856 0.371104 0.318366 -0.0801368  0.109889    0.0211776   26  THR   A CA   
2004 C C    . THR   B 14  ? 0.525017 0.412885 0.370793 -0.0909336  0.123982    0.0377652   26  THR   A C    
2005 O O    . THR   B 14  ? 0.559004 0.427199 0.366203 -0.0853099  0.141198    0.0508008   26  THR   A O    
2006 C CB   . THR   B 14  ? 0.457389 0.385436 0.320047 -0.0722818  0.12474     0.0173778   26  THR   A CB   
2007 O OG1  . THR   B 14  ? 0.494232 0.418052 0.330263 -0.0618158  0.151069    0.0282829   26  THR   A OG1  
2008 C CG2  . THR   B 14  ? 0.457511 0.386492 0.315445 -0.0627616  0.110703    0.00334121  26  THR   A CG2  
2009 H H    . THR   B 14  ? 0.546676 0.393284 0.305501 -0.060555   0.110052    0.0182082   26  THR   A H    
2010 H HA   . THR   B 14  ? 0.462713 0.358828 0.322305 -0.0854862  0.0949409   0.0142115   26  THR   A HA   
2011 H HB   . THR   B 14  ? 0.442352 0.396527 0.344264 -0.0808078  0.125536    0.0179309   26  THR   A HB   
2013 H HG21 . THR   B 14  ? 0.439005 0.391649 0.314274 -0.0572592  0.118814    0.00188866  26  THR   A HG21 
2014 H HG22 . THR   B 14  ? 0.473113 0.375632 0.294565 -0.0556148  0.108341    0.00205901  26  THR   A HG22 
2015 H HG23 . THR   B 14  ? 0.429739 0.361206 0.303818 -0.0689435  0.0958653   -0.00225572 26  THR   A HG23 
2016 N N    . SER   B 15  ? 0.550483 0.454713 0.443485 -0.106262   0.117487    0.0375246   27  SER   A N    
2017 C CA   . SER   B 15  ? 0.588928 0.494766 0.501879 -0.119939   0.132379    0.0546189   27  SER   A CA   
2018 C C    . SER   B 15  ? 0.554949 0.493411 0.486971 -0.118668   0.160847    0.0664845   27  SER   A C    
2019 O O    . SER   B 15  ? 0.626407 0.557291 0.548043 -0.12148    0.183662    0.0871025   27  SER   A O    
2020 C CB   . SER   B 15  ? 0.583107 0.49625  0.543975 -0.137092   0.116501    0.0479371   27  SER   A CB   
2021 O OG   . SER   B 15  ? 0.637589 0.519143 0.579701 -0.134378   0.0950572   0.0401198   27  SER   A OG   
2022 H H    . SER   B 15  ? 0.515712 0.428039 0.427531 -0.108359   0.104028    0.0269017   27  SER   A H    
2023 H HA   . SER   B 15  ? 0.609721 0.486602 0.490752 -0.1186     0.133758    0.0640272   27  SER   A HA   
2024 H HB2  . SER   B 15  ? 0.566081 0.50538  0.553734 -0.138163   0.112268    0.0377104   27  SER   A HB2  
2025 H HB3  . SER   B 15  ? 0.609021 0.520867 0.585577 -0.147969   0.125243    0.0597242   27  SER   A HB3  
2027 N N    . LYS   B 16  ? 0.50446  0.481373 0.466765 -0.11331    0.161471    0.0561304   28  LYS   A N    
2028 C CA   . LYS   B 16  ? 0.546066 0.560559 0.535281 -0.109457   0.188756    0.0686381   28  LYS   A CA   
2029 C C    . LYS   B 16  ? 0.572903 0.572401 0.509494 -0.0869409  0.21338     0.0755091   28  LYS   A C    
2030 O O    . LYS   B 16  ? 0.563285 0.591641 0.518775 -0.0802023  0.242173    0.0890396   28  LYS   A O    
2031 C CB   . LYS   B 16  ? 0.532326 0.593849 0.569337 -0.107167   0.181306    0.0574705   28  LYS   A CB   
2032 C CG   . LYS   B 16  ? 0.583453 0.665943 0.673516 -0.127588   0.157563    0.0483676   28  LYS   A CG   
2033 C CD   . LYS   B 16  ? 0.695689 0.824423 0.820653 -0.119398   0.152828    0.0405032   28  LYS   A CD   
2034 C CE   . LYS   B 16  ? 0.677795 0.809856 0.812491 -0.123675   0.122068    0.0200836   28  LYS   A CE   
2035 N NZ   . LYS   B 16  ? 0.741545 0.891163 0.926397 -0.147685   0.108366    0.019405    28  LYS   A NZ   
2036 H H    . LYS   B 16  ? 0.49293  0.473862 0.46049  -0.111224   0.145777    0.0427504   28  LYS   A H    
2037 H HA   . LYS   B 16  ? 0.553448 0.575289 0.567396 -0.122153   0.197983    0.0815745   28  LYS   A HA   
2038 H HB2  . LYS   B 16  ? 0.535042 0.587441 0.547535 -0.0949085  0.173134    0.0462371   28  LYS   A HB2  
2039 H HB3  . LYS   B 16  ? 0.550691 0.638331 0.606826 -0.102464   0.200489    0.0675529   28  LYS   A HB3  
2040 H HG2  . LYS   B 16  ? 0.601113 0.69141  0.71911  -0.141808   0.163711    0.0591477   28  LYS   A HG2  
2041 H HG3  . LYS   B 16  ? 0.585197 0.643663 0.657307 -0.129594   0.140117    0.0374687   28  LYS   A HG3  
2042 H HD2  . LYS   B 16  ? 0.660099 0.786768 0.760489 -0.102297   0.162917    0.0405714   28  LYS   A HD2  
2043 H HD3  . LYS   B 16  ? 0.663207 0.823254 0.829463 -0.126838   0.161617    0.0505077   28  LYS   A HD3  
2044 H HE2  . LYS   B 16  ? 0.688944 0.790083 0.791823 -0.121387   0.113117    0.0122769   28  LYS   A HE2  
2045 H HE3  . LYS   B 16  ? 0.676358 0.829109 0.816655 -0.113003   0.119984    0.0157591   28  LYS   A HE3  
2046 H HZ1  . LYS   B 16  ? 0.734471 0.864927 0.916835 -0.157573   0.112431    0.0256208   28  LYS   A HZ1  
2047 H HZ2  . LYS   B 16  ? 0.717257 0.899922 0.937052 -0.150495   0.11359     0.0263068   28  LYS   A HZ2  
2048 H HZ3  . LYS   B 16  ? 0.71084  0.856392 0.894507 -0.149886   0.0898909   0.00600869  28  LYS   A HZ3  
2049 N N    . LYS   B 17  ? 0.567616 0.523149 0.44021  -0.0742978  0.202208    0.0657933   29  LYS   A N    
2050 C CA   . LYS   B 17  ? 0.606771 0.537686 0.41882  -0.0524595  0.222836    0.0689823   29  LYS   A CA   
2051 C C    . LYS   B 17  ? 0.604941 0.570512 0.439236 -0.0359022  0.238487    0.0641263   29  LYS   A C    
2052 O O    . LYS   B 17  ? 0.625032 0.595097 0.442774 -0.0199013  0.270091    0.0745437   29  LYS   A O    
2053 C CB   . LYS   B 17  ? 0.713024 0.624862 0.490296 -0.0499626  0.251922    0.0908938   29  LYS   A CB   
2054 C CG   . LYS   B 17  ? 0.777928 0.648563 0.524105 -0.0626108  0.23409     0.0967994   29  LYS   A CG   
2055 C CD   . LYS   B 17  ? 0.81001  0.629291 0.488434 -0.0539018  0.20721     0.0833892   29  LYS   A CD   
2056 C CE   . LYS   B 17  ? 0.956657 0.733791 0.577418 -0.0534951  0.215248    0.102028    29  LYS   A CE   
2057 N NZ   . LYS   B 17  ? 1.00901  0.744901 0.591463 -0.0555123  0.178727    0.0937651   29  LYS   A NZ   
2058 H H    . LYS   B 17  ? 0.55808  0.498066 0.424505 -0.0789673  0.18118     0.0567455   29  LYS   A H    
2059 H HA   . LYS   B 17  ? 0.627126 0.526298 0.399943 -0.0476604  0.206168    0.0590072   29  LYS   A HA   
2060 H HB2  . LYS   B 17  ? 0.703887 0.647878 0.523534 -0.0561716  0.269812    0.103297    29  LYS   A HB2  
2061 H HB3  . LYS   B 17  ? 0.744887 0.63791  0.476481 -0.0329902  0.265167    0.0901001   29  LYS   A HB3  
2062 H HG2  . LYS   B 17  ? 0.735955 0.621529 0.525466 -0.0777243  0.219925    0.0950521   29  LYS   A HG2  
2063 H HG3  . LYS   B 17  ? 0.806719 0.670101 0.538271 -0.0628586  0.254419    0.113737    29  LYS   A HG3  
2064 H HD2  . LYS   B 17  ? 0.836685 0.648019 0.486889 -0.0398774  0.210416    0.0744149   29  LYS   A HD2  
2065 H HD3  . LYS   B 17  ? 0.792405 0.612732 0.492254 -0.0626544  0.182949    0.0742439   29  LYS   A HD3  
2066 H HE2  . LYS   B 17  ? 0.941889 0.731577 0.59292  -0.0650237  0.22461     0.115995    29  LYS   A HE2  
2067 H HE3  . LYS   B 17  ? 0.988076 0.751683 0.566152 -0.0398301  0.234845    0.106492    29  LYS   A HE3  
2068 H HZ1  . LYS   B 17  ? 0.959726 0.707265 0.580872 -0.0666198  0.163451    0.0910525   29  LYS   A HZ1  
2069 H HZ2  . LYS   B 17  ? 0.996429 0.721437 0.555934 -0.047189   0.167984    0.0808074   29  LYS   A HZ2  
2070 H HZ3  . LYS   B 17  ? 1.03882  0.74776  0.581983 -0.0536342  0.181629    0.104929    29  LYS   A HZ3  
2071 N N    . ASP   B 18  ? 0.556732 0.539786 0.419323 -0.0366885  0.215981    0.0482596   30  ASP   A N    
2072 C CA   . ASP   B 18  ? 0.56364  0.578123 0.450003 -0.0208129  0.223913    0.0430802   30  ASP   A CA   
2073 C C    . ASP   B 18  ? 0.546685 0.525505 0.385331 -0.00491518 0.20987     0.0265741   30  ASP   A C    
2074 O O    . ASP   B 18  ? 0.551212 0.549171 0.407056 0.00837824  0.210443    0.0206661   30  ASP   A O    
2075 C CB   . ASP   B 18  ? 0.476844 0.542826 0.436592 -0.0341964  0.209129    0.0405738   30  ASP   A CB   
2076 C CG   . ASP   B 18  ? 0.445375 0.498561 0.407299 -0.0472076  0.174833    0.0253424   30  ASP   A CG   
2077 O OD1  . ASP   B 18  ? 0.420164 0.430675 0.333086 -0.0423862  0.163433    0.0170756   30  ASP   A OD1  
2078 O OD2  . ASP   B 18  ? 0.451065 0.535401 0.461413 -0.0610866  0.160676    0.0223481   30  ASP   A OD2  
2079 H H    . ASP   B 18  ? 0.543304 0.517412 0.409569 -0.0465149  0.194849    0.0410289   30  ASP   A H    
2080 H HA   . ASP   B 18  ? 0.571935 0.59773  0.458776 -0.0107653  0.248925    0.0531769   30  ASP   A HA   
2081 H HB2  . ASP   B 18  ? 0.476754 0.565038 0.452724 -0.022413   0.214561    0.0393543   30  ASP   A HB2  
2082 H HB3  . ASP   B 18  ? 0.483415 0.570757 0.475793 -0.0457257  0.217026    0.0510627   30  ASP   A HB3  
2083 N N    . ARG   B 19  ? 0.601873 0.527018 0.379475 -0.00495649 0.19805     0.0209218   31  ARG   A N    
2084 C CA   . ARG   B 19  ? 0.626348 0.510764 0.356953 0.0064957   0.182515    0.00634467  31  ARG   A CA   
2085 C C    . ARG   B 19  ? 0.574503 0.477862 0.343138 0.00053238  0.15818     -0.00412249 31  ARG   A C    
2086 O O    . ARG   B 19  ? 0.581989 0.460806 0.326947 0.0095687   0.147619    -0.0139176  31  ARG   A O    
2087 C CB   . ARG   B 19  ? 0.672779 0.535964 0.359237 0.032629    0.207943    0.00515546  31  ARG   A CB   
2088 C CG   . ARG   B 19  ? 0.695486 0.528913 0.327382 0.0403779   0.231343    0.014627    31  ARG   A CG   
2089 C CD   . ARG   B 19  ? 0.750562 0.555793 0.328263 0.0707699   0.260245    0.0115545   31  ARG   A CD   
2090 N NE   . ARG   B 19  ? 0.794504 0.55626  0.334312 0.0794145   0.237461    -0.00811442 31  ARG   A NE   
2091 C CZ   . ARG   B 19  ? 0.842976 0.543015 0.316929 0.0774097   0.213235    -0.0208194  31  ARG   A CZ   
2092 N NH1  . ARG   B 19  ? 0.900823 0.569623 0.328898 0.0687152   0.205119    -0.017092   31  ARG   A NH1  
2093 N NH2  . ARG   B 19  ? 0.897525 0.561483 0.346777 0.0847601   0.19544     -0.0370143  31  ARG   A NH2  
2094 H H    . ARG   B 19  ? 0.610448 0.523154 0.376286 -0.0132453  0.198352    0.0271456   31  ARG   A H    
2095 H HA   . ARG   B 19  ? 0.643766 0.495511 0.340268 0.00106598  0.170547    0.00471509  31  ARG   A HA   
2096 H HB2  . ARG   B 19  ? 0.649624 0.547008 0.371435 0.0399015   0.222175    0.00908792  31  ARG   A HB2  
2097 H HB3  . ARG   B 19  ? 0.677615 0.511453 0.335559 0.0385536   0.195111    -0.00554885 31  ARG   A HB3  
2098 H HG2  . ARG   B 19  ? 0.720673 0.520408 0.316977 0.0330323   0.214686    0.0114251   31  ARG   A HG2  
2099 H HG3  . ARG   B 19  ? 0.691387 0.554762 0.355325 0.0334751   0.245392    0.0272425   31  ARG   A HG3  
2100 H HD2  . ARG   B 19  ? 0.807132 0.585298 0.338371 0.0757438   0.272553    0.0163073   31  ARG   A HD2  
2101 H HD3  . ARG   B 19  ? 0.74533  0.58717  0.360411 0.0796134   0.281023    0.018318    31  ARG   A HD3  
2102 H HE   . ARG   B 19  ? 0.769023 0.548016 0.335326 0.0858695   0.238908    -0.0111501  31  ARG   A HE   
2103 H HH11 . ARG   B 19  ? 0.865077 0.553845 0.319958 0.0542991   0.198838    -0.0091329  31  ARG   A HH11 
2104 H HH12 . ARG   B 19  ? 0.950223 0.576219 0.318803 0.0778177   0.205223    -0.0225697  31  ARG   A HH12 
2105 H HH21 . ARG   B 19  ? 0.873575 0.55081  0.343259 0.0946576   0.203607    -0.039063   31  ARG   A HH21 
2106 H HH22 . ARG   B 19  ? 0.909864 0.536324 0.323839 0.0792409   0.174587    -0.0450178  31  ARG   A HH22 
2107 N N    . GLY   B 20  ? 0.467294 0.406108 0.288167 -0.01609    0.146918    -0.00234712 32  GLY   A N    
2108 C CA   . GLY   B 20  ? 0.447803 0.406372 0.300412 -0.019453   0.12813     -0.0106898  32  GLY   A CA   
2109 C C    . GLY   B 20  ? 0.441325 0.366522 0.27069  -0.024642   0.104728    -0.0185871  32  GLY   A C    
2110 O O    . GLY   B 20  ? 0.437493 0.368787 0.279647 -0.0226939  0.0929374   -0.0242158  32  GLY   A O    
2111 H H    . GLY   B 20  ? 0.484781 0.432316 0.318247 -0.0251455  0.151169    0.00417009  32  GLY   A H    
2112 H HA2  . GLY   B 20  ? 0.441291 0.410576 0.298935 -0.0080216  0.134385    -0.011817   32  GLY   A HA2  
2113 H HA3  . GLY   B 20  ? 0.417473 0.402343 0.304307 -0.0292412  0.124901    -0.00902673 32  GLY   A HA3  
2114 N N    . VAL   B 21  ? 0.485617 0.378966 0.285984 -0.0321231  0.0971909   -0.0167019  33  VAL   A N    
2115 C CA   . VAL   B 21  ? 0.486671 0.351388 0.27085  -0.0383182  0.0739213   -0.021041   33  VAL   A CA   
2116 C C    . VAL   B 21  ? 0.522343 0.341093 0.249977 -0.035671   0.0710508   -0.0192198  33  VAL   A C    
2117 O O    . VAL   B 21  ? 0.500398 0.310944 0.213842 -0.0398606  0.0767667   -0.0112763  33  VAL   A O    
2118 C CB   . VAL   B 21  ? 0.46463  0.343135 0.282147 -0.0521773  0.0598467   -0.0198103  33  VAL   A CB   
2119 C CG1  . VAL   B 21  ? 0.489889 0.346143 0.300418 -0.0560859  0.0369919   -0.0221198  33  VAL   A CG1  
2120 C CG2  . VAL   B 21  ? 0.43737  0.357489 0.302117 -0.0551657  0.0632544   -0.0227226  33  VAL   A CG2  
2121 H H    . VAL   B 21  ? 0.495692 0.386779 0.287945 -0.0333631  0.107497    -0.0107599  33  VAL   A H    
2122 H HA   . VAL   B 21  ? 0.47835  0.341232 0.264054 -0.034129   0.0681496   -0.0257447  33  VAL   A HA   
2123 H HB   . VAL   B 21  ? 0.48223  0.354401 0.293138 -0.0565913  0.0635273   -0.0144241  33  VAL   A HB   
2124 H HG11 . VAL   B 21  ? 0.479664 0.334544 0.289469 -0.0519424  0.0339496   -0.0257722  33  VAL   A HG11 
2125 H HG12 . VAL   B 21  ? 0.511223 0.341853 0.293672 -0.0568896  0.0312613   -0.0196349  33  VAL   A HG12 
2126 H HG13 . VAL   B 21  ? 0.461762 0.33045  0.297424 -0.061664   0.0309      -0.0216922  33  VAL   A HG13 
2127 H HG21 . VAL   B 21  ? 0.420891 0.343198 0.300385 -0.0619069  0.0545527   -0.0236173  33  VAL   A HG21 
2128 H HG22 . VAL   B 21  ? 0.433604 0.368838 0.307849 -0.0556039  0.0749164   -0.0197212  33  VAL   A HG22 
2129 H HG23 . VAL   B 21  ? 0.422792 0.350817 0.292461 -0.0494829  0.06202     -0.0262988  33  VAL   A HG23 
2130 N N    . LEU   B 22  ? 0.530685 0.315321 0.222792 -0.0288853  0.0603033   -0.0266257  34  LEU   A N    
2131 C CA   . LEU   B 22  ? 0.588341 0.322365 0.217438 -0.0251417  0.052445    -0.0286644  34  LEU   A CA   
2132 C C    . LEU   B 22  ? 0.609685 0.32121  0.237016 -0.0362158  0.0187332   -0.0320387  34  LEU   A C    
2133 O O    . LEU   B 22  ? 0.604177 0.32765  0.26391  -0.0398033  0.00813575  -0.0357967  34  LEU   A O    
2134 C CB   . LEU   B 22  ? 0.680684 0.388311 0.267199 -0.00729617 0.0672873   -0.0362408  34  LEU   A CB   
2135 C CG   . LEU   B 22  ? 0.689816 0.424733 0.284397 0.00730694  0.103632    -0.0309123  34  LEU   A CG   
2136 C CD1  . LEU   B 22  ? 0.749736 0.460202 0.312092 0.0278073   0.116311    -0.0395555  34  LEU   A CD1  
2137 C CD2  . LEU   B 22  ? 0.745476 0.474079 0.311189 0.00856351  0.121935    -0.0202115  34  LEU   A CD2  
2138 H H    . LEU   B 22  ? 0.519049 0.310964 0.226254 -0.0268341  0.056782    -0.0307035  34  LEU   A H    
2139 H HA   . LEU   B 22  ? 0.615597 0.346677 0.231059 -0.0263618  0.0597036   -0.022107   34  LEU   A HA   
2140 H HB2  . LEU   B 22  ? 0.658765 0.365675 0.25837  -0.00685498 0.0586245   -0.0418126  34  LEU   A HB2  
2141 H HB3  . LEU   B 22  ? 0.719512 0.388104 0.25688  -0.00454233 0.0603417   -0.0393347  34  LEU   A HB3  
2142 H HG   . LEU   B 22  ? 0.648731 0.423385 0.292523 0.002708    0.107349    -0.027419   34  LEU   A HG   
2143 H HD11 . LEU   B 22  ? 0.720779 0.43644  0.304689 0.0263247   0.1057      -0.0439947  34  LEU   A HD11 
2144 H HD12 . LEU   B 22  ? 0.742583 0.474308 0.314972 0.0383341   0.140235    -0.0346192  34  LEU   A HD12 
2145 H HD13 . LEU   B 22  ? 0.794251 0.46124  0.30403  0.0325668   0.111131    -0.0451382  34  LEU   A HD13 
2146 H HD21 . LEU   B 22  ? 0.710366 0.458133 0.304387 -0.0038921  0.116179    -0.0137443  34  LEU   A HD21 
2147 H HD22 . LEU   B 22  ? 0.78677  0.474787 0.300493 0.0119189   0.114915    -0.0233791  34  LEU   A HD22 
2148 H HD23 . LEU   B 22  ? 0.744241 0.489354 0.315112 0.0188411   0.146471    -0.0158773  34  LEU   A HD23 
2149 N N    . LYS   B 23  ? 0.640523 0.320847 0.231561 -0.0411407  0.00210536  -0.0287429  35  LYS   A N    
2150 C CA   . LYS   B 23  ? 0.651981 0.318587 0.251943 -0.0531184  -0.0327725  -0.0283137  35  LYS   A CA   
2151 C C    . LYS   B 23  ? 0.749197 0.359093 0.279859 -0.0519353  -0.0553129  -0.0329284  35  LYS   A C    
2152 O O    . LYS   B 23  ? 0.794937 0.378505 0.269895 -0.0445838  -0.0462816  -0.0301073  35  LYS   A O    
2153 C CB   . LYS   B 23  ? 0.651519 0.34171  0.286288 -0.0616775  -0.0378819  -0.0167839  35  LYS   A CB   
2154 C CG   . LYS   B 23  ? 0.65627  0.339879 0.310208 -0.0720443  -0.0730861  -0.0124183  35  LYS   A CG   
2155 C CD   . LYS   B 23  ? 0.645761 0.344661 0.327146 -0.0763488  -0.0777849  -0.00040599 35  LYS   A CD   
2156 C CE   . LYS   B 23  ? 0.656637 0.355894 0.366511 -0.0836255  -0.110888   0.00446267  35  LYS   A CE   
2157 N NZ   . LYS   B 23  ? 0.64817  0.352587 0.37438  -0.0842474  -0.117366   0.0170052   35  LYS   A NZ   
2158 H H    . LYS   B 23  ? 0.673468 0.341443 0.23344  -0.0363472  0.0130328   -0.0253281  35  LYS   A H    
2159 H HA   . LYS   B 23  ? 0.634141 0.312549 0.264077 -0.0563481  -0.0395923  -0.0316562  35  LYS   A HA   
2160 H HB2  . LYS   B 23  ? 0.602131 0.324863 0.277808 -0.0627032  -0.0255354  -0.0157079  35  LYS   A HB2  
2161 H HB3  . LYS   B 23  ? 0.6709   0.349527 0.277151 -0.0586682  -0.0289767  -0.011846   35  LYS   A HB3  
2162 H HG2  . LYS   B 23  ? 0.702109 0.352801 0.315652 -0.0720624  -0.0893383  -0.0146958  35  LYS   A HG2  
2163 H HG3  . LYS   B 23  ? 0.628725 0.328595 0.317497 -0.0754792  -0.0786547  -0.0150535  35  LYS   A HG3  
2164 H HD2  . LYS   B 23  ? 0.608185 0.33535  0.325223 -0.0763379  -0.0622957  0.00028436  35  LYS   A HD2  
2165 H HD3  . LYS   B 23  ? 0.68004  0.359729 0.325419 -0.0737659  -0.0743247  0.00430711  35  LYS   A HD3  
2166 H HE2  . LYS   B 23  ? 0.690213 0.362358 0.367902 -0.0852358  -0.129461   0.00213801  35  LYS   A HE2  
2167 H HE3  . LYS   B 23  ? 0.616999 0.339588 0.368133 -0.0859875  -0.110416   0.00241799  35  LYS   A HE3  
2168 H HZ1  . LYS   B 23  ? 0.686995 0.367933 0.373264 -0.0823042  -0.11941    0.0207001   35  LYS   A HZ1  
2169 H HZ2  . LYS   B 23  ? 0.620539 0.345268 0.372349 -0.0829664  -0.100485   0.0178555   35  LYS   A HZ2  
2170 H HZ3  . LYS   B 23  ? 0.646691 0.356469 0.397472 -0.0873885  -0.136371   0.0209043   35  LYS   A HZ3  
2171 N N    . ILE   B 24  ? 0.772588 0.363405 0.307968 -0.0603912  -0.0865639  -0.0390232  36  ILE   A N    
2172 C CA   . ILE   B 24  ? 0.82648  0.364683 0.304865 -0.0645693  -0.120874   -0.0433322  36  ILE   A CA   
2173 C C    . ILE   B 24  ? 0.816416 0.372883 0.348485 -0.0810792  -0.156272   -0.0350263  36  ILE   A C    
2174 O O    . ILE   B 24  ? 0.793594 0.381177 0.391336 -0.0898073  -0.162026   -0.0331201  36  ILE   A O    
2175 C CB   . ILE   B 24  ? 0.926757 0.415376 0.356422 -0.0608886  -0.131697   -0.0596708  36  ILE   A CB   
2176 C CG1  . ILE   B 24  ? 0.986626 0.456704 0.365654 -0.0404722  -0.0946092  -0.0679704  36  ILE   A CG1  
2177 C CG2  . ILE   B 24  ? 1.00748  0.440482 0.379925 -0.068598   -0.17564    -0.0653298  36  ILE   A CG2  
2178 C CD1  . ILE   B 24  ? 1.06872  0.478191 0.388986 -0.0337641  -0.105701   -0.085984   36  ILE   A CD1  
2179 H H    . ILE   B 24  ? 0.731222 0.341685 0.306197 -0.0642595  -0.087668   -0.0400216  36  ILE   A H    
2180 H HA   . ILE   B 24  ? 0.872434 0.394693 0.31017  -0.0590456  -0.115546   -0.0400806  36  ILE   A HA   
2181 H HB   . ILE   B 24  ? 0.891385 0.395993 0.364172 -0.0673623  -0.136801   -0.060746   36  ILE   A HB   
2182 H HG12 . ILE   B 24  ? 1.00776  0.468877 0.350189 -0.0334729  -0.0835704  -0.0641943  36  ILE   A HG12 
2183 H HG13 . ILE   B 24  ? 0.930943 0.437747 0.352365 -0.0373504  -0.0725087  -0.0645071  36  ILE   A HG13 
2184 H HG21 . ILE   B 24  ? 1.04932  0.446104 0.388906 -0.0670083  -0.18415    -0.0773869  36  ILE   A HG21 
2185 H HG22 . ILE   B 24  ? 1.04261  0.45855  0.369094 -0.0618362  -0.17171    -0.0628624  36  ILE   A HG22 
2186 H HG23 . ILE   B 24  ? 0.984238 0.434349 0.398896 -0.0815301  -0.19951    -0.0588608  36  ILE   A HG23 
2187 H HD11 . ILE   B 24  ? 1.04926  0.460518 0.40278  -0.044505   -0.124407   -0.0882882  36  ILE   A HD11 
2188 H HD12 . ILE   B 24  ? 1.06956  0.478047 0.375988 -0.019498   -0.0783636  -0.0898422  36  ILE   A HD12 
2189 H HD13 . ILE   B 24  ? 1.12739  0.495156 0.389626 -0.0325005  -0.121716   -0.0911679  36  ILE   A HD13 
2190 N N    . VAL   B 25  ? 0.83125  0.368685 0.335443 -0.0841076  -0.179776   -0.0279558  37  VAL   A N    
2191 C CA   . VAL   B 25  ? 0.830253 0.383755 0.384655 -0.0977155  -0.216396   -0.018598   37  VAL   A CA   
2192 C C    . VAL   B 25  ? 0.850785 0.36482  0.382802 -0.108432   -0.256793   -0.0284575  37  VAL   A C    
2193 O O    . VAL   B 25  ? 0.960473 0.417183 0.408701 -0.105078   -0.274657   -0.0382052  37  VAL   A O    
2194 C CB   . VAL   B 25  ? 0.868328 0.415245 0.40217  -0.0956955  -0.229448   -0.00527566 37  VAL   A CB   
2195 C CG1  . VAL   B 25  ? 0.877413 0.439686 0.463061 -0.107601   -0.271234   0.00527749  37  VAL   A CG1  
2196 C CG2  . VAL   B 25  ? 0.822874 0.403899 0.383193 -0.0882157  -0.193182   0.00519124  37  VAL   A CG2  
2197 H H    . VAL   B 25  ? 0.877354 0.392615 0.331983 -0.0768958  -0.17267    -0.0276114  37  VAL   A H    
2198 H HA   . VAL   B 25  ? 0.767222 0.359361 0.382823 -0.10098    -0.207429   -0.0138932  37  VAL   A HA   
2199 H HB   . VAL   B 25  ? 0.928856 0.435827 0.395459 -0.0910814  -0.235803   -0.00961741 37  VAL   A HB   
2200 H HG11 . VAL   B 25  ? 0.824371 0.419313 0.470663 -0.112656   -0.267587   0.00675454  37  VAL   A HG11 
2201 H HG12 . VAL   B 25  ? 0.921749 0.453051 0.475276 -0.112757   -0.300224   0.0004377   37  VAL   A HG12 
2202 H HG13 . VAL   B 25  ? 0.871014 0.441237 0.462239 -0.104591   -0.272914   0.016207    37  VAL   A HG13 
2203 H HG21 . VAL   B 25  ? 0.848155 0.417479 0.387239 -0.0862484  -0.200845   0.0140356   37  VAL   A HG21 
2204 H HG22 . VAL   B 25  ? 0.821345 0.399202 0.358951 -0.0816864  -0.166621   -0.00019923 37  VAL   A HG22 
2205 H HG23 . VAL   B 25  ? 0.770621 0.387133 0.391835 -0.091783   -0.18929    0.00888888  37  VAL   A HG23 
2206 N N    . LYS   B 26  ? 0.810004 0.350591 0.412893 -0.121573   -0.271716   -0.0259917  38  LYS   A N    
2207 C CA   . LYS   B 26  ? 0.869378 0.373616 0.461677 -0.135551   -0.310676   -0.0345165  38  LYS   A CA   
2208 C C    . LYS   B 26  ? 0.903232 0.413256 0.527396 -0.150223   -0.359107   -0.0231467  38  LYS   A C    
2209 O O    . LYS   B 26  ? 0.979934 0.445925 0.571199 -0.162131   -0.402297   -0.0311499  38  LYS   A O    
2210 C CB   . LYS   B 26  ? 0.820653 0.347688 0.472297 -0.142551   -0.297693   -0.0358046  38  LYS   A CB   
2211 C CG   . LYS   B 26  ? 0.812503 0.330129 0.43059  -0.126984   -0.255385   -0.0469029  38  LYS   A CG   
2212 C CD   . LYS   B 26  ? 0.924301 0.374466 0.439557 -0.114966   -0.253807   -0.0653308  38  LYS   A CD   
2213 C CE   . LYS   B 26  ? 0.961703 0.35671  0.445203 -0.124667   -0.285379   -0.0787539  38  LYS   A CE   
2214 N NZ   . LYS   B 26  ? 1.07478  0.393001 0.452258 -0.113004   -0.290363   -0.0995144  38  LYS   A NZ   
2215 H H    . LYS   B 26  ? 0.758195 0.339024 0.416751 -0.122169   -0.257128   -0.0185893  38  LYS   A H    
2216 H HA   . LYS   B 26  ? 0.927551 0.385244 0.449809 -0.130205   -0.314157   -0.0466467  38  LYS   A HA   
2217 H HB2  . LYS   B 26  ? 0.767548 0.340326 0.483884 -0.145703   -0.290312   -0.0238045  38  LYS   A HB2  
2218 H HB3  . LYS   B 26  ? 0.856647 0.359463 0.507584 -0.154271   -0.325409   -0.0399798  38  LYS   A HB3  
2219 H HG2  . LYS   B 26  ? 0.776498 0.325752 0.409918 -0.118274   -0.229201   -0.0412198  38  LYS   A HG2  
2220 H HG3  . LYS   B 26  ? 0.798073 0.325509 0.451068 -0.132069   -0.251813   -0.0465473  38  LYS   A HG3  
2221 H HD2  . LYS   B 26  ? 0.938772 0.375303 0.415437 -0.110883   -0.260143   -0.064536   38  LYS   A HD2  
2222 H HD3  . LYS   B 26  ? 0.892787 0.349723 0.398174 -0.102504   -0.221842   -0.0685464  38  LYS   A HD3  
2223 H HE2  . LYS   B 26  ? 0.943917 0.351802 0.465011 -0.127803   -0.275912   -0.0780151  38  LYS   A HE2  
2224 H HE3  . LYS   B 26  ? 0.982403 0.378113 0.487735 -0.139049   -0.318289   -0.0738484  38  LYS   A HE3  
2225 H HZ1  . LYS   B 26  ? 1.06752  0.378469 0.434417 -0.103055   -0.266799   -0.105627   38  LYS   A HZ1  
2226 H HZ2  . LYS   B 26  ? 1.09035  0.400575 0.426551 -0.103986   -0.284509   -0.0993915  38  LYS   A HZ2  
2227 H HZ3  . LYS   B 26  ? 1.1159   0.400451 0.478423 -0.124052   -0.322681   -0.106117   38  LYS   A HZ3  
2228 N N    . ARG   B 27  ? 0.839347 0.405466 0.537077 -0.150401   -0.353961   -0.00473299 39  ARG   A N    
2229 C CA   . ARG   B 27  ? 0.910694 0.489625 0.645263 -0.160117   -0.397015   0.00957036  39  ARG   A CA   
2230 C C    . ARG   B 27  ? 0.875047 0.483027 0.62316  -0.146667   -0.379577   0.0240228   39  ARG   A C    
2231 O O    . ARG   B 27  ? 0.820778 0.4721   0.618959 -0.138954   -0.341714   0.0297701   39  ARG   A O    
2232 C CB   . ARG   B 27  ? 0.850273 0.476263 0.690512 -0.176042   -0.413226   0.0220284   39  ARG   A CB   
2233 C CG   . ARG   B 27  ? 0.896823 0.530224 0.771046 -0.187343   -0.466023   0.0359436   39  ARG   A CG   
2234 C CD   . ARG   B 27  ? 0.857574 0.551074 0.852086 -0.200559   -0.479174   0.055232    39  ARG   A CD   
2235 N NE   . ARG   B 27  ? 0.819592 0.574053 0.888435 -0.189551   -0.431508   0.0670017   39  ARG   A NE   
2236 C CZ   . ARG   B 27  ? 0.751802 0.550678 0.905664 -0.197345   -0.417543   0.0774482   39  ARG   A CZ   
2237 N NH1  . ARG   B 27  ? 0.702814 0.551541 0.909501 -0.183064   -0.374687   0.0872255   39  ARG   A NH1  
