data_9GPL
# 
_entry.id   9GPL 
# 
_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   9GPL         pdb_00009gpl 10.2210/pdb9gpl/pdb 
WWPDB D_1292141127 ?            ?                   
# 
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                        9GPL 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-09 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              felix.hausch@tu-darmstadt.de 
_pdbx_contact_author.name_first         Felix 
_pdbx_contact_author.name_last          Hausch 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-3710-8838 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Meyners, C.' 1 ? 
'Buffa, V.'   2 ? 
'Walz, C.'    3 ? 
'Hausch, F.'  4 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   GE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Angew.Chem.Int.Ed.Engl. 
_citation.journal_id_ASTM           ACIEAY 
_citation.journal_id_CSD            0179 
_citation.journal_id_ISSN           1521-3773 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            64 
_citation.language                  ? 
_citation.page_first                e202418512 
_citation.page_last                 e202418512 
_citation.title                     
'Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/anie.202418512 
_citation.pdbx_database_id_PubMed   39749563 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Buffa, V.'        1  ?                   
primary 'Walz, C.'         2  ?                   
primary 'Meyners, C.'      3  ?                   
primary 'Zheng, M.'        4  ?                   
primary 'Oki Sugiarto, W.' 5  ?                   
primary 'Repity, M.'       6  ?                   
primary 'Achaq, H.'        7  ?                   
primary 'Brudy, C.'        8  ?                   
primary 'Spiske, M.'       9  ?                   
primary 'Cica, M.'         10 ?                   
primary 'Hausch, F.'       11 0000-0002-3710-8838 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Peptidyl-prolyl cis-trans isomerase FKBP5' 14004.026 2   5.2.1.8 'A19T, C103A, C107I' ? ? 
2 non-polymer syn 
'2-cyclohexyl-1,19-dimethoxy-11,18-dioxa-1lambda5,19lambda5-diphospha-2-stannatetracyclo[15.3.0.01,13.04,9]icosane-3,12-dione' 
540.651   2   ?       ?                    ? ? 
3 water       nat water 18.015    126 ?       ?                    ? ? 
# 
_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                 A,B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '2-cyclohexyl-1,19-dimethoxy-11,18-dioxa-1lambda5,19lambda5-diphospha-2-stannatetracyclo[15.3.0.01,13.04,9]icosane-3,12-dione' 
A1INL 
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 
A1INL non-polymer         . 
'2-cyclohexyl-1,19-dimethoxy-11,18-dioxa-1lambda5,19lambda5-diphospha-2-stannatetracyclo[15.3.0.01,13.04,9]icosane-3,12-dione' ? 
'C29 H40 N4 O6'  540.651 
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 A . n 
A 1 2   ALA 2   14  14  ALA ALA A . n 
A 1 3   PRO 3   15  15  PRO PRO A . n 
A 1 4   ALA 4   16  16  ALA ALA A . n 
A 1 5   THR 5   17  17  THR THR A . n 
A 1 6   VAL 6   18  18  VAL VAL A . n 
A 1 7   THR 7   19  19  THR THR A . n 
A 1 8   GLU 8   20  20  GLU GLU A . n 
A 1 9   GLN 9   21  21  GLN GLN A . n 
A 1 10  GLY 10  22  22  GLY GLY A . n 
A 1 11  GLU 11  23  23  GLU GLU A . n 
A 1 12  ASP 12  24  24  ASP ASP A . n 
A 1 13  ILE 13  25  25  ILE ILE A . n 
A 1 14  THR 14  26  26  THR THR A . n 
A 1 15  SER 15  27  27  SER SER A . n 
A 1 16  LYS 16  28  28  LYS LYS A . n 
A 1 17  LYS 17  29  29  LYS LYS A . n 
A 1 18  ASP 18  30  30  ASP ASP A . n 
A 1 19  ARG 19  31  31  ARG ARG A . n 
A 1 20  GLY 20  32  32  GLY GLY A . n 
A 1 21  VAL 21  33  33  VAL VAL A . n 
A 1 22  LEU 22  34  34  LEU LEU A . n 
A 1 23  LYS 23  35  35  LYS LYS A . n 
A 1 24  ILE 24  36  36  ILE ILE A . n 
A 1 25  VAL 25  37  37  VAL VAL A . n 
A 1 26  LYS 26  38  38  LYS LYS A . n 
A 1 27  ARG 27  39  39  ARG ARG A . n 
A 1 28  VAL 28  40  40  VAL VAL A . n 
A 1 29  GLY 29  41  41  GLY GLY A . n 
A 1 30  ASN 30  42  42  ASN ASN A . n 
A 1 31  GLY 31  43  43  GLY GLY A . n 
A 1 32  GLU 32  44  44  GLU GLU A . n 
A 1 33  GLU 33  45  45  GLU GLU A . n 
A 1 34  THR 34  46  46  THR THR A . n 
A 1 35  PRO 35  47  47  PRO PRO A . n 
A 1 36  MET 36  48  48  MET MET A . n 
A 1 37  ILE 37  49  49  ILE ILE A . n 
A 1 38  GLY 38  50  50  GLY GLY A . n 
A 1 39  ASP 39  51  51  ASP ASP A . n 
A 1 40  LYS 40  52  52  LYS LYS A . n 
A 1 41  VAL 41  53  53  VAL VAL A . n 
A 1 42  TYR 42  54  54  TYR TYR A . n 
A 1 43  VAL 43  55  55  VAL VAL A . n 
A 1 44  HIS 44  56  56  HIS HIS A . n 
A 1 45  TYR 45  57  57  TYR TYR A . n 
A 1 46  LYS 46  58  58  LYS LYS A . n 
A 1 47  GLY 47  59  59  GLY GLY A . n 
A 1 48  LYS 48  60  60  LYS LYS A . n 
A 1 49  LEU 49  61  61  LEU LEU A . n 
A 1 50  SER 50  62  62  SER SER A . n 
A 1 51  ASN 51  63  63  ASN ASN A . n 
A 1 52  GLY 52  64  64  GLY GLY A . n 
A 1 53  LYS 53  65  65  LYS LYS A . n 
A 1 54  LYS 54  66  66  LYS LYS A . n 
A 1 55  PHE 55  67  67  PHE PHE A . n 
A 1 56  ASP 56  68  68  ASP ASP A . n 
A 1 57  SER 57  69  69  SER SER A . n 
A 1 58  SER 58  70  70  SER SER A . n 
A 1 59  HIS 59  71  71  HIS HIS A . n 
A 1 60  ASP 60  72  72  ASP ASP A . n 
A 1 61  ARG 61  73  73  ARG ARG A . n 
A 1 62  ASN 62  74  74  ASN ASN A . n 
A 1 63  GLU 63  75  75  GLU GLU A . n 
A 1 64  PRO 64  76  76  PRO PRO A . n 
A 1 65  PHE 65  77  77  PHE PHE A . n 
A 1 66  VAL 66  78  78  VAL VAL A . n 
A 1 67  PHE 67  79  79  PHE PHE A . n 
A 1 68  SER 68  80  80  SER SER A . n 
A 1 69  LEU 69  81  81  LEU LEU A . n 
A 1 70  GLY 70  82  82  GLY GLY A . n 
A 1 71  LYS 71  83  83  LYS LYS A . n 
A 1 72  GLY 72  84  84  GLY GLY A . n 
A 1 73  GLN 73  85  85  GLN GLN A . n 
A 1 74  VAL 74  86  86  VAL VAL A . n 
A 1 75  ILE 75  87  87  ILE ILE A . n 
A 1 76  LYS 76  88  88  LYS LYS A . n 
A 1 77  ALA 77  89  89  ALA ALA A . n 
A 1 78  TRP 78  90  90  TRP TRP A . n 
A 1 79  ASP 79  91  91  ASP ASP A . n 
A 1 80  ILE 80  92  92  ILE ILE A . n 
A 1 81  GLY 81  93  93  GLY GLY A . n 
A 1 82  VAL 82  94  94  VAL VAL A . n 
A 1 83  ALA 83  95  95  ALA ALA A . n 
A 1 84  THR 84  96  96  THR THR A . n 
A 1 85  MET 85  97  97  MET MET A . n 
A 1 86  LYS 86  98  98  LYS LYS A . n 
A 1 87  LYS 87  99  99  LYS LYS A . n 
A 1 88  GLY 88  100 100 GLY GLY A . n 
A 1 89  GLU 89  101 101 GLU GLU A . n 
A 1 90  ILE 90  102 102 ILE ILE A . n 
A 1 91  ALA 91  103 103 ALA ALA A . n 
A 1 92  HIS 92  104 104 HIS HIS A . n 
A 1 93  LEU 93  105 105 LEU LEU A . n 
A 1 94  LEU 94  106 106 LEU LEU A . n 
A 1 95  ILE 95  107 107 ILE ILE A . n 
A 1 96  LYS 96  108 108 LYS LYS A . n 
A 1 97  PRO 97  109 109 PRO PRO A . n 
A 1 98  GLU 98  110 110 GLU GLU A . n 
A 1 99  TYR 99  111 111 TYR TYR A . n 
A 1 100 ALA 100 112 112 ALA ALA A . n 
A 1 101 TYR 101 113 113 TYR TYR A . n 
A 1 102 GLY 102 114 114 GLY GLY A . n 
A 1 103 SER 103 115 115 SER SER A . n 
A 1 104 ALA 104 116 116 ALA ALA A . n 
A 1 105 GLY 105 117 117 GLY GLY A . n 
A 1 106 SER 106 118 118 SER SER A . n 
A 1 107 LEU 107 119 119 LEU LEU A . n 
A 1 108 PRO 108 120 120 PRO PRO A . n 
A 1 109 LYS 109 121 121 LYS LYS A . n 
A 1 110 ILE 110 122 122 ILE ILE A . n 
A 1 111 PRO 111 123 123 PRO PRO A . n 
A 1 112 SER 112 124 124 SER SER A . n 
A 1 113 ASN 113 125 125 ASN ASN A . n 
A 1 114 ALA 114 126 126 ALA ALA A . n 
A 1 115 THR 115 127 127 THR THR A . n 
A 1 116 LEU 116 128 128 LEU LEU A . n 
A 1 117 PHE 117 129 129 PHE PHE A . n 
A 1 118 PHE 118 130 130 PHE PHE A . n 
A 1 119 GLU 119 131 131 GLU GLU A . n 
A 1 120 ILE 120 132 132 ILE ILE A . n 
A 1 121 GLU 121 133 133 GLU GLU A . n 
A 1 122 LEU 122 134 134 LEU LEU A . n 
A 1 123 LEU 123 135 135 LEU LEU A . n 
A 1 124 ASP 124 136 136 ASP ASP A . n 
A 1 125 PHE 125 137 137 PHE PHE A . n 
A 1 126 LYS 126 138 138 LYS LYS A . n 
A 1 127 GLY 127 139 139 GLY GLY A . n 
A 1 128 GLU 128 140 140 GLU GLU A . n 
B 1 1   GLY 1   13  13  GLY GLY B . n 
B 1 2   ALA 2   14  14  ALA ALA B . n 
B 1 3   PRO 3   15  15  PRO PRO B . n 
B 1 4   ALA 4   16  16  ALA ALA B . n 
B 1 5   THR 5   17  17  THR THR B . n 
B 1 6   VAL 6   18  18  VAL VAL B . n 
B 1 7   THR 7   19  19  THR THR B . n 
B 1 8   GLU 8   20  20  GLU GLU B . n 
B 1 9   GLN 9   21  21  GLN GLN B . n 
B 1 10  GLY 10  22  22  GLY GLY B . n 
B 1 11  GLU 11  23  23  GLU GLU B . n 
B 1 12  ASP 12  24  24  ASP ASP B . n 
B 1 13  ILE 13  25  25  ILE ILE B . n 
B 1 14  THR 14  26  26  THR THR B . n 
B 1 15  SER 15  27  27  SER SER B . n 
B 1 16  LYS 16  28  28  LYS LYS B . n 
B 1 17  LYS 17  29  29  LYS LYS B . n 
B 1 18  ASP 18  30  30  ASP ASP B . n 
B 1 19  ARG 19  31  31  ARG ARG B . n 
B 1 20  GLY 20  32  32  GLY GLY B . n 
B 1 21  VAL 21  33  33  VAL VAL B . n 
B 1 22  LEU 22  34  34  LEU LEU B . n 
B 1 23  LYS 23  35  35  LYS LYS B . n 
B 1 24  ILE 24  36  36  ILE ILE B . n 
B 1 25  VAL 25  37  37  VAL VAL B . n 
B 1 26  LYS 26  38  38  LYS LYS B . n 
B 1 27  ARG 27  39  39  ARG ARG B . n 
B 1 28  VAL 28  40  40  VAL VAL B . n 
B 1 29  GLY 29  41  41  GLY GLY B . n 
B 1 30  ASN 30  42  42  ASN ASN B . n 
B 1 31  GLY 31  43  43  GLY GLY B . n 
B 1 32  GLU 32  44  44  GLU GLU B . n 
B 1 33  GLU 33  45  45  GLU GLU B . n 
B 1 34  THR 34  46  46  THR THR B . n 
B 1 35  PRO 35  47  47  PRO PRO B . n 
B 1 36  MET 36  48  48  MET MET B . n 
B 1 37  ILE 37  49  49  ILE ILE B . n 
B 1 38  GLY 38  50  50  GLY GLY B . n 
B 1 39  ASP 39  51  51  ASP ASP B . n 
B 1 40  LYS 40  52  52  LYS LYS B . n 
B 1 41  VAL 41  53  53  VAL VAL B . n 
B 1 42  TYR 42  54  54  TYR TYR B . n 
B 1 43  VAL 43  55  55  VAL VAL B . n 
B 1 44  HIS 44  56  56  HIS HIS B . n 
B 1 45  TYR 45  57  57  TYR TYR B . n 
B 1 46  LYS 46  58  58  LYS LYS B . n 
B 1 47  GLY 47  59  59  GLY GLY B . n 
B 1 48  LYS 48  60  60  LYS LYS B . n 
B 1 49  LEU 49  61  61  LEU LEU B . n 
B 1 50  SER 50  62  62  SER SER B . n 
B 1 51  ASN 51  63  63  ASN ASN B . n 
B 1 52  GLY 52  64  64  GLY GLY B . n 
B 1 53  LYS 53  65  65  LYS LYS B . n 
B 1 54  LYS 54  66  66  LYS LYS B . n 
B 1 55  PHE 55  67  67  PHE PHE B . n 
B 1 56  ASP 56  68  68  ASP ASP B . n 
B 1 57  SER 57  69  69  SER SER B . n 
B 1 58  SER 58  70  70  SER SER B . n 
B 1 59  HIS 59  71  71  HIS HIS B . n 
B 1 60  ASP 60  72  72  ASP ASP B . n 
B 1 61  ARG 61  73  73  ARG ARG B . n 
B 1 62  ASN 62  74  74  ASN ASN B . n 
B 1 63  GLU 63  75  75  GLU GLU B . n 
B 1 64  PRO 64  76  76  PRO PRO B . n 
B 1 65  PHE 65  77  77  PHE PHE B . n 
B 1 66  VAL 66  78  78  VAL VAL B . n 
B 1 67  PHE 67  79  79  PHE PHE B . n 
B 1 68  SER 68  80  80  SER SER B . n 
B 1 69  LEU 69  81  81  LEU LEU B . n 
B 1 70  GLY 70  82  82  GLY GLY B . n 
B 1 71  LYS 71  83  83  LYS LYS B . n 
B 1 72  GLY 72  84  84  GLY GLY B . n 
B 1 73  GLN 73  85  85  GLN GLN B . n 
B 1 74  VAL 74  86  86  VAL VAL B . n 
B 1 75  ILE 75  87  87  ILE ILE B . n 
B 1 76  LYS 76  88  88  LYS LYS B . n 
B 1 77  ALA 77  89  89  ALA ALA B . n 
B 1 78  TRP 78  90  90  TRP TRP B . n 
B 1 79  ASP 79  91  91  ASP ASP B . n 
B 1 80  ILE 80  92  92  ILE ILE B . n 
B 1 81  GLY 81  93  93  GLY GLY B . n 
B 1 82  VAL 82  94  94  VAL VAL B . n 
B 1 83  ALA 83  95  95  ALA ALA B . n 
B 1 84  THR 84  96  96  THR THR B . n 
B 1 85  MET 85  97  97  MET MET B . n 
B 1 86  LYS 86  98  98  LYS LYS B . n 
B 1 87  LYS 87  99  99  LYS LYS B . n 
B 1 88  GLY 88  100 100 GLY GLY B . n 
B 1 89  GLU 89  101 101 GLU GLU B . n 
B 1 90  ILE 90  102 102 ILE ILE B . n 
B 1 91  ALA 91  103 103 ALA ALA B . n 
B 1 92  HIS 92  104 104 HIS HIS B . n 
B 1 93  LEU 93  105 105 LEU LEU B . n 
B 1 94  LEU 94  106 106 LEU LEU B . n 
B 1 95  ILE 95  107 107 ILE ILE B . n 
B 1 96  LYS 96  108 108 LYS LYS B . n 
B 1 97  PRO 97  109 109 PRO PRO B . n 
B 1 98  GLU 98  110 110 GLU GLU B . n 
B 1 99  TYR 99  111 111 TYR TYR B . n 
B 1 100 ALA 100 112 112 ALA ALA B . n 
B 1 101 TYR 101 113 113 TYR TYR B . n 
B 1 102 GLY 102 114 114 GLY GLY B . n 
B 1 103 SER 103 115 115 SER SER B . n 
B 1 104 ALA 104 116 116 ALA ALA B . n 
B 1 105 GLY 105 117 117 GLY GLY B . n 
B 1 106 SER 106 118 118 SER SER B . n 
B 1 107 LEU 107 119 119 LEU LEU B . n 
B 1 108 PRO 108 120 120 PRO PRO B . n 
B 1 109 LYS 109 121 121 LYS LYS B . n 
B 1 110 ILE 110 122 122 ILE ILE B . n 
B 1 111 PRO 111 123 123 PRO PRO B . n 
B 1 112 SER 112 124 124 SER SER B . n 
B 1 113 ASN 113 125 125 ASN ASN B . n 
B 1 114 ALA 114 126 126 ALA ALA B . n 
B 1 115 THR 115 127 127 THR THR B . n 
B 1 116 LEU 116 128 128 LEU LEU B . n 
B 1 117 PHE 117 129 129 PHE PHE B . n 
B 1 118 PHE 118 130 130 PHE PHE B . n 
B 1 119 GLU 119 131 131 GLU GLU B . n 
B 1 120 ILE 120 132 132 ILE ILE B . n 
B 1 121 GLU 121 133 133 GLU GLU B . n 
B 1 122 LEU 122 134 134 LEU LEU B . n 
B 1 123 LEU 123 135 135 LEU LEU B . n 
B 1 124 ASP 124 136 136 ASP ASP B . n 
B 1 125 PHE 125 137 137 PHE PHE B . n 
B 1 126 LYS 126 138 138 LYS LYS B . n 
B 1 127 GLY 127 139 139 GLY GLY B . n 
B 1 128 GLU 128 140 140 GLU GLU B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1INL 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1INL 
_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 A1INL 1  201 201 A1INL DRG A . 
D 2 A1INL 1  201 201 A1INL DRG B . 
E 3 HOH   1  301 111 HOH   HOH A . 
E 3 HOH   2  302 114 HOH   HOH A . 
E 3 HOH   3  303 30  HOH   HOH A . 
E 3 HOH   4  304 100 HOH   HOH A . 
E 3 HOH   5  305 17  HOH   HOH A . 
E 3 HOH   6  306 42  HOH   HOH A . 
E 3 HOH   7  307 56  HOH   HOH A . 
E 3 HOH   8  308 9   HOH   HOH A . 
E 3 HOH   9  309 112 HOH   HOH A . 
E 3 HOH   10 310 41  HOH   HOH A . 
E 3 HOH   11 311 106 HOH   HOH A . 
E 3 HOH   12 312 66  HOH   HOH A . 
E 3 HOH   13 313 93  HOH   HOH A . 
E 3 HOH   14 314 76  HOH   HOH A . 
E 3 HOH   15 315 78  HOH   HOH A . 
E 3 HOH   16 316 84  HOH   HOH A . 
E 3 HOH   17 317 105 HOH   HOH A . 
E 3 HOH   18 318 125 HOH   HOH A . 
E 3 HOH   19 319 130 HOH   HOH A . 
E 3 HOH   20 320 20  HOH   HOH A . 
E 3 HOH   21 321 27  HOH   HOH A . 
E 3 HOH   22 322 49  HOH   HOH A . 
E 3 HOH   23 323 71  HOH   HOH A . 
E 3 HOH   24 324 63  HOH   HOH A . 
E 3 HOH   25 325 3   HOH   HOH A . 
E 3 HOH   26 326 46  HOH   HOH A . 
E 3 HOH   27 327 16  HOH   HOH A . 
E 3 HOH   28 328 53  HOH   HOH A . 
E 3 HOH   29 329 32  HOH   HOH A . 
E 3 HOH   30 330 79  HOH   HOH A . 
E 3 HOH   31 331 104 HOH   HOH A . 
E 3 HOH   32 332 21  HOH   HOH A . 
E 3 HOH   33 333 33  HOH   HOH A . 
E 3 HOH   34 334 77  HOH   HOH A . 
E 3 HOH   35 335 68  HOH   HOH A . 
E 3 HOH   36 336 89  HOH   HOH A . 
E 3 HOH   37 337 43  HOH   HOH A . 
E 3 HOH   38 338 55  HOH   HOH A . 
E 3 HOH   39 339 38  HOH   HOH A . 
E 3 HOH   40 340 72  HOH   HOH A . 
E 3 HOH   41 341 57  HOH   HOH A . 
E 3 HOH   42 342 29  HOH   HOH A . 
E 3 HOH   43 343 107 HOH   HOH A . 
E 3 HOH   44 344 60  HOH   HOH A . 
E 3 HOH   45 345 12  HOH   HOH A . 
E 3 HOH   46 346 13  HOH   HOH A . 
E 3 HOH   47 347 103 HOH   HOH A . 
E 3 HOH   48 348 10  HOH   HOH A . 
E 3 HOH   49 349 102 HOH   HOH A . 
E 3 HOH   50 350 118 HOH   HOH A . 
E 3 HOH   51 351 50  HOH   HOH A . 
E 3 HOH   52 352 70  HOH   HOH A . 
E 3 HOH   53 353 126 HOH   HOH A . 
E 3 HOH   54 354 58  HOH   HOH A . 
E 3 HOH   55 355 96  HOH   HOH A . 
E 3 HOH   56 356 124 HOH   HOH A . 
E 3 HOH   57 357 51  HOH   HOH A . 
E 3 HOH   58 358 129 HOH   HOH A . 
E 3 HOH   59 359 87  HOH   HOH A . 
E 3 HOH   60 360 122 HOH   HOH A . 
F 3 HOH   1  301 113 HOH   HOH B . 
F 3 HOH   2  302 39  HOH   HOH B . 
F 3 HOH   3  303 128 HOH   HOH B . 
F 3 HOH   4  304 127 HOH   HOH B . 
F 3 HOH   5  305 23  HOH   HOH B . 
F 3 HOH   6  306 98  HOH   HOH B . 
F 3 HOH   7  307 35  HOH   HOH B . 
F 3 HOH   8  308 22  HOH   HOH B . 
F 3 HOH   9  309 36  HOH   HOH B . 
F 3 HOH   10 310 86  HOH   HOH B . 
F 3 HOH   11 311 94  HOH   HOH B . 
F 3 HOH   12 312 123 HOH   HOH B . 
F 3 HOH   13 313 11  HOH   HOH B . 
F 3 HOH   14 314 101 HOH   HOH B . 
F 3 HOH   15 315 67  HOH   HOH B . 
F 3 HOH   16 316 8   HOH   HOH B . 