2238 N NH2  . ARG   B 27  ? 0.735352 0.524341 0.916834 -0.21949    -0.447567   0.0782015   39  ARG   A NH2  
2239 H H    . ARG   B 27  ? 0.801557 0.398291 0.527895 -0.143587   -0.323527   -0.00107148 39  ARG   A H    
2240 H HA   . ARG   B 27  ? 0.958362 0.495842 0.640112 -0.164137   -0.427081   0.00318512  39  ARG   A HA   
2241 H HB2  . ARG   B 27  ? 0.869103 0.479584 0.70762  -0.184683   -0.417213   0.013994    39  ARG   A HB2  
2242 H HB3  . ARG   B 27  ? 0.800161 0.4675   0.689895 -0.169973   -0.385185   0.0300901   39  ARG   A HB3  
2243 H HG2  . ARG   B 27  ? 0.896937 0.534131 0.756468 -0.177194   -0.464301   0.0424686   39  ARG   A HG2  
2244 H HG3  . ARG   B 27  ? 0.95548  0.546588 0.782301 -0.195545   -0.497165   0.0266429   39  ARG   A HG3  
2245 H HD2  . ARG   B 27  ? 0.885083 0.586599 0.899008 -0.203612   -0.509916   0.0656064   39  ARG   A HD2  
2246 H HD3  . ARG   B 27  ? 0.882796 0.564008 0.887001 -0.214637   -0.493909   0.0504006   39  ARG   A HD3  
2247 H HE   . ARG   B 27  ? 0.785169 0.545488 0.838536 -0.1764     -0.410044   0.067306    39  ARG   A HE   
2248 H HH11 . ARG   B 27  ? 0.683685 0.530222 0.862122 -0.169882   -0.35253    0.0826819   39  ARG   A HH11 
2249 H HH12 . ARG   B 27  ? 0.672226 0.554854 0.941106 -0.186876   -0.368595   0.0982092   39  ARG   A HH12 
2250 H HH21 . ARG   B 27  ? 0.77573  0.563917 0.977387 -0.23036    -0.483107   0.0843403   39  ARG   A HH21 
2251 H HH22 . ARG   B 27  ? 0.740792 0.523381 0.921254 -0.22364    -0.432877   0.0730248   39  ARG   A HH22 
2252 N N    . VAL   B 28  ? 0.934578 0.514309 0.634912 -0.143898   -0.409335   0.0297927   40  VAL   A N    
2253 C CA   . VAL   B 28  ? 0.955237 0.551263 0.658908 -0.130973   -0.3958     0.0447385   40  VAL   A CA   
2254 C C    . VAL   B 28  ? 0.937886 0.594209 0.75089  -0.133071   -0.401764   0.0629303   40  VAL   A C    
2255 O O    . VAL   B 28  ? 0.966858 0.644076 0.839221 -0.145784   -0.43286    0.0684717   40  VAL   A O    
2256 C CB   . VAL   B 28  ? 1.02496  0.571429 0.643461 -0.125965   -0.42593    0.0488639   40  VAL   A CB   
2257 C CG1  . VAL   B 28  ? 1.06593  0.628483 0.698078 -0.114113   -0.418379   0.0689917   40  VAL   A CG1  
2258 C CG2  . VAL   B 28  ? 1.06173  0.55021  0.56762  -0.118122   -0.407993   0.0326247   40  VAL   A CG2  
2259 H H    . VAL   B 28  ? 0.995815 0.542549 0.658398 -0.150202   -0.439938   0.024441    40  VAL   A H    
2260 H HA   . VAL   B 28  ? 0.925963 0.526426 0.617052 -0.12278    -0.359327   0.0409017   40  VAL   A HA   
2261 H HB   . VAL   B 28  ? 1.06507  0.602516 0.688971 -0.135224   -0.465894   0.0500734   40  VAL   A HB   
2262 H HG11 . VAL   B 28  ? 1.00877  0.587687 0.654017 -0.107589   -0.381182   0.0688505   40  VAL   A HG11 
2263 H HG12 . VAL   B 28  ? 1.03064  0.621727 0.723446 -0.117171   -0.438159   0.0802761   40  VAL   A HG12 
2264 H HG13 . VAL   B 28  ? 1.10725  0.633818 0.674118 -0.109577   -0.431082   0.0713095   40  VAL   A HG13 
2265 H HG21 . VAL   B 28  ? 1.12976  0.585387 0.579405 -0.114962   -0.429277   0.0359055   40  VAL   A HG21 
2266 H HG22 . VAL   B 28  ? 1.08112  0.554173 0.574341 -0.124091   -0.412875   0.0190853   40  VAL   A HG22 
2267 H HG23 . VAL   B 28  ? 1.03881  0.537803 0.541546 -0.109632   -0.370058   0.033112    40  VAL   A HG23 
2268 N N    . GLY   B 29  ? 0.83402  0.519959 0.678777 -0.120409   -0.367741   0.071696    41  GLY   A N    
2269 C CA   . GLY   B 29  ? 0.826382 0.564769 0.767449 -0.117098   -0.368726   0.0883306   41  GLY   A CA   
2270 C C    . GLY   B 29  ? 0.903603 0.639371 0.850145 -0.109028   -0.395919   0.107145    41  GLY   A C    
2271 O O    . GLY   B 29  ? 0.967593 0.660471 0.844081 -0.109578   -0.424223   0.108629    41  GLY   A O    
2272 H H    . GLY   B 29  ? 0.855457 0.527901 0.661882 -0.113328   -0.343173   0.0672389   41  GLY   A H    
2273 H HA2  . GLY   B 29  ? 0.814862 0.572778 0.801283 -0.126142   -0.383713   0.0900941   41  GLY   A HA2  
2274 H HA3  . GLY   B 29  ? 0.782782 0.54095  0.74508  -0.110199   -0.334957   0.086377    41  GLY   A HA3  
2275 N N    . ASN   B 30  ? 0.862502 0.64232  0.889361 -0.0991908  -0.384808   0.121588    42  ASN   A N    
2276 C CA   . ASN   B 30  ? 0.914006 0.702517 0.971692 -0.0897145  -0.411657   0.142705    42  ASN   A CA   
2277 C C    . ASN   B 30  ? 0.865697 0.649029 0.91548  -0.0720328  -0.37784    0.14785     42  ASN   A C    
2278 O O    . ASN   B 30  ? 0.859991 0.659891 0.929719 -0.0669495  -0.334869   0.138336    42  ASN   A O    
2279 C CB   . ASN   B 30  ? 0.944357 0.790164 1.11257  -0.0902834  -0.426095   0.157371    42  ASN   A CB   
2280 C CG   . ASN   B 30  ? 0.993778 0.846487 1.18013  -0.111439   -0.456558   0.152693    42  ASN   A CG   
2281 O OD1  . ASN   B 30  ? 0.97267  0.85663  1.20922  -0.118257   -0.434989   0.147775    42  ASN   A OD1  
2282 N ND2  . ASN   B 30  ? 1.04377  0.859346 1.17748  -0.122148   -0.505283   0.152553    42  ASN   A ND2  
2283 H H    . ASN   B 30  ? 0.823918 0.628774 0.887136 -0.0969049  -0.358155   0.11798     42  ASN   A H    
2284 H HA   . ASN   B 30  ? 0.962919 0.723118 0.976768 -0.0938435  -0.443125   0.145449    42  ASN   A HA   
2285 H HB2  . ASN   B 30  ? 0.892737 0.76485  1.10065  -0.0832675  -0.393642   0.155873    42  ASN   A HB2  
2286 H HB3  . ASN   B 30  ? 0.95668  0.808367 1.14628  -0.083349   -0.447676   0.172397    42  ASN   A HB3  
2287 H HD21 . ASN   B 30  ? 1.06809  0.862741 1.16923  -0.133955   -0.515779   0.141312    42  ASN   A HD21 
2288 H HD22 . ASN   B 30  ? 1.0775   0.887068 1.20617  -0.116902   -0.528034   0.163457    42  ASN   A HD22 
2289 N N    . GLY   B 31  ? 0.91563  0.672474 0.933593 -0.0637946  -0.401091   0.16316     43  GLY   A N    
2290 C CA   . GLY   B 31  ? 0.966945 0.711536 0.97849  -0.0478029  -0.376786   0.172419    43  GLY   A CA   
2291 C C    . GLY   B 31  ? 0.9966   0.699368 0.924102 -0.0498024  -0.344713   0.160993    43  GLY   A C    
2292 O O    . GLY   B 31  ? 1.01698  0.696515 0.882346 -0.0604213  -0.344778   0.147836    43  GLY   A O    
2293 H H    . GLY   B 31  ? 0.966258 0.709829 0.964337 -0.0686403  -0.434936   0.168436    43  GLY   A H    
2294 H HA2  . GLY   B 31  ? 0.993103 0.728194 1.0026   -0.0417229  -0.402201   0.187854    43  GLY   A HA2  
2295 H HA3  . GLY   B 31  ? 0.916102 0.689476 0.983865 -0.0408766  -0.356078   0.172355    43  GLY   A HA3  
2296 N N    . GLU   B 32  ? 0.930267 0.622853 0.859169 -0.0390953  -0.317164   0.167049    44  GLU   A N    
2297 C CA   . GLU   B 32  ? 0.921994 0.5845   0.79048  -0.0424921  -0.282348   0.158431    44  GLU   A CA   
2298 C C    . GLU   B 32  ? 0.811075 0.501263 0.722185 -0.0434405  -0.241125   0.141107    44  GLU   A C    
2299 O O    . GLU   B 32  ? 0.79102  0.471785 0.664961 -0.0509356  -0.215613   0.128237    44  GLU   A O    
2300 C CB   . GLU   B 32  ? 0.988944 0.610762 0.81384  -0.0344941  -0.286672   0.17892     44  GLU   A CB   
2301 H H    . GLU   B 32  ? 0.934207 0.638646 0.904825 -0.02962    -0.32033    0.177303    44  GLU   A H    
2302 H HA   . GLU   B 32  ? 0.935831 0.584327 0.757857 -0.0502515  -0.286421   0.150954    44  GLU   A HA   
2305 N N    . GLU   B 33  ? 0.715789 0.440937 0.702576 -0.0349514  -0.235121   0.140562    45  GLU   A N    
2306 C CA   . GLU   B 33  ? 0.681181 0.422432 0.699543 -0.0315918  -0.198024   0.126546    45  GLU   A CA   
2307 C C    . GLU   B 33  ? 0.667905 0.431213 0.683837 -0.0420231  -0.181329   0.10679     45  GLU   A C    
2308 O O    . GLU   B 33  ? 0.658239 0.442056 0.688955 -0.0475666  -0.196952   0.104593    45  GLU   A O    
2309 C CB   . GLU   B 33  ? 0.659812 0.427917 0.751891 -0.0154811  -0.193456   0.130947    45  GLU   A CB   
2310 H H    . GLU   B 33  ? 0.734677 0.474107 0.753993 -0.030441   -0.255568   0.14944     45  GLU   A H    
2311 H HA   . GLU   B 33  ? 0.699103 0.41668  0.68951  -0.0322789  -0.184268   0.126729    45  GLU   A HA   
2314 N N    . THR   B 34  ? 0.594234 0.351486 0.592781 -0.0453002  -0.150319   0.0934252   46  THR   A N    
2315 C CA   . THR   B 34  ? 0.57397  0.352153 0.573197 -0.0520403  -0.13031    0.0752536   46  THR   A CA   
2316 C C    . THR   B 34  ? 0.542869 0.335251 0.577797 -0.0446485  -0.105183   0.0649764   46  THR   A C    
2317 O O    . THR   B 34  ? 0.543472 0.31748  0.585236 -0.0378582  -0.100449   0.0695874   46  THR   A O    
2318 C CB   . THR   B 34  ? 0.600243 0.357846 0.540651 -0.0625006  -0.119293   0.0689298   46  THR   A CB   
2319 O OG1  . THR   B 34  ? 0.576725 0.31416  0.505579 -0.0624084  -0.102678   0.0718349   46  THR   A OG1  
2320 C CG2  . THR   B 34  ? 0.64413  0.376335 0.535568 -0.0664102  -0.143397   0.0784353   46  THR   A CG2  
2321 H H    . THR   B 34  ? 0.62664  0.365448 0.613533 -0.0434471  -0.1425     0.0967864   46  THR   A H    
2322 H HA   . THR   B 34  ? 0.559772 0.355722 0.576132 -0.0532755  -0.140334   0.0745631   46  THR   A HA   
2323 H HB   . THR   B 34  ? 0.565184 0.337831 0.507884 -0.065836   -0.107437   0.0576654   46  THR   A HB   
2325 H HG21 . THR   B 34  ? 0.65166  0.374295 0.507342 -0.0711576  -0.133638   0.072752    46  THR   A HG21 
2326 H HG22 . THR   B 34  ? 0.673495 0.386791 0.552676 -0.0633486  -0.151525   0.090028    46  THR   A HG22 
2327 H HG23 . THR   B 34  ? 0.640584 0.383537 0.547394 -0.0667776  -0.160855   0.0790043   46  THR   A HG23 
2328 N N    . PRO   B 35  ? 0.506554 0.327974 0.56339  -0.0443285  -0.0902578  0.0514718   47  PRO   A N    
2329 C CA   . PRO   B 35  ? 0.472807 0.306132 0.560378 -0.0339166  -0.069916   0.0414381   47  PRO   A CA   
2330 C C    . PRO   B 35  ? 0.456981 0.268639 0.520597 -0.0381724  -0.0529932  0.0298954   47  PRO   A C    
2331 O O    . PRO   B 35  ? 0.516069 0.320065 0.545935 -0.0509202  -0.0484893  0.0257307   47  PRO   A O    
2332 C CB   . PRO   B 35  ? 0.430959 0.298397 0.537567 -0.0333994  -0.0598359  0.0327023   47  PRO   A CB   
2333 C CG   . PRO   B 35  ? 0.47138  0.337579 0.547771 -0.047163   -0.0705593  0.0334897   47  PRO   A CG   
2334 C CD   . PRO   B 35  ? 0.476377 0.318155 0.532345 -0.051201   -0.0949525  0.0474478   47  PRO   A CD   
2335 H HA   . PRO   B 35  ? 0.478535 0.312625 0.592178 -0.0239105  -0.0748775  0.0489536   47  PRO   A HA   
2336 H HB2  . PRO   B 35  ? 0.433012 0.303312 0.535621 -0.0317037  -0.0438753  0.0211323   47  PRO   A HB2  
2337 H HB3  . PRO   B 35  ? 0.436883 0.321381 0.577005 -0.0256481  -0.0630132  0.0391748   47  PRO   A HB3  
2338 H HG2  . PRO   B 35  ? 0.450692 0.310941 0.501929 -0.0524324  -0.0602005  0.0247493   47  PRO   A HG2  
2339 H HG3  . PRO   B 35  ? 0.439983 0.325152 0.534082 -0.047425   -0.0725852  0.0344255   47  PRO   A HG3  
2340 H HD2  . PRO   B 35  ? 0.495325 0.323563 0.515633 -0.0589717  -0.0972445  0.0453884   47  PRO   A HD2  
2341 H HD3  . PRO   B 35  ? 0.487242 0.338818 0.565266 -0.0496321  -0.110494   0.0559497   47  PRO   A HD3  
2342 N N    . MET   B 36  ? 0.475166 0.27988  0.560145 -0.0268029  -0.0427637  0.0237749   48  MET   A N    
2343 C CA   . MET   B 36  ? 0.486294 0.268265 0.557045 -0.030862   -0.0295602  0.0105366   48  MET   A CA   
2344 C C    . MET   B 36  ? 0.464423 0.266611 0.536955 -0.0292468  -0.0139963  -0.00994886 48  MET   A C    
2345 O O    . MET   B 36  ? 0.433797 0.2625   0.525247 -0.0180707  -0.00841024 -0.0128497  48  MET   A O    
2346 C CB   . MET   B 36  ? 0.542216 0.295572 0.629988 -0.0174995  -0.0296052  0.0135569   48  MET   A CB   
2347 C CG   . MET   B 36  ? 0.600826 0.328778 0.684821 -0.0170306  -0.0457263  0.035745    48  MET   A CG   
2348 S SD   . MET   B 36  ? 0.608624 0.306099 0.648336 -0.0395324  -0.0468339  0.0439915   48  MET   A SD   
2349 C CE   . MET   B 36  ? 0.712419 0.384659 0.75066  -0.0298232  -0.0678973  0.0722552   48  MET   A CE   
2350 H H    . MET   B 36  ? 0.472013 0.285796 0.582996 -0.0156226  -0.0446205  0.0279562   48  MET   A H    
2351 H HA   . MET   B 36  ? 0.497996 0.268343 0.546346 -0.0428772  -0.0310629  0.0133383   48  MET   A HA   
2352 H HB2  . MET   B 36  ? 0.53717  0.304054 0.647872 -0.00369113 -0.0260584  0.0115498   48  MET   A HB2  
2353 H HB3  . MET   B 36  ? 0.554731 0.290978 0.633511 -0.0214011  -0.021855   0.00258905  48  MET   A HB3  
2354 H HG2  . MET   B 36  ? 0.582005 0.326262 0.673904 -0.0141394  -0.0566753  0.0459933   48  MET   A HG2  
2355 H HG3  . MET   B 36  ? 0.611817 0.322642 0.710276 -0.00599638 -0.0448661  0.0374213   48  MET   A HG3  
2356 H HE1  . MET   B 36  ? 0.718643 0.368634 0.732261 -0.038576   -0.0682105  0.0813411   48  MET   A HE1  
2357 H HE2  . MET   B 36  ? 0.684541 0.374793 0.724338 -0.02729    -0.0793755  0.0783746   48  MET   A HE2  
2358 H HE3  . MET   B 36  ? 0.708065 0.369999 0.768226 -0.0177911  -0.0680825  0.0731585   48  MET   A HE3  
2359 N N    . ILE   B 37  ? 0.462301 0.251106 0.516716 -0.0399447  -0.00692474 -0.0234146  49  ILE   A N    
2360 C CA   . ILE   B 37  ? 0.439216 0.239566 0.490623 -0.0369891  0.00403943  -0.044165   49  ILE   A CA   
2361 C C    . ILE   B 37  ? 0.423256 0.215999 0.489486 -0.0157331  0.0117246   -0.0525714  49  ILE   A C    
2362 O O    . ILE   B 37  ? 0.472038 0.234959 0.5454   -0.00789494 0.0105059   -0.0515639  49  ILE   A O    
2363 C CB   . ILE   B 37  ? 0.482574 0.268144 0.517952 -0.0537479  0.0048363   -0.0559858  49  ILE   A CB   
2364 C CG1  . ILE   B 37  ? 0.500833 0.303312 0.525013 -0.0699835  0.00337848  -0.0475206  49  ILE   A CG1  
2365 C CG2  . ILE   B 37  ? 0.498263 0.289039 0.526373 -0.0495979  0.0106514   -0.0790505  49  ILE   A CG2  
2366 C CD1  . ILE   B 37  ? 0.572158 0.369904 0.591897 -0.0873454  0.00485534  -0.0554178  49  ILE   A CD1  
2367 H H    . ILE   B 37  ? 0.475224 0.247385 0.519115 -0.0494692  -0.00974448 -0.0188376  49  ILE   A H    
2368 H HA   . ILE   B 37  ? 0.4173   0.242014 0.467364 -0.0374098  0.00591347  -0.0440499  49  ILE   A HA   
2369 H HB   . ILE   B 37  ? 0.509858 0.268936 0.546822 -0.056337   0.00209679  -0.0534188  49  ILE   A HB   
2370 H HG12 . ILE   B 37  ? 0.481028 0.306842 0.503531 -0.0666835  0.00544365  -0.0490539  49  ILE   A HG12 
2371 H HG13 . ILE   B 37  ? 0.508185 0.30231  0.530046 -0.0719953  -0.0006221  -0.0336815  49  ILE   A HG13 
2372 H HG21 . ILE   B 37  ? 0.505244 0.288584 0.527365 -0.0620338  0.00789584  -0.0857952  49  ILE   A HG21 
2373 H HG22 . ILE   B 37  ? 0.473297 0.289282 0.499148 -0.0459429  0.0140734   -0.0801329  49  ILE   A HG22 
2374 H HG23 . ILE   B 37  ? 0.514939 0.290177 0.545715 -0.0376468  0.0134122   -0.0856521  49  ILE   A HG23 
2375 H HD11 . ILE   B 37  ? 0.575638 0.349133 0.599357 -0.0897629  0.00297848  -0.0591321  49  ILE   A HD11 
2376 H HD12 . ILE   B 37  ? 0.548075 0.349523 0.563137 -0.0962428  0.00570577  -0.0447562  49  ILE   A HD12 
2377 H HD13 . ILE   B 37  ? 0.539579 0.354447 0.557799 -0.087193   0.00659488  -0.0667377  49  ILE   A HD13 
2378 N N    . GLY   B 38  ? 0.407492 0.227828 0.476363 -0.00485303 0.0220711   -0.0601133  50  GLY   A N    
2379 C CA   . GLY   B 38  ? 0.446677 0.267622 0.527046 0.0187168   0.0354284   -0.0666742  50  GLY   A CA   
2380 C C    . GLY   B 38  ? 0.442853 0.292294 0.560315 0.0323717   0.0379844   -0.0468006  50  GLY   A C    
2381 O O    . GLY   B 38  ? 0.46547  0.324527 0.598789 0.054252    0.0540172   -0.0486163  50  GLY   A O    
2382 H H    . GLY   B 38  ? 0.391825 0.231135 0.453804 -0.0118119  0.0221732   -0.0602195  50  GLY   A H    
2383 H HA2  . GLY   B 38  ? 0.443592 0.273057 0.509373 0.021379    0.043275    -0.0785374  50  GLY   A HA2  
2384 H HA3  . GLY   B 38  ? 0.473068 0.26586  0.551306 0.0242315   0.0356921   -0.0726832  50  GLY   A HA3  
2385 N N    . ASP   B 39  ? 0.40048  0.259051 0.533318 0.021578    0.0219281   -0.0274086  51  ASP   A N    
2386 C CA   . ASP   B 39  ? 0.418848 0.305112 0.593941 0.0321947   0.0188826   -0.00783418 51  ASP   A CA   
2387 C C    . ASP   B 39  ? 0.386071 0.310416 0.571528 0.0335069   0.0303908   -0.00670876 51  ASP   A C    
2388 O O    . ASP   B 39  ? 0.363834 0.29267  0.520203 0.0214445   0.0327852   -0.0162537  51  ASP   A O    
2389 C CB   . ASP   B 39  ? 0.388994 0.274694 0.570113 0.0183916   -0.00546077 0.0105092   51  ASP   A CB   
2390 C CG   . ASP   B 39  ? 0.445745 0.299243 0.627955 0.0214911   -0.0185154  0.0195819   51  ASP   A CG   
2391 O OD1  . ASP   B 39  ? 0.45814  0.28997  0.645478 0.0359358   -0.00876631 0.0132059   51  ASP   A OD1  
2392 O OD2  . ASP   B 39  ? 0.47906  0.325281 0.651572 0.00933657  -0.0395841  0.0335593   51  ASP   A OD2  
2393 H H    . ASP   B 39  ? 0.410179 0.258137 0.527739 0.00788461  0.0125413   -0.0259843  51  ASP   A H    
2394 H HA   . ASP   B 39  ? 0.425271 0.305994 0.618583 0.0480056   0.0252297   -0.00649123 51  ASP   A HA   
2395 H HB2  . ASP   B 39  ? 0.39027  0.27288  0.54606  0.00405124  -0.00993991 0.00676051  51  ASP   A HB2  
2396 H HB3  . ASP   B 39  ? 0.38809  0.297497 0.596736 0.0212947   -0.00968767 0.0218817   51  ASP   A HB3  
2397 N N    . LYS   B 40  ? 0.400757 0.35301  0.631456 0.0496374   0.0390697   0.00682741  52  LYS   A N    
2398 C CA   . LYS   B 40  ? 0.378027 0.368029 0.628108 0.0501665   0.0505605   0.0144343   52  LYS   A CA   
2399 C C    . LYS   B 40  ? 0.333553 0.338675 0.60332  0.0309174   0.0261925   0.0314702   52  LYS   A C    
2400 O O    . LYS   B 40  ? 0.380392 0.388445 0.682739 0.0303125   0.00722829  0.0469033   52  LYS   A O    
2401 C CB   . LYS   B 40  ? 0.430977 0.445812 0.726216 0.0758829   0.0731242   0.0241595   52  LYS   A CB   
2402 C CG   . LYS   B 40  ? 0.478364 0.529988 0.790656 0.0802634   0.0942221   0.0322725   52  LYS   A CG   
2403 C CD   . LYS   B 40  ? 0.600259 0.676468 0.955567 0.109055    0.122981    0.042756    52  LYS   A CD   
2404 C CE   . LYS   B 40  ? 0.603381 0.71981  0.983495 0.111507    0.144824    0.0577784   52  LYS   A CE   
2405 N NZ   . LYS   B 40  ? 0.690272 0.837319 1.11839  0.139497    0.176641    0.0727333   52  LYS   A NZ   
2406 H H    . LYS   B 40  ? 0.410039 0.358241 0.662358 0.0606374   0.0384244   0.0128836   52  LYS   A H    
2407 H HA   . LYS   B 40  ? 0.377945 0.364709 0.597603 0.0466483   0.0589786   0.0025825   52  LYS   A HA   
2408 H HB2  . LYS   B 40  ? 0.45621  0.451978 0.734298 0.0895215   0.0852894   0.0118923   52  LYS   A HB2  
2409 H HB3  . LYS   B 40  ? 0.431651 0.456207 0.763957 0.0780016   0.062594    0.038669    52  LYS   A HB3  
2410 H HG2  . LYS   B 40  ? 0.462855 0.531728 0.796484 0.0664778   0.0813287   0.0451118   52  LYS   A HG2  
2411 H HG3  . LYS   B 40  ? 0.485708 0.52751  0.758919 0.0781096   0.102438    0.0188201   52  LYS   A HG3  
2412 H HD2  . LYS   B 40  ? 0.602229 0.65728  0.928911 0.123834    0.137194    0.0275822   52  LYS   A HD2  
2413 H HD3  . LYS   B 40  ? 0.576409 0.662066 0.972589 0.112691    0.113794    0.0557449   52  LYS   A HD3  
2414 H HE2  . LYS   B 40  ? 0.591221 0.723945 0.996696 0.0945719   0.128612    0.0709775   52  LYS   A HE2  
2415 H HE3  . LYS   B 40  ? 0.619506 0.725257 0.956729 0.110069    0.153921    0.045403    52  LYS   A HE3  
2416 H HZ1  . LYS   B 40  ? 0.662366 0.824661 1.1371   0.140636    0.167525    0.0866386   52  LYS   A HZ1  
2417 H HZ2  . LYS   B 40  ? 0.6941   0.822447 1.09563  0.156869    0.19192     0.0593586   52  LYS   A HZ2  
2418 H HZ3  . LYS   B 40  ? 0.663571 0.832898 1.10202  0.13918     0.190814    0.0822368   52  LYS   A HZ3  
2419 N N    . VAL   B 41  ? 0.383074 0.394744 0.630463 0.015793    0.0245541   0.0283147   53  VAL   A N    
2420 C CA   . VAL   B 41  ? 0.342658 0.355414 0.591737 -0.00388414 -0.00016529 0.038426    53  VAL   A CA   
2421 C C    . VAL   B 41  ? 0.32425  0.368133 0.604912 -0.00813747 0.00480443  0.0506998   53  VAL   A C    
2422 O O    . VAL   B 41  ? 0.347426 0.402519 0.618125 -0.00224698 0.0274462   0.0456161   53  VAL   A O    
2423 C CB   . VAL   B 41  ? 0.384833 0.369852 0.577506 -0.018495   -0.00835539 0.0247247   53  VAL   A CB   
2424 C CG1  . VAL   B 41  ? 0.413343 0.393216 0.597306 -0.0354417  -0.0304552  0.0319438   53  VAL   A CG1  
2425 C CG2  . VAL   B 41  ? 0.356955 0.311584 0.525159 -0.0169734  -0.0129654  0.0170229   53  VAL   A CG2  
2426 H H    . VAL   B 41  ? 0.356802 0.370007 0.585212 0.018754    0.0387228   0.0192086   53  VAL   A H    
2427 H HA   . VAL   B 41  ? 0.361607 0.371853 0.629548 -0.00440365 -0.0152969  0.0475621   53  VAL   A HA   
2428 H HB   . VAL   B 41  ? 0.366408 0.35523  0.542551 -0.0168104  0.00566284  0.0158177   53  VAL   A HB   
2429 H HG11 . VAL   B 41  ? 0.406896 0.392714 0.617924 -0.0365529  -0.0442842  0.0434177   53  VAL   A HG11 
2430 H HG12 . VAL   B 41  ? 0.392975 0.382965 0.576105 -0.038697   -0.0244978  0.0313814   53  VAL   A HG12 
2431 H HG13 . VAL   B 41  ? 0.410507 0.36951  0.561809 -0.0416223  -0.0371465  0.0260104   53  VAL   A HG13 
2432 H HG21 . VAL   B 41  ? 0.370612 0.311046 0.507791 -0.0265649  -0.0169309  0.010974    53  VAL   A HG21 
2433 H HG22 . VAL   B 41  ? 0.374949 0.327668 0.542782 -0.0071159  0.00087626  0.00916094  53  VAL   A HG22 
2434 H HG23 . VAL   B 41  ? 0.378986 0.329438 0.563201 -0.0160423  -0.0257878  0.0268193   53  VAL   A HG23 
2435 N N    . TYR   B 42  ? 0.325413 0.379675 0.642174 -0.019034   -0.0189786  0.0673414   54  TYR   A N    
2436 C CA   . TYR   B 42  ? 0.343974 0.426624 0.702821 -0.0272457  -0.0197557  0.0830062   54  TYR   A CA   
2437 C C    . TYR   B 42  ? 0.301781 0.363404 0.635465 -0.0494579  -0.0474624  0.0816993   54  TYR   A C    
2438 O O    . TYR   B 42  ? 0.351837 0.395978 0.679901 -0.058159   -0.0773967  0.0839611   54  TYR   A O    
2439 C CB   . TYR   B 42  ? 0.372711 0.488156 0.807763 -0.0233741  -0.0289274  0.105699    54  TYR   A CB   
2440 C CG   . TYR   B 42  ? 0.414765 0.552328 0.880865 0.00292635  0.00157821  0.109171    54  TYR   A CG   
2441 C CD1  . TYR   B 42  ? 0.445987 0.563486 0.896527 0.0174742   0.00091922  0.100528    54  TYR   A CD1  
2442 C CD2  . TYR   B 42  ? 0.407137 0.581375 0.914852 0.0142658   0.0320968   0.121636    54  TYR   A CD2  
2443 C CE1  . TYR   B 42  ? 0.435361 0.56499  0.90813  0.0440616   0.0292061   0.10092     54  TYR   A CE1  
2444 C CE2  . TYR   B 42  ? 0.469599 0.659548 0.998326 0.042046    0.0627793   0.123279    54  TYR   A CE2  
2445 C CZ   . TYR   B 42  ? 0.461792 0.627066 0.970395 0.0574086   0.0609868   0.110947    54  TYR   A CZ   
2446 O OH   . TYR   B 42  ? 0.55967  0.733809 1.08628  0.0870758   0.0907276   0.110863    54  TYR   A OH   
2447 H H    . TYR   B 42  ? 0.340328 0.382361 0.655534 -0.0223058  -0.0367377  0.0695667   54  TYR   A H    
2448 H HA   . TYR   B 42  ? 0.327415 0.42076  0.682794 -0.0214043  0.00234113  0.0809377   54  TYR   A HA   
2449 H HB2  . TYR   B 42  ? 0.383181 0.487027 0.81883  -0.0288116  -0.0531486  0.107956    54  TYR   A HB2  
2450 H HB3  . TYR   B 42  ? 0.369742 0.502949 0.83418  -0.0323054  -0.0313138  0.116788    54  TYR   A HB3  
2451 H HD1  . TYR   B 42  ? 0.442207 0.534738 0.863963 0.00985732  -0.0177299  0.0941796   54  TYR   A HD1  
2452 H HD2  . TYR   B 42  ? 0.412704 0.599122 0.932477 0.00385085  0.0331295   0.129346    54  TYR   A HD2  
2453 H HE1  . TYR   B 42  ? 0.460063 0.571886 0.921723 0.0538092   0.0281712   0.0947589   54  TYR   A HE1  
2454 H HE2  . TYR   B 42  ? 0.452458 0.666815 1.00593  0.0512701   0.0861403   0.132501    54  TYR   A HE2  
2456 N N    . VAL   B 43  ? 0.352547 0.414441 0.672388 -0.0574354  -0.0387375  0.0799214   55  VAL   A N    
2457 C CA   . VAL   B 43  ? 0.34033  0.375672 0.632004 -0.0761694  -0.0637602  0.076648    55  VAL   A CA   
2458 C C    . VAL   B 43  ? 0.368674 0.416732 0.690526 -0.0873403  -0.0626568  0.0887214   55  VAL   A C    
2459 O O    . VAL   B 43  ? 0.334871 0.410755 0.685084 -0.079065   -0.0355232  0.0977409   55  VAL   A O    
2460 C CB   . VAL   B 43  ? 0.342968 0.346269 0.562428 -0.0754775  -0.0573539  0.0563402   55  VAL   A CB   
2461 C CG1  . VAL   B 43  ? 0.342337 0.330177 0.531366 -0.0675259  -0.0567919  0.045683    55  VAL   A CG1  
2462 C CG2  . VAL   B 43  ? 0.330899 0.343444 0.534911 -0.0685731  -0.029285   0.0509529   55  VAL   A CG2  
2463 H H    . VAL   B 43  ? 0.324847 0.400837 0.650192 -0.0501565  -0.017335   0.080746    55  VAL   A H    
2464 H HA   . VAL   B 43  ? 0.362128 0.389285 0.6606   -0.0823479  -0.0868428  0.0802421   55  VAL   A HA   
2465 H HB   . VAL   B 43  ? 0.356638 0.339618 0.556536 -0.0860314  -0.0745324  0.0543578   55  VAL   A HB   
2466 H HG11 . VAL   B 43  ? 0.334208 0.335768 0.5346   -0.0568114  -0.0397058  0.0442886   55  VAL   A HG11 
2467 H HG12 . VAL   B 43  ? 0.355226 0.337219 0.553794 -0.0705966  -0.0747202  0.0511491   55  VAL   A HG12 
2468 H HG13 . VAL   B 43  ? 0.347869 0.316905 0.496653 -0.0698574  -0.0556347  0.0355175   55  VAL   A HG13 
2469 H HG21 . VAL   B 43  ? 0.329988 0.329186 0.496939 -0.0653037  -0.0239185  0.0388617   55  VAL   A HG21 
2470 H HG22 . VAL   B 43  ? 0.334883 0.344064 0.540937 -0.076199   -0.0331799  0.0551747   55  VAL   A HG22 
2471 H HG23 . VAL   B 43  ? 0.322059 0.356328 0.550674 -0.0593018  -0.0130915  0.0559924   55  VAL   A HG23 
2472 N N    . HIS   B 44  ? 0.377754 0.399748 0.686917 -0.105785   -0.0922518  0.0882595   56  HIS   A N    
2473 C CA   . HIS   B 44  ? 0.379927 0.393114 0.690771 -0.118098   -0.0924484  0.0924832   56  HIS   A CA   
2474 C C    . HIS   B 44  ? 0.382699 0.35259  0.617575 -0.118688   -0.0945461  0.0724559   56  HIS   A C    
2475 O O    . HIS   B 44  ? 0.408494 0.351307 0.598698 -0.118108   -0.10943    0.0594607   56  HIS   A O    
2476 C CB   . HIS   B 44  ? 0.389077 0.403739 0.751017 -0.139567   -0.124442   0.108107    56  HIS   A CB   