F 3 HOH   17 317 18  HOH   HOH B . 
F 3 HOH   18 318 31  HOH   HOH B . 
F 3 HOH   19 319 14  HOH   HOH B . 
F 3 HOH   20 320 69  HOH   HOH B . 
F 3 HOH   21 321 80  HOH   HOH B . 
F 3 HOH   22 322 99  HOH   HOH B . 
F 3 HOH   23 323 48  HOH   HOH B . 
F 3 HOH   24 324 37  HOH   HOH B . 
F 3 HOH   25 325 6   HOH   HOH B . 
F 3 HOH   26 326 15  HOH   HOH B . 
F 3 HOH   27 327 73  HOH   HOH B . 
F 3 HOH   28 328 28  HOH   HOH B . 
F 3 HOH   29 329 19  HOH   HOH B . 
F 3 HOH   30 330 24  HOH   HOH B . 
F 3 HOH   31 331 81  HOH   HOH B . 
F 3 HOH   32 332 34  HOH   HOH B . 
F 3 HOH   33 333 85  HOH   HOH B . 
F 3 HOH   34 334 82  HOH   HOH B . 
F 3 HOH   35 335 25  HOH   HOH B . 
F 3 HOH   36 336 64  HOH   HOH B . 
F 3 HOH   37 337 47  HOH   HOH B . 
F 3 HOH   38 338 120 HOH   HOH B . 
F 3 HOH   39 339 88  HOH   HOH B . 
F 3 HOH   40 340 7   HOH   HOH B . 
F 3 HOH   41 341 119 HOH   HOH B . 
F 3 HOH   42 342 75  HOH   HOH B . 
F 3 HOH   43 343 4   HOH   HOH B . 
F 3 HOH   44 344 45  HOH   HOH B . 
F 3 HOH   45 345 61  HOH   HOH B . 
F 3 HOH   46 346 52  HOH   HOH B . 
F 3 HOH   47 347 108 HOH   HOH B . 
F 3 HOH   48 348 54  HOH   HOH B . 
F 3 HOH   49 349 2   HOH   HOH B . 
F 3 HOH   50 350 110 HOH   HOH B . 
F 3 HOH   51 351 40  HOH   HOH B . 
F 3 HOH   52 352 95  HOH   HOH B . 
F 3 HOH   53 353 83  HOH   HOH B . 
F 3 HOH   54 354 132 HOH   HOH B . 
F 3 HOH   55 355 117 HOH   HOH B . 
F 3 HOH   56 356 121 HOH   HOH B . 
F 3 HOH   57 357 116 HOH   HOH B . 
F 3 HOH   58 358 1   HOH   HOH B . 
F 3 HOH   59 359 92  HOH   HOH B . 
F 3 HOH   60 360 131 HOH   HOH B . 
F 3 HOH   61 361 97  HOH   HOH B . 
F 3 HOH   62 362 109 HOH   HOH B . 
F 3 HOH   63 363 115 HOH   HOH B . 
F 3 HOH   64 364 91  HOH   HOH B . 
F 3 HOH   65 365 26  HOH   HOH B . 
F 3 HOH   66 366 44  HOH   HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A GLU 20  ? CG  ? A GLU 8   CG  
2  1 Y 1 A GLU 20  ? CD  ? A GLU 8   CD  
3  1 Y 1 A GLU 20  ? OE1 ? A GLU 8   OE1 
4  1 Y 1 A GLU 20  ? OE2 ? A GLU 8   OE2 
5  1 Y 1 A GLU 44  ? CG  ? A GLU 32  CG  
6  1 Y 1 A GLU 44  ? CD  ? A GLU 32  CD  
7  1 Y 1 A GLU 44  ? OE1 ? A GLU 32  OE1 
8  1 Y 1 A GLU 44  ? OE2 ? A GLU 32  OE2 
9  1 Y 1 A ASN 63  ? CG  ? A ASN 51  CG  
10 1 Y 1 A ASN 63  ? OD1 ? A ASN 51  OD1 
11 1 Y 1 A ASN 63  ? ND2 ? A ASN 51  ND2 
12 1 Y 1 A LYS 65  ? CG  ? A LYS 53  CG  
13 1 Y 1 A LYS 65  ? CD  ? A LYS 53  CD  
14 1 Y 1 A LYS 65  ? CE  ? A LYS 53  CE  
15 1 Y 1 A LYS 65  ? NZ  ? A LYS 53  NZ  
16 1 Y 1 A LYS 66  ? CG  ? A LYS 54  CG  
17 1 Y 1 A LYS 66  ? CD  ? A LYS 54  CD  
18 1 Y 1 A LYS 66  ? CE  ? A LYS 54  CE  
19 1 Y 1 A LYS 66  ? NZ  ? A LYS 54  NZ  
20 1 Y 1 A ARG 73  ? CG  ? A ARG 61  CG  
21 1 Y 1 A ARG 73  ? CD  ? A ARG 61  CD  
22 1 Y 1 A ARG 73  ? NE  ? A ARG 61  NE  
23 1 Y 1 A ARG 73  ? CZ  ? A ARG 61  CZ  
24 1 Y 1 A ARG 73  ? NH1 ? A ARG 61  NH1 
25 1 Y 1 A ARG 73  ? NH2 ? A ARG 61  NH2 
26 1 Y 1 A ASN 74  ? CG  ? A ASN 62  CG  
27 1 Y 1 A ASN 74  ? OD1 ? A ASN 62  OD1 
28 1 Y 1 A ASN 74  ? ND2 ? A ASN 62  ND2 
29 1 Y 1 A LYS 83  ? CG  ? A LYS 71  CG  
30 1 Y 1 A LYS 83  ? CD  ? A LYS 71  CD  
31 1 Y 1 A LYS 83  ? CE  ? A LYS 71  CE  
32 1 Y 1 A LYS 83  ? NZ  ? A LYS 71  NZ  
33 1 Y 1 A LYS 88  ? CG  ? A LYS 76  CG  
34 1 Y 1 A LYS 88  ? CD  ? A LYS 76  CD  
35 1 Y 1 A LYS 88  ? CE  ? A LYS 76  CE  
36 1 Y 1 A LYS 88  ? NZ  ? A LYS 76  NZ  
37 1 Y 1 A LYS 121 ? NZ  ? A LYS 109 NZ  
38 1 Y 1 A LYS 138 ? CG  ? A LYS 126 CG  
39 1 Y 1 A LYS 138 ? CD  ? A LYS 126 CD  
40 1 Y 1 A LYS 138 ? CE  ? A LYS 126 CE  
41 1 Y 1 A LYS 138 ? NZ  ? A LYS 126 NZ  
42 1 Y 1 A GLU 140 ? CG  ? A GLU 128 CG  
43 1 Y 1 A GLU 140 ? CD  ? A GLU 128 CD  
44 1 Y 1 A GLU 140 ? OE1 ? A GLU 128 OE1 
45 1 Y 1 A GLU 140 ? OE2 ? A GLU 128 OE2 
46 1 Y 1 B GLU 44  ? CG  ? B GLU 32  CG  
47 1 Y 1 B GLU 44  ? CD  ? B GLU 32  CD  
48 1 Y 1 B GLU 44  ? OE1 ? B GLU 32  OE1 
49 1 Y 1 B GLU 44  ? OE2 ? B GLU 32  OE2 
50 1 Y 1 B GLU 45  ? CG  ? B GLU 33  CG  
51 1 Y 1 B GLU 45  ? CD  ? B GLU 33  CD  
52 1 Y 1 B GLU 45  ? OE1 ? B GLU 33  OE1 
53 1 Y 1 B GLU 45  ? OE2 ? B GLU 33  OE2 
54 1 Y 1 B LYS 52  ? CG  ? B LYS 40  CG  
55 1 Y 1 B LYS 52  ? CD  ? B LYS 40  CD  
56 1 Y 1 B LYS 52  ? CE  ? B LYS 40  CE  
57 1 Y 1 B LYS 52  ? NZ  ? B LYS 40  NZ  
58 1 Y 1 B LYS 58  ? CG  ? B LYS 46  CG  
59 1 Y 1 B LYS 58  ? CD  ? B LYS 46  CD  
60 1 Y 1 B LYS 58  ? CE  ? B LYS 46  CE  
61 1 Y 1 B LYS 58  ? NZ  ? B LYS 46  NZ  
62 1 Y 1 B ASN 63  ? CG  ? B ASN 51  CG  
63 1 Y 1 B ASN 63  ? OD1 ? B ASN 51  OD1 
64 1 Y 1 B ASN 63  ? ND2 ? B ASN 51  ND2 
65 1 Y 1 B LYS 65  ? CG  ? B LYS 53  CG  
66 1 Y 1 B LYS 65  ? CD  ? B LYS 53  CD  
67 1 Y 1 B LYS 65  ? CE  ? B LYS 53  CE  
68 1 Y 1 B LYS 65  ? NZ  ? B LYS 53  NZ  
69 1 Y 1 B LYS 66  ? CG  ? B LYS 54  CG  
70 1 Y 1 B LYS 66  ? CD  ? B LYS 54  CD  
71 1 Y 1 B LYS 66  ? CE  ? B LYS 54  CE  
72 1 Y 1 B LYS 66  ? NZ  ? B LYS 54  NZ  
73 1 Y 1 B ARG 73  ? CG  ? B ARG 61  CG  
74 1 Y 1 B ARG 73  ? CD  ? B ARG 61  CD  
75 1 Y 1 B ARG 73  ? NE  ? B ARG 61  NE  
76 1 Y 1 B ARG 73  ? CZ  ? B ARG 61  CZ  
77 1 Y 1 B ARG 73  ? NH1 ? B ARG 61  NH1 
78 1 Y 1 B ARG 73  ? NH2 ? B ARG 61  NH2 
79 1 Y 1 B ASN 74  ? CG  ? B ASN 62  CG  
80 1 Y 1 B ASN 74  ? OD1 ? B ASN 62  OD1 
81 1 Y 1 B ASN 74  ? ND2 ? B ASN 62  ND2 
82 1 Y 1 B LYS 83  ? CG  ? B LYS 71  CG  
83 1 Y 1 B LYS 83  ? CD  ? B LYS 71  CD  
84 1 Y 1 B LYS 83  ? CE  ? B LYS 71  CE  
85 1 Y 1 B LYS 83  ? NZ  ? B LYS 71  NZ  
86 1 Y 1 B LYS 88  ? CG  ? B LYS 76  CG  
87 1 Y 1 B LYS 88  ? CD  ? B LYS 76  CD  
88 1 Y 1 B LYS 88  ? CE  ? B LYS 76  CE  
89 1 Y 1 B LYS 88  ? NZ  ? B LYS 76  NZ  
90 1 Y 1 B LYS 138 ? CG  ? B LYS 126 CG  
91 1 Y 1 B LYS 138 ? CD  ? B LYS 126 CD  
92 1 Y 1 B LYS 138 ? CE  ? B LYS 126 CE  
93 1 Y 1 B LYS 138 ? NZ  ? B LYS 126 NZ  
94 1 Y 1 B GLU 140 ? CG  ? B GLU 128 CG  
95 1 Y 1 B GLU 140 ? CD  ? B GLU 128 CD  
96 1 Y 1 B GLU 140 ? OE1 ? B GLU 128 OE1 
97 1 Y 1 B 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                     9GPL 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     48.882 
_cell.length_a_esd                 ? 
_cell.length_b                     48.882 
_cell.length_b_esd                 ? 
_cell.length_c                     196.535 
_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                         9GPL 
_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                   9GPL 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.42 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          49.18 
_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    '14% 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         2023-05-20 
_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                                       9GPL 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.80 
_reflns.d_resolution_low                               49.13 
_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                                     26384 
_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                                10.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          16.5 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.02 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.086 
_reflns.pdbx_Rpim_I_all                                0.036 
_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                              0.079 
_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 49.13 ? 54.1 ? ? ? ? 283  ? ? ? ? ? ? ? ? ? ? ? 7.9  0.96 ? ? 0.031 0.013 ? 1 ? 1.000 ? ? 99.7  ? 0.028 ? ? ? ? ? ? ? ? ? 