2477 C CG   . HIS   B 44  ? 0.399968 0.463643 0.846697 -0.140686   -0.110724   0.133317    56  HIS   A CG   
2478 N ND1  . HIS   B 44  ? 0.414838 0.499384 0.87359  -0.132095   -0.0734729  0.14199     56  HIS   A ND1  
2479 C CD2  . HIS   B 44  ? 0.40776  0.507582 0.928388 -0.144339   -0.122149   0.152456    56  HIS   A CD2  
2480 C CE1  . HIS   B 44  ? 0.40264  0.532338 0.941508 -0.133199   -0.0628824  0.167177    56  HIS   A CE1  
2481 N NE2  . HIS   B 44  ? 0.387591 0.530223 0.969216 -0.139924   -0.0914975  0.173852    56  HIS   A NE2  
2482 H H    . HIS   B 44  ? 0.392676 0.398626 0.689106 -0.110483   -0.113571   0.0850533   56  HIS   A H    
2483 H HA   . HIS   B 44  ? 0.362677 0.397291 0.690691 -0.110638   -0.0678728  0.0987315   56  HIS   A HA   
2484 H HB2  . HIS   B 44  ? 0.410396 0.415765 0.769781 -0.143743   -0.148449   0.10594     56  HIS   A HB2  
2485 H HB3  . HIS   B 44  ? 0.41554  0.404712 0.754825 -0.149189   -0.132487   0.103664    56  HIS   A HB3  
2487 H HD2  . HIS   B 44  ? 0.413966 0.511115 0.945381 -0.149412   -0.147841   0.153065    56  HIS   A HD2  
2488 H HE1  . HIS   B 44  ? 0.39274  0.543307 0.952922 -0.127746   -0.0372594  0.178893    56  HIS   A HE1  
2490 N N    . TYR   B 45  ? 0.370749 0.33534  0.590909 -0.117464   -0.0767589  0.0717225   57  TYR   A N    
2491 C CA   . TYR   B 45  ? 0.363353 0.292172 0.518225 -0.114209   -0.0744228  0.0546951   57  TYR   A CA   
2492 C C    . TYR   B 45  ? 0.414947 0.328367 0.567158 -0.119631   -0.0698158  0.0595996   57  TYR   A C    
2493 O O    . TYR   B 45  ? 0.379518 0.316308 0.575508 -0.122057   -0.0572369  0.0767565   57  TYR   A O    
2494 C CB   . TYR   B 45  ? 0.352142 0.291113 0.47255  -0.0964107  -0.0486167  0.0425871   57  TYR   A CB   
2495 C CG   . TYR   B 45  ? 0.331635 0.298035 0.466401 -0.0856604  -0.0198453  0.049329    57  TYR   A CG   
2496 C CD1  . TYR   B 45  ? 0.314006 0.316039 0.486682 -0.0773601  -0.00311332 0.0588446   57  TYR   A CD1  
2497 C CD2  . TYR   B 45  ? 0.314587 0.269117 0.422191 -0.081682   -0.0091914  0.0470661   57  TYR   A CD2  
2498 C CE1  . TYR   B 45  ? 0.293262 0.315461 0.46996  -0.0665547  0.0232055   0.065893    57  TYR   A CE1  
2499 C CE2  . TYR   B 45  ? 0.324065 0.299948 0.436641 -0.0709532  0.0147342   0.0543819   57  TYR   A CE2  
2500 C CZ   . TYR   B 45  ? 0.330189 0.339909 0.475779 -0.0637031  0.0311793   0.0640378   57  TYR   A CZ   
2501 O OH   . TYR   B 45  ? 0.318291 0.344839 0.45835  -0.0513817  0.0554068   0.0713404   57  TYR   A OH   
2502 H H    . TYR   B 45  ? 0.361348 0.345745 0.61402  -0.117648   -0.0650174  0.0834119   57  TYR   A H    
2503 H HA   . TYR   B 45  ? 0.396691 0.30022  0.52763  -0.120011   -0.094378   0.0473645   57  TYR   A HA   
2504 H HB2  . TYR   B 45  ? 0.360541 0.276565 0.441455 -0.0951539  -0.0508127  0.0320619   57  TYR   A HB2  
2505 H HB3  . TYR   B 45  ? 0.340706 0.289332 0.467285 -0.0930106  -0.0497302  0.0410043   57  TYR   A HB3  
2506 H HD1  . TYR   B 45  ? 0.307141 0.318394 0.502929 -0.0784678  -0.00962428 0.0620536   57  TYR   A HD1  
2507 H HD2  . TYR   B 45  ? 0.339702 0.268972 0.420834 -0.0848612  -0.0185282  0.040101    57  TYR   A HD2  
2508 H HE1  . TYR   B 45  ? 0.297029 0.340762 0.494117 -0.0589658  0.0364903   0.0715257   57  TYR   A HE1  
2509 H HE2  . TYR   B 45  ? 0.331378 0.2981   0.425147 -0.06764    0.0200395   0.0539589   57  TYR   A HE2  
2511 N N    . LYS   B 46  ? 0.430909 0.302112 0.528114 -0.119611   -0.0778976  0.0450065   58  LYS   A N    
2512 C CA   . LYS   B 46  ? 0.434963 0.283404 0.514987 -0.119043   -0.0706528  0.0456408   58  LYS   A CA   
2513 C C    . LYS   B 46  ? 0.454448 0.290929 0.478495 -0.10182    -0.0544529  0.0296593   58  LYS   A C    
2514 O O    . LYS   B 46  ? 0.482891 0.306182 0.471841 -0.0978462  -0.0599732  0.0162361   58  LYS   A O    
2515 C CB   . LYS   B 46  ? 0.510461 0.308468 0.5765   -0.134866   -0.0987066  0.0425459   58  LYS   A CB   
2516 C CG   . LYS   B 46  ? 0.535466 0.336732 0.649786 -0.155857   -0.127128   0.0536482   58  LYS   A CG   
2517 C CD   . LYS   B 46  ? 0.620631 0.36677  0.7202   -0.173887   -0.158363   0.0491317   58  LYS   A CD   
2518 C CE   . LYS   B 46  ? 0.613023 0.372881 0.780693 -0.197917   -0.18493    0.0663153   58  LYS   A CE   
2519 N NZ   . LYS   B 46  ? 0.650347 0.349916 0.798515 -0.216561   -0.217338   0.059192    58  LYS   A NZ   
2520 H H    . LYS   B 46  ? 0.439435 0.294458 0.508015 -0.118678   -0.0874604  0.034838    58  LYS   A H    
2521 H HA   . LYS   B 46  ? 0.432009 0.303273 0.541409 -0.117417   -0.0560634  0.0580051   58  LYS   A HA   
2522 H HB2  . LYS   B 46  ? 0.52732  0.29714  0.549255 -0.131252   -0.106554   0.0282883   58  LYS   A HB2  
2523 H HB3  . LYS   B 46  ? 0.517024 0.304949 0.582971 -0.134112   -0.0905601  0.0470752   58  LYS   A HB3  
2524 H HG2  . LYS   B 46  ? 0.517846 0.351396 0.679682 -0.158295   -0.116269   0.0693949   58  LYS   A HG2  
2525 H HG3  . LYS   B 46  ? 0.534656 0.342546 0.645792 -0.155671   -0.137356   0.0492315   58  LYS   A HG3  
2526 H HD2  . LYS   B 46  ? 0.636029 0.350679 0.689802 -0.172185   -0.172713   0.0338431   58  LYS   A HD2  
2527 H HD3  . LYS   B 46  ? 0.620743 0.351212 0.709841 -0.170876   -0.147043   0.0500861   58  LYS   A HD3  
2528 H HE2  . LYS   B 46  ? 0.586609 0.379197 0.801012 -0.198958   -0.168062   0.0831728   58  LYS   A HE2  
2529 H HE3  . LYS   B 46  ? 0.603483 0.37769  0.781895 -0.200215   -0.198501   0.0658379   58  LYS   A HE3  
2530 H HZ1  . LYS   B 46  ? 0.667356 0.350983 0.80489  -0.213465   -0.204454   0.0599159   58  LYS   A HZ1  
2531 H HZ2  . LYS   B 46  ? 0.685604 0.353005 0.786247 -0.21438    -0.232556   0.043129    58  LYS   A HZ2  
2532 H HZ3  . LYS   B 46  ? 0.666299 0.374764 0.860083 -0.233332   -0.235767   0.0703286   58  LYS   A HZ3  
2533 N N    . GLY   B 47  ? 0.422124 0.270627 0.443417 -0.0904182  -0.0320322  0.0341095   59  GLY   A N    
2534 C CA   . GLY   B 47  ? 0.433223 0.279773 0.414071 -0.0740427  -0.0172223  0.0222419   59  GLY   A CA   
2535 C C    . GLY   B 47  ? 0.449543 0.275278 0.413994 -0.0664589  -0.00917434 0.0255157   59  GLY   A C    
2536 O O    . GLY   B 47  ? 0.465446 0.289825 0.455373 -0.0719341  -0.00733808 0.0407731   59  GLY   A O    
2537 H H    . GLY   B 47  ? 0.427916 0.2872   0.474719 -0.0928972  -0.0262459  0.0461165   59  GLY   A H    
2538 H HA2  . GLY   B 47  ? 0.439127 0.268609 0.394647 -0.0739107  -0.0248301  0.0115755   59  GLY   A HA2  
2539 H HA3  . GLY   B 47  ? 0.402593 0.278548 0.391856 -0.0670614  -0.00460517 0.0231232   59  GLY   A HA3  
2540 N N    . LYS   B 48  ? 0.439113 0.246716 0.362984 -0.0535268  -0.0038775  0.01309     60  LYS   A N    
2541 C CA   . LYS   B 48  ? 0.445205 0.230383 0.351824 -0.0425719  0.00370746  0.0156491   60  LYS   A CA   
2542 C C    . LYS   B 48  ? 0.469185 0.263913 0.347562 -0.0229495  0.0180132   0.00570272  60  LYS   A C    
2543 O O    . LYS   B 48  ? 0.479186 0.281635 0.344086 -0.0218156  0.0182925   -0.00503815 60  LYS   A O    
2544 C CB   . LYS   B 48  ? 0.537678 0.266287 0.429056 -0.0502856  -0.0115647  0.0144152   60  LYS   A CB   
2545 C CG   . LYS   B 48  ? 0.585139 0.275055 0.434381 -0.05136    -0.0252715  -0.00437777 60  LYS   A CG   
2546 C CD   . LYS   B 48  ? 0.678976 0.302199 0.500546 -0.0563842  -0.0418522  -0.0103991  60  LYS   A CD   
2547 C CE   . LYS   B 48  ? 0.802394 0.385398 0.574526 -0.0570224  -0.056503   -0.0294025  60  LYS   A CE   
2548 N NZ   . LYS   B 48  ? 0.897284 0.411246 0.627807 -0.052314   -0.0648853  -0.0395242  60  LYS   A NZ   
2549 H H    . LYS   B 48  ? 0.435525 0.245357 0.34412  -0.050844   -0.00411892 0.00408579  60  LYS   A H    
2550 H HA   . LYS   B 48  ? 0.450228 0.254466 0.377054 -0.0408877  0.0119543   0.0273619   60  LYS   A HA   
2551 H HB2  . LYS   B 48  ? 0.54649  0.262308 0.427971 -0.0403067  -0.00366523 0.017332    60  LYS   A HB2  
2552 H HB3  . LYS   B 48  ? 0.534555 0.261866 0.451896 -0.0642142  -0.0208881  0.0232758   60  LYS   A HB3  
2553 H HG2  . LYS   B 48  ? 0.576551 0.276332 0.435803 -0.0619284  -0.0355123  -0.0055749  60  LYS   A HG2  
2554 H HG3  . LYS   B 48  ? 0.583022 0.279877 0.411308 -0.0376331  -0.013272   -0.0112948  60  LYS   A HG3  
2555 H HD2  . LYS   B 48  ? 0.704802 0.314997 0.513415 -0.0434781  -0.0307181  -0.00993552 60  LYS   A HD2  
2556 H HD3  . LYS   B 48  ? 0.694451 0.312424 0.542465 -0.0716165  -0.054252   -0.00184382 60  LYS   A HD3  
2557 H HE2  . LYS   B 48  ? 0.785604 0.369446 0.569183 -0.0720806  -0.0738761  -0.0289314  60  LYS   A HE2  
2558 H HE3  . LYS   B 48  ? 0.772932 0.371428 0.527523 -0.0447207  -0.0431613  -0.0349983  60  LYS   A HE3  
2559 H HZ1  . LYS   B 48  ? 0.899879 0.400778 0.650896 -0.0638631  -0.0755777  -0.0326535  60  LYS   A HZ1  
2560 H HZ2  . LYS   B 48  ? 0.89154  0.404116 0.608426 -0.0356305  -0.0479774  -0.0407975  60  LYS   A HZ2  
2561 H HZ3  . LYS   B 48  ? 0.922886 0.40632  0.619643 -0.0540297  -0.076544   -0.0513128  60  LYS   A HZ3  
2562 N N    . LEU   B 49  ? 0.469532 0.264042 0.343673 -0.0082736  0.0293198   0.0122892   61  LEU   A N    
2563 C CA   . LEU   B 49  ? 0.543123 0.343371 0.395574 0.011487    0.0411837   0.00472476  61  LEU   A CA   
2564 C C    . LEU   B 49  ? 0.662575 0.409903 0.478541 0.0149518   0.0363783   -0.00722029 61  LEU   A C    
2565 O O    . LEU   B 49  ? 0.700415 0.402652 0.507194 0.00564155  0.0236149   -0.00713849 61  LEU   A O    
2566 C CB   . LEU   B 49  ? 0.552556 0.366502 0.41094  0.0283791   0.0520369   0.0163999   61  LEU   A CB   
2567 C CG   . LEU   B 49  ? 0.561855 0.422397 0.444844 0.0270619   0.056328    0.0274452   61  LEU   A CG   
2568 C CD1  . LEU   B 49  ? 0.671724 0.538427 0.551256 0.0466272   0.0644145   0.0395786   61  LEU   A CD1  
2569 C CD2  . LEU   B 49  ? 0.524621 0.422955 0.413762 0.0240138   0.0570538   0.0164562   61  LEU   A CD2  
2570 H H    . LEU   B 49  ? 0.491867 0.283806 0.378288 -0.00989618 0.0301046   0.0227936   61  LEU   A H    
2571 H HA   . LEU   B 49  ? 0.517078 0.344572 0.373844 0.0114432   0.0443651   -1.034e-05  61  LEU   A HA   
2572 H HB2  . LEU   B 49  ? 0.59037  0.373776 0.444105 0.0282371   0.0493317   0.0218507   61  LEU   A HB2  
2573 H HB3  . LEU   B 49  ? 0.565314 0.385639 0.414044 0.0418063   0.0589864   0.0119291   61  LEU   A HB3  
2574 H HG   . LEU   B 49  ? 0.565621 0.421025 0.46045  0.0156846   0.0525924   0.0340339   61  LEU   A HG   
2575 H HD11 . LEU   B 49  ? 0.665494 0.501771 0.540675 0.0469141   0.0635177   0.04637     61  LEU   A HD11 
2576 H HD12 . LEU   B 49  ? 0.625594 0.518865 0.513992 0.0475742   0.0668224   0.0466455   61  LEU   A HD12 
2577 H HD13 . LEU   B 49  ? 0.640708 0.514367 0.513373 0.0583346   0.0677614   0.0341391   61  LEU   A HD13 
2578 H HD21 . LEU   B 49  ? 0.516045 0.411201 0.410928 0.0114878   0.0516649   0.0133884   61  LEU   A HD21 
2579 H HD22 . LEU   B 49  ? 0.528237 0.424658 0.407604 0.0303429   0.0594478   0.0091628   61  LEU   A HD22 
2580 H HD23 . LEU   B 49  ? 0.509727 0.436246 0.406938 0.028519    0.0603759   0.0204395   61  LEU   A HD23 
2581 N N    . SER   B 50  ? 0.675494 0.426229 0.469847 0.0273617   0.0461935   -0.0174838  62  SER   A N    
2582 C CA   . SER   B 50  ? 0.832977 0.528293 0.582807 0.0356617   0.0456552   -0.029389   62  SER   A CA   
2583 C C    . SER   B 50  ? 0.805874 0.465735 0.544237 0.0520459   0.050723    -0.0257546  62  SER   A C    
2584 O O    . SER   B 50  ? 0.977652 0.575173 0.682413 0.0526303   0.0422412   -0.0339091  62  SER   A O    
2585 C CB   . SER   B 50  ? 0.827905 0.540158 0.560634 0.0469671   0.0605632   -0.0372194  62  SER   A CB   
2586 O OG   . SER   B 50  ? 0.773462 0.519992 0.523158 0.0678221   0.0796303   -0.0310371  62  SER   A OG   
2587 H H    . SER   B 50  ? 0.666043 0.45128  0.47194  0.0309014   0.0536157   -0.0170469  62  SER   A H    
2588 H HA   . SER   B 50  ? 0.814418 0.482647 0.553651 0.0218795   0.0309822   -0.0336541  62  SER   A HA   
2589 H HB2  . SER   B 50  ? 0.859402 0.533311 0.556985 0.0511852   0.0601069   -0.0459323  62  SER   A HB2  
2590 H HB3  . SER   B 50  ? 0.788969 0.526655 0.535104 0.0361247   0.0574511   -0.0367104  62  SER   A HB3  
2592 N N    . ASN   B 51  ? 0.983554 0.679714 0.748863 0.0653796   0.0622641   -0.0128805  63  ASN   A N    
2593 C CA   . ASN   B 51  ? 0.999852 0.670812 0.765227 0.0789893   0.065399    -0.00274423 63  ASN   A CA   
2594 C C    . ASN   B 51  ? 1.10492  0.735012 0.874846 0.0595703   0.0489716   0.00416891  63  ASN   A C    
2595 O O    . ASN   B 51  ? 1.23284  0.832328 1.00097  0.0681464   0.0504402   0.013681    63  ASN   A O    
2596 C CB   . ASN   B 51  ? 0.911629 0.639463 0.708661 0.0914887   0.0752555   0.012722    63  ASN   A CB   
2597 H H    . ASN   B 51  ? 0.886057 0.624748 0.669907 0.0662647   0.0676274   -0.00988415 63  ASN   A H    
2598 H HA   . ASN   B 51  ? 1.04252  0.684948 0.784165 0.0944205   0.0721853   -0.0093196  63  ASN   A HA   
2601 N N    . GLY   B 52  ? 1.20186  0.833777 0.983258 0.0334137   0.0334292   0.00199196  64  GLY   A N    
2602 C CA   . GLY   B 52  ? 1.14712  0.750929 0.945513 0.0104687   0.0163439   0.0104225   64  GLY   A CA   
2603 C C    . GLY   B 52  ? 1.10791  0.735996 0.941978 0.00912833  0.0236383   0.0343667   64  GLY   A C    
2604 O O    . GLY   B 52  ? 1.08931  0.686944 0.938418 -0.00602796 0.0139959   0.0454662   64  GLY   A O    
2605 H H    . GLY   B 52  ? 1.12335  0.778361 0.90569  0.0295422   0.0335554   -0.00400049 64  GLY   A H    
2606 H HA2  . GLY   B 52  ? 1.14066  0.756678 0.949195 -0.00492556 0.006766    0.00744854  64  GLY   A HA2  
2607 H HA3  . GLY   B 52  ? 1.2058   0.759095 0.981497 0.0103271   0.008474    0.00378739  64  GLY   A HA3  
2608 N N    . LYS   B 53  ? 0.968684 0.649267 0.815552 0.0241046   0.0397312   0.0437569   65  LYS   A N    
2609 C CA   . LYS   B 53  ? 0.857165 0.547162 0.720592 0.0304502   0.0485111   0.0665711   65  LYS   A CA   
2610 C C    . LYS   B 53  ? 0.7544   0.486353 0.651893 0.0146719   0.0509988   0.0823468   65  LYS   A C    
2611 O O    . LYS   B 53  ? 0.738472 0.474289 0.650325 0.0149884   0.0587204   0.104528    65  LYS   A O    
2612 C CB   . LYS   B 53  ? 0.876188 0.580372 0.723244 0.0602525   0.0611234   0.0669745   65  LYS   A CB   
2613 H H    . LYS   B 53  ? 0.931345 0.640589 0.775639 0.0298304   0.0442987   0.0365691   65  LYS   A H    
2614 H HA   . LYS   B 53  ? 0.905944 0.554264 0.76594  0.0262906   0.0435296   0.0712867   65  LYS   A HA   
2617 N N    . LYS   B 54  ? 0.604941 0.363064 0.51529  0.00055911  0.0452989   0.0725182   66  LYS   A N    
2618 C CA   . LYS   B 54  ? 0.577986 0.37849  0.518201 -0.00956838 0.0506251   0.0837443   66  LYS   A CA   
2619 C C    . LYS   B 54  ? 0.587516 0.38341  0.540973 -0.029467   0.0353874   0.0716838   66  LYS   A C    
2620 O O    . LYS   B 54  ? 0.599296 0.384243 0.528399 -0.0263131  0.0280195   0.0518508   66  LYS   A O    
2621 C CB   . LYS   B 54  ? 0.527507 0.375495 0.458221 0.00759155  0.0626174   0.0807231   66  LYS   A CB   
2622 H H    . LYS   B 54  ? 0.636458 0.383911 0.5346   -0.00142947 0.0385367   0.0580681   66  LYS   A H    
2623 H HA   . LYS   B 54  ? 0.591786 0.386506 0.546949 -0.0140984  0.0545078   0.100457    66  LYS   A HA   
2626 N N    . PHE   B 55  ? 0.564477 0.361227 0.554293 -0.0488526  0.0296147   0.0850955   67  PHE   A N    
2627 C CA   . PHE   B 55  ? 0.526169 0.325567 0.539362 -0.068431   0.0127952   0.0792121   67  PHE   A CA   
2628 C C    . PHE   B 55  ? 0.510053 0.360129 0.564494 -0.0721767  0.0248544   0.093513    67  PHE   A C    
2629 O O    . PHE   B 55  ? 0.580194 0.449848 0.649208 -0.0660679  0.0438071   0.112918    67  PHE   A O    
2630 C CB   . PHE   B 55  ? 0.578695 0.327843 0.603246 -0.0874276  -0.00690536 0.0849482   67  PHE   A CB   
2631 C CG   . PHE   B 55  ? 0.680928 0.416398 0.717048 -0.107688   -0.0344544  0.0743559   67  PHE   A CG   
2632 C CD1  . PHE   B 55  ? 0.65008  0.416107 0.742437 -0.125741   -0.0417125  0.0889602   67  PHE   A CD1  
2633 C CD2  . PHE   B 55  ? 0.79577  0.490448 0.785538 -0.106452   -0.05241    0.0508413   67  PHE   A CD2  
2634 C CE1  . PHE   B 55  ? 0.684342 0.440584 0.789639 -0.14335    -0.0706116  0.0810704   67  PHE   A CE1  
2635 C CE2  . PHE   B 55  ? 0.867288 0.54567  0.860295 -0.124113   -0.0808721  0.0419686   67  PHE   A CE2  
2636 C CZ   . PHE   B 55  ? 0.749743 0.460226 0.801825 -0.142925   -0.092038   0.0570627   67  PHE   A CZ   
2637 H H    . PHE   B 55  ? 0.573494 0.370659 0.577107 -0.0496551  0.0367499   0.100931    67  PHE   A H    
2638 H HA   . PHE   B 55  ? 0.529354 0.325171 0.521626 -0.0654963  0.00642259  0.063099    67  PHE   A HA   
2639 H HB2  . PHE   B 55  ? 0.624964 0.340907 0.61959  -0.0799952  -0.00869998 0.0777938   67  PHE   A HB2  
2640 H HB3  . PHE   B 55  ? 0.600262 0.357748 0.654012 -0.0934975  -0.00045374 0.103356    67  PHE   A HB3  
2641 H HD1  . PHE   B 55  ? 0.64449  0.438867 0.766987 -0.125062   -0.0266502  0.105525    67  PHE   A HD1  
2642 H HD2  . PHE   B 55  ? 0.794287 0.469654 0.748927 -0.0930369  -0.0457265  0.0417969   67  PHE   A HD2  
2643 H HE1  . PHE   B 55  ? 0.675    0.455267 0.82377  -0.154476   -0.0754254  0.0927169   67  PHE   A HE1  
2644 H HE2  . PHE   B 55  ? 0.851233 0.499196 0.806104 -0.121706   -0.0917796  0.0263831   67  PHE   A HE2  
2645 H HZ   . PHE   B 55  ? 0.770913 0.472738 0.826648 -0.154089   -0.113207   0.0519651   67  PHE   A HZ   
2646 N N    . ASP   B 56  ? 0.41617  0.28666  0.485068 -0.0786678  0.0168042   0.0849324   68  ASP   A N    
2647 C CA   . ASP   B 56  ? 0.423447 0.33869  0.528686 -0.0782041  0.0298066   0.0960771   68  ASP   A CA   
2648 C C    . ASP   B 56  ? 0.433094 0.350482 0.566704 -0.0936844  0.00926213  0.0919787   68  ASP   A C    
2649 O O    . ASP   B 56  ? 0.462851 0.359401 0.568966 -0.0959794  -0.00861385 0.0733448   68  ASP   A O    
2650 C CB   . ASP   B 56  ? 0.398383 0.341685 0.477017 -0.0591966  0.0457725   0.0844941   68  ASP   A CB   
2651 C CG   . ASP   B 56  ? 0.3811   0.363306 0.487034 -0.0555216  0.0580384   0.0889832   68  ASP   A CG   
2652 O OD1  . ASP   B 56  ? 0.37347  0.373157 0.517061 -0.0589042  0.0694561   0.109428    68  ASP   A OD1  
2653 O OD2  . ASP   B 56  ? 0.392452 0.386493 0.481079 -0.0476587  0.0586677   0.072774    68  ASP   A OD2  
2654 H H    . ASP   B 56  ? 0.4439   0.297847 0.497344 -0.0821089  0.00340056  0.0718611   68  ASP   A H    
2655 H HA   . ASP   B 56  ? 0.42852  0.351805 0.556823 -0.0804224  0.0396817   0.113539    68  ASP   A HA   
2656 H HB2  . ASP   B 56  ? 0.405493 0.350397 0.467872 -0.0490611  0.0572104   0.088686    68  ASP   A HB2  
2657 H HB3  . ASP   B 56  ? 0.395577 0.328122 0.45181  -0.0578572  0.0367767   0.0690755   68  ASP   A HB3  
2658 N N    . SER   B 57  ? 0.427438 0.372304 0.616377 -0.102723   0.0126293   0.110815    69  SER   A N    
2659 C CA   . SER   B 57  ? 0.470524 0.423189 0.690539 -0.114947   -0.00849894 0.108333    69  SER   A CA   
2660 C C    . SER   B 57  ? 0.405768 0.406517 0.688087 -0.11429    0.00612657  0.128212    69  SER   A C    
2661 O O    . SER   B 57  ? 0.454768 0.475627 0.775223 -0.115966   0.0240417   0.150981    69  SER   A O    
2662 C CB   . SER   B 57  ? 0.529993 0.443582 0.758034 -0.137412   -0.0425434  0.107464    69  SER   A CB   
2663 O OG   . SER   B 57  ? 0.544479 0.46669  0.828989 -0.152845   -0.042954   0.131709    69  SER   A OG   
2664 H H    . SER   B 57  ? 0.438579 0.398047 0.646626 -0.100666   0.0279086   0.126047    69  SER   A H    
2665 H HA   . SER   B 57  ? 0.444254 0.394564 0.636408 -0.107816   -0.0115648  0.0929617   69  SER   A HA   
2666 H HB2  . SER   B 57  ? 0.52195  0.435486 0.755288 -0.142842   -0.0598384  0.101271    69  SER   A HB2  
2667 H HB3  . SER   B 57  ? 0.541145 0.422203 0.728721 -0.135336   -0.0472904  0.0963627   69  SER   A HB3  
2669 N N    . SER   B 58  ? 0.405216 0.421723 0.699146 -0.111988   -0.00298973 0.120477    70  SER   A N    
2670 C CA   . SER   B 58  ? 0.373452 0.434112 0.725519 -0.107521   0.010016    0.136671    70  SER   A CA   
2671 C C    . SER   B 58  ? 0.388317 0.460436 0.811718 -0.1291     -0.00617744 0.160267    70  SER   A C    
2672 O O    . SER   B 58  ? 0.390705 0.503117 0.875057 -0.127297   0.0121686   0.183284    70  SER   A O    
2673 C CB   . SER   B 58  ? 0.374471 0.441328 0.717698 -0.0990642  0.00161294  0.122228    70  SER   A CB   
2674 O OG   . SER   B 58  ? 0.418721 0.457744 0.753508 -0.114473   -0.0357266  0.113163    70  SER   A OG   
2675 H H    . SER   B 58  ? 0.399074 0.397322 0.663475 -0.112148   -0.0168089  0.105439    70  SER   A H    
2676 H HA   . SER   B 58  ? 0.375516 0.45376  0.726075 -0.0951375  0.0363269   0.142985    70  SER   A HA   
2677 H HB2  . SER   B 58  ? 0.370124 0.465727 0.753471 -0.0939949  0.0111458   0.133219    70  SER   A HB2  
2678 H HB3  . SER   B 58  ? 0.371196 0.431631 0.673381 -0.0870213  0.0128033   0.108676    70  SER   A HB3  
2680 N N    . HIS   B 59  ? 0.419176 0.454464 0.835212 -0.149904   -0.0417732  0.154321    71  HIS   A N    
2681 C CA   . HIS   B 59  ? 0.467154 0.505185 0.948543 -0.175542   -0.0661503  0.173963    71  HIS   A CA   
2682 C C    . HIS   B 59  ? 0.455853 0.510305 0.976873 -0.179894   -0.0399422  0.199979    71  HIS   A C    
2683 O O    . HIS   B 59  ? 0.528654 0.612968 1.12999  -0.195665   -0.043514   0.22615     71  HIS   A O    
2684 C CB   . HIS   B 59  ? 0.503126 0.481856 0.942509 -0.194032   -0.10712    0.156296    71  HIS   A CB   
2685 C CG   . HIS   B 59  ? 0.589594 0.556107 1.0033   -0.193582   -0.136283   0.138348    71  HIS   A CG   
2686 N ND1  . HIS   B 59  ? 0.620287 0.623306 1.09714  -0.199553   -0.152505   0.151555    71  HIS   A ND1  
2687 C CD2  . HIS   B 59  ? 0.724155 0.652419 1.06215  -0.18562    -0.147962   0.112559    71  HIS   A CD2  
2688 C CE1  . HIS   B 59  ? 0.64824  0.630207 1.08438  -0.196699   -0.177435   0.134017    71  HIS   A CE1  
2689 N NE2  . HIS   B 59  ? 0.720422 0.65677  1.07095  -0.18855    -0.173665   0.110439    71  HIS   A NE2  
2690 H H    . HIS   B 59  ? 0.43057  0.43639  0.798204 -0.148366   -0.0523643  0.136834    71  HIS   A H    
2691 H HA   . HIS   B 59  ? 0.449729 0.515721 0.975533 -0.17748    -0.0730576  0.182275    71  HIS   A HA   
2692 H HB2  . HIS   B 59  ? 0.527913 0.479399 0.917042 -0.187011   -0.0979957  0.145077    71  HIS   A HB2  
2693 H HB3  . HIS   B 59  ? 0.540854 0.515235 1.01943  -0.212583   -0.123069   0.168753    71  HIS   A HB3  
2695 H HD2  . HIS   B 59  ? 0.697397 0.59851  0.985208 -0.179249   -0.140683   0.0998599   71  HIS   A HD2  
2696 H HE1  . HIS   B 59  ? 0.654988 0.652945 1.11901  -0.198828   -0.193782   0.138844    71  HIS   A HE1  
2698 N N    . ASP   B 60  ? 0.484922 0.519943 0.952493 -0.166838   -0.0152669  0.194957    72  ASP   A N    
2699 C CA   . ASP   B 60  ? 0.587672 0.633933 1.08396  -0.168797   0.0117897   0.221778    72  ASP   A CA   
2700 C C    . ASP   B 60  ? 0.508892 0.615024 1.05736  -0.15517    0.0482913   0.245471    72  ASP   A C    
2701 O O    . ASP   B 60  ? 0.522225 0.647482 1.12071  -0.162829   0.0664481   0.275133    72  ASP   A O    
2702 C CB   . ASP   B 60  ? 0.658547 0.681001 1.08843  -0.151528   0.0354436   0.215604    72  ASP   A CB   
2703 C CG   . ASP   B 60  ? 0.756641 0.718478 1.13527  -0.160206   0.0100595   0.197642    72  ASP   A CG   
2704 O OD1  . ASP   B 60  ? 0.987869 0.923027 1.39656  -0.184802   -0.0165398  0.204119    72  ASP   A OD1  
2705 O OD2  . ASP   B 60  ? 0.891413 0.833985 1.20349  -0.142198   0.0163568   0.177301    72  ASP   A OD2  
2706 H H    . ASP   B 60  ? 0.49202  0.506876 0.905925 -0.15667    -0.0155949  0.17613     72  ASP   A H    
2707 H HA   . ASP   B 60  ? 0.588808 0.621936 1.11829  -0.189193   -0.0058987  0.232467    72  ASP   A HA   
2708 H HB2  . ASP   B 60  ? 0.639207 0.672717 1.03552  -0.133208   0.0486362   0.203161    72  ASP   A HB2  
2709 H HB3  . ASP   B 60  ? 0.665831 0.701443 1.11834  -0.150997   0.0561362   0.236875    72  ASP   A HB3  
2710 N N    . ARG   B 61  ? 0.490585 0.621347 1.02126  -0.133324   0.0618634   0.232303    73  ARG   A N    
2711 C CA   . ARG   B 61  ? 0.46074  0.643851 1.03359  -0.115578   0.0982888   0.251158    73  ARG   A CA   
2712 C C    . ARG   B 61  ? 0.411879 0.631061 1.06644  -0.125281   0.0825353   0.263499    73  ARG   A C    
2713 O O    . ARG   B 61  ? 0.382757 0.648356 1.08523  -0.110527   0.111425    0.281274    73  ARG   A O    
2714 C CB   . ARG   B 61  ? 0.482576 0.660574 0.980551 -0.0863756  0.118504    0.226387    73  ARG   A CB   
2715 C CG   . ARG   B 61  ? 0.458019 0.603501 0.883948 -0.079137   0.12799     0.21724     73  ARG   A CG   
2716 C CD   . ARG   B 61  ? 0.436384 0.576258 0.791589 -0.0542305  0.14137     0.19237     73  ARG   A CD   
2717 N NE   . ARG   B 61  ? 0.418652 0.53973  0.744056 -0.0555913  0.114399    0.162711    73  ARG   A NE   
2718 C CZ   . ARG   B 61  ? 0.47154  0.558624 0.740967 -0.0574303  0.0961016   0.14004     73  ARG   A CZ   
2719 N NH1  . ARG   B 61  ? 0.469977 0.533906 0.708734 -0.059545   0.0956393   0.141403    73  ARG   A NH1  
2720 N NH2  . ARG   B 61  ? 0.379682 0.456459 0.62845  -0.0568657  0.0785392   0.117917    73  ARG   A NH2  
2721 H H    . ARG   B 61  ? 0.476124 0.588489 0.965507 -0.128523   0.0489639   0.210683    73  ARG   A H    
2722 H HA   . ARG   B 61  ? 0.475812 0.669785 1.06782  -0.116058   0.11948     0.271951    73  ARG   A HA   
2723 H HB2  . ARG   B 61  ? 0.454363 0.621128 0.934724 -0.0865282  0.0990413   0.207463    73  ARG   A HB2  
2724 H HB3  . ARG   B 61  ? 0.464707 0.671417 0.97886  -0.0713036  0.144483    0.235576    73  ARG   A HB3  
2725 H HG2  . ARG   B 61  ? 0.477357 0.632707 0.918225 -0.0780184  0.148016    0.237489    73  ARG   A HG2  
2726 H HG3  . ARG   B 61  ? 0.467274 0.58364  0.87888  -0.0925731  0.104406    0.208994    73  ARG   A HG3  
2727 H HD2  . ARG   B 61  ? 0.441145 0.605283 0.805719 -0.0400474  0.164125    0.198613    73  ARG   A HD2  
2728 H HD3  . ARG   B 61  ? 0.450872 0.575278 0.768843 -0.0498189  0.147446    0.190994    73  ARG   A HD3  
2729 H HE   . ARG   B 61  ? 0.42131  0.555202 0.768723 -0.0544647  0.111177    0.160971    73  ARG   A HE   
2730 H HH11 . ARG   B 61  ? 0.48604  0.544073 0.745461 -0.0694416  0.093214    0.154926    73  ARG   A HH11 
2731 H HH12 . ARG   B 61  ? 0.474416 0.528559 0.673706 -0.0510073  0.0973291   0.129324    73  ARG   A HH12 
2732 H HH21 . ARG   B 61  ? 0.394911 0.480539 0.669351 -0.060053   0.0712897   0.118731    73  ARG   A HH21 
2733 H HH22 . ARG   B 61  ? 0.399797 0.461493 0.610405 -0.053074   0.0745786   0.103653    73  ARG   A HH22 
2734 N N    . ASN   B 62  ? 0.426955 0.621934 1.09046  -0.147486   0.0356817   0.252204    74  ASN   A N    
2735 C CA   . ASN   B 62  ? 0.442606 0.664001 1.17584  -0.159237   0.00769814  0.260466    74  ASN   A CA   
2736 C C    . ASN   B 62  ? 0.397402 0.653099 1.13855  -0.13247    0.0262483   0.25579     74  ASN   A C    
2737 O O    . ASN   B 62  ? 0.377007 0.677787 1.19885  -0.132144   0.0266158   0.276388    74  ASN   A O    
2738 C CB   . ASN   B 62  ? 0.480031 0.730868 1.31089  -0.183922   0.00270379  0.295953    74  ASN   A CB   
2739 C CG   . ASN   B 62  ? 0.455424 0.720358 1.35386  -0.205559   -0.0437543  0.301948    74  ASN   A CG   
2740 O OD1  . ASN   B 62  ? 0.480889 0.707839 1.33526  -0.213452   -0.0854905  0.277191    74  ASN   A OD1  
2741 N ND2  . ASN   B 62  ? 0.435614 0.75885  1.4392   -0.211192   -0.0348813  0.334985    74  ASN   A ND2  
2742 H H    . ASN   B 62  ? 0.438923 0.597087 1.05941  -0.154845   0.0192213   0.238192    74  ASN   A H    
2743 H HA   . ASN   B 62  ? 0.445131 0.634963 1.15107  -0.170518   -0.0253864  0.244105    74  ASN   A HA   
2744 H HB2  . ASN   B 62  ? 0.485109 0.707856 1.29921  -0.197391   -0.00319208 0.297059    74  ASN   A HB2  
2745 H HB3  . ASN   B 62  ? 0.461515 0.749926 1.32896  -0.172165   0.0361046   0.315254    74  ASN   A HB3  
2746 H HD21 . ASN   B 62  ? 0.439234 0.779821 1.48475  -0.21749    -0.0579808  0.338955    74  ASN   A HD21 
2747 H HD22 . ASN   B 62  ? 0.441839 0.788421 1.47623  -0.208334   -0.00550841 0.354576    74  ASN   A HD22 
2748 N N    . GLU   B 63  ? 0.406727 0.640022 1.06782  -0.110552   0.039713    0.229119    75  GLU   A N    
2749 C CA   . GLU   B 63  ? 0.413559 0.667698 1.06861  -0.0835443  0.059862    0.220982    75  GLU   A CA   
2750 C C    . GLU   B 63  ? 0.367205 0.578933 0.937043 -0.0761629  0.0450708   0.186735    75  GLU   A C    
2751 O O    . GLU   B 63  ? 0.357544 0.535134 0.862197 -0.0787906  0.0448003   0.170922    75  GLU   A O    
2752 C CB   . GLU   B 63  ? 0.441746 0.718722 1.08491  -0.0571772  0.11201     0.228384    75  GLU   A CB   
2753 C CG   . GLU   B 63  ? 0.469011 0.79961  1.20325  -0.0544973  0.138472    0.264648    75  GLU   A CG   
2754 C CD   . GLU   B 63  ? 0.482299 0.85139  1.29898  -0.0529007  0.125872    0.278099    75  GLU   A CD   
2755 O OE1  . GLU   B 63  ? 0.411976 0.818691 1.32024  -0.0689354  0.119864    0.308391    75  GLU   A OE1  
2756 O OE2  . GLU   B 63  ? 0.603961 0.966242 1.39755  -0.0357218  0.120992    0.259785    75  GLU   A OE2  
2757 H H    . GLU   B 63  ? 0.410539 0.612373 1.01862  -0.112828   0.0353804   0.215099    75  GLU   A H    
2758 H HA   . GLU   B 63  ? 0.401867 0.67941  1.11059  -0.0858213  0.049011    0.231634    75  GLU   A HA   
2759 H HB2  . GLU   B 63  ? 0.446803 0.704676 1.04836  -0.0584615  0.119933    0.223841    75  GLU   A HB2  
2760 H HB3  . GLU   B 63  ? 0.436725 0.710936 1.05133  -0.0394455  0.121208    0.214023    75  GLU   A HB3  
2761 H HG2  . GLU   B 63  ? 0.47419  0.80548  1.23416  -0.0727741  0.131888    0.279524    75  GLU   A HG2  
2762 H HG3  . GLU   B 63  ? 0.476385 0.81801  1.19363  -0.0347296  0.173432    0.267716    75  GLU   A HG3  
2763 N N    . PRO   B 64  ? 0.357252 0.570809 0.929114 -0.0666918  0.0331258   0.176823    76  PRO   A N    
2764 C CA   . PRO   B 64  ? 0.361786 0.535309 0.859635 -0.0633045  0.0183132   0.148276    76  PRO   A CA   
2765 C C    . PRO   B 64  ? 0.311847 0.473442 0.746135 -0.0442597  0.0496709   0.130827    76  PRO   A C    
2766 O O    . PRO   B 64  ? 0.313115 0.498012 0.758008 -0.0262544  0.0833253   0.137814    76  PRO   A O    
2767 C CB   . PRO   B 64  ? 0.365337 0.547872 0.890986 -0.0560755  0.00291273  0.148462    76  PRO   A CB   
2768 C CG   . PRO   B 64  ? 0.390646 0.620881 1.00856  -0.0544193  0.00758515  0.176495    76  PRO   A CG   
2769 C CD   . PRO   B 64  ? 0.332806 0.586176 0.980227 -0.0589308  0.0331242   0.194678    76  PRO   A CD   
2770 H HA   . PRO   B 64  ? 0.357272 0.50641  0.83344  -0.0786107  -0.00398084 0.142448    76  PRO   A HA   
2771 H HB2  . PRO   B 64  ? 0.367957 0.545398 0.866564 -0.0401503  0.0181071   0.137202    76  PRO   A HB2  
2772 H HB3  . PRO   B 64  ? 0.37547  0.536353 0.884807 -0.0677957  -0.0255558  0.141902    76  PRO   A HB3  
2773 H HG2  . PRO   B 64  ? 0.368826 0.61426  1.0003   -0.0360977  0.024064    0.177496    76  PRO   A HG2  
2774 H HG3  . PRO   B 64  ? 0.374485 0.605491 1.02102  -0.0683345  -0.0221486  0.183238    76  PRO   A HG3  
2775 H HD2  . PRO   B 64  ? 0.350708 0.626539 1.0118   -0.0410461  0.0644294   0.201177    76  PRO   A HD2  
2776 H HD3  . PRO   B 64  ? 0.353613 0.623357 1.05367  -0.0742056  0.0177781   0.211675    76  PRO   A HD3  
2777 N N    . PHE   B 65  ? 0.283603 0.409015 0.651584 -0.0472287  0.0375132   0.107942    77  PHE   A N    
2778 C CA   . PHE   B 65  ? 0.298293 0.411531 0.608214 -0.0316127  0.0582564   0.0889698   77  PHE   A CA   
2779 C C    . PHE   B 65  ? 0.339454 0.444583 0.637323 -0.0204424  0.055333    0.0749401   77  PHE   A C    
2780 O O    . PHE   B 65  ? 0.296163 0.38741  0.598562 -0.030193   0.0293109   0.0730502   77  PHE   A O    
2781 C CB   . PHE   B 65  ? 0.299749 0.382113 0.555809 -0.0423579  0.0452482   0.0750239   77  PHE   A CB   
2782 C CG   . PHE   B 65  ? 0.277984 0.349835 0.479059 -0.0298527  0.0598921   0.0559689   77  PHE   A CG   
2783 C CD1  . PHE   B 65  ? 0.314162 0.397148 0.499577 -0.0183267  0.0838019   0.0583856   77  PHE   A CD1  
2784 C CD2  . PHE   B 65  ? 0.31742  0.369376 0.484896 -0.0297406  0.0490988   0.0373331   77  PHE   A CD2  
2785 C CE1  . PHE   B 65  ? 0.318545 0.3922   0.453883 -0.00820954 0.0915405   0.0403142   77  PHE   A CE1  
2786 C CE2  . PHE   B 65  ? 0.31145  0.356257 0.436169 -0.0214604  0.0589627   0.020761    77  PHE   A CE2  
2787 C CZ   . PHE   B 65  ? 0.337795 0.393944 0.447192 -0.0107951  0.0781615   0.0213688   77  PHE   A CZ   
2788 H H    . PHE   B 65  ? 0.296763 0.404354 0.655726 -0.059763   0.0145174   0.104191    77  PHE   A H    
2789 H HA   . PHE   B 65  ? 0.306345 0.435268 0.620936 -0.0212824  0.0814143   0.0951262   77  PHE   A HA   
2790 H HB2  . PHE   B 65  ? 0.297635 0.381686 0.562045 -0.0489331  0.0465212   0.0844477   77  PHE   A HB2  
2791 H HB3  . PHE   B 65  ? 0.295351 0.361673 0.545279 -0.0515802  0.0243206   0.0700698   77  PHE   A HB3  
2792 H HD1  . PHE   B 65  ? 0.310937 0.40711  0.518753 -0.0182567  0.093424    0.0730875   77  PHE   A HD1  
2793 H HD2  . PHE   B 65  ? 0.305164 0.347834 0.479129 -0.0366309  0.0334879   0.0369353   77  PHE   A HD2  
2794 H HE1  . PHE   B 65  ? 0.332663 0.412606 0.453273 0.00016069  0.105638    0.0421119   77  PHE   A HE1  
2795 H HE2  . PHE   B 65  ? 0.317228 0.349638 0.424223 -0.0232911  0.0517547   0.00992707  77  PHE   A HE2  
2796 H HZ   . PHE   B 65  ? 0.331604 0.383378 0.412482 -0.00563355 0.0817015   0.00982037  77  PHE   A HZ   
2797 N N    . VAL   B 66  ? 0.329583 0.441084 0.612507 -7.482e-05  0.0814726   0.0671219   78  VAL   A N    
2798 C CA   . VAL   B 66  ? 0.333478 0.436482 0.613738 0.0130417   0.0826144   0.0564189   78  VAL   A CA   
2799 C C    . VAL   B 66  ? 0.362344 0.440728 0.579786 0.0196788   0.090139    0.031884    78  VAL   A C    
2800 O O    . VAL   B 66  ? 0.369193 0.450368 0.556879 0.0258066   0.106683    0.0267762   78  VAL   A O    
2801 C CB   . VAL   B 66  ? 0.349783 0.480053 0.676991 0.0339699   0.106193    0.0692845   78  VAL   A CB   
2802 C CG1  . VAL   B 66  ? 0.365545 0.47919  0.690663 0.0465672   0.102262    0.058405    78  VAL   A CG1  
2803 C CG2  . VAL   B 66  ? 0.356739 0.522023 0.758273 0.0263909   0.101579    0.0978747   78  VAL   A CG2  
2804 H H    . VAL   B 66  ? 0.337089 0.455355 0.60837  0.00633369  0.0986437   0.0681734   78  VAL   A H    
2805 H HA   . VAL   B 66  ? 0.334645 0.427853 0.621972 0.0040297   0.0621396   0.0566904   78  VAL   A HA   
2806 H HB   . VAL   B 66  ? 0.363029 0.497709 0.67192  0.0454938   0.128421    0.0661738   78  VAL   A HB   
2807 H HG11 . VAL   B 66  ? 0.357744 0.46081  0.687053 0.0349499   0.0793538   0.0589654   78  VAL   A HG11 
2808 H HG12 . VAL   B 66  ? 0.376027 0.470299 0.659557 0.0530684   0.10964     0.0414294   78  VAL   A HG12 
2809 H HG13 . VAL   B 66  ? 0.373466 0.505186 0.734621 0.0602312   0.115211    0.0684988   78  VAL   A HG13 
2810 H HG21 . VAL   B 66  ? 0.359438 0.543979 0.793945 0.0412669   0.117503    0.106569    78  VAL   A HG21 
2811 H HG22 . VAL   B 66  ? 0.348631 0.522694 0.751894 0.0196882   0.10769     0.105521    78  VAL   A HG22 
2812 H HG23 . VAL   B 66  ? 0.344926 0.503865 0.759627 0.0135116   0.0762373   0.100362    78  VAL   A HG23 
2813 N N    . PHE   B 67  ? 0.353047 0.405526 0.548577 0.0163724   0.0750055   0.0173312   79  PHE   A N    
2814 C CA   . PHE   B 67  ? 0.342062 0.372394 0.487036 0.0199112   0.0792934   -0.00524098 79  PHE   A CA   
2815 C C    . PHE   B 67  ? 0.363514 0.369039 0.504657 0.020829    0.0690077   -0.0147093  79  PHE   A C    
2816 O O    . PHE   B 67  ? 0.334584 0.33922  0.505621 0.0171095   0.0555025   -0.00285653 79  PHE   A O    
2817 C CB   . PHE   B 67  ? 0.336204 0.358739 0.447192 0.00442754  0.0683386   -0.0119582  79  PHE   A CB   
2818 C CG   . PHE   B 67  ? 0.329997 0.33592  0.435038 -0.0129256  0.0456246   -0.0115363  79  PHE   A CG   
2819 C CD1  . PHE   B 67  ? 0.322542 0.332769 0.451192 -0.0226772  0.0319685   0.00358247  79  PHE   A CD1  
2820 C CD2  . PHE   B 67  ? 0.337554 0.322571 0.414794 -0.0188488  0.0384048   -0.0250255  79  PHE   A CD2  
2821 C CE1  . PHE   B 67  ? 0.354306 0.344781 0.468199 -0.035734   0.0120874   0.00345394  79  PHE   A CE1  
2822 C CE2  . PHE   B 67  ? 0.363812 0.333665 0.43235  -0.0319435  0.0225293   -0.0220935  79  PHE   A CE2  
2823 C CZ   . PHE   B 67  ? 0.309819 0.280477 0.39143  -0.0390371  0.00979535  -0.0088389  79  PHE   A CZ   
2824 H H    . PHE   B 67  ? 0.347727 0.39648  0.561063 0.0112303   0.0612584   0.0225847   79  PHE   A H    
2825 H HA   . PHE   B 67  ? 0.362726 0.398416 0.498464 0.0327778   0.0964313   -0.0093766  79  PHE   A HA   
2826 H HB2  . PHE   B 67  ? 0.344862 0.359825 0.428387 0.00812336  0.0731043   -0.0250458  79  PHE   A HB2  
2827 H HB3  . PHE   B 67  ? 0.329626 0.365503 0.446326 0.00349399  0.0732857   -0.00350894 79  PHE   A HB3  
2828 H HD1  . PHE   B 67  ? 0.325809 0.351415 0.478974 -0.0205934  0.0361419   0.0140836   79  PHE   A HD1  
2829 H HD2  . PHE   B 67  ? 0.352317 0.332974 0.415514 -0.0140184  0.0448028   -0.0358806  79  PHE   A HD2  
2830 H HE1  . PHE   B 67  ? 0.335082 0.324658 0.459647 -0.0425181  0.00042767  0.0119303   79  PHE   A HE1  
2831 H HE2  . PHE   B 67  ? 0.349987 0.30772  0.402178 -0.0362467  0.0201549   -0.0290395  79  PHE   A HE2  
2832 H HZ   . PHE   B 67  ? 0.337081 0.294013 0.405881 -0.046544   -0.00086797 -0.00765423 79  PHE   A HZ   
2833 N N    . SER   B 68  ? 0.376299 0.360815 0.481467 0.0258698   0.0741976   -0.0349554  80  SER   A N    
2834 C CA   . SER   B 68  ? 0.394712 0.349965 0.494407 0.0248765   0.0649121   -0.0439353  80  SER   A CA   
2835 C C    . SER   B 68  ? 0.338451 0.279218 0.414263 0.00405782  0.0481936   -0.0494129  80  SER   A C    
2836 O O    . SER   B 68  ? 0.377418 0.319846 0.426547 -0.00222586 0.0490623   -0.0603559  80  SER   A O    
2837 C CB   . SER   B 68  ? 0.457927 0.392333 0.535498 0.0407424   0.0778284   -0.0629864  80  SER   A CB   
2838 O OG   . SER   B 68  ? 0.51341  0.461976 0.613824 0.0635238   0.0977087   -0.0557777  80  SER   A OG   
2839 H H    . SER   B 68  ? 0.384415 0.371508 0.468444 0.0293568   0.0823371   -0.0426664  80  SER   A H    
2840 H HA   . SER   B 68  ? 0.387301 0.344277 0.513845 0.0272614   0.0603594   -0.032703   80  SER   A HA   
2841 H HB2  . SER   B 68  ? 0.466882 0.400093 0.517343 0.038482    0.0799998   -0.0741365  80  SER   A HB2  
2842 H HB3  . SER   B 68  ? 0.473882 0.385515 0.548719 0.0381263   0.070355    -0.0683408  80  SER   A HB3  
2844 N N    . LEU   B 69  ? 0.340681 0.265848 0.425777 -0.00465849 0.0338262   -0.0412657  81  LEU   A N    
2845 C CA   . LEU   B 69  ? 0.331117 0.246577 0.395311 -0.0230331  0.0220347   -0.0414558  81  LEU   A CA   
2846 C C    . LEU   B 69  ? 0.347764 0.243968 0.389779 -0.0290836  0.0233944   -0.0578029  81  LEU   A C    
2847 O O    . LEU   B 69  ? 0.393469 0.267756 0.436699 -0.0230796  0.0251148   -0.0656487  81  LEU   A O    
2848 C CB   . LEU   B 69  ? 0.400472 0.302566 0.473319 -0.0293877  0.00706318  -0.0264478  81  LEU   A CB   
2849 C CG   . LEU   B 69  ? 0.405148 0.294515 0.451174 -0.0457754  -0.00135758 -0.024138   81  LEU   A CG   
2850 C CD1  . LEU   B 69  ? 0.420521 0.326816 0.457517 -0.0510893  -0.00336202 -0.0207113  81  LEU   A CD1  
2851 C CD2  . LEU   B 69  ? 0.507923 0.374216 0.555389 -0.0476195  -0.014554   -0.0106877  81  LEU   A CD2  
2852 H H    . LEU   B 69  ? 0.348784 0.269549 0.452129 0.00188854  0.0322696   -0.034795   81  LEU   A H    
2853 H HA   . LEU   B 69  ? 0.327421 0.257526 0.385861 -0.0270905  0.0228047   -0.0399586  81  LEU   A HA   
2854 H HB2  . LEU   B 69  ? 0.376487 0.291712 0.465873 -0.0268195  0.00320968  -0.0167006  81  LEU   A HB2  
2855 H HB3  . LEU   B 69  ? 0.401832 0.289123 0.481887 -0.0240816  0.00643886  -0.0263947  81  LEU   A HB3  
2856 H HG   . LEU   B 69  ? 0.427764 0.311045 0.462207 -0.0499936  0.00367291  -0.0331669  81  LEU   A HG   
2857 H HD11 . LEU   B 69  ? 0.398579 0.318126 0.434284 -0.0487667  0.00505485  -0.0279624  81  LEU   A HD11 
2858 H HD12 . LEU   B 69  ? 0.414459 0.311495 0.432888 -0.0588423  -0.00671684 -0.0191145  81  LEU   A HD12 
2859 H HD13 . LEU   B 69  ? 0.406896 0.318752 0.457635 -0.0486467  -0.00984241 -0.0123719  81  LEU   A HD13 
2860 H HD21 . LEU   B 69  ? 0.49407  0.345638 0.544149 -0.0451584  -0.0120544  -0.0136032  81  LEU   A HD21 
2861 H HD22 . LEU   B 69  ? 0.478181 0.351567 0.542839 -0.0421612  -0.021204   -0.00246329 81  LEU   A HD22 
2862 H HD23 . LEU   B 69  ? 0.485117 0.343426 0.513165 -0.056227   -0.0190296  -0.00674792 81  LEU   A HD23 
2863 N N    . GLY   B 70  ? 0.362336 0.266706 0.387408 -0.0410873  0.021691    -0.0619959  82  GLY   A N    
2864 C CA   . GLY   B 70  ? 0.397908 0.288297 0.411397 -0.0534458  0.018441    -0.0716267  82  GLY   A CA   
2865 C C    . GLY   B 70  ? 0.455419 0.345424 0.458286 -0.0502494  0.0208749   -0.0910484  82  GLY   A C    
2866 O O    . GLY   B 70  ? 0.528487 0.399765 0.528502 -0.0606748  0.0151063   -0.100721   82  GLY   A O    
2867 H H    . GLY   B 70  ? 0.34463  0.264578 0.368069 -0.0417461  0.0226275   -0.0579414  82  GLY   A H    
2868 H HA2  . GLY   B 70  ? 0.389724 0.288967 0.398137 -0.0619833  0.0169712   -0.0673486  82  GLY   A HA2  
2869 H HA3  . GLY   B 70  ? 0.415625 0.286242 0.433338 -0.0561373  0.0151133   -0.0684513  82  GLY   A HA3  
2870 N N    . LYS   B 71  ? 0.414117 0.318269 0.411481 -0.0346985  0.029039    -0.095908   83  LYS   A N    
2871 C CA   . LYS   B 71  ? 0.508615 0.408602 0.485452 -0.0270263  0.0313677   -0.114918   83  LYS   A CA   
2872 C C    . LYS   B 71  ? 0.474115 0.401589 0.437267 -0.0297184  0.0301022   -0.116599   83  LYS   A C    
2873 O O    . LYS   B 71  ? 0.565078 0.492491 0.505436 -0.0234322  0.0291667   -0.131061   83  LYS   A O    
2874 C CB   . LYS   B 71  ? 0.449386 0.341435 0.426091 -0.00476526 0.0446633   -0.116946   83  LYS   A CB   
2875 H H    . LYS   B 71  ? 0.422329 0.338403 0.427677 -0.0290518  0.0330158   -0.0862592  83  LYS   A H    
2876 H HA   . LYS   B 71  ? 0.494564 0.376081 0.467298 -0.0345525  0.0244434   -0.124586   83  LYS   A HA   
2879 N N    . GLY   B 72  ? 0.448529 0.395853 0.421331 -0.0386816  0.0282323   -0.103091   84  GLY   A N    
2880 C CA   . GLY   B 72  ? 0.457177 0.429617 0.419978 -0.0386343  0.0275669   -0.102247   84  GLY   A CA   
2881 C C    . GLY   B 72  ? 0.482996 0.468874 0.433889 -0.0219818  0.038253    -0.098601   84  GLY   A C    
2882 O O    . GLY   B 72  ? 0.456821 0.45861  0.392539 -0.0188639  0.0367566   -0.100397   84  GLY   A O    
2883 H H    . GLY   B 72  ? 0.441201 0.384468 0.425282 -0.043879   0.0272094   -0.0939765  84  GLY   A H    
2884 H HA2  . GLY   B 72  ? 0.439249 0.419371 0.410252 -0.0449978  0.0267374   -0.0927998  84  GLY   A HA2  
2885 H HA3  . GLY   B 72  ? 0.469809 0.442537 0.425506 -0.0433489  0.0206088   -0.11246    84  GLY   A HA3  
2886 N N    . GLN   B 73  ? 0.450815 0.431981 0.411919 -0.0113976  0.0490932   -0.0911371  85  GLN   A N    
2887 C CA   . GLN   B 73  ? 0.411088 0.407254 0.373329 0.00229184  0.0632263   -0.0801267  85  GLN   A CA   
2888 C C    . GLN   B 73  ? 0.376665 0.389232 0.350316 -0.00343841 0.0627594   -0.063193   85  GLN   A C    
2889 O O    . GLN   B 73  ? 0.370907 0.3968   0.344062 0.00477773  0.0732401   -0.0523731  85  GLN   A O    
2890 C CB   . GLN   B 73  ? 0.466399 0.458582 0.451485 0.0124414   0.0741692   -0.072428   85  GLN   A CB   
2891 C CG   . GLN   B 73  ? 0.547743 0.522116 0.516775 0.0270807   0.0824421   -0.0879895  85  GLN   A CG   
2892 C CD   . GLN   B 73  ? 0.535582 0.507162 0.534148 0.0393887   0.0939052   -0.0792349  85  GLN   A CD   
2893 O OE1  . GLN   B 73  ? 0.488753 0.478513 0.523552 0.0386544   0.0971329   -0.0592765  85  GLN   A OE1  
2894 N NE2  . GLN   B 73  ? 0.65918  0.606143 0.644341 0.0513203   0.098617    -0.0946308  85  GLN   A NE2  
2895 H H    . GLN   B 73  ? 0.452529 0.421037 0.423956 -0.0131763  0.0477686   -0.0914448  85  GLN   A H    
2896 H HA   . GLN   B 73  ? 0.443553 0.441773 0.384265 0.0103912   0.0671634   -0.0875289  85  GLN   A HA   
2897 H HB2  . GLN   B 73  ? 0.451372 0.438095 0.454488 0.00456504  0.0669991   -0.0672349  85  GLN   A HB2  
2898 H HB3  . GLN   B 73  ? 0.456614 0.46292  0.450868 0.017992    0.0831778   -0.0608693  85  GLN   A HB3  
2899 H HG2  . GLN   B 73  ? 0.550088 0.528735 0.497209 0.0367419   0.0904862   -0.0924577  85  GLN   A HG2  
2900 H HG3  . GLN   B 73  ? 0.542857 0.501165 0.501744 0.0200437   0.0721907   -0.100168   85  GLN   A HG3  
2901 H HE21 . GLN   B 73  ? 0.635167 0.580319 0.637492 0.0614145   0.106804    -0.0899552  85  GLN   A HE21 
2902 H HE22 . GLN   B 73  ? 0.647659 0.579004 0.607416 0.0494777   0.0930735   -0.109734   85  GLN   A HE22 
2903 N N    . VAL   B 74  ? 0.324908 0.332702 0.305618 -0.0172261  0.05138     -0.0610715  86  VAL   A N    
2904 C CA   . VAL   B 74  ? 0.308543 0.322211 0.293785 -0.0227812  0.0487945   -0.0488126  86  VAL   A CA   
2905 C C    . VAL   B 74  ? 0.290149 0.303539 0.264298 -0.0311006  0.0412206   -0.0549841  86  VAL   A C    
2906 O O    . VAL   B 74  ? 0.317659 0.32696  0.289168 -0.0359987  0.0367028   -0.0657855  86  VAL   A O    
2907 C CB   . VAL   B 74  ? 0.302729 0.306836 0.30858  -0.0292397  0.043544    -0.0372345  86  VAL   A CB   
2908 C CG1  . VAL   B 74  ? 0.318802 0.331586 0.348499 -0.0218257  0.0512761   -0.0261996  86  VAL   A CG1  
2909 C CG2  . VAL   B 74  ? 0.336588 0.324011 0.345233 -0.0364451  0.0351508   -0.0420606  86  VAL   A CG2  
2910 H H    . VAL   B 74  ? 0.33754  0.335573 0.318675 -0.0228886  0.0457447   -0.0673117  86  VAL   A H    
2911 H HA   . VAL   B 74  ? 0.307595 0.330511 0.288911 -0.0167077  0.0546894   -0.0440035  86  VAL   A HA   
2912 H HB   . VAL   B 74  ? 0.30538  0.307639 0.307543 -0.0336507  0.0399006   -0.0323698  86  VAL   A HB   
2913 H HG11 . VAL   B 74  ? 0.322498 0.336048 0.353928 -0.0148404  0.0571293   -0.0312545  86  VAL   A HG11 
2914 H HG12 . VAL   B 74  ? 0.314031 0.336013 0.342177 -0.0182551  0.0575589   -0.02073    86  VAL   A HG12 
2915 H HG13 . VAL   B 74  ? 0.310724 0.318792 0.356115 -0.0272394  0.0442224   -0.0187551  86  VAL   A HG13 
2916 H HG21 . VAL   B 74  ? 0.325899 0.306857 0.344177 -0.0400216  0.0294583   -0.0342482  86  VAL   A HG21 
2917 H HG22 . VAL   B 74  ? 0.327361 0.311481 0.324508 -0.0418227  0.0322703   -0.0467676  86  VAL   A HG22 
2918 H HG23 . VAL   B 74  ? 0.33503  0.320541 0.347139 -0.0316662  0.0383631   -0.0473895  86  VAL   A HG23 
2919 N N    . ILE   B 75  ? 0.315761 0.332245 0.286327 -0.0326476  0.0405377   -0.0476412  87  ILE   A N    
2920 C CA   . ILE   B 75  ? 0.302005 0.321581 0.266818 -0.0379267  0.0372899   -0.0508353  87  ILE   A CA   
2921 C C    . ILE   B 75  ? 0.303145 0.308307 0.272091 -0.0484159  0.0336167   -0.0522923  87  ILE   A C    
2922 O O    . ILE   B 75  ? 0.310831 0.300123 0.283912 -0.0511978  0.0308551   -0.0483819  87  ILE   A O    
2923 C CB   . ILE   B 75  ? 0.302818 0.32214  0.26062  -0.0340556  0.0396984   -0.0422812  87  ILE   A CB   
2924 C CG1  . ILE   B 75  ? 0.301535 0.2997   0.2595   -0.0374966  0.0371855   -0.0340855  87  ILE   A CG1  
2925 C CG2  . ILE   B 75  ? 0.305258 0.340887 0.257312 -0.0231288  0.0432234   -0.0398738  87  ILE   A CG2  
2926 C CD1  . ILE   B 75  ? 0.332282 0.318803 0.276168 -0.0345992  0.0380975   -0.029508   87  ILE   A CD1  
2927 H H    . ILE   B 75  ? 0.303092 0.319649 0.275992 -0.0298843  0.0429832   -0.0400288  87  ILE   A H    
2928 H HA   . ILE   B 75  ? 0.307231 0.338235 0.269638 -0.0361228  0.0363659   -0.0570982  87  ILE   A HA   
2929 H HB   . ILE   B 75  ? 0.302402 0.323535 0.258205 -0.0362938  0.0397821   -0.0437158  87  ILE   A HB   
2930 H HG12 . ILE   B 75  ? 0.306005 0.30584  0.271377 -0.0353361  0.0380909   -0.0300289  87  ILE   A HG12 
2931 H HG13 . ILE   B 75  ? 0.308954 0.297305 0.268247 -0.0433493  0.0335234   -0.0353277  87  ILE   A HG13 
2932 H HG21 . ILE   B 75  ? 0.307035 0.340769 0.255089 -0.019998   0.0446464   -0.0348471  87  ILE   A HG21 
2933 H HG22 . ILE   B 75  ? 0.307157 0.341369 0.260361 -0.0201186  0.0459257   -0.0364017  87  ILE   A HG22 
2934 H HG23 . ILE   B 75  ? 0.306991 0.355268 0.257721 -0.0218423  0.0411867   -0.0461029  87  ILE   A HG23 
2935 H HD11 . ILE   B 75  ? 0.327948 0.316915 0.265877 -0.0342197  0.0404552   -0.032606   87  ILE   A HD11 
2936 H HD12 . ILE   B 75  ? 0.333638 0.302264 0.274211 -0.0385948  0.033296    -0.0263677  87  ILE   A HD12 
2937 H HD13 . ILE   B 75  ? 0.32597  0.319136 0.269755 -0.028533   0.04111     -0.0262722  87  ILE   A HD13 
2938 N N    . LYS   B 76  ? 0.323339 0.336308 0.294089 -0.0542007  0.0334651   -0.0561208  88  LYS   A N    
2939 C CA   . LYS   B 76  ? 0.283832 0.284161 0.259206 -0.0651435  0.0325927   -0.0555255  88  LYS   A CA   
2940 C C    . LYS   B 76  ? 0.318941 0.298191 0.281566 -0.0661948  0.0337254   -0.0457977  88  LYS   A C    
2941 O O    . LYS   B 76  ? 0.318241 0.278261 0.27923  -0.0713731  0.0300951   -0.0424997  88  LYS   A O    
2942 C CB   . LYS   B 76  ? 0.330906 0.350371 0.317892 -0.0714374  0.0342148   -0.0578264  88  LYS   A CB   
2943 H H    . LYS   B 76  ? 0.305704 0.333344 0.276839 -0.0513181  0.034197    -0.0575581  88  LYS   A H    
2944 H HA   . LYS   B 76  ? 0.310111 0.302514 0.289878 -0.0672016  0.0292667   -0.0598062  88  LYS   A HA   
2947 N N    . ALA   B 77  ? 0.34035  0.318326 0.289904 -0.0600544  0.036615    -0.0412562  89  ALA   A N    
2948 C CA   . ALA   B 77  ? 0.365679 0.31738  0.29403  -0.0604664  0.0342297   -0.0347583  89  ALA   A CA   
2949 C C    . ALA   B 77  ? 0.342098 0.276797 0.273493 -0.0632846  0.0221989   -0.031515   89  ALA   A C    
2950 O O    . ALA   B 77  ? 0.370297 0.282503 0.287837 -0.0671788  0.0149433   -0.0266739  89  ALA   A O    
2951 C CB   . ALA   B 77  ? 0.391511 0.33816  0.303406 -0.0524003  0.0374167   -0.0332556  89  ALA   A CB   
2952 H H    . ALA   B 77  ? 0.330753 0.322044 0.282183 -0.0550322  0.0390911   -0.0426559  89  ALA   A H    
2953 H HA   . ALA   B 77  ? 0.373081 0.318463 0.294257 -0.0640552  0.0379362   -0.0326253  89  ALA   A HA   
2954 H HB1  . ALA   B 77  ? 0.388269 0.343083 0.296982 -0.0492493  0.0458096   -0.0334653  89  ALA   A HB1  
2955 H HB2  . ALA   B 77  ? 0.375327 0.330975 0.296096 -0.0489685  0.035946    -0.0339253  89  ALA   A HB2  
2956 H HB3  . ALA   B 77  ? 0.401354 0.326202 0.296715 -0.0533133  0.0324492   -0.0309407  89  ALA   A HB3  
2957 N N    . TRP   B 78  ? 0.320253 0.268112 0.271869 -0.0600799  0.0202134   -0.0328828  90  TRP   A N    
2958 C CA   . TRP   B 78  ? 0.326776 0.266485 0.292992 -0.061377   0.0107615   -0.0276529  90  TRP   A CA   
2959 C C    . TRP   B 78  ? 0.330893 0.263892 0.305799 -0.0638777  0.00842169  -0.0284752  90  TRP   A C    
2960 O O    . TRP   B 78  ? 0.368805 0.287213 0.347468 -0.0659036  -0.00215627 -0.0213728  90  TRP   A O    
2961 C CB   . TRP   B 78  ? 0.31256  0.269843 0.29985  -0.0552056  0.0142453   -0.0256259  90  TRP   A CB   