1.80 1.84  ? 1.6  ? ? ? ? 1523 ? ? ? ? ? ? ? ? ? ? ? 11.2 1.05 ? ? 1.631 0.666 ? 2 ? 0.666 ? ? 100.0 ? 1.487 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            -0.375 
_refine.aniso_B[1][2]                            -0.187 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.375 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            1.216 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               36.472 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.955 
_refine.correlation_coeff_Fo_to_Fc_free          0.948 
_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                                 9GPL 
_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                            1.800 
_refine.ls_d_res_low                             42.369 
_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                     26314 
_refine.ls_number_reflns_R_free                  1386 
_refine.ls_number_reflns_R_work                  24928 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.973 
_refine.ls_percent_reflns_R_free                 5.267 
_refine.ls_R_factor_all                          0.206 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2403 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2044 
_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                       0.134 
_refine.pdbx_overall_ESU_R_Free                  0.128 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             6.921 
_refine.overall_SU_ML                            0.106 
_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                       1.800 
_refine_hist.d_res_low                        42.369 
_refine_hist.number_atoms_solvent             126 
_refine_hist.number_atoms_total               2081 
_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        1877 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         78 
_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  2029 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1867 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 2.320  1.813  2753 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.789  1.740  4347 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 8.360  5.000  258  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 30.028 13.571 14   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.220 10.000 305  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.524 10.000 70   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.122  0.200  300  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.013  0.020  2318 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  414  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.212  0.200  371  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.199  0.200  1694 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.183  0.200  997  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.093  0.200  1064 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.170  0.200  111  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.185  0.200  13   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.211  0.200  33   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.222  0.200  21   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.588  2.010  1032 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.585  2.010  1032 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.352  3.603  1290 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.352  3.605  1291 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.971  2.137  997  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.969  2.137  998  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.215  3.826  1463 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.213  3.825  1464 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.421  21.066 2256 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.421  20.096 2230 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 0.100  0.050  3611 ? 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 ? ? 0.10023 ? 0.05008 1 'Local ncs' ? A ? ? ? 1 
'X-RAY DIFFRACTION' 2 ? ? 0.10023 ? 0.05008 2 'Local ncs' ? B ? ? ? 1 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.800 1.847  1897 . 101 1796 100.0000 . 0.273 . . 0.271 . . . . . 0.266 . 20 . 0.942 0.926 0.317 
'X-RAY DIFFRACTION' 1.847 1.897  1846 . 85  1761 100.0000 . 0.259 . . 0.255 . . . . . 0.247 . 20 . 0.952 0.930 0.347 
'X-RAY DIFFRACTION' 1.897 1.952  1824 . 77  1747 100.0000 . 0.227 . . 0.226 . . . . . 0.212 . 20 . 0.965 0.958 0.249 
'X-RAY DIFFRACTION' 1.952 2.012  1747 . 83  1664 100.0000 . 0.228 . . 0.226 . . . . . 0.209 . 20 . 0.964 0.955 0.257 
'X-RAY DIFFRACTION' 2.012 2.078  1674 . 102 1571 99.9403  . 0.223 . . 0.218 . . . . . 0.199 . 20 . 0.968 0.934 0.306 
'X-RAY DIFFRACTION' 2.078 2.151  1670 . 74  1596 100.0000 . 0.206 . . 0.205 . . . . . 0.181 . 20 . 0.973 0.969 0.228 
'X-RAY DIFFRACTION' 2.151 2.232  1626 . 97  1529 100.0000 . 0.202 . . 0.199 . . . . . 0.172 . 20 . 0.974 0.959 0.253 
'X-RAY DIFFRACTION' 2.232 2.322  1524 . 80  1444 100.0000 . 0.197 . . 0.194 . . . . . 0.171 . 20 . 0.975 0.961 0.249 
'X-RAY DIFFRACTION' 2.322 2.425  1476 . 82  1394 100.0000 . 0.198 . . 0.196 . . . . . 0.172 . 20 . 0.976 0.964 0.223 
'X-RAY DIFFRACTION' 2.425 2.543  1423 . 94  1329 100.0000 . 0.196 . . 0.191 . . . . . 0.169 . 20 . 0.978 0.957 0.273 
'X-RAY DIFFRACTION' 2.543 2.680  1355 . 60  1295 100.0000 . 0.224 . . 0.221 . . . . . 0.195 . 20 . 0.971 0.948 0.296 
'X-RAY DIFFRACTION' 2.680 2.842  1288 . 74  1214 100.0000 . 0.223 . . 0.221 . . . . . 0.198 . 20 . 0.968 0.964 0.249 
'X-RAY DIFFRACTION' 2.842 3.038  1227 . 83  1144 100.0000 . 0.209 . . 0.206 . . . . . 0.190 . 20 . 0.974 0.952 0.257 
'X-RAY DIFFRACTION' 3.038 3.279  1135 . 67  1068 100.0000 . 0.215 . . 0.213 . . . . . 0.203 . 20 . 0.972 0.959 0.253 
'X-RAY DIFFRACTION' 3.279 3.590  1045 . 43  1002 100.0000 . 0.217 . . 0.216 . . . . . 0.210 . 20 . 0.977 0.979 0.225 
'X-RAY DIFFRACTION' 3.590 4.011  976  . 45  931  100.0000 . 0.190 . . 0.188 . . . . . 0.187 . 20 . 0.982 0.974 0.229 
'X-RAY DIFFRACTION' 4.011 4.624  852  . 43  807  99.7653  . 0.148 . . 0.148 . . . . . 0.155 . 20 . 0.989 0.988 0.143 
'X-RAY DIFFRACTION' 4.624 5.646  754  . 43  711  100.0000 . 0.175 . . 0.173 . . . . . 0.184 . 20 . 0.983 0.979 0.201 
'X-RAY DIFFRACTION' 5.646 7.915  597  . 30  566  99.8325  . 0.236 . . 0.231 . . . . . 0.240 . 20 . 0.975 0.964 0.318 
'X-RAY DIFFRACTION' 7.915 42.369 384  . 23  359  99.4792  . 0.260 . . 0.261 . . . . . 0.275 . 20 . 0.936 0.968 0.232 
# 
loop_
_struct_ncs_dom.id 
_struct_ncs_dom.pdbx_ens_id 
_struct_ncs_dom.details 
1 1 A 
2 1 B 
# 
loop_
_struct_ncs_dom_lim.pdbx_ens_id 
_struct_ncs_dom_lim.dom_id 
_struct_ncs_dom_lim.pdbx_component_id 
_struct_ncs_dom_lim.beg_label_asym_id 
_struct_ncs_dom_lim.beg_label_comp_id 
_struct_ncs_dom_lim.beg_label_seq_id 
_struct_ncs_dom_lim.beg_label_alt_id 
_struct_ncs_dom_lim.end_label_asym_id 
_struct_ncs_dom_lim.end_label_comp_id 
_struct_ncs_dom_lim.end_label_seq_id 
_struct_ncs_dom_lim.end_label_alt_id 
_struct_ncs_dom_lim.beg_auth_asym_id 
_struct_ncs_dom_lim.beg_auth_comp_id 
_struct_ncs_dom_lim.beg_auth_seq_id 
_struct_ncs_dom_lim.end_auth_asym_id 
_struct_ncs_dom_lim.end_auth_comp_id 
_struct_ncs_dom_lim.end_auth_seq_id 
_struct_ncs_dom_lim.pdbx_refine_code 
_struct_ncs_dom_lim.selection_details 
1 1 1 A GLY 1 . A GLU 128 . A GLY 13 A GLU 140 ? ? 
1 2 1 B GLY 1 . B GLU 128 . B GLY 13 B GLU 140 ? ? 
# 
_struct_ncs_ens.id        1 
_struct_ncs_ens.details   'Local NCS retraints between domains:       1       2' 
# 
_struct.entry_id                     9GPL 
_struct.title                        'The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 11c/i' 
_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        9GPL 
_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 9GPL A 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
2 1 9GPL B 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 9GPL GLY A 1  ? UNP Q13451 ?   ?   'expression tag'      13  1  
1 9GPL ALA A 2  ? UNP Q13451 ?   ?   'expression tag'      14  2  
1 9GPL PRO A 3  ? UNP Q13451 ?   ?   'expression tag'      15  3  
1 9GPL THR A 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  4  
1 9GPL ALA A 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 5  