2962 C CG   . TRP   B 78  ? 0.323146 0.277888 0.312255 -0.0556162  0.0104624   -0.0181845  90  TRP   A CG   
2963 C CD1  . TRP   B 78  ? 0.316585 0.261501 0.285382 -0.055681   0.010612    -0.0184186  90  TRP   A CD1  
2964 C CD2  . TRP   B 78  ? 0.298863 0.259053 0.315996 -0.0565267  0.00552358  -0.00797187 90  TRP   A CD2  
2965 N NE1  . TRP   B 78  ? 0.335811 0.272917 0.314065 -0.0586358  0.00338289  -0.0103883  90  TRP   A NE1  
2966 C CE2  . TRP   B 78  ? 0.289127 0.238632 0.300654 -0.0605556  -4.032e-05  -0.00273214 90  TRP   A CE2  
2967 C CE3  . TRP   B 78  ? 0.304674 0.27749  0.354214 -0.0538753  0.00571739  -0.00184829 90  TRP   A CE3  
2968 C CZ2  . TRP   B 78  ? 0.331304 0.284419 0.372606 -0.0654122  -0.00682483 0.00929838  90  TRP   A CZ2  
2969 C CZ3  . TRP   B 78  ? 0.332848 0.314216 0.414196 -0.0565784  0.00100593  0.0112649   90  TRP   A CZ3  
2970 C CH2  . TRP   B 78  ? 0.331738 0.303711 0.410661 -0.0641909  -0.00645204 0.0171758   90  TRP   A CH2  
2971 H H    . TRP   B 78  ? 0.314252 0.276818 0.270942 -0.0562091  0.0251239   -0.0359647  90  TRP   A H    
2972 H HA   . TRP   B 78  ? 0.337091 0.262087 0.293603 -0.0641076  0.00299141  -0.0230558  90  TRP   A HA   
2973 H HB2  . TRP   B 78  ? 0.308582 0.27834  0.294734 -0.0511869  0.0220327   -0.0309709  90  TRP   A HB2  
2974 H HB3  . TRP   B 78  ? 0.314216 0.27293  0.317238 -0.0540805  0.0123391   -0.0235178  90  TRP   A HB3  
2975 H HD1  . TRP   B 78  ? 0.325801 0.267817 0.277807 -0.0542458  0.0145844   -0.0228675  90  TRP   A HD1  
2976 H HE1  . TRP   B 78  ? 0.333056 0.259868 0.300597 -0.0587645  0.00209093  -0.0097437  90  TRP   A HE1  
2977 H HE3  . TRP   B 78  ? 0.307037 0.282256 0.358526 -0.0502009  0.00926546  -0.00609857 90  TRP   A HE3  
2978 H HZ2  . TRP   B 78  ? 0.333919 0.276132 0.371917 -0.0695903  -0.0119513  0.01254     90  TRP   A HZ2  
2979 H HZ3  . TRP   B 78  ? 0.32041  0.313776 0.42791  -0.0533278  0.00294217  0.0168972   90  TRP   A HZ3  
2980 H HH2  . TRP   B 78  ? 0.332401 0.311301 0.438066 -0.067891   -0.0101542  0.0272754   90  TRP   A HH2  
2981 N N    . ASP   B 79  ? 0.31936  0.261162 0.298828 -0.0635786  0.0158691   -0.0368712  91  ASP   A N    
2982 C CA   . ASP   B 79  ? 0.322801 0.25175  0.3091   -0.066592   0.0139553   -0.0386513  91  ASP   A CA   
2983 C C    . ASP   B 79  ? 0.370211 0.278332 0.340647 -0.0744094  0.00986374  -0.0300942  91  ASP   A C    
2984 O O    . ASP   B 79  ? 0.389362 0.278856 0.362196 -0.0753143  0.00279658  -0.0235397  91  ASP   A O    
2985 C CB   . ASP   B 79  ? 0.343564 0.280226 0.334162 -0.0675808  0.0192949   -0.0509146  91  ASP   A CB   
2986 C CG   . ASP   B 79  ? 0.329382 0.273964 0.328074 -0.0568014  0.0226437   -0.0599857  91  ASP   A CG   
2987 O OD1  . ASP   B 79  ? 0.316965 0.261162 0.32651  -0.0486912  0.0232614   -0.0540291  91  ASP   A OD1  
2988 O OD2  . ASP   B 79  ? 0.366659 0.316906 0.36029  -0.0571327  0.0240615   -0.0721944  91  ASP   A OD2  
2989 H H    . ASP   B 79  ? 0.312555 0.266974 0.290667 -0.0616273  0.0209699   -0.0416591  91  ASP   A H    
2990 H HA   . ASP   B 79  ? 0.334424 0.260697 0.332421 -0.0620504  0.0109067   -0.0362451  91  ASP   A HA   
2991 H HB2  . ASP   B 79  ? 0.33001  0.278129 0.315322 -0.0699187  0.022184    -0.0531584  91  ASP   A HB2  
2992 H HB3  . ASP   B 79  ? 0.347744 0.27139  0.339787 -0.0729265  0.0176914   -0.051051   91  ASP   A HB3  
2993 N N    . ILE   B 80  ? 0.392148 0.303022 0.344614 -0.0779479  0.0158871   -0.0288828  92  ILE   A N    
2994 C CA   . ILE   B 80  ? 0.400448 0.290608 0.329142 -0.0827435  0.0165767   -0.0195666  92  ILE   A CA   
2995 C C    . ILE   B 80  ? 0.398511 0.266494 0.305314 -0.0802533  0.0036495   -0.0119204  92  ILE   A C    
2996 O O    . ILE   B 80  ? 0.445577 0.2911   0.340103 -0.0824856  -0.00447132 -0.00321144 92  ILE   A O    
2997 C CB   . ILE   B 80  ? 0.425807 0.326853 0.341752 -0.0834359  0.0306099   -0.0195967  92  ILE   A CB   
2998 C CG1  . ILE   B 80  ? 0.412259 0.335085 0.354226 -0.0899914  0.0390133   -0.0243165  92  ILE   A CG1  
2999 C CG2  . ILE   B 80  ? 0.483702 0.360209 0.365047 -0.0843741  0.0353819   -0.00885082 92  ILE   A CG2  
3000 C CD1  . ILE   B 80  ? 0.43413  0.381288 0.377987 -0.0870328  0.0509305   -0.0249818  92  ILE   A CD1  
3001 H H    . ILE   B 80  ? 0.372472 0.298063 0.326349 -0.0759427  0.0207154   -0.0332329  92  ILE   A H    
3002 H HA   . ILE   B 80  ? 0.412699 0.294601 0.346747 -0.0869644  0.0167049   -0.017165   92  ILE   A HA   
3003 H HB   . ILE   B 80  ? 0.415852 0.325319 0.329004 -0.0782295  0.0309944   -0.0230187  92  ILE   A HB   
3004 H HG12 . ILE   B 80  ? 0.433427 0.346058 0.3764   -0.0964767  0.0411817   -0.0190498  92  ILE   A HG12 
3005 H HG13 . ILE   B 80  ? 0.406546 0.336938 0.363505 -0.0892589  0.0339143   -0.0315491  92  ILE   A HG13 
3006 H HG21 . ILE   B 80  ? 0.479965 0.365932 0.360247 -0.0849461  0.047958    -0.00722253 92  ILE   A HG21 
3007 H HG22 . ILE   B 80  ? 0.489466 0.35193  0.369413 -0.0884158  0.0314768   -0.0033263  92  ILE   A HG22 
3008 H HG23 . ILE   B 80  ? 0.486112 0.350542 0.347026 -0.0797583  0.029833    -0.00863531 92  ILE   A HG23 
3009 H HD11 . ILE   B 80  ? 0.415005 0.368172 0.354759 -0.0799012  0.0488245   -0.0287562  92  ILE   A HD11 
3010 H HD12 . ILE   B 80  ? 0.418088 0.382078 0.382679 -0.0920271  0.0525411   -0.0281965  92  ILE   A HD12 
3011 H HD13 . ILE   B 80  ? 0.441494 0.380999 0.370377 -0.0866484  0.0590456   -0.0177763  92  ILE   A HD13 
3012 N N    . GLY   B 81  ? 0.393518 0.265881 0.297098 -0.0761911  -0.00152937 -0.0145263  93  GLY   A N    
3013 C CA   . GLY   B 81  ? 0.412496 0.261086 0.2923   -0.0763548  -0.0172263  -0.00943358 93  GLY   A CA   
3014 C C    . GLY   B 81  ? 0.438707 0.28473  0.34196  -0.0775095  -0.0358034  -0.0030468  93  GLY   A C    
3015 O O    . GLY   B 81  ? 0.451437 0.274569 0.336053 -0.0795652  -0.0516413  0.00423119  93  GLY   A O    
3016 H H    . GLY   B 81  ? 0.374023 0.262895 0.289794 -0.0737703  0.00362485  -0.0194901  93  GLY   A H    
3017 H HA2  . GLY   B 81  ? 0.444874 0.275601 0.296591 -0.0771792  -0.0161743  -0.00627347 93  GLY   A HA2  
3018 H HA3  . GLY   B 81  ? 0.416481 0.267308 0.291936 -0.0744321  -0.0171404  -0.0127786  93  GLY   A HA3  
3019 N N    . VAL   B 82  ? 0.403687 0.274785 0.348418 -0.0744285  -0.03302    -0.00482616 94  VAL   A N    
3020 C CA   . VAL   B 82  ? 0.398061 0.273197 0.374183 -0.0728241  -0.0471832  0.00325402  94  VAL   A CA   
3021 C C    . VAL   B 82  ? 0.428043 0.287883 0.403109 -0.0717701  -0.0519589  0.00921936  94  VAL   A C    
3022 O O    . VAL   B 82  ? 0.457795 0.309704 0.44387  -0.0709477  -0.0705396  0.0196642   94  VAL   A O    
3023 C CB   . VAL   B 82  ? 0.408224 0.313187 0.425582 -0.0667108  -0.0377059  0.00175751  94  VAL   A CB   
3024 C CG1  . VAL   B 82  ? 0.467165 0.382085 0.525582 -0.062014   -0.0474516  0.0121847   94  VAL   A CG1  
3025 C CG2  . VAL   B 82  ? 0.397824 0.311161 0.414702 -0.0690358  -0.0369107  0.00115083  94  VAL   A CG2  
3026 H H    . VAL   B 82  ? 0.387248 0.273265 0.339986 -0.0722823  -0.0217534  -0.0104202  94  VAL   A H    
3027 H HA   . VAL   B 82  ? 0.421504 0.287402 0.390998 -0.0760706  -0.0612717  0.00758809  94  VAL   A HA   
3028 H HB   . VAL   B 82  ? 0.400786 0.312408 0.418015 -0.0633675  -0.0246152  -0.00499181 94  VAL   A HB   
3029 H HG11 . VAL   B 82  ? 0.462337 0.367782 0.519376 -0.066518   -0.0643726  0.0192388   94  VAL   A HG11 
3030 H HG12 . VAL   B 82  ? 0.45144  0.362783 0.513925 -0.0575235  -0.0434007  0.0112186   94  VAL   A HG12 
3031 H HG13 . VAL   B 82  ? 0.433904 0.367841 0.516359 -0.0584134  -0.0407861  0.013465    94  VAL   A HG13 
3032 H HG21 . VAL   B 82  ? 0.384399 0.316333 0.425518 -0.0648234  -0.0293116  0.00231969  94  VAL   A HG21 
3033 H HG22 . VAL   B 82  ? 0.398053 0.307245 0.392075 -0.0695485  -0.0292995  -0.0050657  94  VAL   A HG22 
3034 H HG23 . VAL   B 82  ? 0.411396 0.314625 0.42651  -0.0738905  -0.0516924  0.00644041  94  VAL   A HG23 
3035 N N    . ALA   B 83  ? 0.417036 0.27183  0.380493 -0.0726101  -0.037065   0.00412583  95  ALA   A N    
3036 C CA   . ALA   B 83  ? 0.450666 0.2857   0.411174 -0.0728719  -0.0395316  0.0108943   95  ALA   A CA   
3037 C C    . ALA   B 83  ? 0.540379 0.34709  0.464551 -0.0762871  -0.0538298  0.0230569   95  ALA   A C    
3038 O O    . ALA   B 83  ? 0.556488 0.344907 0.480235 -0.0746462  -0.0617666  0.0334854   95  ALA   A O    
3039 C CB   . ALA   B 83  ? 0.478698 0.312203 0.43705  -0.0768658  -0.0222937  0.00387396  95  ALA   A CB   
3040 H H    . ALA   B 83  ? 0.411053 0.274945 0.370498 -0.0735045  -0.025842   -0.00292827 95  ALA   A H    
3041 H HA   . ALA   B 83  ? 0.459135 0.298488 0.444877 -0.0674302  -0.0445465  0.0134833   95  ALA   A HA   
3042 H HB1  . ALA   B 83  ? 0.452579 0.30043  0.429592 -0.0739594  -0.0160596  -0.00469166 95  ALA   A HB1  
3043 H HB2  . ALA   B 83  ? 0.471647 0.305483 0.411166 -0.0814218  -0.0157487  0.00264104  95  ALA   A HB2  
3044 H HB3  . ALA   B 83  ? 0.487975 0.305066 0.445516 -0.0776943  -0.0244085  0.00971749  95  ALA   A HB3  
3045 N N    . THR   B 84  ? 0.496814 0.295683 0.386344 -0.0793113  -0.0572228  0.0217749   96  THR   A N    
3046 C CA   . THR   B 84  ? 0.54677  0.313098 0.388951 -0.08066    -0.0714533  0.0313835   96  THR   A CA   
3047 C C    . THR   B 84  ? 0.567198 0.326411 0.412923 -0.0803278  -0.102304   0.0368967   96  THR   A C    
3048 O O    . THR   B 84  ? 0.619746 0.348929 0.423445 -0.0808323  -0.120371   0.0448176   96  THR   A O    
3049 C CB   . THR   B 84  ? 0.575349 0.329631 0.370037 -0.0815761  -0.0588478  0.0258962   96  THR   A CB   
3050 O OG1  . THR   B 84  ? 0.564615 0.325454 0.359794 -0.0812168  -0.0661155  0.016545    96  THR   A OG1  
3051 C CG2  . THR   B 84  ? 0.581367 0.349215 0.381068 -0.0830431  -0.0298653  0.0229793   96  THR   A CG2  
3052 H H    . THR   B 84  ? 0.492868 0.304102 0.384439 -0.0795454  -0.0503745  0.0144862   96  THR   A H    
3053 H HA   . THR   B 84  ? 0.565779 0.320004 0.401899 -0.0806029  -0.0694585  0.0389026   96  THR   A HA   
3054 H HB   . THR   B 84  ? 0.615835 0.345107 0.373439 -0.0810451  -0.0659423  0.0325601   96  THR   A HB   
3056 H HG21 . THR   B 84  ? 0.592196 0.351915 0.361762 -0.0817611  -0.0206035  0.0222737   96  THR   A HG21 
3057 H HG22 . THR   B 84  ? 0.541472 0.332068 0.371024 -0.0831451  -0.0237917  0.0153778   96  THR   A HG22 
3058 H HG23 . THR   B 84  ? 0.583823 0.345275 0.387536 -0.084982   -0.0269142  0.0300498   96  THR   A HG23 
3059 N N    . MET   B 85  ? 0.525949 0.311838 0.421593 -0.0795076  -0.109723   0.0349721   97  MET   A N    
3060 C CA   . MET   B 85  ? 0.539924 0.325579 0.447985 -0.0827149  -0.138967   0.0399668   97  MET   A CA   
3061 C C    . MET   B 85  ? 0.605267 0.398943 0.553443 -0.0784122  -0.158476   0.05431     97  MET   A C    
3062 O O    . MET   B 85  ? 0.570081 0.378733 0.552615 -0.0708839  -0.14432    0.0569858   97  MET   A O    
3063 C CB   . MET   B 85  ? 0.528619 0.340628 0.472346 -0.0856567  -0.135454   0.0334172   97  MET   A CB   
3064 C CG   . MET   B 85  ? 0.506693 0.31143  0.415423 -0.0874608  -0.117588   0.0205019   97  MET   A CG   
3065 S SD   . MET   B 85  ? 0.496514 0.328077 0.445822 -0.0903137  -0.112928   0.0165016   97  MET   A SD   
3066 C CE   . MET   B 85  ? 0.51603  0.335185 0.479379 -0.101254   -0.152495   0.0248347   97  MET   A CE   
3067 H H    . MET   B 85  ? 0.500395 0.305601 0.42439  -0.077171   -0.0962601  0.0309904   97  MET   A H    
3068 H HA   . MET   B 85  ? 0.587868 0.34847  0.453753 -0.0856679  -0.150595   0.0398567   97  MET   A HA   
3069 H HB2  . MET   B 85  ? 0.490716 0.326514 0.472633 -0.0813905  -0.123804   0.0341715   97  MET   A HB2  
3070 H HB3  . MET   B 85  ? 0.532251 0.342558 0.48643  -0.0900043  -0.156906   0.0381025   97  MET   A HB3  
3071 H HG2  . MET   B 85  ? 0.5479   0.326722 0.416082 -0.0898397  -0.127365   0.0189108   97  MET   A HG2  
3072 H HG3  . MET   B 85  ? 0.502671 0.312104 0.405192 -0.0840085  -0.098141   0.0167588   97  MET   A HG3  
3073 H HE1  . MET   B 85  ? 0.505719 0.336964 0.49323  -0.104787   -0.151297   0.0250621   97  MET   A HE1  
3074 H HE2  . MET   B 85  ? 0.517517 0.347132 0.508309 -0.100681   -0.163522   0.0336072   97  MET   A HE2  
3075 H HE3  . MET   B 85  ? 0.55348  0.342688 0.473425 -0.104198   -0.16481    0.0208951   97  MET   A HE3  
3076 N N    . LYS   B 86  ? 0.594302 0.371564 0.529625 -0.0823596  -0.192955   0.0632269   98  LYS   A N    
3077 C CA   . LYS   B 86  ? 0.6281   0.418431 0.60956  -0.0783741  -0.218113   0.0789818   98  LYS   A CA   
3078 C C    . LYS   B 86  ? 0.550663 0.379249 0.600451 -0.0821192  -0.227806   0.0817382   98  LYS   A C    
3079 O O    . LYS   B 86  ? 0.625407 0.458828 0.674627 -0.0913782  -0.227436   0.0733692   98  LYS   A O    
3080 C CB   . LYS   B 86  ? 0.701876 0.45648  0.63471  -0.0813202  -0.254063   0.0883574   98  LYS   A CB   
3081 C CG   . LYS   B 86  ? 0.805431 0.521476 0.670871 -0.0767067  -0.244524   0.0915176   98  LYS   A CG   
3082 C CD   . LYS   B 86  ? 0.98797  0.670595 0.805903 -0.0789529  -0.286496   0.101457    98  LYS   A CD   
3083 C CE   . LYS   B 86  ? 1.11634  0.75468  0.855759 -0.0740422  -0.282206   0.108682    98  LYS   A CE   
3084 N NZ   . LYS   B 86  ? 1.13205  0.7574   0.824404 -0.0761761  -0.24654    0.0941471   98  LYS   A NZ   
3085 H H    . LYS   B 86  ? 0.636795 0.393477 0.532611 -0.0871332  -0.201918   0.0591845   98  LYS   A H    
3086 H HA   . LYS   B 86  ? 0.60425  0.401096 0.604178 -0.0704499  -0.204844   0.0828708   98  LYS   A HA   
3087 H HB2  . LYS   B 86  ? 0.73079  0.474455 0.640744 -0.0890871  -0.267536   0.0822736   98  LYS   A HB2  
3088 H HB3  . LYS   B 86  ? 0.718611 0.485423 0.687608 -0.0785998  -0.273667   0.0999114   98  LYS   A HB3  
3089 H HG2  . LYS   B 86  ? 0.801269 0.523531 0.688514 -0.0699738  -0.233713   0.0982635   98  LYS   A HG2  
3090 H HG3  . LYS   B 86  ? 0.811642 0.517519 0.643297 -0.0790415  -0.224964   0.0814191   98  LYS   A HG3  
3091 H HD2  . LYS   B 86  ? 0.983989 0.659398 0.783841 -0.086095   -0.299127   0.0930639   98  LYS   A HD2  
3092 H HD3  . LYS   B 86  ? 0.970428 0.667613 0.828795 -0.0764979  -0.306977   0.112443    98  LYS   A HD3  
3093 H HE2  . LYS   B 86  ? 1.1521   0.767058 0.854055 -0.0752036  -0.310089   0.113161    98  LYS   A HE2  
3094 H HE3  . LYS   B 86  ? 1.09913  0.740335 0.856059 -0.0678547  -0.274069   0.118981    98  LYS   A HE3  
3095 H HZ1  . LYS   B 86  ? 1.10931  0.740314 0.803065 -0.0807522  -0.247926   0.0831041   98  LYS   A HZ1  
3096 H HZ2  . LYS   B 86  ? 1.08937  0.729424 0.805801 -0.0742708  -0.221933   0.0934098   98  LYS   A HZ2  
3097 H HZ3  . LYS   B 86  ? 1.16819  0.763999 0.804652 -0.0742854  -0.247343   0.0975678   98  LYS   A HZ3  
3098 N N    . LYS   B 87  ? 0.561869 0.417364 0.674204 -0.0742401  -0.237167   0.0962836   99  LYS   A N    
3099 C CA   . LYS   B 87  ? 0.520253 0.416828 0.707106 -0.0772072  -0.246758   0.104797    99  LYS   A CA   
3100 C C    . LYS   B 87  ? 0.584788 0.469845 0.762248 -0.094675   -0.287253   0.107254    99  LYS   A C    
3101 O O    . LYS   B 87  ? 0.595802 0.450964 0.734091 -0.0981739  -0.320542   0.111667    99  LYS   A O    
3102 C CB   . LYS   B 87  ? 0.5559   0.480422 0.808695 -0.0628934  -0.252754   0.122893    99  LYS   A CB   
3103 C CG   . LYS   B 87  ? 0.583241 0.558788 0.924512 -0.0642885  -0.256176   0.135147    99  LYS   A CG   
3104 C CD   . LYS   B 87  ? 0.655868 0.668566 1.07285  -0.0443214  -0.24703    0.151852    99  LYS   A CD   
3105 C CE   . LYS   B 87  ? 0.675381 0.741561 1.18505  -0.0475834  -0.255703   0.169546    99  LYS   A CE   
3106 N NZ   . LYS   B 87  ? 0.658881 0.758815 1.24106  -0.0260578  -0.25371    0.189028    99  LYS   A NZ   
3107 H H    . LYS   B 87  ? 0.563097 0.411747 0.674091 -0.0662821  -0.236578   0.102322    99  LYS   A H    
3108 H HA   . LYS   B 87  ? 0.507765 0.420696 0.709116 -0.0765898  -0.222649   0.0977864   99  LYS   A HA   
3109 H HB2  . LYS   B 87  ? 0.543992 0.468867 0.796973 -0.051508   -0.228221   0.119541    99  LYS   A HB2  
3110 H HB3  . LYS   B 87  ? 0.588449 0.497351 0.827769 -0.0631594  -0.278658   0.131229    99  LYS   A HB3  
3111 H HG2  . LYS   B 87  ? 0.606214 0.580727 0.953871 -0.0761621  -0.28654    0.140966    99  LYS   A HG2  
3112 H HG3  . LYS   B 87  ? 0.562197 0.547732 0.905935 -0.0670204  -0.234193   0.126953    99  LYS   A HG3  
3113 H HD2  . LYS   B 87  ? 0.624547 0.638922 1.03791  -0.0329489  -0.215626   0.14434     99  LYS   A HD2  
3114 H HD3  . LYS   B 87  ? 0.666729 0.665952 1.07625  -0.0391586  -0.265809   0.159529    99  LYS   A HD3  
3115 H HE2  . LYS   B 87  ? 0.679386 0.742247 1.19038  -0.0627123  -0.28731    0.174178    99  LYS   A HE2  
3116 H HE3  . LYS   B 87  ? 0.637991 0.719909 1.16004  -0.0484774  -0.230834   0.164478    99  LYS   A HE3  
3117 H HZ1  . LYS   B 87  ? 0.687569 0.774177 1.26126  -0.0251582  -0.279083   0.195699    99  LYS   A HZ1  
3118 H HZ2  . LYS   B 87  ? 0.653412 0.751065 1.22949  -0.011393   -0.225246   0.18318     99  LYS   A HZ2  
3119 H HZ3  . LYS   B 87  ? 0.652612 0.78856  1.29487  -0.0275286  -0.255475   0.20091     99  LYS   A HZ3  
3120 N N    . GLY   B 88  ? 0.599682 0.502264 0.804933 -0.10598    -0.284301   0.103323    100 GLY   A N    
3121 C CA   . GLY   B 88  ? 0.659249 0.545009 0.855598 -0.125119   -0.323257   0.102944    100 GLY   A CA   
3122 C C    . GLY   B 88  ? 0.675987 0.512307 0.784492 -0.132717   -0.320629   0.0825944   100 GLY   A C    
3123 O O    . GLY   B 88  ? 0.7504   0.566782 0.846578 -0.148278   -0.346442   0.0775299   100 GLY   A O    
3124 H H    . GLY   B 88  ? 0.563273 0.486336 0.792105 -0.10189    -0.258039   0.10086     100 GLY   A H    
3125 H HA2  . GLY   B 88  ? 0.630767 0.544881 0.881585 -0.13114    -0.32259    0.109072    100 GLY   A HA2  
3126 H HA3  . GLY   B 88  ? 0.679826 0.558197 0.876484 -0.126945   -0.35386    0.111085    100 GLY   A HA3  
3127 N N    . GLU   B 89  ? 0.62746  0.443888 0.67882  -0.121676   -0.289475   0.0714002   101 GLU   A N    
3128 C CA   . GLU   B 89  ? 0.63498  0.407801 0.604489 -0.124009   -0.281422   0.0540646   101 GLU   A CA   
3129 C C    . GLU   B 89  ? 0.603245 0.386189 0.588753 -0.12967    -0.262058   0.0447991   101 GLU   A C    
3130 O O    . GLU   B 89  ? 0.574272 0.397388 0.615139 -0.125497   -0.235844   0.0490442   101 GLU   A O    
3131 C CB   . GLU   B 89  ? 0.66118  0.419102 0.580682 -0.111172   -0.252103   0.0493477   101 GLU   A CB   
3132 C CG   . GLU   B 89  ? 0.669524 0.38834  0.509047 -0.109921   -0.237134   0.0340693   101 GLU   A CG   
3133 C CD   . GLU   B 89  ? 0.695908 0.406271 0.498951 -0.0994553  -0.209249   0.0344866   101 GLU   A CD   
3134 O OE1  . GLU   B 89  ? 0.670961 0.376929 0.471389 -0.0948339  -0.215563   0.0461903   101 GLU   A OE1  
3135 O OE2  . GLU   B 89  ? 0.691431 0.397091 0.4668   -0.0962489  -0.181225   0.0237488   101 GLU   A OE2  
3136 H H    . GLU   B 89  ? 0.611076 0.442138 0.677194 -0.11189    -0.271824   0.0750948   101 GLU   A H    
3137 H HA   . GLU   B 89  ? 0.689165 0.433251 0.624902 -0.130367   -0.310004   0.0526718   101 GLU   A HA   
3138 H HB2  . GLU   B 89  ? 0.671759 0.420685 0.581415 -0.108089   -0.26587    0.0572421   101 GLU   A HB2  
3139 H HB3  . GLU   B 89  ? 0.60966  0.393905 0.561952 -0.105553   -0.22748    0.0499399   101 GLU   A HB3  
3140 H HG2  . GLU   B 89  ? 0.657483 0.385706 0.507658 -0.111259   -0.222015   0.0269086   101 GLU   A HG2  
3141 H HG3  . GLU   B 89  ? 0.726139 0.414382 0.526387 -0.114282   -0.260544   0.0315673   101 GLU   A HG3  
3142 N N    . ILE   B 90  ? 0.662213 0.403956 0.593622 -0.137513   -0.275455   0.032396    102 ILE   A N    
3143 C CA   . ILE   B 90  ? 0.626968 0.364753 0.552779 -0.139372   -0.254184   0.0219749   102 ILE   A CA   
3144 C C    . ILE   B 90  ? 0.650217 0.34976  0.492894 -0.129125   -0.234678   0.00678812  102 ILE   A C    
3145 O O    . ILE   B 90  ? 0.711678 0.366972 0.487914 -0.128554   -0.253316   0.00057433  102 ILE   A O    
3146 C CB   . ILE   B 90  ? 0.672206 0.391113 0.611345 -0.156572   -0.284146   0.0204654   102 ILE   A CB   
3147 C CG1  . ILE   B 90  ? 0.675727 0.439732 0.709136 -0.168092   -0.302037   0.0395086   102 ILE   A CG1  
3148 C CG2  . ILE   B 90  ? 0.671482 0.378936 0.594987 -0.154853   -0.258535   0.0101395   102 ILE   A CG2  
3149 C CD1  . ILE   B 90  ? 0.707784 0.456834 0.767958 -0.189652   -0.337232   0.0419771   102 ILE   A CD1  
3150 H H    . ILE   B 90  ? 0.697006 0.409383 0.590983 -0.140816   -0.299202   0.0302872   102 ILE   A H    
3151 H HA   . ILE   B 90  ? 0.588494 0.359468 0.554426 -0.135014   -0.231226   0.0262937   102 ILE   A HA   
3152 H HB   . ILE   B 90  ? 0.726006 0.408247 0.620568 -0.160766   -0.30929    0.0144103   102 ILE   A HB   
3153 H HG12 . ILE   B 90  ? 0.623662 0.421552 0.696239 -0.162476   -0.275154   0.0451907   102 ILE   A HG12 
3154 H HG13 . ILE   B 90  ? 0.672293 0.445205 0.716032 -0.166196   -0.316209   0.0466272   102 ILE   A HG13 
3155 H HG21 . ILE   B 90  ? 0.679932 0.383679 0.62872  -0.166454   -0.273551   0.0127654   102 ILE   A HG21 
3156 H HG22 . ILE   B 90  ? 0.625517 0.363561 0.574077 -0.14697    -0.230365   0.0136145   102 ILE   A HG22 
3157 H HG23 . ILE   B 90  ? 0.700404 0.372737 0.563426 -0.149439   -0.255439   -0.00188345 102 ILE   A HG23 
3158 H HD11 . ILE   B 90  ? 0.75888  0.467326 0.770345 -0.194939   -0.364037   0.0329602   102 ILE   A HD11 
3159 H HD12 . ILE   B 90  ? 0.693198 0.474959 0.816626 -0.196412   -0.349767   0.0565503   102 ILE   A HD12 
3160 H HD13 . ILE   B 90  ? 0.698518 0.444857 0.762087 -0.191534   -0.321142   0.0386578   102 ILE   A HD13 
3161 N N    . ALA   B 91  ? 0.599509 0.317139 0.445327 -0.119856   -0.196743   0.00189598  103 ALA   A N    
3162 C CA   . ALA   B 91  ? 0.634064 0.326517 0.415878 -0.108868   -0.172977   -0.00981252 103 ALA   A CA   
3163 C C    . ALA   B 91  ? 0.586005 0.280106 0.37002  -0.105626   -0.152459   -0.0176697  103 ALA   A C    
3164 O O    . ALA   B 91  ? 0.590679 0.317862 0.430838 -0.1088     -0.144445   -0.0118851  103 ALA   A O    
3165 C CB   . ALA   B 91  ? 0.605055 0.322611 0.392235 -0.099254   -0.145981   -0.00580862 103 ALA   A CB   
3166 H H    . ALA   B 91  ? 0.567865 0.316357 0.458922 -0.119802   -0.184885   0.0068003   103 ALA   A H    
3167 H HA   . ALA   B 91  ? 0.67401  0.33002  0.406512 -0.109286   -0.187976   -0.014676   103 ALA   A HA   
3168 H HB1  . ALA   B 91  ? 0.615772 0.329879 0.40089  -0.100368   -0.158266   0.00034285  103 ALA   A HB1  
3169 H HB2  . ALA   B 91  ? 0.561856 0.311202 0.391728 -0.0982596  -0.132652   -0.00292534 103 ALA   A HB2  
3170 H HB3  . ALA   B 91  ? 0.61606  0.320491 0.366188 -0.0927112  -0.129711   -0.0117295  103 ALA   A HB3  
3171 N N    . HIS   B 92  ? 0.63546  0.294572 0.35634  -0.096402   -0.140279   -0.0292863  104 HIS   A N    
3172 C CA   . HIS   B 92  ? 0.613108 0.275739 0.331517 -0.0875198  -0.114611   -0.0357272  104 HIS   A CA   
3173 C C    . HIS   B 92  ? 0.614767 0.302244 0.325925 -0.0739873  -0.0799184  -0.036014   104 HIS   A C    
3174 O O    . HIS   B 92  ? 0.638279 0.312722 0.311597 -0.0692366  -0.0745925  -0.0361916  104 HIS   A O    
3175 C CB   . HIS   B 92  ? 0.670571 0.275439 0.326984 -0.0841024  -0.124262   -0.0486026  104 HIS   A CB   
3176 C CG   . HIS   B 92  ? 0.690785 0.268437 0.359362 -0.099314   -0.157378   -0.0501418  104 HIS   A CG   
3177 N ND1  . HIS   B 92  ? 0.746678 0.263759 0.36056  -0.0997219  -0.174297   -0.0634624  104 HIS   A ND1  
3178 C CD2  . HIS   B 92  ? 0.646389 0.252674 0.380879 -0.114477   -0.173845   -0.0387659  104 HIS   A CD2  
3179 C CE1  . HIS   B 92  ? 0.751504 0.259949 0.401846 -0.118128   -0.203704   -0.0601147  104 HIS   A CE1  
3180 N NE2  . HIS   B 92  ? 0.666719 0.234743 0.395712 -0.127184   -0.20184    -0.0430161  104 HIS   A NE2  
3181 H H    . HIS   B 92  ? 0.668621 0.30093  0.346256 -0.094188   -0.147457   -0.0324858  104 HIS   A H    
3182 H HA   . HIS   B 92  ? 0.586959 0.272224 0.348577 -0.0919345  -0.113733   -0.0309688  104 HIS   A HA   
3183 H HB2  . HIS   B 92  ? 0.707776 0.287769 0.318928 -0.0804142  -0.128461   -0.0524681  104 HIS   A HB2  
3184 H HB3  . HIS   B 92  ? 0.665407 0.271693 0.313747 -0.07412    -0.103342   -0.0524902  104 HIS   A HB3  
3186 H HD2  . HIS   B 92  ? 0.599313 0.245383 0.378256 -0.115889   -0.166255   -0.0291688  104 HIS   A HD2  
3187 H HE1  . HIS   B 92  ? 0.796491 0.263852 0.422515 -0.123972   -0.222755   -0.0680163  104 HIS   A HE1  
3189 N N    . LEU   B 93  ? 0.533752 0.258635 0.28424  -0.069306   -0.0585626  -0.0338894  105 LEU   A N    
3190 C CA   . LEU   B 93  ? 0.527622 0.27916  0.279315 -0.0587802  -0.0297903  -0.0342518  105 LEU   A CA   
3191 C C    . LEU   B 93  ? 0.525199 0.273986 0.267499 -0.0472118  -0.013402   -0.039225   105 LEU   A C    
3192 O O    . LEU   B 93  ? 0.530902 0.285964 0.297883 -0.0483304  -0.0165004  -0.037664   105 LEU   A O    
3193 C CB   . LEU   B 93  ? 0.478364 0.276675 0.282224 -0.0620168  -0.0217957  -0.0281577  105 LEU   A CB   
3194 C CG   . LEU   B 93  ? 0.481691 0.286481 0.303737 -0.0702531  -0.0348195  -0.0221048  105 LEU   A CG   
3195 C CD1  . LEU   B 93  ? 0.441862 0.28649  0.308924 -0.0698729  -0.0234708  -0.0195728  105 LEU   A CD1  
3196 C CD2  . LEU   B 93  ? 0.507275 0.29104  0.291169 -0.0694225  -0.0338155  -0.0209891  105 LEU   A CD2  
3197 H H    . LEU   B 93  ? 0.530176 0.264508 0.30822  -0.073244   -0.063013   -0.0314026  105 LEU   A H    