1 9GPL ILE A 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 6  
2 9GPL GLY B 1  ? UNP Q13451 ?   ?   'expression tag'      13  7  
2 9GPL ALA B 2  ? UNP Q13451 ?   ?   'expression tag'      14  8  
2 9GPL PRO B 3  ? UNP Q13451 ?   ?   'expression tag'      15  9  
2 9GPL THR B 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  10 
2 9GPL ALA B 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 11 
2 9GPL ILE B 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 A 13  GLY A 22  1 ? 10 
HELX_P HELX_P2 AA2 HIS A 59 ? ASN A 62  ? HIS A 71  ASN A 74  5 ? 4  
HELX_P HELX_P3 AA3 ILE A 75 ? THR A 84  ? ILE A 87  THR A 96  1 ? 10 
HELX_P HELX_P4 AA4 PRO A 97 ? ALA A 100 ? PRO A 109 ALA A 112 5 ? 4  
HELX_P HELX_P5 AA5 ALA B 2  ? GLY B 10  ? ALA B 14  GLY B 22  1 ? 9  
HELX_P HELX_P6 AA6 HIS B 59 ? ASN B 62  ? HIS B 71  ASN B 74  5 ? 4  
HELX_P HELX_P7 AA7 ILE B 75 ? ALA B 83  ? ILE B 87  ALA B 95  1 ? 9  
HELX_P HELX_P8 AA8 PRO B 97 ? ALA B 100 ? PRO B 109 ALA B 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 A PRO 108 A ? PRO 120 A 1 4.11 
2 LEU 107 B . ? LEU 119 B PRO 108 B ? PRO 120 B 1 1.27 
# 
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 A 23  ASP A 24  
AA1 2 VAL A 21  ? ARG A 27  ? VAL A 33  ARG A 39  
AA1 3 ILE A 90  ? ILE A 95  ? ILE A 102 ILE A 107 
AA1 4 LEU A 116 ? LYS A 126 ? LEU A 128 LYS A 138 
AA1 5 LYS A 40  ? LEU A 49  ? LYS A 52  LEU A 61  
AA1 6 PHE A 55  ? SER A 57  ? PHE A 67  SER A 69  
AA2 1 GLU A 11  ? ASP A 12  ? GLU A 23  ASP A 24  
AA2 2 VAL A 21  ? ARG A 27  ? VAL A 33  ARG A 39  
AA2 3 ILE A 90  ? ILE A 95  ? ILE A 102 ILE A 107 
AA2 4 LEU A 116 ? LYS A 126 ? LEU A 128 LYS A 138 
AA2 5 LYS A 40  ? LEU A 49  ? LYS A 52  LEU A 61  
AA2 6 PHE A 65  ? SER A 68  ? PHE A 77  SER A 80  
AA3 1 GLU B 11  ? ASP B 12  ? GLU B 23  ASP B 24  
AA3 2 VAL B 21  ? ARG B 27  ? VAL B 33  ARG B 39  
AA3 3 ILE B 90  ? ILE B 95  ? ILE B 102 ILE B 107 
AA3 4 LEU B 116 ? LYS B 126 ? LEU B 128 LYS B 138 
AA3 5 LYS B 40  ? LEU B 49  ? LYS B 52  LEU B 61  
AA3 6 PHE B 55  ? SER B 57  ? PHE B 67  SER B 69  
AA4 1 GLU B 11  ? ASP B 12  ? GLU B 23  ASP B 24  
AA4 2 VAL B 21  ? ARG B 27  ? VAL B 33  ARG B 39  
AA4 3 ILE B 90  ? ILE B 95  ? ILE B 102 ILE B 107 
AA4 4 LEU B 116 ? LYS B 126 ? LEU B 128 LYS B 138 
AA4 5 LYS B 40  ? LEU B 49  ? LYS B 52  LEU B 61  
AA4 6 PHE B 65  ? SER B 68  ? PHE B 77  SER B 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 A 23  O LYS A 23  ? O LYS A 35  
AA1 2 3 N ILE A 24  ? N ILE A 36  O HIS A 92  ? O HIS A 104 
AA1 3 4 N ILE A 95  ? N ILE A 107 O LEU A 116 ? O LEU A 128 
AA1 4 5 O LYS A 126 ? O LYS A 138 N LYS A 40  ? N LYS A 52  
AA1 5 6 N GLY A 47  ? N GLY A 59  O ASP A 56  ? O ASP A 68  
AA2 1 2 N GLU A 11  ? N GLU A 23  O LYS A 23  ? O LYS A 35  
AA2 2 3 N ILE A 24  ? N ILE A 36  O HIS A 92  ? O HIS A 104 
AA2 3 4 N ILE A 95  ? N ILE A 107 O LEU A 116 ? O LEU A 128 
AA2 4 5 O LYS A 126 ? O LYS A 138 N LYS A 40  ? N LYS A 52  
AA2 5 6 N VAL A 41  ? N VAL A 53  O PHE A 67  ? O PHE A 79  
AA3 1 2 N GLU B 11  ? N GLU B 23  O LYS B 23  ? O LYS B 35  
AA3 2 3 N LYS B 26  ? N LYS B 38  O ILE B 90  ? O ILE B 102 
AA3 3 4 N ILE B 95  ? N ILE B 107 O LEU B 116 ? O LEU B 128 
AA3 4 5 O LYS B 126 ? O LYS B 138 N LYS B 40  ? N LYS B 52  
AA3 5 6 N GLY B 47  ? N GLY B 59  O ASP B 56  ? O ASP B 68  
AA4 1 2 N GLU B 11  ? N GLU B 23  O LYS B 23  ? O LYS B 35  
AA4 2 3 N LYS B 26  ? N LYS B 38  O ILE B 90  ? O ILE B 102 
AA4 3 4 N ILE B 95  ? N ILE B 107 O LEU B 116 ? O LEU B 128 
AA4 4 5 O LYS B 126 ? O LYS B 138 N LYS B 40  ? N LYS B 52  
AA4 5 6 N VAL B 41  ? N VAL B 53  O PHE B 67  ? O PHE B 79  
# 
_pdbx_entry_details.entry_id                   9GPL 
_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 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   B 
_pdbx_validate_close_contact.auth_comp_id_1   ILE 
_pdbx_validate_close_contact.auth_seq_id_1    49 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   B 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    301 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.19 
# 
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 CB A GLN 21  ? ? CA A GLN 21  ? ? C   A GLN 21  ? ? 93.02  110.40 -17.38 2.00 N 
2 1 CB A LYS 65  ? ? CA A LYS 65  ? ? C   A LYS 65  ? ? 122.43 110.40 12.03  2.00 N 
3 1 CB A LYS 83  ? ? CA A LYS 83  ? ? C   A LYS 83  ? ? 124.60 110.40 14.20  2.00 N 
4 1 CB A LEU 128 ? ? CG A LEU 128 ? ? CD2 A LEU 128 ? ? 123.08 111.00 12.08  1.70 N 
5 1 CD B ARG 39  ? ? NE B ARG 39  ? ? CZ  B ARG 39  ? ? 136.86 123.60 13.26  1.40 N 
6 1 NE B ARG 39  ? ? CZ B ARG 39  ? ? NH1 B ARG 39  ? ? 130.07 120.30 9.77   0.50 N 
7 1 NE B ARG 39  ? ? CZ B ARG 39  ? ? NH2 B ARG 39  ? ? 114.50 120.30 -5.80  0.50 N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN A 63  ? ? -63.52  0.84    
2 1 ASN A 74  ? ? 52.43   14.86   
3 1 ALA A 112 ? ? -131.86 -101.97 
4 1 ALA B 112 ? ? -136.59 -100.67 
5 1 SER B 118 ? ? -159.23 75.46   
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    B 
_pdbx_validate_planes.auth_seq_id     39 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.070 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
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 -10.1244 -15.1713 -29.6646 0.1302 ? 0.0853  ? -0.0075 ? 0.0656 ? -0.0216 ? 0.0531 ? 5.7901 ? 
-0.6652 ? 1.1691 ? 2.8297 ? -0.0073 ? 3.0360 ? 0.3795 ? 0.3028 ? -0.4381 ? -0.2697 ? -0.3134 ? 0.1914 ? 0.1895  ? 0.1529  ? 
-0.0661 ? 
2 'X-RAY DIFFRACTION' ? refined -18.5510 0.4971   -4.0359  0.0485 ? -0.0035 ? -0.0136 ? 0.0129 ? -0.0114 ? 0.1113 ? 3.3896 ? 
-1.3487 ? 0.0756 ? 4.0728 ? 1.0149  ? 3.2113 ? 0.0602 ? 0.0592 ? 0.4476  ? -0.2147 ? -0.1791 ? 0.2511 ? -0.2121 ? -0.0261 ? 0.1189 
? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 ? ? A 13 ? ? ? A 140 ? ALL ? 
2 'X-RAY DIFFRACTION' 2 ? ? B 13 ? ? ? B 140 ? 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 
A1INL C4   C Y N 1   
A1INL C14  C N N 2   
A1INL C5   C Y N 3   
A1INL C6   C Y N 4   
A1INL C11  C Y N 5   
A1INL C7   C Y N 6   
A1INL C8   C N N 7   
A1INL C9   C N N 8   
A1INL C10  C N N 9   
A1INL C12  C Y N 10  
A1INL C13  C N N 11  
A1INL N1   N Y N 12  
A1INL N2   N Y N 13  
A1INL C3   C Y N 14  
A1INL N3   N Y N 15  
A1INL C1   C N N 16  
A1INL O1   O N N 17  
A1INL C2   C Y N 18  
A1INL O2   O N N 19  
A1INL O3   O N N 20  
A1INL C15  C N N 21  
A1INL O4   O N N 22  
A1INL C16  C N N 23  
A1INL O5   O N N 24  
A1INL C17  C N S 25  
A1INL C18  C N N 26  
A1INL C19  C N N 27  
A1INL C20  C N N 28  
A1INL C21  C N N 29  
A1INL N4   N N N 30  
A1INL C22  C N N 31  
A1INL O6   O N N 32  
A1INL C23  C N S 33  
A1INL C24  C N N 34  
A1INL C25  C N N 35  
A1INL C26  C N N 36  
A1INL C27  C N N 37  
A1INL C28  C N N 38  
A1INL C29  C N N 39  
A1INL H17  H N N 40  
A1INL H16  H N N 41  
A1INL H5   H N N 42  
A1INL H13  H N N 43  
A1INL H7   H N N 44  
A1INL H8   H N N 45  
A1INL H6   H N N 46  
A1INL H10  H N N 47  
A1INL H9   H N N 48  
A1INL H11  H N N 49  
A1INL H12  H N N 50  
A1INL H15  H N N 51  
A1INL H14  H N N 52  
A1INL H4   H N N 53  
A1INL H2   H N N 54  
A1INL H3   H N N 55  
A1INL H1   H N N 56  
A1INL H19  H N N 57  
A1INL H18  H N N 58  
A1INL H20  H N N 59  
A1INL H22  H N N 60  
A1INL H21  H N N 61  
A1INL H23  H N N 62  
A1INL H24  H N N 63  
A1INL H25  H N N 64  
A1INL H26  H N N 65  
A1INL H27  H N N 66  
A1INL H28  H N N 67  
A1INL H29  H N N 68  
A1INL H30  H N N 69  
A1INL H31  H N N 70  
A1INL H32  H N N 71  
A1INL H34  H N N 72  
A1INL H33  H N N 73  
A1INL H36  H N N 74  
A1INL H35  H N N 75  
A1INL H38  H N N 76  
A1INL H37  H N N 77  
A1INL H39  H N N 78  
A1INL H40  H N N 79  
ALA   N    N N N 80  
ALA   CA   C N S 81  
ALA   C    C N N 82  
ALA   O    O N N 83  
ALA   CB   C N N 84  
ALA   OXT  O N N 85  
ALA   H    H N N 86  
ALA   H2   H N N 87  
ALA   HA   H N N 88  
ALA   HB1  H N N 89  
ALA   HB2  H N N 90  
ALA   HB3  H N N 91  
ALA   HXT  H N N 92  
ARG   N    N N N 93  
ARG   CA   C N S 94  
ARG   C    C N N 95  
ARG   O    O N N 96  
ARG   CB   C N N 97  
ARG   CG   C N N 98  
ARG   CD   C N N 99  
ARG   NE   N N N 100 
ARG   CZ   C N N 101 
ARG   NH1  N N N 102 
ARG   NH2  N N N 103 
ARG   OXT  O N N 104 
ARG   H    H N N 105 
ARG   H2   H N N 106 
ARG   HA   H N N 107 
ARG   HB2  H N N 108 
ARG   HB3  H N N 109 
ARG   HG2  H N N 110 
ARG   HG3  H N N 111 
ARG   HD2  H N N 112 
ARG   HD3  H N N 113 
ARG   HE   H N N 114 
ARG   HH11 H N N 115 
ARG   HH12 H N N 116 