3198 H HA   . LEU   B 93  ? 0.546569 0.284185 0.268339 -0.0560781  -0.0263305  -0.035146   105 LEU   A HA   
3199 H HB2  . LEU   B 93  ? 0.461003 0.272614 0.28984  -0.0627959  -0.0223505  -0.0267057  105 LEU   A HB2  
3200 H HB3  . LEU   B 93  ? 0.468165 0.281628 0.27177  -0.0564079  -0.0053276  -0.0293087  105 LEU   A HB3  
3201 H HG   . LEU   B 93  ? 0.488656 0.283662 0.318118 -0.0759922  -0.0522194  -0.0196211  105 LEU   A HG   
3202 H HD11 . LEU   B 93  ? 0.423987 0.281787 0.311814 -0.0691766  -0.0222544  -0.0190199  105 LEU   A HD11 
3203 H HD12 . LEU   B 93  ? 0.437754 0.284088 0.317237 -0.0734725  -0.0313949  -0.0156769  105 LEU   A HD12 
3204 H HD13 . LEU   B 93  ? 0.433029 0.287294 0.295344 -0.0662226  -0.00956203 -0.022085   105 LEU   A HD13 
3205 H HD21 . LEU   B 93  ? 0.545068 0.29932  0.294793 -0.0691977  -0.0436643  -0.0230429  105 LEU   A HD21 
3206 H HD22 . LEU   B 93  ? 0.503556 0.296495 0.281522 -0.0645799  -0.0161521  -0.0223428  105 LEU   A HD22 
3207 H HD23 . LEU   B 93  ? 0.50188  0.291471 0.300853 -0.0735233  -0.0408569  -0.0160563  105 LEU   A HD23 
3208 N N    . LEU   B 94  ? 0.523962 0.269877 0.23763  -0.0349065  0.0073778   -0.042269   106 LEU   A N    
3209 C CA   . LEU   B 94  ? 0.519281 0.277184 0.236344 -0.0205296  0.0277699   -0.0440807  106 LEU   A CA   
3210 C C    . LEU   B 94  ? 0.48517  0.291178 0.232908 -0.0165682  0.0485295   -0.0391563  106 LEU   A C    
3211 O O    . LEU   B 94  ? 0.50519  0.315213 0.242987 -0.0184339  0.0568041   -0.036492   106 LEU   A O    
3212 C CB   . LEU   B 94  ? 0.576335 0.287176 0.234775 -0.00676846 0.034786    -0.0518039  106 LEU   A CB   
3213 C CG   . LEU   B 94  ? 0.598837 0.313576 0.257576 0.0122323   0.0549909   -0.0535391  106 LEU   A CG   
3214 C CD1  . LEU   B 94  ? 0.592788 0.300655 0.27246  0.00997368  0.042799    -0.0532204  106 LEU   A CD1  
3215 C CD2  . LEU   B 94  ? 0.700056 0.368614 0.297772 0.0293942   0.0672988   -0.0615613  106 LEU   A CD2  
3216 H H    . LEU   B 94  ? 0.545094 0.282334 0.237887 -0.0347461  0.00953467  -0.0418257  106 LEU   A H    
3217 H HA   . LEU   B 94  ? 0.505191 0.268395 0.242427 -0.022086   0.0223238   -0.0430794  106 LEU   A HA   
3218 H HB2  . LEU   B 94  ? 0.610304 0.286995 0.247523 -0.0120823  0.0170589   -0.0561695  106 LEU   A HB2  
3219 H HB3  . LEU   B 94  ? 0.597028 0.304873 0.234771 -0.00399888 0.0434339   -0.0511129  106 LEU   A HB3  
3220 H HG   . LEU   B 94  ? 0.570831 0.324082 0.257248 0.0160196   0.0694094   -0.0483576  106 LEU   A HG   
3221 H HD11 . LEU   B 94  ? 0.550122 0.291118 0.267683 0.00247853  0.040004    -0.0472159  106 LEU   A HD11 
3222 H HD12 . LEU   B 94  ? 0.60455  0.308436 0.278751 0.0237198   0.0547597   -0.0541007  106 LEU   A HD12 
3223 H HD13 . LEU   B 94  ? 0.619534 0.292896 0.280182 0.00260211  0.0258821   -0.0573184  106 LEU   A HD13 
3224 H HD21 . LEU   B 94  ? 0.696303 0.371327 0.281197 0.031639    0.0783108   -0.0593839  106 LEU   A HD21 
3225 H HD22 . LEU   B 94  ? 0.72606  0.353027 0.292482 0.0251975   0.0507713   -0.0682554  106 LEU   A HD22 
3226 H HD23 . LEU   B 94  ? 0.693825 0.366012 0.294845 0.043284    0.0810543   -0.0618787  106 LEU   A HD23 
3227 N N    . ILE   B 95  ? 0.438207 0.278188 0.221489 -0.0118699  0.0554496   -0.0369389  107 ILE   A N    
3228 C CA   . ILE   B 95  ? 0.430818 0.318494 0.252911 -0.0143576  0.0637503   -0.0333666  107 ILE   A CA   
3229 C C    . ILE   B 95  ? 0.375457 0.290431 0.212276 -6.52e-06   0.0794035   -0.0314566  107 ILE   A C    
3230 O O    . ILE   B 95  ? 0.422236 0.338236 0.264332 0.00847718  0.0779353   -0.0305626  107 ILE   A O    
3231 C CB   . ILE   B 95  ? 0.390142 0.297618 0.24445  -0.0246142  0.0508852   -0.0321456  107 ILE   A CB   
3232 C CG1  . ILE   B 95  ? 0.417827 0.304389 0.266913 -0.0368923  0.0354926   -0.0317436  107 ILE   A CG1  
3233 C CG2  . ILE   B 95  ? 0.397419 0.345982 0.282067 -0.0264434  0.0575489   -0.0319694  107 ILE   A CG2  
3234 C CD1  . ILE   B 95  ? 0.429792 0.328886 0.308269 -0.0430058  0.0249886   -0.0288529  107 ILE   A CD1  
3235 H H    . ILE   B 95  ? 0.455143 0.285601 0.236188 -0.00701253 0.0535475   -0.0377581  107 ILE   A H    
3236 H HA   . ILE   B 95  ? 0.416969 0.30668  0.235433 -0.0184267  0.0676073   -0.0323447  107 ILE   A HA   
3237 H HB   . ILE   B 95  ? 0.399959 0.306359 0.258272 -0.020781   0.0486199   -0.0311407  107 ILE   A HB   
3238 H HG12 . ILE   B 95  ? 0.417395 0.309307 0.268026 -0.0410039  0.0375136   -0.0313724  107 ILE   A HG12 
3239 H HG13 . ILE   B 95  ? 0.446459 0.304353 0.27089  -0.0363968  0.0301142   -0.032826   107 ILE   A HG13 
3240 H HG21 . ILE   B 95  ? 0.370873 0.326759 0.269339 -0.0326483  0.0505711   -0.0325976  107 ILE   A HG21 
3241 H HG22 . ILE   B 95  ? 0.390545 0.340842 0.27241  -0.0287854  0.0631915   -0.0315288  107 ILE   A HG22 
3242 H HG23 . ILE   B 95  ? 0.379425 0.344414 0.272572 -0.0189179  0.062659    -0.0312997  107 ILE   A HG23 
3243 H HD11 . ILE   B 95  ? 0.422086 0.316509 0.30089  -0.0397344  0.0241417   -0.0272875  107 ILE   A HD11 
3244 H HD12 . ILE   B 95  ? 0.424429 0.311447 0.302893 -0.0497947  0.0147315   -0.0274079  107 ILE   A HD12 
3245 H HD13 . ILE   B 95  ? 0.39776  0.320932 0.294639 -0.0427771  0.029712    -0.0292862  107 ILE   A HD13 
3246 N N    . LYS   B 96  ? 0.425705 0.363427 0.271414 0.00357152  0.0951566   -0.0284932  108 LYS   A N    
3247 C CA   . LYS   B 96  ? 0.397624 0.372058 0.270443 0.0162216   0.107137    -0.0245345  108 LYS   A CA   
3248 C C    . LYS   B 96  ? 0.380218 0.393779 0.291887 0.00904495  0.095434    -0.0242244  108 LYS   A C    
3249 O O    . LYS   B 96  ? 0.371996 0.388921 0.292703 -0.00536895 0.0837156   -0.0273092  108 LYS   A O    
3250 C CB   . LYS   B 96  ? 0.419477 0.411562 0.299445 0.0185917   0.126835    -0.0189142  108 LYS   A CB   
3251 C CG   . LYS   B 96  ? 0.496145 0.450427 0.330013 0.0319348   0.144511    -0.0186078  108 LYS   A CG   
3252 C CD   . LYS   B 96  ? 0.574753 0.550734 0.417702 0.0371535   0.171       -0.0089343  108 LYS   A CD   
3253 C CE   . LYS   B 96  ? 0.653345 0.585067 0.43775  0.0540644   0.191167    -0.00953845 108 LYS   A CE   
3254 N NZ   . LYS   B 96  ? 0.734501 0.689318 0.529676 0.0558135   0.218533    0.00327341  108 LYS   A NZ   
3255 H H    . LYS   B 96  ? 0.417947 0.349609 0.255286 -0.0018211  0.098098    -0.0275406  108 LYS   A H    
3256 H HA   . LYS   B 96  ? 0.423253 0.38276  0.282112 0.0283399   0.110324    -0.0249614  108 LYS   A HA   
3257 H HB2  . LYS   B 96  ? 0.411742 0.410363 0.301124 0.00533644  0.122775    -0.0182185  108 LYS   A HB2  
3258 H HB3  . LYS   B 96  ? 0.411714 0.436088 0.319737 0.0246606   0.132948    -0.0149728  108 LYS   A HB3  
3259 H HG2  . LYS   B 96  ? 0.517329 0.459433 0.339261 0.0455778   0.147668    -0.0206976  108 LYS   A HG2  
3260 H HG3  . LYS   B 96  ? 0.516832 0.439308 0.322049 0.0248533   0.135567    -0.0224667  108 LYS   A HG3  
3261 H HD2  . LYS   B 96  ? 0.550324 0.536134 0.405905 0.0226599   0.167663    -0.00589446 108 LYS   A HD2  
3262 H HD3  . LYS   B 96  ? 0.549266 0.56005  0.425858 0.0441379   0.1789      -0.00417872 108 LYS   A HD3  
3263 H HE2  . LYS   B 96  ? 0.679592 0.603521 0.45486  0.0704077   0.197958    -0.012079   108 LYS   A HE2  
3264 H HE3  . LYS   B 96  ? 0.681198 0.575588 0.429035 0.0481016   0.179489    -0.0152604  108 LYS   A HE3  
3265 H HZ1  . LYS   B 96  ? 0.699578 0.689093 0.529766 0.0628341   0.229986    0.0091438   108 LYS   A HZ1  
3266 H HZ2  . LYS   B 96  ? 0.693556 0.657705 0.502675 0.0400718   0.212026    0.00668063  108 LYS   A HZ2  
3267 H HZ3  . LYS   B 96  ? 0.752187 0.677291 0.505889 0.0660559   0.23097     0.00278642  108 LYS   A HZ3  
3268 N N    . PRO   B 97  ? 0.34069  0.382922 0.272997 0.02166     0.0980163   -0.020539   109 PRO   A N    
3269 C CA   . PRO   B 97  ? 0.359033 0.432737 0.316464 0.0185571   0.0852374   -0.0207091  109 PRO   A CA   
3270 C C    . PRO   B 97  ? 0.339217 0.44025  0.322235 0.00220021  0.0772601   -0.0244599  109 PRO   A C    
3271 O O    . PRO   B 97  ? 0.340816 0.447078 0.326753 -0.00476662 0.0640562   -0.0294609  109 PRO   A O    
3272 C CB   . PRO   B 97  ? 0.387685 0.486755 0.360685 0.0373583   0.0897292   -0.0138595  109 PRO   A CB   
3273 C CG   . PRO   B 97  ? 0.376399 0.454919 0.333359 0.052574    0.107626    -0.0105878  109 PRO   A CG   
3274 C CD   . PRO   B 97  ? 0.404938 0.444733 0.330888 0.0429644   0.113385    -0.015823   109 PRO   A CD   
3275 H HA   . PRO   B 97  ? 0.353023 0.410038 0.297965 0.0168425   0.0780171   -0.0222643  109 PRO   A HA   
3276 H HB2  . PRO   B 97  ? 0.362112 0.494487 0.361522 0.035174    0.0873502   -0.0123495  109 PRO   A HB2  
3277 H HB3  . PRO   B 97  ? 0.372502 0.466742 0.338996 0.0421774   0.0829955   -0.0126552  109 PRO   A HB3  
3278 H HG2  . PRO   B 97  ? 0.387848 0.493606 0.366679 0.0591486   0.116013    -0.00599108 109 PRO   A HG2  
3279 H HG3  . PRO   B 97  ? 0.400467 0.461724 0.343762 0.0636522   0.107613    -0.00899814 109 PRO   A HG3  
3280 H HD2  . PRO   B 97  ? 0.400782 0.448663 0.330862 0.0453032   0.125814    -0.0134162  109 PRO   A HD2  
3281 H HD3  . PRO   B 97  ? 0.412373 0.417881 0.310795 0.0485755   0.113709    -0.017975   109 PRO   A HD3  
3282 N N    . GLU   B 98  ? 0.34583  0.460504 0.345423 -0.00386112 0.0867341   -0.0217356  110 GLU   A N    
3283 C CA   . GLU   B 98  ? 0.332258 0.468623 0.359343 -0.0214999  0.0788234   -0.0245699  110 GLU   A CA   
3284 C C    . GLU   B 98  ? 0.324279 0.432164 0.33389  -0.0348988  0.0681474   -0.0325625  110 GLU   A C    
3285 O O    . GLU   B 98  ? 0.316813 0.437453 0.343854 -0.0464747  0.0565131   -0.0386765  110 GLU   A O    
3286 C CB   . GLU   B 98  ? 0.357715 0.5104   0.407033 -0.0262658  0.0946702   -0.0160709  110 GLU   A CB   
3287 C CG   . GLU   B 98  ? 0.454956 0.643817 0.5311   -0.0101791  0.106325    -0.00673597 110 GLU   A CG   
3288 C CD   . GLU   B 98  ? 0.570472 0.741317 0.619852 0.0143399   0.123505    -0.00223551 110 GLU   A CD   
3289 O OE1  . GLU   B 98  ? 0.417229 0.541524 0.421314 0.0176022   0.131416    -0.00526974 110 GLU   A OE1  
3290 O OE2  . GLU   B 98  ? 0.690414 0.8922   0.764139 0.0310141   0.127261    0.00416529  110 GLU   A OE2  
3291 H H    . GLU   B 98  ? 0.359108 0.466799 0.35145  0.00311027  0.0991171   -0.0177073  110 GLU   A H    
3292 H HA   . GLU   B 98  ? 0.327854 0.4889   0.373217 -0.0207595  0.0695076   -0.0259993  110 GLU   A HA   
3293 H HB2  . GLU   B 98  ? 0.384852 0.511694 0.410946 -0.0256329  0.104304    -0.0142261  110 GLU   A HB2  
3294 H HB3  . GLU   B 98  ? 0.366432 0.531266 0.436344 -0.0400237  0.0880392   -0.0175223  110 GLU   A HB3  
3295 H HG2  . GLU   B 98  ? 0.45157  0.659812 0.552629 -0.0160979  0.11509     -0.00030149 110 GLU   A HG2  
3296 H HG3  . GLU   B 98  ? 0.437194 0.648726 0.531595 -0.00965731 0.0933614   -0.00873092 110 GLU   A HG3  
3297 N N    . TYR   B 99  ? 0.328417 0.398744 0.306499 -0.0330233  0.0705843   -0.0326623  111 TYR   A N    
3298 C CA   . TYR   B 99  ? 0.284149 0.329884 0.251044 -0.0431537  0.0616407   -0.0371642  111 TYR   A CA   
3299 C C    . TYR   B 99  ? 0.309237 0.345703 0.265819 -0.0372742  0.0535089   -0.0398189  111 TYR   A C    
3300 O O    . TYR   B 99  ? 0.354231 0.371428 0.304452 -0.0424631  0.0477805   -0.0411207  111 TYR   A O    
3301 C CB   . TYR   B 99  ? 0.343815 0.358468 0.288378 -0.046723   0.0671932   -0.0328481  111 TYR   A CB   
3302 C CG   . TYR   B 99  ? 0.332646 0.356336 0.288686 -0.0543398  0.0776824   -0.0273511  111 TYR   A CG   
3303 C CD1  . TYR   B 99  ? 0.375697 0.412498 0.333814 -0.0468206  0.0950125   -0.0199861  111 TYR   A CD1  
3304 C CD2  . TYR   B 99  ? 0.387311 0.401715 0.350582 -0.0681446  0.0726023   -0.027245   111 TYR   A CD2  
3305 C CE1  . TYR   B 99  ? 0.387415 0.434888 0.360412 -0.0546609  0.108097    -0.011199   111 TYR   A CE1  
3306 C CE2  . TYR   B 99  ? 0.399639 0.421333 0.377394 -0.0776325  0.0829619   -0.0193183  111 TYR   A CE2  
3307 C CZ   . TYR   B 99  ? 0.418618 0.45858  0.402578 -0.0717896  0.101496    -0.0102205  111 TYR   A CZ   
3308 O OH   . TYR   B 99  ? 0.460318 0.510292 0.462825 -0.0815573  0.115449    0.00142541  111 TYR   A OH   
3309 H H    . TYR   B 99  ? 0.32928  0.38872  0.293205 -0.0244269  0.0775634   -0.029508   111 TYR   A H    
3310 H HA   . TYR   B 99  ? 0.300932 0.357043 0.283129 -0.0515298  0.0568825   -0.0405582  111 TYR   A HA   
3311 H HB2  . TYR   B 99  ? 0.340421 0.342527 0.267236 -0.0385586  0.071553    -0.0308472  111 TYR   A HB2  
3312 H HB3  . TYR   B 99  ? 0.328818 0.328241 0.268099 -0.0517964  0.0594847   -0.0347258  111 TYR   A HB3  
3313 H HD1  . TYR   B 99  ? 0.371571 0.4114   0.323452 -0.0355031  0.099273    -0.0199036  111 TYR   A HD1  
3314 H HD2  . TYR   B 99  ? 0.367124 0.373143 0.330506 -0.0712542  0.0625745   -0.0320393  111 TYR   A HD2  
3315 H HE1  . TYR   B 99  ? 0.403291 0.464179 0.382057 -0.0481586  0.122168    -0.00499721 111 TYR   A HE1  
3316 H HE2  . TYR   B 99  ? 0.404563 0.41766  0.388367 -0.0873835  0.0787615   -0.0188722  111 TYR   A HE2  
3318 N N    . ALA   B 100 ? 0.299003 0.349739 0.256466 -0.0259677  0.0541262   -0.0380475  112 ALA   A N    
3319 C CA   . ALA   B 100 ? 0.314847 0.35706  0.263183 -0.0200419  0.0501932   -0.0363875  112 ALA   A CA   
3320 C C    . ALA   B 100 ? 0.309941 0.38008  0.26627  -0.013733   0.045817    -0.0381275  112 ALA   A C    
3321 O O    . ALA   B 100 ? 0.319804 0.399644 0.281527 -0.0198663  0.039099    -0.0459195  112 ALA   A O    
3322 C CB   . ALA   B 100 ? 0.339585 0.359179 0.271614 -0.011675   0.054626    -0.030009   112 ALA   A CB   
3323 H H    . ALA   B 100 ? 0.305497 0.372681 0.271231 -0.0214846  0.057654    -0.0362887  112 ALA   A H    
3324 H HA   . ALA   B 100 ? 0.310808 0.342647 0.258391 -0.0260148  0.046712    -0.0381686  112 ALA   A HA   
3325 H HB1  . ALA   B 100 ? 0.342901 0.341218 0.265889 -0.0168965  0.0533316   -0.0302205  112 ALA   A HB1  
3326 H HB2  . ALA   B 100 ? 0.342059 0.36742  0.273474 -0.00501841 0.0600851   -0.0285777  112 ALA   A HB2  
3327 H HB3  . ALA   B 100 ? 0.336161 0.355063 0.266895 -0.00739569 0.0530576   -0.026753   112 ALA   A HB3  
3328 N N    . TYR   B 101 ? 0.286649 0.36755  0.24103  -0.00088909 0.0478632   -0.0319047  113 TYR   A N    
3329 C CA   . TYR   B 101 ? 0.285182 0.389782 0.240333 0.00711813  0.0409592   -0.0315409  113 TYR   A CA   
3330 C C    . TYR   B 101 ? 0.329208 0.465509 0.302194 0.0140228   0.037298    -0.029344   113 TYR   A C    
3331 O O    . TYR   B 101 ? 0.332829 0.491088 0.306139 0.0214949   0.0273036   -0.0283305  113 TYR   A O    
3332 C CB   . TYR   B 101 ? 0.316811 0.409102 0.255102 0.0185197   0.0442189   -0.0217747  113 TYR   A CB   
3333 C CG   . TYR   B 101 ? 0.346317 0.418112 0.276744 0.0121764   0.0473873   -0.0211315  113 TYR   A CG   
3334 C CD1  . TYR   B 101 ? 0.310592 0.389393 0.236227 0.00992651  0.0449748   -0.0274812  113 TYR   A CD1  
3335 C CD2  . TYR   B 101 ? 0.317236 0.361737 0.248057 0.00669719  0.0516577   -0.0162912  113 TYR   A CD2  
3336 C CE1  . TYR   B 101 ? 0.313824 0.378776 0.239519 0.00645782  0.0508708   -0.0250735  113 TYR   A CE1  
3337 C CE2  . TYR   B 101 ? 0.303235 0.336199 0.237846 -2.91e-05   0.0529326   -0.0138171  113 TYR   A CE2  
3338 C CZ   . TYR   B 101 ? 0.320708 0.366364 0.255609 0.00098687  0.0545881   -0.0168539  113 TYR   A CZ   
3339 O OH   . TYR   B 101 ? 0.296777 0.335673 0.241798 -0.00324007 0.0586589   -0.0131881  113 TYR   A OH   
3340 H H    . TYR   B 101 ? 0.298956 0.370123 0.248987 0.00405538  0.0532097   -0.0276459  113 TYR   A H    
3341 H HA   . TYR   B 101 ? 0.296951 0.405517 0.251891 0.00100902  0.0354463   -0.0384016  113 TYR   A HA   
3342 H HB2  . TYR   B 101 ? 0.323769 0.406014 0.260699 0.024021    0.0490915   -0.0158429  113 TYR   A HB2  
3343 H HB3  . TYR   B 101 ? 0.325536 0.433357 0.260321 0.025415    0.0395793   -0.0203928  113 TYR   A HB3  
3344 H HD1  . TYR   B 101 ? 0.324736 0.417965 0.246264 0.0125988   0.0394031   -0.0326703  113 TYR   A HD1  
3345 H HD2  . TYR   B 101 ? 0.325333 0.359244 0.253918 0.008673    0.0531868   -0.0140325  113 TYR   A HD2  
3346 H HE1  . TYR   B 101 ? 0.321438 0.390407 0.241636 0.00807704  0.0516372   -0.0293187  113 TYR   A HE1  
3347 H HE2  . TYR   B 101 ? 0.313164 0.329147 0.250367 -0.00450806 0.0526656   -0.00986912 113 TYR   A HE2  
3349 N N    . GLY   B 102 ? 0.321117 0.462855 0.310557 0.0121083   0.0450358   -0.0275927  114 GLY   A N    
3350 C CA   . GLY   B 102 ? 0.332157 0.512378 0.352595 0.0138031   0.0417972   -0.025364   114 GLY   A CA   
3351 C C    . GLY   B 102 ? 0.329916 0.529207 0.35658  0.0338511   0.0416811   -0.0152355  114 GLY   A C    
3352 O O    . GLY   B 102 ? 0.346729 0.524154 0.350999 0.047237    0.0466233   -0.00915182 114 GLY   A O    
3353 H H    . GLY   B 102 ? 0.325121 0.446945 0.30689  0.0100364   0.0527299   -0.0269347  114 GLY   A H    
3354 H HA2  . GLY   B 102 ? 0.324748 0.504934 0.355655 0.00987711  0.0508238   -0.023993   114 GLY   A HA2  
3355 H HA3  . GLY   B 102 ? 0.324325 0.518724 0.353453 0.00528208  0.0302397   -0.0313295  114 GLY   A HA3  
3356 N N    . SER   B 103 ? 0.33099  0.573638 0.391244 0.0345574   0.0312646   -0.0130312  115 SER   A N    
3357 C CA   . SER   B 103 ? 0.329899 0.597673 0.402321 0.0550001   0.0273124   -0.00181139 115 SER   A CA   
3358 C C    . SER   B 103 ? 0.330904 0.592122 0.374558 0.0623928   0.0121037   -0.00141468 115 SER   A C    
3359 O O    . SER   B 103 ? 0.355337 0.618109 0.392823 0.0819044   0.0128372   0.0100572   115 SER   A O    
3360 C CB   . SER   B 103 ? 0.377279 0.698333 0.501703 0.054415    0.0193697   0.00340551  115 SER   A CB   
3361 O OG   . SER   B 103 ? 0.398439 0.734423 0.53344  0.0333669   -0.00152908 -0.0076793  115 SER   A OG   
3362 H H    . SER   B 103 ? 0.322566 0.579172 0.400203 0.0220522   0.0255028   -0.0177988  115 SER   A H    
3363 H HA   . SER   B 103 ? 0.343136 0.594854 0.407878 0.0666259   0.0416251   0.00414224  115 SER   A HA   
3364 H HB2  . SER   B 103 ? 0.378667 0.717483 0.510778 0.0688016   0.0133082   0.011148    115 SER   A HB2  
3365 H HB3  . SER   B 103 ? 0.365551 0.690996 0.507849 0.0542517   0.0344567   0.00701416  115 SER   A HB3  
3367 N N    . ALA   B 104 ? 0.354816 0.608251 0.379408 0.0488828   -0.00081471 -0.0129135  116 ALA   A N    
3368 C CA   . ALA   B 104 ? 0.382829 0.630802 0.374664 0.0582021   -0.0126156  -0.011438   116 ALA   A CA   
3369 C C    . ALA   B 104 ? 0.349646 0.559318 0.308552 0.0676665   0.00373775  -0.00298424 116 ALA   A C    
3370 O O    . ALA   B 104 ? 0.388424 0.594792 0.324001 0.0824218   0.00033081  0.00736374  116 ALA   A O    
3371 C CB   . ALA   B 104 ? 0.450537 0.696732 0.427255 0.0431583   -0.0281028  -0.0279308  116 ALA   A CB   
3372 H H    . ALA   B 104 ? 0.343397 0.593338 0.373396 0.0350181   -0.00122113 -0.0212538  116 ALA   A H    
3373 H HA   . ALA   B 104 ? 0.393496 0.66405  0.394759 0.06885     -0.0220727  -0.00440763 116 ALA   A HA   
3374 H HB1  . ALA   B 104 ? 0.431519 0.700633 0.43085  0.0357004   -0.0409956  -0.0329425  116 ALA   A HB1  
3375 H HB2  . ALA   B 104 ? 0.421205 0.646967 0.392139 0.033891    -0.0189081  -0.0339286  116 ALA   A HB2  
3376 H HB3  . ALA   B 104 ? 0.450636 0.691754 0.400233 0.0507738   -0.0344252  -0.0272078  116 ALA   A HB3  
3377 N N    . GLY   B 105 ? 0.334472 0.516702 0.29252  0.0584699   0.0189822   -0.00605434 117 GLY   A N    
3378 C CA   . GLY   B 105 ? 0.362244 0.507758 0.297126 0.0596694   0.0313307   -0.00047622 117 GLY   A CA   
3379 C C    . GLY   B 105 ? 0.393067 0.531502 0.303473 0.0569009   0.0284459   -0.00285615 117 GLY   A C    
3380 O O    . GLY   B 105 ? 0.377418 0.528932 0.285296 0.049623    0.0183301   -0.0151574  117 GLY   A O    
3381 H H    . GLY   B 105 ? 0.328324 0.515328 0.302775 0.0499887   0.0210009   -0.0113628  117 GLY   A H    
3382 H HA2  . GLY   B 105 ? 0.350621 0.481186 0.290256 0.0512345   0.0381485   -0.0044019  117 GLY   A HA2  
3383 H HA3  . GLY   B 105 ? 0.371612 0.510271 0.30235  0.0713434   0.0354639   0.00979935  117 GLY   A HA3  
3384 N N    . SER   B 106 ? 0.34995  0.46599  0.243461 0.0631942   0.0385876   0.00955312  118 SER   A N    
3385 C CA   . SER   B 106 ? 0.365176 0.474676 0.235604 0.0641702   0.0427672   0.0120231   118 SER   A CA   
3386 C C    . SER   B 106 ? 0.378246 0.475355 0.233403 0.0776089   0.0512496   0.0330686   118 SER   A C    
3387 O O    . SER   B 106 ? 0.400951 0.476767 0.258958 0.0731773   0.063724    0.0428406   118 SER   A O    
3388 C CB   . SER   B 106 ? 0.337638 0.431633 0.215973 0.0502245   0.0509686   0.0053701   118 SER   A CB   
3389 O OG   . SER   B 106 ? 0.392719 0.485655 0.251524 0.0536009   0.0576208   0.00608235  118 SER   A OG   
3390 H H    . SER   B 106 ? 0.364393 0.467883 0.261215 0.0672496   0.0442254   0.0173792   118 SER   A H    
3391 H HA   . SER   B 106 ? 0.37104  0.495281 0.23058  0.0666222   0.0338943   0.00514805  118 SER   A HA   
3392 H HB2  . SER   B 106 ? 0.3352   0.434237 0.224123 0.042034    0.0455603   -0.00625198 118 SER   A HB2  
3393 H HB3  . SER   B 106 ? 0.344198 0.422707 0.231193 0.0473213   0.0573992   0.0126196   118 SER   A HB3  
3395 N N    . LEU   B 107 ? 0.412146 0.523356 0.256102 0.0928422   0.0426978   0.0408702   119 LEU   A N    
3396 C CA   . LEU   B 107 ? 0.43546  0.532887 0.266919 0.107535    0.0493359   0.0632013   119 LEU   A CA   
3397 C C    . LEU   B 107 ? 0.495315 0.585072 0.297358 0.111483    0.0597115   0.0744163   119 LEU   A C    
3398 O O    . LEU   B 107 ? 0.475299 0.578869 0.25505  0.112369    0.054793    0.0637756   119 LEU   A O    
3399 C CB   . LEU   B 107 ? 0.474024 0.591447 0.305173 0.124238    0.0356352   0.0688843   119 LEU   A CB   
3400 C CG   . LEU   B 107 ? 0.527921 0.646084 0.391204 0.125654    0.0353391   0.0660058   119 LEU   A CG   
3401 C CD1  . LEU   B 107 ? 0.617403 0.764698 0.492668 0.143393    0.0219826   0.0718096   119 LEU   A CD1  
3402 C CD2  . LEU   B 107 ? 0.527392 0.605435 0.38949  0.128483    0.0502794   0.0797271   119 LEU   A CD2  
3403 H H    . LEU   B 107 ? 0.407572 0.537706 0.253138 0.0939583   0.0311958   0.0326852   119 LEU   A H    
3404 H HA   . LEU   B 107 ? 0.440457 0.518578 0.284813 0.103421    0.0570516   0.0677496   119 LEU   A HA   
3405 H HB2  . LEU   B 107 ? 0.483964 0.622844 0.309407 0.124209    0.0234543   0.059693    119 LEU   A HB2  
3406 H HB3  . LEU   B 107 ? 0.508006 0.616833 0.323097 0.135758    0.0387801   0.0846928   119 LEU   A HB3  
3407 H HG   . LEU   B 107 ? 0.500058 0.622531 0.377576 0.113326    0.0352917   0.0524398   119 LEU   A HG   
3408 H HD11 . LEU   B 107 ? 0.589476 0.762281 0.4659   0.14057     0.00911842  0.0638169   119 LEU   A HD11 
3409 H HD12 . LEU   B 107 ? 0.580755 0.728334 0.477147 0.144698    0.0258086   0.0694922   119 LEU   A HD12 
3410 H HD13 . LEU   B 107 ? 0.616411 0.756236 0.477632 0.156727    0.0222608   0.0865412   119 LEU   A HD13 
3411 H HD21 . LEU   B 107 ? 0.517564 0.57999  0.382343 0.115258    0.0567024   0.0743538   119 LEU   A HD21 
3412 H HD22 . LEU   B 107 ? 0.552829 0.622592 0.39921  0.137081    0.0525537   0.0940531   119 LEU   A HD22 
3413 H HD23 . LEU   B 107 ? 0.531617 0.60622  0.405981 0.135159    0.0508898   0.0800903   119 LEU   A HD23 
3414 N N    . PRO   B 108 ? 0.500988 0.568206 0.297633 0.116435    0.0743883   0.0974669   120 PRO   A N    
3415 C CA   . PRO   B 108 ? 0.509607 0.553304 0.323687 0.118567    0.0774344   0.110323    120 PRO   A CA   
3416 C C    . PRO   B 108 ? 0.490901 0.511384 0.333641 0.0998023   0.083159    0.103359    120 PRO   A C    
3417 O O    . PRO   B 108 ? 0.538183 0.534263 0.391966 0.100207    0.0826535   0.106633    120 PRO   A O    
3418 C CB   . PRO   B 108 ? 0.527497 0.553822 0.322524 0.128136    0.0903573   0.138292    120 PRO   A CB   
3419 C CG   . PRO   B 108 ? 0.562328 0.599107 0.340915 0.123789    0.102257    0.139033    120 PRO   A CG   
3420 C CD   . PRO   B 108 ? 0.549512 0.613395 0.315176 0.124992    0.0874725   0.114304    120 PRO   A CD   
3421 H HA   . PRO   B 108 ? 0.50615  0.558129 0.322728 0.127023    0.0680393   0.107628    120 PRO   A HA   
3422 H HB2  . PRO   B 108 ? 0.541388 0.544239 0.350828 0.122637    0.0970292   0.147423    120 PRO   A HB2  
3423 H HB3  . PRO   B 108 ? 0.560362 0.592055 0.338945 0.142839    0.0847368   0.146747    120 PRO   A HB3  
3424 H HG2  . PRO   B 108 ? 0.540612 0.569082 0.339149 0.11087     0.11073     0.138187    120 PRO   A HG2  
3425 H HG3  . PRO   B 108 ? 0.587327 0.620866 0.344324 0.13381     0.110165    0.156288    120 PRO   A HG3  
3426 H HD2  . PRO   B 108 ? 0.541881 0.609502 0.305444 0.118609    0.0937039   0.106657    120 PRO   A HD2  
3427 H HD3  . PRO   B 108 ? 0.570588 0.64435  0.310877 0.137786    0.0799874   0.117415    120 PRO   A HD3  
3428 N N    . LYS   B 109 ? 0.46963  0.496296 0.322185 0.08472     0.086138    0.0915174   121 LYS   A N    
3429 C CA   . LYS   B 109 ? 0.483524 0.489111 0.361314 0.0666401   0.0885183   0.0871544   121 LYS   A CA   
3430 C C    . LYS   B 109 ? 0.459152 0.456495 0.346374 0.0624445   0.0783996   0.0703576   121 LYS   A C    
3431 O O    . LYS   B 109 ? 0.462618 0.428658 0.357066 0.0567459   0.0777677   0.0721955   121 LYS   A O    
3432 C CB   . LYS   B 109 ? 0.493032 0.510346 0.38081  0.0550051   0.0942932   0.0815562   121 LYS   A CB   
3433 C CG   . LYS   B 109 ? 0.488957 0.488024 0.406398 0.0355069   0.0923654   0.0780778   121 LYS   A CG   