ARG   HH21 H N N 117 
ARG   HH22 H N N 118 
ARG   HXT  H N N 119 
ASN   N    N N N 120 
ASN   CA   C N S 121 
ASN   C    C N N 122 
ASN   O    O N N 123 
ASN   CB   C N N 124 
ASN   CG   C N N 125 
ASN   OD1  O N N 126 
ASN   ND2  N N N 127 
ASN   OXT  O N N 128 
ASN   H    H N N 129 
ASN   H2   H N N 130 
ASN   HA   H N N 131 
ASN   HB2  H N N 132 
ASN   HB3  H N N 133 
ASN   HD21 H N N 134 
ASN   HD22 H N N 135 
ASN   HXT  H N N 136 
ASP   N    N N N 137 
ASP   CA   C N S 138 
ASP   C    C N N 139 
ASP   O    O N N 140 
ASP   CB   C N N 141 
ASP   CG   C N N 142 
ASP   OD1  O N N 143 
ASP   OD2  O N N 144 
ASP   OXT  O N N 145 
ASP   H    H N N 146 
ASP   H2   H N N 147 
ASP   HA   H N N 148 
ASP   HB2  H N N 149 
ASP   HB3  H N N 150 
ASP   HD2  H N N 151 
ASP   HXT  H N N 152 
CYS   N    N N N 153 
CYS   CA   C N R 154 
CYS   C    C N N 155 
CYS   O    O N N 156 
CYS   CB   C N N 157 
CYS   SG   S N N 158 
CYS   OXT  O N N 159 
CYS   H    H N N 160 
CYS   H2   H N N 161 
CYS   HA   H N N 162 
CYS   HB2  H N N 163 
CYS   HB3  H N N 164 
CYS   HG   H N N 165 
CYS   HXT  H N N 166 
GLN   N    N N N 167 
GLN   CA   C N S 168 
GLN   C    C N N 169 
GLN   O    O N N 170 
GLN   CB   C N N 171 
GLN   CG   C N N 172 
GLN   CD   C N N 173 
GLN   OE1  O N N 174 
GLN   NE2  N N N 175 
GLN   OXT  O N N 176 
GLN   H    H N N 177 
GLN   H2   H N N 178 
GLN   HA   H N N 179 
GLN   HB2  H N N 180 
GLN   HB3  H N N 181 
GLN   HG2  H N N 182 
GLN   HG3  H N N 183 
GLN   HE21 H N N 184 
GLN   HE22 H N N 185 
GLN   HXT  H N N 186 
GLU   N    N N N 187 
GLU   CA   C N S 188 
GLU   C    C N N 189 
GLU   O    O N N 190 
GLU   CB   C N N 191 
GLU   CG   C N N 192 
GLU   CD   C N N 193 
GLU   OE1  O N N 194 
GLU   OE2  O N N 195 
GLU   OXT  O N N 196 
GLU   H    H N N 197 
GLU   H2   H N N 198 
GLU   HA   H N N 199 
GLU   HB2  H N N 200 
GLU   HB3  H N N 201 
GLU   HG2  H N N 202 
GLU   HG3  H N N 203 
GLU   HE2  H N N 204 
GLU   HXT  H N N 205 
GLY   N    N N N 206 
GLY   CA   C N N 207 
GLY   C    C N N 208 
GLY   O    O N N 209 
GLY   OXT  O N N 210 
GLY   H    H N N 211 
GLY   H2   H N N 212 
GLY   HA2  H N N 213 
GLY   HA3  H N N 214 
GLY   HXT  H N N 215 
HIS   N    N N N 216 
HIS   CA   C N S 217 
HIS   C    C N N 218 
HIS   O    O N N 219 
HIS   CB   C N N 220 
HIS   CG   C Y N 221 
HIS   ND1  N Y N 222 
HIS   CD2  C Y N 223 
HIS   CE1  C Y N 224 
HIS   NE2  N Y N 225 
HIS   OXT  O N N 226 
HIS   H    H N N 227 
HIS   H2   H N N 228 
HIS   HA   H N N 229 
HIS   HB2  H N N 230 
HIS   HB3  H N N 231 
HIS   HD1  H N N 232 
HIS   HD2  H N N 233 
HIS   HE1  H N N 234 
HIS   HE2  H N N 235 
HIS   HXT  H N N 236 
HOH   O    O N N 237 
HOH   H1   H N N 238 
HOH   H2   H N N 239 
ILE   N    N N N 240 
ILE   CA   C N S 241 
ILE   C    C N N 242 
ILE   O    O N N 243 
ILE   CB   C N S 244 
ILE   CG1  C N N 245 
ILE   CG2  C N N 246 
ILE   CD1  C N N 247 
ILE   OXT  O N N 248 
ILE   H    H N N 249 
ILE   H2   H N N 250 
ILE   HA   H N N 251 
ILE   HB   H N N 252 
ILE   HG12 H N N 253 
ILE   HG13 H N N 254 
ILE   HG21 H N N 255 
ILE   HG22 H N N 256 
ILE   HG23 H N N 257 
ILE   HD11 H N N 258 
ILE   HD12 H N N 259 
ILE   HD13 H N N 260 
ILE   HXT  H N N 261 
LEU   N    N N N 262 
LEU   CA   C N S 263 
LEU   C    C N N 264 
LEU   O    O N N 265 
LEU   CB   C N N 266 
LEU   CG   C N N 267 
LEU   CD1  C N N 268 
LEU   CD2  C N N 269 
LEU   OXT  O N N 270 
LEU   H    H N N 271 
LEU   H2   H N N 272 
LEU   HA   H N N 273 
LEU   HB2  H N N 274 
LEU   HB3  H N N 275 
LEU   HG   H N N 276 
LEU   HD11 H N N 277 
LEU   HD12 H N N 278 
LEU   HD13 H N N 279 
LEU   HD21 H N N 280 
LEU   HD22 H N N 281 
LEU   HD23 H N N 282 
LEU   HXT  H N N 283 
LYS   N    N N N 284 
LYS   CA   C N S 285 
LYS   C    C N N 286 
LYS   O    O N N 287 
LYS   CB   C N N 288 
LYS   CG   C N N 289 
LYS   CD   C N N 290 
LYS   CE   C N N 291 
LYS   NZ   N N N 292 
LYS   OXT  O N N 293 
LYS   H    H N N 294 
LYS   H2   H N N 295 
LYS   HA   H N N 296 
LYS   HB2  H N N 297 
LYS   HB3  H N N 298 
LYS   HG2  H N N 299 
LYS   HG3  H N N 300 
LYS   HD2  H N N 301 
LYS   HD3  H N N 302 
LYS   HE2  H N N 303 
LYS   HE3  H N N 304 
LYS   HZ1  H N N 305 
LYS   HZ2  H N N 306 
LYS   HZ3  H N N 307 
LYS   HXT  H N N 308 
MET   N    N N N 309 
MET   CA   C N S 310 
MET   C    C N N 311 
MET   O    O N N 312 
MET   CB   C N N 313 
MET   CG   C N N 314 
MET   SD   S N N 315 
MET   CE   C N N 316 
MET   OXT  O N N 317 
MET   H    H N N 318 
MET   H2   H N N 319 
MET   HA   H N N 320 
MET   HB2  H N N 321 
MET   HB3  H N N 322 
MET   HG2  H N N 323 
MET   HG3  H N N 324 
MET   HE1  H N N 325 
MET   HE2  H N N 326 
MET   HE3  H N N 327 
MET   HXT  H N N 328 
PHE   N    N N N 329 
PHE   CA   C N S 330 
PHE   C    C N N 331 
PHE   O    O N N 332 
PHE   CB   C N N 333 
PHE   CG   C Y N 334 
PHE   CD1  C Y N 335 
PHE   CD2  C Y N 336 
PHE   CE1  C Y N 337 
PHE   CE2  C Y N 338 
PHE   CZ   C Y N 339 
PHE   OXT  O N N 340 
PHE   H    H N N 341 
PHE   H2   H N N 342 
PHE   HA   H N N 343 
PHE   HB2  H N N 344 
PHE   HB3  H N N 345 
PHE   HD1  H N N 346 
PHE   HD2  H N N 347 
PHE   HE1  H N N 348 
PHE   HE2  H N N 349 
PHE   HZ   H N N 350 
PHE   HXT  H N N 351 
PRO   N    N N N 352 
PRO   CA   C N S 353 
PRO   C    C N N 354 
PRO   O    O N N 355 
PRO   CB   C N N 356 
PRO   CG   C N N 357 
PRO   CD   C N N 358 
PRO   OXT  O N N 359 
PRO   H    H N N 360 
PRO   HA   H N N 361 
PRO   HB2  H N N 362 
PRO   HB3  H N N 363 
PRO   HG2  H N N 364 
PRO   HG3  H N N 365 
PRO   HD2  H N N 366 
PRO   HD3  H N N 367 
PRO   HXT  H N N 368 
SER   N    N N N 369 
SER   CA   C N S 370 
SER   C    C N N 371 
SER   O    O N N 372 
SER   CB   C N N 373 
SER   OG   O N N 374 
SER   OXT  O N N 375 
SER   H    H N N 376 
SER   H2   H N N 377 
SER   HA   H N N 378 
SER   HB2  H N N 379 
SER   HB3  H N N 380 
SER   HG   H N N 381 
SER   HXT  H N N 382 
THR   N    N N N 383 
THR   CA   C N S 384 
THR   C    C N N 385 
THR   O    O N N 386 
THR   CB   C N R 387 
THR   OG1  O N N 388 
THR   CG2  C N N 389 
THR   OXT  O N N 390 
THR   H    H N N 391 
THR   H2   H N N 392 
THR   HA   H N N 393 
THR   HB   H N N 394 
THR   HG1  H N N 395 
THR   HG21 H N N 396 
THR   HG22 H N N 397 
THR   HG23 H N N 398 
THR   HXT  H N N 399 
TRP   N    N N N 400 
TRP   CA   C N S 401 
TRP   C    C N N 402 
TRP   O    O N N 403 
TRP   CB   C N N 404 
TRP   CG   C Y N 405 
TRP   CD1  C Y N 406 
TRP   CD2  C Y N 407 
TRP   NE1  N Y N 408 
TRP   CE2  C Y N 409 
TRP   CE3  C Y N 410 
TRP   CZ2  C Y N 411 
TRP   CZ3  C Y N 412 
TRP   CH2  C Y N 413 
TRP   OXT  O N N 414 
TRP   H    H N N 415 
TRP   H2   H N N 416 
TRP   HA   H N N 417 
TRP   HB2  H N N 418 
TRP   HB3  H N N 419 
TRP   HD1  H N N 420 
TRP   HE1  H N N 421 
TRP   HE3  H N N 422 
TRP   HZ2  H N N 423 
TRP   HZ3  H N N 424 
TRP   HH2  H N N 425 
TRP   HXT  H N N 426 
TYR   N    N N N 427 
TYR   CA   C N S 428 
TYR   C    C N N 429 
TYR   O    O N N 430 
TYR   CB   C N N 431 
TYR   CG   C Y N 432 
TYR   CD1  C Y N 433 
TYR   CD2  C Y N 434 
TYR   CE1  C Y N 435 
TYR   CE2  C Y N 436 
TYR   CZ   C Y N 437 
TYR   OH   O N N 438 
TYR   OXT  O N N 439 
TYR   H    H N N 440 
TYR   H2   H N N 441 
TYR   HA   H N N 442 
TYR   HB2  H N N 443 
TYR   HB3  H N N 444 
TYR   HD1  H N N 445 
TYR   HD2  H N N 446 
TYR   HE1  H N N 447 
TYR   HE2  H N N 448 
TYR   HH   H N N 449 
TYR   HXT  H N N 450 
VAL   N    N N N 451 
VAL   CA   C N S 452 
VAL   C    C N N 453 
VAL   O    O N N 454 
VAL   CB   C N N 455 
VAL   CG1  C N N 456 
VAL   CG2  C N N 457 
VAL   OXT  O N N 458 
VAL   H    H N N 459 
VAL   H2   H N N 460 
VAL   HA   H N N 461 
VAL   HB   H N N 462 
VAL   HG11 H N N 463 
VAL   HG12 H N N 464 
VAL   HG13 H N N 465 
VAL   HG21 H N N 466 
VAL   HG22 H N N 467 
VAL   HG23 H N N 468 
VAL   HXT  H N N 469 
# 
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 
A1INL C28 C29  sing N N 1   
A1INL C28 C27  sing N N 2   
A1INL C18 C19  sing N N 3   
A1INL C18 C17  sing N N 4   
A1INL C29 C24  sing N N 5   
A1INL C19 C20  sing N N 6   
A1INL C20 C21  sing N N 7   
A1INL C27 C26  sing N N 8   
A1INL C17 N4   sing N N 9   
A1INL C17 C16  sing N N 10  
A1INL N4  C22  sing N N 11  
A1INL N4  C21  sing N N 12  
A1INL O6  C22  doub N N 13  
A1INL C22 C23  sing N N 14  
A1INL C24 C23  sing N N 15  
A1INL C24 C25  sing N N 16  
A1INL C23 C4   sing N N 17  
A1INL O5  C16  doub N N 18  
A1INL C16 O4   sing N N 19  
A1INL C26 C25  sing N N 20  
A1INL O4  C15  sing N N 21  
A1INL C4  C5   doub Y N 22  
A1INL C4  C3   sing Y N 23  
A1INL C5  C6   sing Y N 24  
A1INL C3  C2   doub Y N 25  
A1INL C15 C14  sing N N 26  
A1INL C13 C14  sing N N 27  
A1INL C13 C12  sing N N 28  
A1INL C11 C12  doub Y N 29  
A1INL C11 N1   sing Y N 30  
A1INL C12 N2   sing Y N 31  
A1INL C6  O3   sing N N 32  
A1INL C6  C7   doub Y N 33  
A1INL C9  C10  sing N N 34  
A1INL C9  O3   sing N N 35  
A1INL C2  C7   sing Y N 36  
A1INL C2  O1   sing N N 37  
A1INL N1  C10  sing N N 38  
A1INL N1  N3   sing Y N 39  
A1INL C1  O1   sing N N 40  
A1INL C7  O2   sing N N 41  
A1INL N2  N3   doub Y N 42  
A1INL O2  C8   sing N N 43  
A1INL C14 H17  sing N N 44  
A1INL C14 H16  sing N N 45  
A1INL C5  H5   sing N N 46  
A1INL C11 H13  sing N N 47  
A1INL C8  H7   sing N N 48  
A1INL C8  H8   sing N N 49  
A1INL C8  H6   sing N N 50  
A1INL C9  H10  sing N N 51  
A1INL C9  H9   sing N N 52  
A1INL C10 H11  sing N N 53  
A1INL C10 H12  sing N N 54  
A1INL C13 H15  sing N N 55  
A1INL C13 H14  sing N N 56  
A1INL C3  H4   sing N N 57  
A1INL C1  H2   sing N N 58  
A1INL C1  H3   sing N N 59  
A1INL C1  H1   sing N N 60  
A1INL C15 H19  sing N N 61  
A1INL C15 H18  sing N N 62  
A1INL C17 H20  sing N N 63  
A1INL C18 H22  sing N N 64  
A1INL C18 H21  sing N N 65  
A1INL C19 H23  sing N N 66  
A1INL C19 H24  sing N N 67  
A1INL C20 H25  sing N N 68  
A1INL C20 H26  sing N N 69  
A1INL C21 H27  sing N N 70  
A1INL C21 H28  sing N N 71  
A1INL C23 H29  sing N N 72  
A1INL C24 H30  sing N N 73  
A1INL C25 H31  sing N N 74  
A1INL C25 H32  sing N N 75  
A1INL C26 H34  sing N N 76  
A1INL C26 H33  sing N N 77  
A1INL C27 H36  sing N N 78  
A1INL C27 H35  sing N N 79  
A1INL C28 H38  sing N N 80  
A1INL C28 H37  sing N N 81  
A1INL C29 H39  sing N N 82  
A1INL C29 H40  sing N N 83  
ALA   N   CA   sing N N 84  
ALA   N   H    sing N N 85  
ALA   N   H2   sing N N 86  
ALA   CA  C    sing N N 87  
ALA   CA  CB   sing N N 88  
ALA   CA  HA   sing N N 89  
ALA   C   O    doub N N 90  
ALA   C   OXT  sing N N 91  
ALA   CB  HB1  sing N N 92  
ALA   CB  HB2  sing N N 93  
ALA   CB  HB3  sing N N 94  
ALA   OXT HXT  sing N N 95  
ARG   N   CA   sing N N 96  
ARG   N   H    sing N N 97  
ARG   N   H2   sing N N 98  
ARG   CA  C    sing N N 99  
ARG   CA  CB   sing N N 100 
ARG   CA  HA   sing N N 101 
ARG   C   O    doub N N 102 
ARG   C   OXT  sing N N 103 
ARG   CB  CG   sing N N 104 
ARG   CB  HB2  sing N N 105 
ARG   CB  HB3  sing N N 106 
ARG   CG  CD   sing N N 107 
ARG   CG  HG2  sing N N 108 
ARG   CG  HG3  sing N N 109 
ARG   CD  NE   sing N N 110 
ARG   CD  HD2  sing N N 111 
ARG   CD  HD3  sing N N 112 
ARG   NE  CZ   sing N N 113 
ARG   NE  HE   sing N N 114 
ARG   CZ  NH1  sing N N 115 
ARG   CZ  NH2  doub N N 116 
ARG   NH1 HH11 sing N N 117 
ARG   NH1 HH12 sing N N 118 
ARG   NH2 HH21 sing N N 119 
ARG   NH2 HH22 sing N N 120 
ARG   OXT HXT  sing N N 121 
ASN   N   CA   sing N N 122 
ASN   N   H    sing N N 123 
ASN   N   H2   sing N N 124 
ASN   CA  C    sing N N 125 
ASN   CA  CB   sing N N 126 
ASN   CA  HA   sing N N 127 
ASN   C   O    doub N N 128 
ASN   C   OXT  sing N N 129 
ASN   CB  CG   sing N N 130 
ASN   CB  HB2  sing N N 131 
ASN   CB  HB3  sing N N 132 
ASN   CG  OD1  doub N N 133 
ASN   CG  ND2  sing N N 134 
ASN   ND2 HD21 sing N N 135 
ASN   ND2 HD22 sing N N 136 
ASN   OXT HXT  sing N N 137 
ASP   N   CA   sing N N 138 
ASP   N   H    sing N N 139 
ASP   N   H2   sing N N 140 
ASP   CA  C    sing N N 141 
ASP   CA  CB   sing N N 142 
ASP   CA  HA   sing N N 143 
ASP   C   O    doub N N 144 
ASP   C   OXT  sing N N 145 
ASP   CB  CG   sing N N 146 
ASP   CB  HB2  sing N N 147 
ASP   CB  HB3  sing N N 148 
ASP   CG  OD1  doub N N 149 
ASP   CG  OD2  sing N N 150 
ASP   OD2 HD2  sing N N 151 
ASP   OXT HXT  sing N N 152 
CYS   N   CA   sing N N 153 
CYS   N   H    sing N N 154 
CYS   N   H2   sing N N 155 
CYS   CA  C    sing N N 156 
CYS   CA  CB   sing N N 157 
CYS   CA  HA   sing N N 158 
CYS   C   O    doub N N 159 
CYS   C   OXT  sing N N 160 
CYS   CB  SG   sing N N 161 
CYS   CB  HB2  sing N N 162 
CYS   CB  HB3  sing N N 163 
CYS   SG  HG   sing N N 164 
CYS   OXT HXT  sing N N 165 
GLN   N   CA   sing N N 166 
GLN   N   H    sing N N 167 
GLN   N   H2   sing N N 168 
GLN   CA  C    sing N N 169 
GLN   CA  CB   sing N N 170 
GLN   CA  HA   sing N N 171 
GLN   C   O    doub N N 172 
GLN   C   OXT  sing N N 173 
GLN   CB  CG   sing N N 174 
GLN   CB  HB2  sing N N 175 
GLN   CB  HB3  sing N N 176 
GLN   CG  CD   sing N N 177 
GLN   CG  HG2  sing N N 178 
GLN   CG  HG3  sing N N 179 
GLN   CD  OE1  doub N N 180 
GLN   CD  NE2  sing N N 181 
GLN   NE2 HE21 sing N N 182 
GLN   NE2 HE22 sing N N 183 
GLN   OXT HXT  sing N N 184 
GLU   N   CA   sing N N 185 
GLU   N   H    sing N N 186 
GLU   N   H2   sing N N 187 
GLU   CA  C    sing N N 188 
GLU   CA  CB   sing N N 189 
GLU   CA  HA   sing N N 190 
GLU   C   O    doub N N 191 
GLU   C   OXT  sing N N 192 
GLU   CB  CG   sing N N 193 
GLU   CB  HB2  sing N N 194 
GLU   CB  HB3  sing N N 195 
GLU   CG  CD   sing N N 196 
GLU   CG  HG2  sing N N 197 
GLU   CG  HG3  sing N N 198 
GLU   CD  OE1  doub N N 199 
GLU   CD  OE2  sing N N 200 
GLU   OE2 HE2  sing N N 201 
GLU   OXT HXT  sing N N 202 
GLY   N   CA   sing N N 203 
GLY   N   H    sing N N 204 
GLY   N   H2   sing N N 205 
GLY   CA  C    sing N N 206 
GLY   CA  HA2  sing N N 207 
GLY   CA  HA3  sing N N 208 
GLY   C   O    doub N N 209 
GLY   C   OXT  sing N N 210 
GLY   OXT HXT  sing N N 211 
HIS   N   CA   sing N N 212 
HIS   N   H    sing N N 213 
HIS   N   H2   sing N N 214 
HIS   CA  C    sing N N 215 
HIS   CA  CB   sing N N 216 
HIS   CA  HA   sing N N 217 
HIS   C   O    doub N N 218 
HIS   C   OXT  sing N N 219 
HIS   CB  CG   sing N N 220 
HIS   CB  HB2  sing N N 221 
HIS   CB  HB3  sing N N 222 
HIS   CG  ND1  sing Y N 223 
HIS   CG  CD2  doub Y N 224 
HIS   ND1 CE1  doub Y N 225 
HIS   ND1 HD1  sing N N 226 
HIS   CD2 NE2  sing Y N 227 
HIS   CD2 HD2  sing N N 228 
HIS   CE1 NE2  sing Y N 229 
HIS   CE1 HE1  sing N N 230 
HIS   NE2 HE2  sing N N 231 
HIS   OXT HXT  sing N N 232 
HOH   O   H1   sing N N 233 
HOH   O   H2   sing N N 234 
ILE   N   CA   sing N N 235 
ILE   N   H    sing N N 236 
ILE   N   H2   sing N N 237 
ILE   CA  C    sing N N 238 
ILE   CA  CB   sing N N 239 
ILE   CA  HA   sing N N 240 
ILE   C   O    doub N N 241 
ILE   C   OXT  sing N N 242 
ILE   CB  CG1  sing N N 243 
ILE   CB  CG2  sing N N 244 
ILE   CB  HB   sing N N 245 
ILE   CG1 CD1  sing N N 246 
ILE   CG1 HG12 sing N N 247 
ILE   CG1 HG13 sing N N 248 
ILE   CG2 HG21 sing N N 249 
ILE   CG2 HG22 sing N N 250 
ILE   CG2 HG23 sing N N 251 
ILE   CD1 HD11 sing N N 252 
ILE   CD1 HD12 sing N N 253 
ILE   CD1 HD13 sing N N 254 
ILE   OXT HXT  sing N N 255 
LEU   N   CA   sing N N 256 
LEU   N   H    sing N N 257 
LEU   N   H2   sing N N 258 
LEU   CA  C    sing N N 259 
LEU   CA  CB   sing N N 260 
LEU   CA  HA   sing N N 261 
LEU   C   O    doub N N 262 
LEU   C   OXT  sing N N 263 
LEU   CB  CG   sing N N 264 
LEU   CB  HB2  sing N N 265 
LEU   CB  HB3  sing N N 266 
LEU   CG  CD1  sing N N 267 
LEU   CG  CD2  sing N N 268 
LEU   CG  HG   sing N N 269 
LEU   CD1 HD11 sing N N 270 
LEU   CD1 HD12 sing N N 271 
LEU   CD1 HD13 sing N N 272 
LEU   CD2 HD21 sing N N 273 
LEU   CD2 HD22 sing N N 274 
LEU   CD2 HD23 sing N N 275 
LEU   OXT HXT  sing N N 276 
LYS   N   CA   sing N N 277 
LYS   N   H    sing N N 278 
LYS   N   H2   sing N N 279 
LYS   CA  C    sing N N 280 
LYS   CA  CB   sing N N 281 
LYS   CA  HA   sing N N 282 
LYS   C   O    doub N N 283 
LYS   C   OXT  sing N N 284 
LYS   CB  CG   sing N N 285 
LYS   CB  HB2  sing N N 286 
LYS   CB  HB3  sing N N 287 
LYS   CG  CD   sing N N 288 
LYS   CG  HG2  sing N N 289 
LYS   CG  HG3  sing N N 290 
LYS   CD  CE   sing N N 291 
LYS   CD  HD2  sing N N 292 
LYS   CD  HD3  sing N N 293 
LYS   CE  NZ   sing N N 294 
LYS   CE  HE2  sing N N 295 
LYS   CE  HE3  sing N N 296 
LYS   NZ  HZ1  sing N N 297 
LYS   NZ  HZ2  sing N N 298 
LYS   NZ  HZ3  sing N N 299 
LYS   OXT HXT  sing N N 300 
MET   N   CA   sing N N 301 
MET   N   H    sing N N 302 
MET   N   H2   sing N N 303 
MET   CA  C    sing N N 304 
MET   CA  CB   sing N N 305 
MET   CA  HA   sing N N 306 
MET   C   O    doub N N 307 
MET   C   OXT  sing N N 308 
MET   CB  CG   sing N N 309 