3434 C CD   . LYS   B 109 ? 0.529112 0.543242 0.462343 0.0274124   0.0991512   0.0761987   121 LYS   A CD   
3435 C CE   . LYS   B 109 ? 0.573069 0.600692 0.500985 0.0359172   0.117015    0.0930541   121 LYS   A CE   
3436 N NZ   . LYS   B 109 ? 0.583577 0.597921 0.535468 0.0290313   0.127602    0.11861     121 LYS   A NZ   
3437 H H    . LYS   B 109 ? 0.474733 0.518063 0.317033 0.0861728   0.0855675   0.0857506   121 LYS   A H    
3438 H HA   . LYS   B 109 ? 0.496594 0.482269 0.378719 0.06553     0.0938442   0.101477    121 LYS   A HA   
3439 H HB2  . LYS   B 109 ? 0.506687 0.527342 0.388018 0.0594355   0.104192    0.0944005   121 LYS   A HB2  
3440 H HB3  . LYS   B 109 ? 0.478496 0.512373 0.359628 0.056387    0.0892851   0.0678788   121 LYS   A HB3  
3441 H HG2  . LYS   B 109 ? 0.485236 0.479768 0.403656 0.032114    0.0836576   0.0652564   121 LYS   A HG2  
3442 H HG3  . LYS   B 109 ? 0.511589 0.491985 0.436748 0.0323699   0.0946736   0.0905847   121 LYS   A HG3  
3443 H HD2  . LYS   B 109 ? 0.507864 0.533286 0.435276 0.027932    0.0943056   0.0612624   121 LYS   A HD2  
3444 H HD3  . LYS   B 109 ? 0.515221 0.518009 0.469464 0.0156728   0.0961597   0.0778019   121 LYS   A HD3  
3445 H HE2  . LYS   B 109 ? 0.578635 0.612498 0.48133  0.0480854   0.118661    0.0942089   121 LYS   A HE2  
3446 H HE3  . LYS   B 109 ? 0.556326 0.595914 0.489423 0.0347046   0.121022    0.0867653   121 LYS   A HE3  
3447 H HZ1  . LYS   B 109 ? 0.597023 0.596304 0.543039 0.0304304   0.123891    0.124433    121 LYS   A HZ1  
3448 H HZ2  . LYS   B 109 ? 0.573906 0.584144 0.551109 0.0170585   0.124073    0.117777    121 LYS   A HZ2  
3449 H HZ3  . LYS   B 109 ? 0.599301 0.623875 0.547068 0.0353902   0.141222    0.130062    121 LYS   A HZ3  
3450 N N    . ILE   B 110 ? 0.385543 0.408587 0.271457 0.0647693   0.0708345   0.0541557   122 ILE   A N    
3451 C CA   . ILE   B 110 ? 0.369558 0.388499 0.26526  0.0603445   0.066003    0.040189    122 ILE   A CA   
3452 C C    . ILE   B 110 ? 0.392566 0.433459 0.288027 0.0761255   0.0615226   0.0393759   122 ILE   A C    
3453 O O    . ILE   B 110 ? 0.400893 0.473323 0.295149 0.0804709   0.054419    0.0362723   122 ILE   A O    
3454 C CB   . ILE   B 110 ? 0.389542 0.420685 0.294509 0.0455055   0.0623141   0.0236997   122 ILE   A CB   
3455 C CG1  . ILE   B 110 ? 0.436858 0.457576 0.348247 0.0321564   0.065218    0.0244456   122 ILE   A CG1  
3456 C CG2  . ILE   B 110 ? 0.40496  0.428744 0.315945 0.0417982   0.0606404   0.0130408   122 ILE   A CG2  
3457 C CD1  . ILE   B 110 ? 0.461691 0.449421 0.379915 0.0236877   0.0659795   0.0315171   122 ILE   A CD1  
3458 H H    . ILE   B 110 ? 0.397615 0.440125 0.275739 0.0689693   0.0689225   0.0522855   122 ILE   A H    
3459 H HA   . ILE   B 110 ? 0.391467 0.384807 0.288266 0.0576259   0.0680362   0.0429233   122 ILE   A HA   
3460 H HB   . ILE   B 110 ? 0.38857  0.442187 0.291542 0.0485002   0.0587954   0.019343    122 ILE   A HB   
3461 H HG12 . ILE   B 110 ? 0.432495 0.461825 0.339242 0.0360996   0.0691397   0.0309167   122 ILE   A HG12 
3462 H HG13 . ILE   B 110 ? 0.412115 0.440065 0.328598 0.0251054   0.0621997   0.0140707   122 ILE   A HG13 
3463 H HG21 . ILE   B 110 ? 0.385893 0.408935 0.301342 0.0311425   0.0589763   0.00554067  122 ILE   A HG21 
3464 H HG22 . ILE   B 110 ? 0.410326 0.410361 0.316807 0.0437641   0.0630339   0.0168194   122 ILE   A HG22 
3465 H HG23 . ILE   B 110 ? 0.395347 0.438008 0.309653 0.048678    0.0590949   0.0106177   122 ILE   A HG23 
3466 H HD11 . ILE   B 110 ? 0.454452 0.430526 0.37168  0.0200183   0.0619683   0.0237563   122 ILE   A HD11 
3467 H HD12 . ILE   B 110 ? 0.450816 0.438388 0.378907 0.0156214   0.0672073   0.0339758   122 ILE   A HD12 
3468 H HD13 . ILE   B 110 ? 0.47191  0.448636 0.385747 0.0298922   0.0687814   0.0418858   122 ILE   A HD13 
3469 N N    . PRO   B 111 ? 0.413227 0.43871  0.311213 0.0859931   0.0645294   0.0414831   123 PRO   A N    
3470 C CA   . PRO   B 111 ? 0.421095 0.473145 0.328015 0.102918    0.0617905   0.0431385   123 PRO   A CA   
3471 C C    . PRO   B 111 ? 0.347798 0.430201 0.273989 0.0952904   0.0587962   0.028867    123 PRO   A C    
3472 O O    . PRO   B 111 ? 0.386647 0.459276 0.313577 0.0791151   0.0608092   0.0181304   123 PRO   A O    
3473 C CB   . PRO   B 111 ? 0.506366 0.524828 0.40858  0.11719     0.070233    0.0497799   123 PRO   A CB   
3474 C CG   . PRO   B 111 ? 0.504264 0.475015 0.393436 0.102559    0.0740848   0.0468852   123 PRO   A CG   
3475 C CD   . PRO   B 111 ? 0.46676  0.447198 0.358942 0.0816135   0.0698659   0.0417214   123 PRO   A CD   
3476 H HA   . PRO   B 111 ? 0.426448 0.495023 0.329676 0.110409    0.0567448   0.0503659   123 PRO   A HA   
3477 H HB2  . PRO   B 111 ? 0.486356 0.513824 0.397756 0.122844    0.0732828   0.0444812   123 PRO   A HB2  
3478 H HB3  . PRO   B 111 ? 0.507195 0.524372 0.40537  0.130059    0.0696325   0.0614831   123 PRO   A HB3  
3479 H HG2  . PRO   B 111 ? 0.509533 0.464806 0.39616  0.102071    0.0774264   0.0388143   123 PRO   A HG2  
3480 H HG3  . PRO   B 111 ? 0.526259 0.47346  0.407736 0.10782     0.0757468   0.0570943   123 PRO   A HG3  
3481 H HD2  . PRO   B 111 ? 0.448894 0.42437  0.343183 0.0716387   0.0693728   0.031429    123 PRO   A HD2  
3482 H HD3  . PRO   B 111 ? 0.468956 0.431815 0.357264 0.0769109   0.0707902   0.0496147   123 PRO   A HD3  
3483 N N    . SER   B 112 ? 0.360895 0.479405 0.304607 0.107735    0.0533619   0.031977    124 SER   A N    
3484 C CA   . SER   B 112 ? 0.359841 0.512626 0.331972 0.103349    0.0517807   0.0240047   124 SER   A CA   
3485 C C    . SER   B 112 ? 0.365885 0.493673 0.338202 0.102351    0.068545    0.0193404   124 SER   A C    
3486 O O    . SER   B 112 ? 0.420008 0.515352 0.377476 0.115759    0.078692    0.0243689   124 SER   A O    
3487 C CB   . SER   B 112 ? 0.459609 0.651909 0.454777 0.121396    0.0437408   0.033854    124 SER   A CB   
3488 O OG   . SER   B 112 ? 0.536367 0.766101 0.568695 0.116573    0.0437105   0.0294369   124 SER   A OG   
3489 H H    . SER   B 112 ? 0.377814 0.501245 0.317876 0.119768    0.0500108   0.0413083   124 SER   A H    
3490 H HA   . SER   B 112 ? 0.357595 0.521775 0.332183 0.0895229   0.044711    0.0160755   124 SER   A HA   
3491 H HB2  . SER   B 112 ? 0.456448 0.66147  0.4451   0.121316    0.0311089   0.0357251   124 SER   A HB2  
3492 H HB3  . SER   B 112 ? 0.469059 0.647888 0.460508 0.136942    0.0509509   0.0424062   124 SER   A HB3  
3494 N N    . ASN   B 113 ? 0.333519 0.472851 0.318342 0.0870733   0.070709    0.00988477  125 ASN   A N    
3495 C CA   . ASN   B 113 ? 0.351483 0.475314 0.335225 0.0883145   0.0872588   0.00686843  125 ASN   A CA   
3496 C C    . ASN   B 113 ? 0.375236 0.439659 0.320004 0.0870615   0.093693    0.00305418  125 ASN   A C    
3497 O O    . ASN   B 113 ? 0.417106 0.455846 0.346816 0.0984633   0.107963    0.00211098  125 ASN   A O    
3498 C CB   . ASN   B 113 ? 0.37916  0.533229 0.390178 0.108713    0.0980474   0.0154116   125 ASN   A CB   
3499 C CG   . ASN   B 113 ? 0.317025 0.532724 0.37439  0.104198    0.0871637   0.0189989   125 ASN   A CG   
3500 O OD1  . ASN   B 113 ? 0.376375 0.624654 0.459158 0.121797    0.0831603   0.0293084   125 ASN   A OD1  
3501 N ND2  . ASN   B 113 ? 0.316047 0.548243 0.388852 0.0823306   0.0825525   0.0120369   125 ASN   A ND2  
3502 H H    . ASN   B 113 ? 0.32595  0.481484 0.317836 0.0757266   0.0619059   0.00530584  125 ASN   A H    
3503 H HA   . ASN   B 113 ? 0.33964  0.474045 0.332174 0.0745291   0.086054    0.00150439  125 ASN   A HA   
3504 H HB2  . ASN   B 113 ? 0.380759 0.524722 0.384431 0.124069    0.098869    0.0213764   125 ASN   A HB2  
3505 H HB3  . ASN   B 113 ? 0.374846 0.51683  0.381058 0.111142    0.112053    0.0136461   125 ASN   A HB3  
3506 H HD21 . ASN   B 113 ? 0.302783 0.568291 0.402913 0.0772527   0.0734976   0.0132176   125 ASN   A HD21 
3507 H HD22 . ASN   B 113 ? 0.309463 0.518764 0.366102 0.0724553   0.087602    0.00647637  125 ASN   A HD22 
3508 N N    . ALA   B 114 ? 0.372252 0.417326 0.302822 0.0718643   0.0832383   -0.00017909 126 ALA   A N    
3509 C CA   . ALA   B 114 ? 0.37157  0.365616 0.273995 0.0664605   0.08332     -0.00255714 126 ALA   A CA   
3510 C C    . ALA   B 114 ? 0.391526 0.36747  0.282297 0.0514201   0.0841169   -0.0119911  126 ALA   A C    
3511 O O    . ALA   B 114 ? 0.392663 0.390693 0.297059 0.0376873   0.0798473   -0.0158137  126 ALA   A O    
3512 C CB   . ALA   B 114 ? 0.378278 0.365631 0.279062 0.0588891   0.0738087   0.00254573  126 ALA   A CB   
3513 H H    . ALA   B 114 ? 0.350019 0.414822 0.290065 0.0646804   0.0754109   -0.00083149 126 ALA   A H    
3514 H HA   . ALA   B 114 ? 0.405579 0.378986 0.296725 0.0790306   0.089425    -0.00023545 126 ALA   A HA   
3515 H HB1  . ALA   B 114 ? 0.380317 0.375913 0.283921 0.0694519   0.0738476   0.0099961   126 ALA   A HB1  
3516 H HB2  . ALA   B 114 ? 0.354641 0.360379 0.264247 0.0489612   0.0691392   -0.00037663 126 ALA   A HB2  
3517 H HB3  . ALA   B 114 ? 0.38751  0.3432   0.275595 0.0537244   0.072415    0.00217171  126 ALA   A HB3  
3518 N N    . THR   B 115 ? 0.41211  0.341808 0.272788 0.0555511   0.0883995   -0.0157062  127 THR   A N    
3519 C CA   . THR   B 115 ? 0.433785 0.334969 0.272816 0.0418082   0.0844428   -0.023383   127 THR   A CA   
3520 C C    . THR   B 115 ? 0.423531 0.296169 0.256928 0.0272509   0.0678003   -0.0231173  127 THR   A C    
3521 O O    . THR   B 115 ? 0.47236  0.321456 0.300207 0.0316395   0.0642671   -0.0191467  127 THR   A O    
3522 C CB   . THR   B 115 ? 0.464591 0.328183 0.267131 0.0542925   0.0957755   -0.0288404  127 THR   A CB   
3523 O OG1  . THR   B 115 ? 0.493166 0.392929 0.31162  0.0662035   0.114059    -0.0257756  127 THR   A OG1  
3524 C CG2  . THR   B 115 ? 0.513176 0.3423   0.283805 0.0415155   0.0889088   -0.0362052  127 THR   A CG2  
3525 H H    . THR   B 115 ? 0.439065 0.352795 0.290365 0.0677833   0.0927527   -0.0136061  127 THR   A H    
3526 H HA   . THR   B 115 ? 0.406184 0.330644 0.258257 0.0340283   0.0847556   -0.0243237  127 THR   A HA   
3527 H HB   . THR   B 115 ? 0.5042   0.342419 0.293107 0.0638911   0.0961597   -0.028869   127 THR   A HB   
3529 H HG21 . THR   B 115 ? 0.541344 0.343027 0.281985 0.0515545   0.0967972   -0.0403231  127 THR   A HG21 
3530 H HG22 . THR   B 115 ? 0.48435  0.336856 0.267671 0.0341281   0.0907785   -0.0350443  127 THR   A HG22 
3531 H HG23 . THR   B 115 ? 0.506465 0.316487 0.273313 0.03118     0.074436    -0.0373572  127 THR   A HG23 
3532 N N    . LEU   B 116 ? 0.403362 0.280685 0.243061 0.0104334   0.0585763   -0.025531   128 LEU   A N    
3533 C CA   . LEU   B 116 ? 0.400804 0.263929 0.248878 -0.00437048 0.0432398   -0.0226227  128 LEU   A CA   
3534 C C    . LEU   B 116 ? 0.458039 0.283225 0.281002 -0.0146381  0.0310208   -0.0286862  128 LEU   A C    
3535 O O    . LEU   B 116 ? 0.436201 0.258697 0.241353 -0.0145071  0.0347089   -0.0338119  128 LEU   A O    
3536 C CB   . LEU   B 116 ? 0.392117 0.293328 0.271825 -0.0127653  0.0412606   -0.0189262  128 LEU   A CB   
3537 C CG   . LEU   B 116 ? 0.45395  0.380795 0.351937 -0.0058863  0.0463433   -0.0110443  128 LEU   A CG   
3538 C CD1  . LEU   B 116 ? 0.471399 0.417957 0.366993 0.00881684  0.0556392   -0.0114046  128 LEU   A CD1  
3539 C CD2  . LEU   B 116 ? 0.413949 0.369243 0.333127 -0.0128612  0.0450669   -0.0103145  128 LEU   A CD2  
3540 H H    . LEU   B 116 ? 0.395709 0.286417 0.237451 0.00814629  0.0622129   -0.0278976  128 LEU   A H    
3541 H HA   . LEU   B 116 ? 0.423024 0.273004 0.270788 -0.00122815 0.0417625   -0.0185086  128 LEU   A HA   
3542 H HB2  . LEU   B 116 ? 0.38874  0.306552 0.270973 -0.0129743  0.0451266   -0.0226528  128 LEU   A HB2  
3543 H HB3  . LEU   B 116 ? 0.400361 0.291874 0.285074 -0.0226535  0.0323819   -0.0178433  128 LEU   A HB3  
3544 H HG   . LEU   B 116 ? 0.452215 0.361929 0.349302 -0.00620127 0.04386     -0.0052987  128 LEU   A HG   
3545 H HD11 . LEU   B 116 ? 0.483993 0.411636 0.367826 0.0163689   0.0581407   -0.00976504 128 LEU   A HD11 
3546 H HD12 . LEU   B 116 ? 0.454206 0.42129  0.359752 0.0123003   0.0567071   -0.00733433 128 LEU   A HD12 
3547 H HD13 . LEU   B 116 ? 0.457241 0.41505  0.353534 0.00808584  0.0580578   -0.0166575  128 LEU   A HD13 
3548 H HD21 . LEU   B 116 ? 0.417637 0.362671 0.342915 -0.0213418  0.0393963   -0.00879423 128 LEU   A HD21 
3549 H HD22 . LEU   B 116 ? 0.407352 0.376658 0.327799 -0.0134064  0.0463778   -0.0162145  128 LEU   A HD22 
3550 H HD23 . LEU   B 116 ? 0.413752 0.38217  0.338553 -0.00762691 0.0486841   -0.00508864 128 LEU   A HD23 
3551 N N    . PHE   B 117 ? 0.446798 0.243818 0.270867 -0.0250953  0.0146929   -0.0261535  129 PHE   A N    
3552 C CA   . PHE   B 117 ? 0.485492 0.249223 0.291449 -0.0376438  -0.00455058 -0.0305285  129 PHE   A CA   
3553 C C    . PHE   B 117 ? 0.452381 0.235339 0.300066 -0.0535774  -0.0186562  -0.0214588  129 PHE   A C    
3554 O O    . PHE   B 117 ? 0.474588 0.270798 0.353535 -0.0563702  -0.0173306  -0.0116867  129 PHE   A O    
3555 C CB   . PHE   B 117 ? 0.526038 0.23327  0.294973 -0.035293   -0.014208   -0.0368759  129 PHE   A CB   
3556 C CG   . PHE   B 117 ? 0.575794 0.246173 0.325758 -0.0507872  -0.0414517  -0.0415949  129 PHE   A CG   
3557 C CD1  . PHE   B 117 ? 0.619031 0.285046 0.402566 -0.0687419  -0.0634789  -0.0339907  129 PHE   A CD1  
3558 C CD2  . PHE   B 117 ? 0.620984 0.26011  0.319859 -0.0473699  -0.0461776  -0.0519456  129 PHE   A CD2  
3559 C CE1  . PHE   B 117 ? 0.704796 0.341992 0.477392 -0.0841028  -0.0932745  -0.0371673  129 PHE   A CE1  
3560 C CE2  . PHE   B 117 ? 0.703546 0.306382 0.380469 -0.0611584  -0.0759229  -0.0561052  129 PHE   A CE2  
3561 C CZ   . PHE   B 117 ? 0.69251  0.293937 0.406857 -0.0798475  -0.10159    -0.0495152  129 PHE   A CZ   
3562 H H    . PHE   B 117 ? 0.452329 0.252017 0.290411 -0.0246675  0.0148443   -0.0204885  129 PHE   A H    
3563 H HA   . PHE   B 117 ? 0.481933 0.246501 0.272074 -0.0362207  -0.00181286 -0.0347983  129 PHE   A HA   
3564 H HB2  . PHE   B 117 ? 0.551945 0.247323 0.29284  -0.0226802  -0.00276136 -0.0428533  129 PHE   A HB2  
3565 H HB3  . PHE   B 117 ? 0.531768 0.237545 0.317078 -0.0359585  -0.0147243  -0.0314838  129 PHE   A HB3  
3566 H HD1  . PHE   B 117 ? 0.594008 0.281609 0.411299 -0.0706744  -0.058016   -0.0250797  129 PHE   A HD1  
3567 H HD2  . PHE   B 117 ? 0.632972 0.275356 0.311202 -0.0352112  -0.0292735  -0.0553624  129 PHE   A HD2  
3568 H HE1  . PHE   B 117 ? 0.676107 0.314291 0.478101 -0.097027   -0.108626   -0.0306031  129 PHE   A HE1  
3569 H HE2  . PHE   B 117 ? 0.723287 0.303252 0.359829 -0.0575267  -0.0787174  -0.0625609  129 PHE   A HE2  
3570 H HZ   . PHE   B 117 ? 0.732883 0.312969 0.436192 -0.0899121  -0.124511   -0.0516799  129 PHE   A HZ   
3571 N N    . PHE   B 118 ? 0.476255 0.25901  0.324979 -0.0629414  -0.031513   -0.0224783  130 PHE   A N    
3572 C CA   . PHE   B 118 ? 0.469999 0.265886 0.358564 -0.0765963  -0.0472721  -0.0133179  130 PHE   A CA   
3573 C C    . PHE   B 118 ? 0.516956 0.281018 0.389561 -0.0884472  -0.0752102  -0.0156475  130 PHE   A C    
3574 O O    . PHE   B 118 ? 0.507526 0.250921 0.339099 -0.0852794  -0.0789036  -0.0233503  130 PHE   A O    
3575 C CB   . PHE   B 118 ? 0.414755 0.254208 0.335075 -0.0746165  -0.0364272  -0.00895655 130 PHE   A CB   
3576 C CG   . PHE   B 118 ? 0.405919 0.280409 0.344556 -0.0645759  -0.0139545  -0.00651711 130 PHE   A CG   
3577 C CD1  . PHE   B 118 ? 0.390143 0.273196 0.307739 -0.0539906  0.00109344  -0.0139477  130 PHE   A CD1  
3578 C CD2  . PHE   B 118 ? 0.384858 0.284432 0.361889 -0.0655509  -0.00849229 0.00448716  130 PHE   A CD2  
3579 C CE1  . PHE   B 118 ? 0.338989 0.253216 0.270453 -0.0453063  0.0163026   -0.0124764  130 PHE   A CE1  
3580 C CE2  . PHE   B 118 ? 0.361486 0.289013 0.34418  -0.054598   0.0106029   0.00571659  130 PHE   A CE2  
3581 C CZ   . PHE   B 118 ? 0.369813 0.302247 0.328267 -0.0452155  0.0199477   -0.00330909 130 PHE   A CZ   
3582 H H    . PHE   B 118 ? 0.481429 0.256549 0.306811 -0.0599524  -0.0297305  -0.027705   130 PHE   A H    
3583 H HA   . PHE   B 118 ? 0.466951 0.264879 0.375332 -0.079399   -0.0476672  -0.00714523 130 PHE   A HA   
3584 H HB2  . PHE   B 118 ? 0.426225 0.261762 0.327893 -0.0726478  -0.0357009  -0.0140202  130 PHE   A HB2  
3585 H HB3  . PHE   B 118 ? 0.417671 0.264715 0.364614 -0.0820348  -0.0465985  -0.00242866 130 PHE   A HB3  
3586 H HD1  . PHE   B 118 ? 0.400427 0.268831 0.294393 -0.0524918  0.00066495  -0.0194006  130 PHE   A HD1  
3587 H HD2  . PHE   B 118 ? 0.388299 0.286463 0.386645 -0.0731972  -0.0176695  0.0115533   130 PHE   A HD2  
3588 H HE1  . PHE   B 118 ? 0.351401 0.273663 0.272868 -0.0391277  0.0239326   -0.0168765  130 PHE   A HE1  
3589 H HE2  . PHE   B 118 ? 0.357789 0.299991 0.360644 -0.0536417  0.0163663   0.0137226   130 PHE   A HE2  
3590 H HZ   . PHE   B 118 ? 0.345888 0.296657 0.307248 -0.0384482  0.0292809   -0.00281271 130 PHE   A HZ   
3591 N N    . GLU   B 119 ? 0.50784  0.274776 0.418981 -0.102199   -0.0942843  -0.00619761 131 GLU   A N    
3592 C CA   . GLU   B 119 ? 0.522779 0.2788   0.441697 -0.114957   -0.124106   -0.0033675  131 GLU   A CA   
3593 C C    . GLU   B 119 ? 0.492719 0.29875  0.471776 -0.11603    -0.118463   0.00986267  131 GLU   A C    
3594 O O    . GLU   B 119 ? 0.494837 0.33105  0.520993 -0.116906   -0.106443   0.0207082   131 GLU   A O    
3595 C CB   . GLU   B 119 ? 0.534951 0.257479 0.459043 -0.130693   -0.152632   -0.00192805 131 GLU   A CB   
3596 C CG   . GLU   B 119 ? 0.60345  0.309954 0.532504 -0.145673   -0.191807   0.00022672  131 GLU   A CG   
3597 C CD   . GLU   B 119 ? 0.639064 0.308377 0.572301 -0.163542   -0.222573   -0.0004172  131 GLU   A CD   
3598 O OE1  . GLU   B 119 ? 0.692793 0.302363 0.560072 -0.163937   -0.238399   -0.0167318  131 GLU   A OE1  
3599 O OE2  . GLU   B 119 ? 0.642205 0.337309 0.644926 -0.178364   -0.231988   0.0154908   131 GLU   A OE2  
3600 H H    . GLU   B 119 ? 0.498659 0.276108 0.434692 -0.103841   -0.0890122  0.00017977  131 GLU   A H    
3601 H HA   . GLU   B 119 ? 0.540266 0.277892 0.421118 -0.111278   -0.128004   -0.010736   131 GLU   A HA   
3602 H HB2  . GLU   B 119 ? 0.579906 0.268535 0.462974 -0.126968   -0.151926   -0.0116995  131 GLU   A HB2  
3603 H HB3  . GLU   B 119 ? 0.530133 0.272878 0.495713 -0.135067   -0.147167   0.00791627  131 GLU   A HB3  
3604 H HG2  . GLU   B 119 ? 0.562836 0.30413  0.537811 -0.14852    -0.192672   0.0112969   131 GLU   A HG2  
3605 H HG3  . GLU   B 119 ? 0.61453  0.299475 0.498528 -0.140671   -0.197073   -0.00835645 131 GLU   A HG3  
3606 N N    . ILE   B 120 ? 0.514848 0.324639 0.490584 -0.115609   -0.128741   0.0103241   132 ILE   A N    
3607 C CA   . ILE   B 120 ? 0.448341 0.300198 0.476385 -0.112708   -0.12189    0.0212825   132 ILE   A CA   
3608 C C    . ILE   B 120 ? 0.473546 0.320765 0.519    -0.121158   -0.153438   0.029031    132 ILE   A C    
3609 O O    . ILE   B 120 ? 0.504997 0.320204 0.503366 -0.121994   -0.170223   0.0227031   132 ILE   A O    
3610 C CB   . ILE   B 120 ? 0.430981 0.295169 0.439178 -0.0992579  -0.0971446  0.0144121   132 ILE   A CB   
3611 C CG1  . ILE   B 120 ? 0.421972 0.290045 0.408792 -0.0908772  -0.0710917  0.00612586  132 ILE   A CG1  
3612 C CG2  . ILE   B 120 ? 0.442598 0.341386 0.498101 -0.0938736  -0.0899099  0.023027    132 ILE   A CG2  
3613 C CD1  . ILE   B 120 ? 0.419491 0.296458 0.387188 -0.0816282  -0.0524526  -0.00125522 132 ILE   A CD1  
3614 H H    . ILE   B 120 ? 0.529681 0.313436 0.468041 -0.115908   -0.139469   0.00407944  132 ILE   A H    
3615 H HA   . ILE   B 120 ? 0.437227 0.311303 0.50185  -0.113383   -0.113132   0.0285833   132 ILE   A HA   
3616 H HB   . ILE   B 120 ? 0.458692 0.301443 0.433545 -0.0993737  -0.10523    0.00983124  132 ILE   A HB   
3617 H HG12 . ILE   B 120 ? 0.406017 0.293965 0.420844 -0.0896183  -0.0620475  0.0111978   132 ILE   A HG12 
3618 H HG13 . ILE   B 120 ? 0.445457 0.289664 0.403673 -0.0926308  -0.0758188  0.00126253  132 ILE   A HG13 
3619 H HG21 . ILE   B 120 ? 0.419117 0.322199 0.461704 -0.0867326  -0.0753264  0.0175126   132 ILE   A HG21 
3620 H HG22 . ILE   B 120 ? 0.414555 0.334579 0.503878 -0.0932892  -0.0823609  0.0293045   132 ILE   A HG22 
3621 H HG23 . ILE   B 120 ? 0.442441 0.336688 0.507037 -0.097459   -0.107311   0.0282176   132 ILE   A HG23 
3622 H HD11 . ILE   B 120 ? 0.431737 0.29324  0.379797 -0.0831629  -0.0604452  -0.0026306  132 ILE   A HD11 
3623 H HD12 . ILE   B 120 ? 0.414611 0.289459 0.363678 -0.0773965  -0.040986   -0.00671148 132 ILE   A HD12 
3624 H HD13 . ILE   B 120 ? 0.394763 0.294228 0.388597 -0.0781954  -0.0440601  0.00136457  132 ILE   A HD13 
3625 N N    . GLU   B 121 ? 0.450666 0.332996 0.56453  -0.125107   -0.158488   0.0443246   133 GLU   A N    
3626 C CA   . GLU   B 121 ? 0.502302 0.392179 0.645885 -0.129262   -0.185815   0.0548057   133 GLU   A CA   
3627 C C    . GLU   B 121 ? 0.481007 0.40707  0.660952 -0.114401   -0.164303   0.0617874   133 GLU   A C    
3628 O O    . GLU   B 121 ? 0.419395 0.380009 0.643245 -0.107908   -0.139925   0.0683884   133 GLU   A O    
3629 C CB   . GLU   B 121 ? 0.484375 0.387367 0.686265 -0.145604   -0.211616   0.0689028   133 GLU   A CB   
3630 C CG   . GLU   B 121 ? 0.508541 0.431398 0.761109 -0.150115   -0.242102   0.0842495   133 GLU   A CG   
3631 C CD   . GLU   B 121 ? 0.519598 0.465502 0.846781 -0.168197   -0.268456   0.101745    133 GLU   A CD   
3632 O OE1  . GLU   B 121 ? 0.533763 0.484558 0.882528 -0.177457   -0.257251   0.104731    133 GLU   A OE1  
3633 O OE2  . GLU   B 121 ? 0.546673 0.505631 0.914179 -0.174571   -0.302568   0.114293    133 GLU   A OE2  
3634 H H    . GLU   B 121 ? 0.440352 0.343277 0.583878 -0.124291   -0.144252   0.0495715   133 GLU   A H    
3635 H HA   . GLU   B 121 ? 0.519182 0.37991  0.619798 -0.130702   -0.201768   0.0484019   133 GLU   A HA   
3636 H HB2  . GLU   B 121 ? 0.523103 0.395616 0.695592 -0.155376   -0.227779   0.0622407   133 GLU   A HB2  
3637 H HB3  . GLU   B 121 ? 0.469719 0.398834 0.708915 -0.144125   -0.192494   0.0758525   133 GLU   A HB3  
3638 H HG2  . GLU   B 121 ? 0.481018 0.430206 0.758839 -0.138186   -0.224932   0.0899065   133 GLU   A HG2  
3639 H HG3  . GLU   B 121 ? 0.535294 0.429723 0.746937 -0.15177    -0.263158   0.0781972   133 GLU   A HG3  
3640 N N    . LEU   B 122 ? 0.484945 0.398476 0.643358 -0.108538   -0.17425    0.0609564   134 LEU   A N    
3641 C CA   . LEU   B 122 ? 0.456113 0.394851 0.64562  -0.0936631  -0.156594   0.0665214   134 LEU   A CA   
3642 C C    . LEU   B 122 ? 0.457857 0.425295 0.717473 -0.0951119  -0.177857   0.0857382   134 LEU   A C    
3643 O O    . LEU   B 122 ? 0.496511 0.44816  0.74984  -0.101223   -0.21175    0.0917118   134 LEU   A O    
3644 C CB   . LEU   B 122 ? 0.464687 0.375991 0.603838 -0.0864667  -0.154524   0.0593757   134 LEU   A CB   
3645 C CG   . LEU   B 122 ? 0.437412 0.364597 0.605825 -0.0712439  -0.139881   0.0644223   134 LEU   A CG   
3646 C CD1  . LEU   B 122 ? 0.397314 0.35321  0.59412  -0.0610604  -0.10552    0.0593334   134 LEU   A CD1  
3647 C CD2  . LEU   B 122 ? 0.490773 0.3842   0.604202 -0.0683741  -0.13714    0.0578619   134 LEU   A CD2  
3648 H H    . LEU   B 122 ? 0.513536 0.399647 0.634934 -0.113089   -0.191947   0.0570255   134 LEU   A H    
3649 H HA   . LEU   B 122 ? 0.431381 0.387613 0.63358  -0.0874164  -0.131747   0.0638275   134 LEU   A HA   
3650 H HB2  . LEU   B 122 ? 0.45979  0.358306 0.562111 -0.0862634  -0.139698   0.0485654   134 LEU   A HB2  
3651 H HB3  . LEU   B 122 ? 0.491398 0.382258 0.609713 -0.0920491  -0.178308   0.0620955   134 LEU   A HB3  
3652 H HG   . LEU   B 122 ? 0.451403 0.39003  0.655187 -0.0697518  -0.155752   0.0762673   134 LEU   A HG   
3653 H HD11 . LEU   B 122 ? 0.38987  0.369505 0.62825  -0.0608048  -0.105907   0.0678498   134 LEU   A HD11 
3654 H HD12 . LEU   B 122 ? 0.397936 0.354079 0.598752 -0.0511909  -0.0948361  0.0579033   134 LEU   A HD12 
3655 H HD13 . LEU   B 122 ? 0.392442 0.341504 0.560805 -0.0641478  -0.094042   0.0494748   134 LEU   A HD13 
3656 H HD21 . LEU   B 122 ? 0.507324 0.380345 0.5949   -0.0741392  -0.15742    0.061081    134 LEU   A HD21 
3657 H HD22 . LEU   B 122 ? 0.472175 0.359504 0.558847 -0.0692465  -0.120264   0.0473899   134 LEU   A HD22 
3658 H HD23 . LEU   B 122 ? 0.479675 0.377386 0.610931 -0.0596562  -0.131843   0.0617528   134 LEU   A HD23 
3659 N N    . LEU   B 123 ? 0.3922   0.402245 0.716981 -0.0880734  -0.157342   0.096376    135 LEU   A N    
3660 C CA   . LEU   B 123 ? 0.454523 0.501842 0.859436 -0.0871771  -0.171583   0.117738    135 LEU   A CA   
3661 C C    . LEU   B 123 ? 0.445445 0.501022 0.868243 -0.0683547  -0.167983   0.123419    135 LEU   A C    
3662 O O    . LEU   B 123 ? 0.492567 0.556181 0.950128 -0.069064   -0.197756   0.137838    135 LEU   A O    
3663 C CB   . LEU   B 123 ? 0.393313 0.482079 0.855785 -0.0843613  -0.142902   0.128       135 LEU   A CB   
3664 C CG   . LEU   B 123 ? 0.420765 0.499545 0.870621 -0.102784   -0.145568   0.125449    135 LEU   A CG   
3665 C CD1  . LEU   B 123 ? 0.412206 0.527932 0.908569 -0.0978396  -0.111558   0.136984    135 LEU   A CD1  
3666 C CD2  . LEU   B 123 ? 0.418782 0.484983 0.885895 -0.125959   -0.193015   0.133221    135 LEU   A CD2  
3667 H H    . LEU   B 123 ? 0.397847 0.414921 0.716815 -0.0826522  -0.132452   0.0907681   135 LEU   A H    
3668 H HA   . LEU   B 123 ? 0.452346 0.491346 0.862182 -0.100442   -0.202279   0.12274     135 LEU   A HA   
3669 H HB2  . LEU   B 123 ? 0.392373 0.485965 0.843122 -0.0703496  -0.114016   0.121663    135 LEU   A HB2  
3670 H HB3  . LEU   B 123 ? 0.40544  0.523528 0.927836 -0.0830923  -0.14995    0.144194    135 LEU   A HB3  
3671 H HG   . LEU   B 123 ? 0.414634 0.464686 0.805936 -0.102734   -0.139733   0.109852    135 LEU   A HG   
3672 H HD11 . LEU   B 123 ? 0.395859 0.51742  0.878093 -0.082003   -0.0846171  0.13117     135 LEU   A HD11 
3673 H HD12 . LEU   B 123 ? 0.411541 0.514423 0.889939 -0.108041   -0.111303   0.133799    135 LEU   A HD12 
3674 H HD13 . LEU   B 123 ? 0.40683  0.552709 0.965    -0.0997233  -0.11643    0.154219    135 LEU   A HD13 
3675 H HD21 . LEU   B 123 ? 0.447922 0.48049  0.863969 -0.129159   -0.21119    0.122008    135 LEU   A HD21 
3676 H HD22 . LEU   B 123 ? 0.428281 0.520777 0.950009 -0.125728   -0.205149   0.147991    135 LEU   A HD22 
3677 H HD23 . LEU   B 123 ? 0.43044  0.494792 0.904559 -0.137459   -0.193385   0.134959    135 LEU   A HD23 
3678 N N    . ASP   B 124 ? 0.4073   0.45793  0.804803 -0.0514955  -0.133346   0.111682    136 ASP   A N    
3679 C CA   . ASP   B 124 ? 0.414705 0.47026  0.832913 -0.0315161  -0.125419   0.116482    136 ASP   A CA   
3680 C C    . ASP   B 124 ? 0.404556 0.437799 0.773203 -0.0192881  -0.0935337  0.0970114   136 ASP   A C    
3681 O O    . ASP   B 124 ? 0.395013 0.425374 0.733687 -0.0227786  -0.073257   0.0838331   136 ASP   A O    
3682 C CB   . ASP   B 124 ? 0.389764 0.494338 0.894125 -0.017255   -0.112862   0.135354    136 ASP   A CB   
3683 C CG   . ASP   B 124 ? 0.421543 0.532325 0.962004 0.00257353  -0.118477   0.146967    136 ASP   A CG   
3684 O OD1  . ASP   B 124 ? 0.42429  0.498978 0.923599 0.00298651  -0.137727   0.142935    136 ASP   A OD1  
3685 O OD2  . ASP   B 124 ? 0.473579 0.626666 1.08748  0.0179598   -0.104399   0.163193    136 ASP   A OD2  
3686 H H    . ASP   B 124 ? 0.403699 0.446453 0.771431 -0.0523665  -0.115965   0.10062     136 ASP   A H    
3687 H HA   . ASP   B 124 ? 0.430151 0.469245 0.837227 -0.0345151  -0.1495     0.120504    136 ASP   A HA   
3688 H HB2  . ASP   B 124 ? 0.395352 0.519414 0.935471 -0.0284981  -0.12868    0.14701     136 ASP   A HB2  
3689 H HB3  . ASP   B 124 ? 0.383825 0.499306 0.889776 -0.0085086  -0.0834318  0.130063    136 ASP   A HB3  
3690 N N    . PHE   B 125 ? 0.428293 0.445992 0.793587 -0.00473872 -0.0915984  0.0968531   137 PHE   A N    
3691 C CA   . PHE   B 125 ? 0.391073 0.390688 0.724913 0.00789645  -0.0624447  0.0798446   137 PHE   A CA   
3692 C C    . PHE   B 125 ? 0.421876 0.419919 0.787663 0.0304534   -0.0557828  0.0863474   137 PHE   A C    
3693 O O    . PHE   B 125 ? 0.425378 0.424899 0.820793 0.0343084   -0.078903   0.103256    137 PHE   A O    
3694 C CB   . PHE   B 125 ? 0.426625 0.385596 0.690789 -0.00520838 -0.0679794  0.0652638   137 PHE   A CB   
3695 C CG   . PHE   B 125 ? 0.482831 0.411701 0.721172 -0.0127064  -0.095916   0.0733946   137 PHE   A CG   
3696 C CD1  . PHE   B 125 ? 0.467945 0.371025 0.698385 -0.00257573 -0.0956216  0.0755175   137 PHE   A CD1  
3697 C CD2  . PHE   B 125 ? 0.546974 0.469394 0.766087 -0.0287214  -0.123071   0.079735    137 PHE   A CD2  
3698 C CE1  . PHE   B 125 ? 0.537483 0.410637 0.738599 -0.00857545 -0.119556   0.0857188   137 PHE   A CE1  
3699 C CE2  . PHE   B 125 ? 0.586136 0.476985 0.770551 -0.0334444  -0.147249   0.0872071   137 PHE   A CE2  
3700 C CZ   . PHE   B 125 ? 0.580727 0.44836  0.75599  -0.0234494  -0.144909   0.0916434   137 PHE   A CZ   
3701 H H    . PHE   B 125 ? 0.431028 0.447405 0.813208 -0.00316065 -0.110301   0.107503    137 PHE   A H    
3702 H HA   . PHE   B 125 ? 0.391188 0.406131 0.729408 0.0109475   -0.0426049  0.0741261   137 PHE   A HA   
3703 H HB2  . PHE   B 125 ? 0.429249 0.37691  0.677934 0.00191166  -0.0508937  0.0544053   137 PHE   A HB2  
3704 H HB3  . PHE   B 125 ? 0.414773 0.37677  0.660821 -0.0158338  -0.0670222  0.0599224   137 PHE   A HB3  
3705 H HD1  . PHE   B 125 ? 0.48638  0.388494 0.726649 0.00853855  -0.0784061  0.0695738   137 PHE   A HD1  
3706 H HD2  . PHE   B 125 ? 0.520006 0.455602 0.743866 -0.0362219  -0.124339   0.0781214   137 PHE   A HD2  
3707 H HE1  . PHE   B 125 ? 0.554775 0.408377 0.750474 -0.00181974 -0.11829    0.0885321   137 PHE   A HE1  
3708 H HE2  . PHE   B 125 ? 0.589074 0.471822 0.753631 -0.0433303  -0.165715   0.0896617   137 PHE   A HE2  
3709 H HZ   . PHE   B 125 ? 0.60506  0.450984 0.755793 -0.026015   -0.161086   0.099102    137 PHE   A HZ   
3710 N N    . LYS   B 126 ? 0.417234 0.413156 0.779029 0.0475144   -0.0243509  0.0734081   138 LYS   A N    
3711 C CA   . LYS   B 126 ? 0.491874 0.483042 0.883107 0.0731789   -0.0128631  0.0772116   138 LYS   A CA   
3712 C C    . LYS   B 126 ? 0.488983 0.439069 0.828099 0.0798754   0.00682126  0.0526633   138 LYS   A C    
3713 O O    . LYS   B 126 ? 0.494565 0.440941 0.797433 0.0729877   0.0214273   0.0351818   138 LYS   A O    
3714 C CB   . LYS   B 126 ? 0.46758  0.505775 0.926044 0.0930879   0.00650262  0.0911527   138 LYS   A CB   
3715 H H    . LYS   B 126 ? 0.420388 0.415691 0.758819 0.0442376   -0.0103117  0.061629    138 LYS   A H    
3716 H HA   . LYS   B 126 ? 0.486032 0.467168 0.886138 0.0725304   -0.0326909  0.0877277   138 LYS   A HA   
3719 N N    . GLY   B 127 ? 0.572656 0.490599 0.910935 0.0945828   0.00652947  0.051627    139 GLY   A N    
3720 C CA   . GLY   B 127 ? 0.62995  0.505168 0.924188 0.100476    0.023124    0.027703    139 GLY   A CA   
3721 C C    . GLY   B 127 ? 0.685126 0.570834 0.980066 0.121639    0.0554849   0.012424    139 GLY   A C    
3722 O O    . GLY   B 127 ? 0.682251 0.606578 1.02234  0.13916     0.0698578   0.0248564   139 GLY   A O    
3723 H H    . GLY   B 127 ? 0.574026 0.495051 0.939832 0.100713    -0.00557066 0.0661218   139 GLY   A H    
3724 H HA2  . GLY   B 127 ? 0.623694 0.485327 0.882168 0.0824281   0.0174047   0.018548    139 GLY   A HA2  
3725 H HA3  . GLY   B 127 ? 0.657516 0.507595 0.955007 0.108638    0.0180799   0.0308838   139 GLY   A HA3  
3726 N N    . GLU   B 128 ? 0.811551 0.665554 1.05467  0.1177      0.0660028   -0.013569   140 GLU   A N    
3727 C CA   . GLU   B 128 ? 0.890832 0.743395 1.11657  0.138051    0.094512    -0.0320286  140 GLU   A CA   
3728 C C    . GLU   B 128 ? 0.911483 0.744005 1.15938  0.171874    0.110704    -0.0321991  140 GLU   A C    
3729 O O    . GLU   B 128 ? 1.01605  0.853667 1.25783  0.196376    0.138946    -0.0422831  140 GLU   A O    
3730 C CB   . GLU   B 128 ? 0.896227 0.717491 1.06013  0.122613    0.0935181   -0.0596916  140 GLU   A CB   
3731 O OXT  . GLU   B 128 ? 0.963978 0.776007 1.23375  0.175182    0.0959658   -0.0207221  140 GLU   A OXT  
3732 H H    . GLU   B 128 ? 0.793403 0.625543 1.01019  0.101796    0.0544006   -0.0196931  140 GLU   A H    
3733 H HA   . GLU   B 128 ? 0.850186 0.738504 1.09293  0.140403    0.10366     -0.0240419  140 GLU   A HA   
3736 C C4   . A1INT C .   ? 0.43483  0.476146 0.432586 -0.0969877  0.0860213   0.0625905   201 A1INT B C4   
3737 C C14  . A1INT C .   ? 0.653154 0.611295 0.610128 -0.140697   0.0376168   0.126524    201 A1INT B C14  
3738 C C5   . A1INT C .   ? 0.407691 0.455412 0.412855 -0.114524   0.0945023   0.0777954   201 A1INT B C5   
3739 C C6   . A1INT C .   ? 0.514206 0.551366 0.479927 -0.12865    0.105753    0.0909583   201 A1INT B C6   
3740 C C11  . A1INT C .   ? 0.683217 0.689823 0.706661 -0.183056   0.0807969   0.142725    201 A1INT B C11  
3741 C C7   . A1INT C .   ? 0.502542 0.524568 0.420279 -0.124997   0.108448    0.0872051   201 A1INT B C7   
3742 C C8   . A1INT C .   ? 0.631682 0.614415 0.485065 -0.149753   0.097199    0.119648    201 A1INT B C8   
3743 C C9   . A1INT C .   ? 0.612623 0.669458 0.633844 -0.155889   0.11168     0.111299    201 A1INT B C9   
3744 C C10  . A1INT C .   ? 0.647404 0.691368 0.664547 -0.181936   0.113264    0.134747    201 A1INT B C10  
3745 C C12  . A1INT C .   ? 0.718226 0.699439 0.742958 -0.207267   0.0741024   0.165367    201 A1INT B C12  
3746 C C13  . A1INT C .   ? 0.624992 0.601934 0.621496 -0.147655   0.0469317   0.12434     201 A1INT B C13  
3747 N N1   . A1INT C .   ? 0.625917 0.604926 0.610524 -0.168194   0.0639836   0.140705    201 A1INT B N1   
3748 N N2   . A1INT C .   ? 0.73651  0.684377 0.654304 -0.155957   0.0484223   0.143469    201 A1INT B N2   
3749 C C3   . A1INT C .   ? 0.459878 0.486017 0.412809 -0.094909   0.0897586   0.0591456   201 A1INT B C3   
3750 N N3   . A1INT C .   ? 0.669922 0.63012  0.602757 -0.173241   0.066529    0.152705    201 A1INT B N3   
3751 C C1   . A1INT C .   ? 0.497978 0.491306 0.359111 -0.0954485  0.0918251   0.0506894   201 A1INT B C1   
3752 O O1   . A1INT C .   ? 0.523646 0.523398 0.388441 -0.108893   0.0998438   0.0673984   201 A1INT B O1   
3753 C C2   . A1INT C .   ? 0.460422 0.477368 0.373648 -0.108303   0.0998834   0.0702702   201 A1INT B C2   
3754 O O2   . A1INT C .   ? 0.579274 0.588862 0.450209 -0.139195   0.118187    0.100146    201 A1INT B O2   
3755 O O3   . A1INT C .   ? 0.578986 0.618839 0.548292 -0.148876   0.114604    0.108722    201 A1INT B O3   
3756 C C15  . A1INT C .   ? 0.53788  0.490761 0.493143 -0.121397   0.0196922   0.112839    201 A1INT B C15  
3757 C C16  . A1INT C .   ? 0.549437 0.510063 0.472611 -0.115595   0.0289434   0.103384    201 A1INT B C16  
3758 C C17  . A1INT C .   ? 0.467977 0.435764 0.402121 -0.098966   0.020624    0.0847964   201 A1INT B C17  
3759 O O4   . A1INT C .   ? 0.411403 0.395239 0.385733 -0.0907839  0.0239705   0.0726639   201 A1INT B O4   
3760 C C18  . A1INT C .   ? 0.4267   0.410804 0.41789  -0.0781372  0.0106649   0.0614838   201 A1INT B C18  
3761 O O5   . A1INT C .   ? 0.394017 0.369249 0.374961 -0.0731676  -0.00308639 0.0606485   201 A1INT B O5   
3762 C C19  . A1INT C .   ? 0.344463 0.344844 0.368184 -0.0710775  0.0157948   0.0500971   201 A1INT B C19  
3763 C C20  . A1INT C .   ? 0.363505 0.357813 0.414381 -0.0676335  -0.00123755 0.048706    201 A1INT B C20  
3764 C C21  . A1INT C .   ? 0.367915 0.350731 0.426976 -0.0809796  -0.0055449  0.0629604   201 A1INT B C21  
3765 C C22  . A1INT C .   ? 0.418912 0.422457 0.494714 -0.0918328  0.011929    0.0658598   201 A1INT B C22  
3766 C C23  . A1INT C .   ? 0.378808 0.39307  0.428733 -0.0942979  0.0323896   0.0678209   201 A1INT B C23  
3767 N N4   . A1INT C .   ? 0.349576 0.366719 0.384298 -0.0789302  0.0343007   0.0534224   201 A1INT B N4   
3768 C C24  . A1INT C .   ? 0.390676 0.419604 0.414109 -0.0747634  0.0521425   0.0462518   201 A1INT B C24  
3769 O O6   . A1INT C .   ? 0.362776 0.38314  0.3638   -0.0664058  0.0513568   0.0374217   201 A1INT B O6   
3770 C C25  . A1INT C .   ? 0.360195 0.411486 0.394511 -0.0821624  0.0751029   0.049611    201 A1INT B C25  
3771 C C26  . A1INT C .   ? 0.369316 0.437053 0.412178 -0.0662087  0.0886147   0.0338481   201 A1INT B C26  
3772 C C27  . A1INT C .   ? 0.312686 0.389683 0.390384 -0.0529084  0.0756123   0.0245947   201 A1INT B C27  
3773 C C28  . A1INT C .   ? 0.339486 0.425546 0.421111 -0.035507   0.0859422   0.0116504   201 A1INT B C28  
3774 C C29  . A1INT C .   ? 0.375307 0.49007  0.473904 -0.0351702  0.109698    0.0106813   201 A1INT B C29  
3775 C C30  . A1INT C .   ? 0.424692 0.534719 0.492778 -0.0496668  0.126032    0.0182922   201 A1INT B C30  
3776 C C31  . A1INT C .   ? 0.407617 0.502744 0.462809 -0.0698432  0.114379    0.0344099   201 A1INT B C31  
3777 H H5   . A1INT C .   ? 0.424957 0.483026 0.461244 -0.11796    0.0915992   0.0796062   201 A1INT B H5   
3778 H H13  . A1INT C .   ? 0.632446 0.649997 0.688098 -0.17406    0.0727649   0.130703    201 A1INT B H13  
3779 H H7   . A1INT C .   ? 0.657097 0.628322 0.470743 -0.157308   0.101052    0.127366    201 A1INT B H7   
3780 H H8   . A1INT C .   ? 0.624192 0.609482 0.498946 -0.158407   0.0978408   0.129393    201 A1INT B H8   
3781 H H6   . A1INT C .   ? 0.602154 0.574787 0.461228 -0.140732   0.0780161   0.115543    201 A1INT B H6   
3782 H H9   . A1INT C .   ? 0.587168 0.672647 0.631982 -0.152479   0.126486    0.102868    201 A1INT B H9   
3783 H H10  . A1INT C .   ? 0.572949 0.621307 0.610208 -0.147239   0.093307    0.105618    201 A1INT B H10  
3784 H H11  . A1INT C .   ? 0.687788 0.720994 0.667734 -0.189325   0.122034    0.144218    201 A1INT B H11  
3785 H H12  . A1INT C .   ? 0.655144 0.723707 0.702142 -0.190861   0.125663    0.135448    201 A1INT B H12  
3786 H H15  . A1INT C .   ? 0.754621 0.723053 0.745568 -0.217361   0.0814814   0.179345    201 A1INT B H15  
3787 H H16  . A1INT C .   ? 0.716863 0.718622 0.77246  -0.218065   0.0833193   0.165316    201 A1INT B H16  
3788 H H14  . A1INT C .   ? 0.71662  0.673061 0.744397 -0.201933   0.0530092   0.165753    201 A1INT B H14  
3789 H H17  . A1INT C .   ? 0.592648 0.580007 0.618361 -0.140481   0.0422261   0.1138      201 A1INT B H17  
3790 H H4   . A1INT C .   ? 0.436474 0.457587 0.384283 -0.0852565  0.084851    0.049148    201 A1INT B H4   
3791 H H2   . A1INT C .   ? 0.522785 0.504244 0.349076 -0.0982841  0.092208    0.048459    201 A1INT B H2   
3792 H H3   . A1INT C .   ? 0.478404 0.467586 0.354663 -0.0922074  0.0748041   0.0518241   201 A1INT B H3   
3793 H H1   . A1INT C .   ? 0.487815 0.49212  0.365239 -0.0870982  0.102863    0.0404294   201 A1INT B H1   
3794 H H19  . A1INT C .   ? 0.529722 0.492332 0.512765 -0.113622   0.0169107   0.101975    201 A1INT B H19  
3795 H H18  . A1INT C .   ? 0.571331 0.504993 0.518851 -0.120478   0.0036763   0.120616    201 A1INT B H18  
3796 H H21  . A1INT C .   ? 0.561939 0.5086   0.456106 -0.120112   0.0230066   0.112681    201 A1INT B H21  
3797 H H20  . A1INT C .   ? 0.540745 0.514529 0.461458 -0.119679   0.0472415   0.100765    201 A1INT B H20  
3798 H H23  . A1INT C .   ? 0.471604 0.429181 0.404328 -0.0949848  0.00425038  0.0870621   201 A1INT B H23  
3799 H H22  . A1INT C .   ? 0.477407 0.448355 0.391055 -0.09795    0.0286662   0.0787775   201 A1INT B H22  
3800 H H24  . A1INT C .   ? 0.346788 0.350929 0.36614  -0.0630684  0.0178765   0.040487    201 A1INT B H24  
3801 H H26  . A1INT C .   ? 0.347999 0.334303 0.392999 -0.0614156  -0.0113477  0.0458865   201 A1INT B H26  
3802 H H25  . A1INT C .   ? 0.336783 0.341563 0.405085 -0.0627257  0.000174    0.0406086   201 A1INT B H25  
3803 H H27  . A1INT C .   ? 0.378712 0.353253 0.452479 -0.0781477  -0.0174503  0.0604427   201 A1INT B H27  
3804 H H28  . A1INT C .   ? 0.401649 0.372301 0.44072  -0.0857654  -0.00741528 0.0727011   201 A1INT B H28  
3805 H H29  . A1INT C .   ? 0.37699  0.393872 0.473431 -0.0858964  0.0116987   0.056339    201 A1INT B H29  
3806 H H30  . A1INT C .   ? 0.412121 0.408799 0.494675 -0.10319    0.0101063   0.0755736   201 A1INT B H30  
3807 H H31  . A1INT C .   ? 0.388666 0.420259 0.452894 -0.0992425  0.0451069   0.0681975   201 A1INT B H31  
3808 H H32  . A1INT C .   ? 0.410062 0.411152 0.437435 -0.101879   0.032171    0.0782966   201 A1INT B H32  
3809 H H33  . A1INT C .   ? 0.372388 0.433199 0.433953 -0.0872955  0.071981    0.053604    201 A1INT B H33  
3810 H H34  . A1INT C .   ? 0.371583 0.425393 0.387    -0.0615833  0.0895621   0.0288267   201 A1INT B H34  
3811 H H36  . A1INT C .   ? 0.319669 0.410931 0.424819 -0.058039   0.0733702   0.0283011   201 A1INT B H36  
3812 H H35  . A1INT C .   ? 0.315974 0.377576 0.385595 -0.0507099  0.061586    0.023602    201 A1INT B H35  
3813 H H37  . A1INT C .   ? 0.344432 0.412728 0.39785  -0.0316989  0.0870918   0.00747869  201 A1INT B H37  
3814 H H38  . A1INT C .   ? 0.321082 0.411485 0.421983 -0.0275222  0.0758283   0.00751793  201 A1INT B H38  
3815 H H39  . A1INT C .   ? 0.378266 0.494526 0.475886 -0.021535   0.116195    0.0015665   201 A1INT B H39  
3816 H H40  . A1INT C .   ? 0.366038 0.502154 0.498044 -0.0383736  0.107726    0.0136151   201 A1INT B H40  
3817 H H41  . A1INT C .   ? 0.426978 0.519835 0.463817 -0.044884   0.130098    0.0127267   201 A1INT B H41  
3818 H H42  . A1INT C .   ? 0.423792 0.556848 0.507714 -0.0508607  0.142329    0.018243    201 A1INT B H42  
3819 H H44  . A1INT C .   ? 0.403784 0.514212 0.486644 -0.0775297  0.113793    0.040467    201 A1INT B H44  
3820 H H43  . A1INT C .   ? 0.431684 0.519609 0.458689 -0.077662   0.124325    0.0392261   201 A1INT B H43  
3821 C C4   . A1INT D .   ? 0.321218 0.338812 0.313662 -0.00967502 0.0762313   0.0375657   201 A1INT A C4   
3822 C C14  . A1INT D .   ? 0.391228 0.462676 0.436305 0.00820334  0.114815    0.040765    201 A1INT A C14  
3823 C C5   . A1INT D .   ? 0.326969 0.353476 0.344683 -0.0106834  0.0875159   0.0545016   201 A1INT A C5   
3824 C C6   . A1INT D .   ? 0.358861 0.403549 0.366508 0.00294876  0.105842    0.0619062   201 A1INT A C6   
3825 C C11  . A1INT D .   ? 0.383628 0.476119 0.525008 -0.00733273 0.136592    0.105132    201 A1INT A C11  
3826 C C7   . A1INT D .   ? 0.359192 0.409882 0.328233 0.0164445   0.107781    0.0518059   201 A1INT A C7   
3827 C C8   . A1INT D .   ? 0.413858 0.487515 0.353329 0.0396152   0.133198    0.0497399   201 A1INT A C8   
3828 C C9   . A1INT D .   ? 0.424837 0.47963  0.503265 -0.00997859 0.120012    0.097134    201 A1INT A C9   
3829 C C10  . A1INT D .   ? 0.390361 0.470716 0.50348  -0.00524739 0.141434    0.114276    201 A1INT A C10  
3830 C C12  . A1INT D .   ? 0.431724 0.553118 0.615408 0.00025669  0.160401    0.123842    201 A1INT A C12  
3831 C C13  . A1INT D .   ? 0.374724 0.445996 0.458432 -0.00414868 0.110807    0.0589642   201 A1INT A C13  
3832 N N1   . A1INT D .   ? 0.395333 0.482004 0.493552 0.0031519   0.131973    0.078718    201 A1INT A N1   
3833 N N2   . A1INT D .   ? 0.432343 0.516192 0.463019 0.0239617   0.136903    0.0483746   201 A1INT A N2   
3834 C C3   . A1INT D .   ? 0.307153 0.336253 0.271344 0.00274934  0.0795479   0.0293523   201 A1INT A C3   
3835 N N3   . A1INT D .   ? 0.425804 0.519877 0.488    0.0218562   0.149912    0.0730088   201 A1INT A N3   
3836 C C1   . A1INT D .   ? 0.350101 0.407955 0.261422 0.0262976   0.0784275   0.0132016   201 A1INT A C1   
3837 O O1   . A1INT D .   ? 0.386849 0.442431 0.30748  0.027752    0.0927885   0.0287889   201 A1INT A O1   
3838 C C2   . A1INT D .   ? 0.369599 0.414816 0.320869 0.0152578   0.092796    0.0350352   201 A1INT A C2   
3839 O O2   . A1INT D .   ? 0.415701 0.478306 0.364219 0.03151     0.124962    0.0612339   201 A1INT A O2   
3840 O O3   . A1INT D .   ? 0.376578 0.434297 0.407308 0.00564792  0.123707    0.0811742   201 A1INT A O3   
3841 C C15  . A1INT D .   ? 0.358323 0.418582 0.379855 0.00583405  0.099734    0.0174148   201 A1INT A C15  
3842 C C16  . A1INT D .   ? 0.358914 0.416341 0.341632 0.0104028   0.0956433   0.00797236  201 A1INT A C16  
3843 C C17  . A1INT D .   ? 0.355057 0.402896 0.328153 0.00161731  0.0784565   -0.00806408 201 A1INT A C17  
3844 O O4   . A1INT D .   ? 0.313315 0.348115 0.301481 -0.0106948  0.0680286   -0.00190398 201 A1INT A O4   
3845 C C18  . A1INT D .   ? 0.317185 0.341713 0.302916 -0.0189388  0.0566279   -0.0122499  201 A1INT A C18  
3846 O O5   . A1INT D .   ? 0.293127 0.319826 0.271236 -0.018908   0.0542307   -0.0246857  201 A1INT A O5   
3847 C C19  . A1INT D .   ? 0.289545 0.295235 0.28145  -0.0287861  0.0469553   -0.00537299 201 A1INT A C19  
3848 C C20  . A1INT D .   ? 0.321922 0.318885 0.330594 -0.0374082  0.0377494   -0.0058856  201 A1INT A C20  
3849 C C21  . A1INT D .   ? 0.298563 0.306866 0.339514 -0.0365469  0.0419203   0.00545382  201 A1INT A C21  
3850 C C22  . A1INT D .   ? 0.286554 0.294065 0.342687 -0.0400745  0.0429532   0.0209968   201 A1INT A C22  
3851 C C23  . A1INT D .   ? 0.29937  0.310851 0.334381 -0.0315139  0.0545597   0.0229353   201 A1INT A C23  
3852 N N4   . A1INT D .   ? 0.300281 0.303489 0.302006 -0.0283192  0.0507298   0.00949143  201 A1INT A N4   
3853 C C24  . A1INT D .   ? 0.318536 0.317556 0.303142 -0.0225768  0.0538972   0.0124996   201 A1INT A C24  
3854 O O6   . A1INT D .   ? 0.327818 0.328374 0.292842 -0.0177631  0.0527092   0.00299155  201 A1INT A O6   
3855 C C25  . A1INT D .   ? 0.309916 0.304035 0.304226 -0.0217793  0.0596033   0.029695    201 A1INT A C25  
3856 C C26  . A1INT D .   ? 0.331021 0.303212 0.306487 -0.0189673  0.0560462   0.0316035   201 A1INT A C26  
3857 C C27  . A1INT D .   ? 0.352098 0.293889 0.321038 -0.0289965  0.0413694   0.0235375   201 A1INT A C27  
3858 C C28  . A1INT D .   ? 0.393549 0.307628 0.34126  -0.0233372  0.0400059   0.0240101   201 A1INT A C28  
3859 C C29  . A1INT D .   ? 0.399709 0.300374 0.356316 -0.0231901  0.0433583   0.040353    201 A1INT A C29  
3860 C C30  . A1INT D .   ? 0.426138 0.360554 0.388175 -0.0121306  0.0586477   0.050849    201 A1INT A C30  
3861 C C31  . A1INT D .   ? 0.359002 0.322464 0.340913 -0.0169962  0.0626519   0.0499744   201 A1INT A C31  
3862 H H5   . A1INT D .   ? 0.330622 0.352094 0.372599 -0.0203681  0.0826821   0.0604758   201 A1INT A H5   
3863 H H13  . A1INT D .   ? 0.382264 0.465087 0.543107 -0.0211703  0.118534    0.10396     201 A1INT A H13  
3864 H H7   . A1INT D .   ? 0.439391 0.518185 0.3565   0.0516464   0.144838    0.0547653   201 A1INT A H7   
3865 H H8   . A1INT D .   ? 0.408226 0.48497  0.375074 0.034932    0.138479    0.0544406   201 A1INT A H8   
3866 H H6   . A1INT D .   ? 0.408291 0.479896 0.336191 0.0382996   0.121806    0.032659    201 A1INT A H6   
3867 H H9   . A1INT D .   ? 0.412335 0.455073 0.492215 -0.014665   0.118027    0.107388    201 A1INT A H9   
3868 H H10  . A1INT D .   ? 0.388029 0.435252 0.475906 -0.0190094  0.104934    0.087353    201 A1INT A H10  
3869 H H11  . A1INT D .   ? 0.415246 0.50407  0.504886 0.00881691  0.157616    0.115787    201 A1INT A H11  
3870 H H12  . A1INT D .   ? 0.408187 0.489008 0.550025 -0.0136006  0.144077    0.132232    201 A1INT A H12  
3871 H H15  . A1INT D .   ? 0.435085 0.563383 0.595019 0.0150679   0.179765    0.125445    201 A1INT A H15  
3872 H H16  . A1INT D .   ? 0.421503 0.548342 0.640592 -0.0096173  0.161263    0.142235    201 A1INT A H16  
3873 H H14  . A1INT D .   ? 0.408969 0.536012 0.608338 0.00079021  0.155659    0.116521    201 A1INT A H14  
3874 H H17  . A1INT D .   ? 0.369589 0.430576 0.465494 -0.0156674  0.0958428   0.0580617   201 A1INT A H17  
3875 H H4   . A1INT D .   ? 0.317791 0.344393 0.271432 0.00284576  0.0725037   0.0199635   201 A1INT A H4   
3876 H H2   . A1INT D .   ? 0.369389 0.437164 0.26235  0.0344901   0.076677    0.00948192  201 A1INT A H2   
3877 H H3   . A1INT D .   ? 0.345398 0.402503 0.265167 0.0192141   0.073982    0.00278302  201 A1INT A H3   
3878 H H1   . A1INT D .   ? 0.355139 0.404968 0.270469 0.0245828   0.0749831   0.0175302   201 A1INT A H1   
3879 H H19  . A1INT D .   ? 0.349773 0.40155  0.383922 -0.00466655 0.0873769   0.0163817   201 A1INT A H19  
3880 H H18  . A1INT D .   ? 0.367121 0.430074 0.387265 0.0119785   0.104578    0.0101379   201 A1INT A H18  
3881 H H21  . A1INT D .   ? 0.377358 0.440224 0.341468 0.0205845   0.103272    0.0031457   201 A1INT A H21  
3882 H H20  . A1INT D .   ? 0.36533  0.42207  0.347664 0.00992522  0.0972122   0.0185012   201 A1INT A H20  
3883 H H23  . A1INT D .   ? 0.344505 0.390481 0.319817 0.00073362  0.0764947   -0.0171934  201 A1INT A H23  
3884 H H22  . A1INT D .   ? 0.351175 0.402279 0.304801 0.00562375  0.0763415   -0.0131519  201 A1INT A H22  
3885 H H24  . A1INT D .   ? 0.302421 0.3019   0.279478 -0.0292706  0.043728    -0.0106144  201 A1INT A H24  
3886 H H26  . A1INT D .   ? 0.305315 0.303576 0.308183 -0.0369017  0.0373759   -0.0142969  201 A1INT A H26  
3887 H H25  . A1INT D .   ? 0.313434 0.294814 0.317619 -0.0438173  0.0287248   -0.00473493 201 A1INT A H25  
3888 H H27  . A1INT D .   ? 0.298377 0.301444 0.35168  -0.0415518  0.0336083   0.00601272  201 A1INT A H27  
3889 H H28  . A1INT D .   ? 0.298612 0.319522 0.339673 -0.0283617  0.052435    0.00321117  201 A1INT A H28  
3890 H H29  . A1INT D .   ? 0.297733 0.288784 0.352774 -0.0486106  0.0304532   0.0217415   201 A1INT A H29  
3891 H H30  . A1INT D .   ? 0.291462 0.31089  0.373758 -0.0395515  0.0477673   0.0303907   201 A1INT A H30  
3892 H H31  . A1INT D .   ? 0.305632 0.310412 0.3493   -0.0355279  0.0533349   0.0330808   201 A1INT A H31  
3893 H H32  . A1INT D .   ? 0.2989   0.325586 0.334947 -0.0231582  0.0664902   0.024778    201 A1INT A H32  
3894 H H33  . A1INT D .   ? 0.317276 0.305783 0.332159 -0.0304424  0.0553645   0.0360525   201 A1INT A H33  
3895 H H34  . A1INT D .   ? 0.33149  0.312444 0.290856 -0.0103753  0.0587075   0.025276    201 A1INT A H34  
3896 H H36  . A1INT D .   ? 0.356233 0.290425 0.341824 -0.0387801  0.0348396   0.0283851   201 A1INT A H36  
3897 H H35  . A1INT D .   ? 0.344079 0.290306 0.305159 -0.0289025  0.03904     0.0133162   201 A1INT A H35  
3898 H H37  . A1INT D .   ? 0.382263 0.306901 0.317105 -0.0131822  0.0455958   0.0193811   201 A1INT A H37  
3899 H H38  . A1INT D .   ? 0.397966 0.28945  0.336313 -0.028857   0.0310813   0.0176241   201 A1INT A H38  
3900 H H39  . A1INT D .   ? 0.43008  0.30929  0.370629 -0.0178965  0.0422859   0.0391411   201 A1INT A H39  
3901 H H40  . A1INT D .   ? 0.41653  0.307738 0.390732 -0.034849   0.0369373   0.0461003   201 A1INT A H40  
3902 H H41  . A1INT D .   ? 0.4048   0.348437 0.350604 -0.00143045 0.0616365   0.0452541   201 A1INT A H41  
3903 H H42  . A1INT D .   ? 0.42208  0.348949 0.390004 -0.0116618  0.0630113   0.0642807   201 A1INT A H42  
3904 H H44  . A1INT D .   ? 0.368962 0.327221 0.372265 -0.026725   0.0601018   0.0577433   201 A1INT A H44  
3905 H H43  . A1INT D .   ? 0.365946 0.3469   0.344784 -0.00856534 0.0729233   0.0555576   201 A1INT A H43  
# 