MET   CB  HB2  sing N N 310 
MET   CB  HB3  sing N N 311 
MET   CG  SD   sing N N 312 
MET   CG  HG2  sing N N 313 
MET   CG  HG3  sing N N 314 
MET   SD  CE   sing N N 315 
MET   CE  HE1  sing N N 316 
MET   CE  HE2  sing N N 317 
MET   CE  HE3  sing N N 318 
MET   OXT HXT  sing N N 319 
PHE   N   CA   sing N N 320 
PHE   N   H    sing N N 321 
PHE   N   H2   sing N N 322 
PHE   CA  C    sing N N 323 
PHE   CA  CB   sing N N 324 
PHE   CA  HA   sing N N 325 
PHE   C   O    doub N N 326 
PHE   C   OXT  sing N N 327 
PHE   CB  CG   sing N N 328 
PHE   CB  HB2  sing N N 329 
PHE   CB  HB3  sing N N 330 
PHE   CG  CD1  doub Y N 331 
PHE   CG  CD2  sing Y N 332 
PHE   CD1 CE1  sing Y N 333 
PHE   CD1 HD1  sing N N 334 
PHE   CD2 CE2  doub Y N 335 
PHE   CD2 HD2  sing N N 336 
PHE   CE1 CZ   doub Y N 337 
PHE   CE1 HE1  sing N N 338 
PHE   CE2 CZ   sing Y N 339 
PHE   CE2 HE2  sing N N 340 
PHE   CZ  HZ   sing N N 341 
PHE   OXT HXT  sing N N 342 
PRO   N   CA   sing N N 343 
PRO   N   CD   sing N N 344 
PRO   N   H    sing N N 345 
PRO   CA  C    sing N N 346 
PRO   CA  CB   sing N N 347 
PRO   CA  HA   sing N N 348 
PRO   C   O    doub N N 349 
PRO   C   OXT  sing N N 350 
PRO   CB  CG   sing N N 351 
PRO   CB  HB2  sing N N 352 
PRO   CB  HB3  sing N N 353 
PRO   CG  CD   sing N N 354 
PRO   CG  HG2  sing N N 355 
PRO   CG  HG3  sing N N 356 
PRO   CD  HD2  sing N N 357 
PRO   CD  HD3  sing N N 358 
PRO   OXT HXT  sing N N 359 
SER   N   CA   sing N N 360 
SER   N   H    sing N N 361 
SER   N   H2   sing N N 362 
SER   CA  C    sing N N 363 
SER   CA  CB   sing N N 364 
SER   CA  HA   sing N N 365 
SER   C   O    doub N N 366 
SER   C   OXT  sing N N 367 
SER   CB  OG   sing N N 368 
SER   CB  HB2  sing N N 369 
SER   CB  HB3  sing N N 370 
SER   OG  HG   sing N N 371 
SER   OXT HXT  sing N N 372 
THR   N   CA   sing N N 373 
THR   N   H    sing N N 374 
THR   N   H2   sing N N 375 
THR   CA  C    sing N N 376 
THR   CA  CB   sing N N 377 
THR   CA  HA   sing N N 378 
THR   C   O    doub N N 379 
THR   C   OXT  sing N N 380 
THR   CB  OG1  sing N N 381 
THR   CB  CG2  sing N N 382 
THR   CB  HB   sing N N 383 
THR   OG1 HG1  sing N N 384 
THR   CG2 HG21 sing N N 385 
THR   CG2 HG22 sing N N 386 
THR   CG2 HG23 sing N N 387 
THR   OXT HXT  sing N N 388 
TRP   N   CA   sing N N 389 
TRP   N   H    sing N N 390 
TRP   N   H2   sing N N 391 
TRP   CA  C    sing N N 392 
TRP   CA  CB   sing N N 393 
TRP   CA  HA   sing N N 394 
TRP   C   O    doub N N 395 
TRP   C   OXT  sing N N 396 
TRP   CB  CG   sing N N 397 
TRP   CB  HB2  sing N N 398 
TRP   CB  HB3  sing N N 399 
TRP   CG  CD1  doub Y N 400 
TRP   CG  CD2  sing Y N 401 
TRP   CD1 NE1  sing Y N 402 
TRP   CD1 HD1  sing N N 403 
TRP   CD2 CE2  doub Y N 404 
TRP   CD2 CE3  sing Y N 405 
TRP   NE1 CE2  sing Y N 406 
TRP   NE1 HE1  sing N N 407 
TRP   CE2 CZ2  sing Y N 408 
TRP   CE3 CZ3  doub Y N 409 
TRP   CE3 HE3  sing N N 410 
TRP   CZ2 CH2  doub Y N 411 
TRP   CZ2 HZ2  sing N N 412 
TRP   CZ3 CH2  sing Y N 413 
TRP   CZ3 HZ3  sing N N 414 
TRP   CH2 HH2  sing N N 415 
TRP   OXT HXT  sing N N 416 
TYR   N   CA   sing N N 417 
TYR   N   H    sing N N 418 
TYR   N   H2   sing N N 419 
TYR   CA  C    sing N N 420 
TYR   CA  CB   sing N N 421 
TYR   CA  HA   sing N N 422 
TYR   C   O    doub N N 423 
TYR   C   OXT  sing N N 424 
TYR   CB  CG   sing N N 425 
TYR   CB  HB2  sing N N 426 
TYR   CB  HB3  sing N N 427 
TYR   CG  CD1  doub Y N 428 
TYR   CG  CD2  sing Y N 429 
TYR   CD1 CE1  sing Y N 430 
TYR   CD1 HD1  sing N N 431 
TYR   CD2 CE2  doub Y N 432 
TYR   CD2 HD2  sing N N 433 
TYR   CE1 CZ   doub Y N 434 
TYR   CE1 HE1  sing N N 435 
TYR   CE2 CZ   sing Y N 436 
TYR   CE2 HE2  sing N N 437 
TYR   CZ  OH   sing N N 438 
TYR   OH  HH   sing N N 439 
TYR   OXT HXT  sing N N 440 
VAL   N   CA   sing N N 441 
VAL   N   H    sing N N 442 
VAL   N   H2   sing N N 443 
VAL   CA  C    sing N N 444 
VAL   CA  CB   sing N N 445 
VAL   CA  HA   sing N N 446 
VAL   C   O    doub N N 447 
VAL   C   OXT  sing N N 448 
VAL   CB  CG1  sing N N 449 
VAL   CB  CG2  sing N N 450 
VAL   CB  HB   sing N N 451 
VAL   CG1 HG11 sing N N 452 
VAL   CG1 HG12 sing N N 453 
VAL   CG1 HG13 sing N N 454 
VAL   CG2 HG21 sing N N 455 
VAL   CG2 HG22 sing N N 456 
VAL   CG2 HG23 sing N N 457 
VAL   OXT HXT  sing N N 458 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'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                    9GPL 
_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]   0.020457 
_atom_sites.fract_transf_matrix[1][2]   0.011811 
_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]   0.023622 
_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]   0.005088 
_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   ? 4.691   -20.14  -39.05  1   54.72  ? 13  GLY   A N    1 ? 1 
ATOM   2    C CA   . GLY   A 1 1   ? 3.655   -20.792 -38.253 1   53.758 ? 13  GLY   A CA   1 ? 1 
ATOM   3    C C    . GLY   A 1 1   ? 2.308   -20.088 -38.408 1   52.375 ? 13  GLY   A C    1 ? 1 
ATOM   4    O O    . GLY   A 1 1   ? 2.185   -19.044 -39.059 1   55.19  ? 13  GLY   A O    1 ? 1 
ATOM   5    H H1   . GLY   A 1 1   ? 5.481   -20.568 -38.94  1   56.593 ? 13  GLY   A H1   1 c 1 
ATOM   6    H H2   . GLY   A 1 1   ? 4.785   -19.279 -38.789 1   53.827 ? 13  GLY   A H2   1 c 1 
ATOM   7    H H3   . GLY   A 1 1   ? 4.466   -20.159 -39.926 1   56.726 ? 13  GLY   A H3   1 c 1 
ATOM   8    H HA2  . GLY   A 1 1   ? 3.569   -21.725 -38.54  1   55.297 ? 13  GLY   A HA2  1 c 1 
ATOM   9    H HA3  . GLY   A 1 1   ? 3.925   -20.788 -37.305 1   52.262 ? 13  GLY   A HA3  1 c 1 
ATOM   10   N N    . ALA   A 1 2   ? 1.31    -20.617 -37.695 1   49.905 ? 14  ALA   A N    1 ? 1 
ATOM   11   C CA   . ALA   A 1 2   ? -0.012  -20.028 -37.697 1   45.894 ? 14  ALA   A CA   1 ? 1 
ATOM   12   C C    . ALA   A 1 2   ? 0.04    -18.547 -37.35  1   42.712 ? 14  ALA   A C    1 ? 1 
ATOM   13   O O    . ALA   A 1 2   ? -0.609  -17.756 -38.032 1   43.446 ? 14  ALA   A O    1 ? 1 
ATOM   14   C CB   . ALA   A 1 2   ? -0.903  -20.759 -36.746 1   45.318 ? 14  ALA   A CB   1 ? 1 
ATOM   15   H H    . ALA   A 1 2   ? 1.461   -21.368 -37.197 1   49.803 ? 14  ALA   A H    1 c 1 
ATOM   16   H HA   . ALA   A 1 2   ? -0.385  -20.115 -38.618 1   47.704 ? 14  ALA   A HA   1 c 1 
ATOM   17   H HB1  . ALA   A 1 2   ? -1.194  -21.594 -37.149 1   46.516 ? 14  ALA   A HB1  1 c 1 
ATOM   18   H HB2  . ALA   A 1 2   ? -0.425  -20.953 -35.924 1   44.325 ? 14  ALA   A HB2  1 c 1 
ATOM   19   H HB3  . ALA   A 1 2   ? -1.682  -20.214 -36.544 1   43.24  ? 14  ALA   A HB3  1 c 1 
ATOM   20   N N    . PRO   A 1 3   ? 0.747   -18.092 -36.311 1   39.668 ? 15  PRO   A N    1 ? 1 
ATOM   21   C CA   . PRO   A 1 3   ? 0.769   -16.67  -36.014 1   39.536 ? 15  PRO   A CA   1 ? 1 
ATOM   22   C C    . PRO   A 1 3   ? 1.295   -15.782 -37.147 1   43.878 ? 15  PRO   A C    1 ? 1 
ATOM   23   O O    . PRO   A 1 3   ? 0.668   -14.744 -37.438 1   45.709 ? 15  PRO   A O    1 ? 1 
ATOM   24   C CB   . PRO   A 1 3   ? 1.502   -16.602 -34.71  1   38.989 ? 15  PRO   A CB   1 ? 1 
ATOM   25   C CG   . PRO   A 1 3   ? 1.329   -17.999 -34.068 1   39.051 ? 15  PRO   A CG   1 ? 1 
ATOM   26   C CD   . PRO   A 1 3   ? 1.34    -18.901 -35.234 1   42.647 ? 15  PRO   A CD   1 ? 1 
ATOM   27   H HA   . PRO   A 1 3   ? -0.152  -16.392 -35.829 1   38.372 ? 15  PRO   A HA   1 c 1 
ATOM   28   H HB2  . PRO   A 1 3   ? 2.447   -16.403 -34.855 1   40.067 ? 15  PRO   A HB2  1 c 1 
ATOM   29   H HB3  . PRO   A 1 3   ? 1.122   -15.909 -34.136 1   37.207 ? 15  PRO   A HB3  1 c 1 
ATOM   30   H HG2  . PRO   A 1 3   ? 2.067   -18.203 -33.46  1   39.477 ? 15  PRO   A HG2  1 c 1 
ATOM   31   H HG3  . PRO   A 1 3   ? 0.484   -18.064 -33.582 1   37.773 ? 15  PRO   A HG3  1 c 1 
ATOM   32   H HD2  . PRO   A 1 3   ? 2.249   -19.17  -35.465 1   43.363 ? 15  PRO   A HD2  1 c 1 
ATOM   33   H HD3  . PRO   A 1 3   ? 0.807   -19.696 -35.061 1   41.627 ? 15  PRO   A HD3  1 c 1 
ATOM   34   N N    . ALA   A 1 4   ? 2.386   -16.169 -37.801 1   45.25  ? 16  ALA   A N    1 ? 1 
ATOM   35   C CA   . ALA   A 1 4   ? 2.937   -15.404 -38.918 1   45.875 ? 16  ALA   A CA   1 ? 1 
ATOM   36   C C    . ALA   A 1 4   ? 1.934   -15.352 -40.047 1   50.732 ? 16  ALA   A C    1 ? 1 
ATOM   37   O O    . ALA   A 1 4   ? 1.869   -14.371 -40.77  1   58.022 ? 16  ALA   A O    1 ? 1 
ATOM   38   C CB   . ALA   A 1 4   ? 4.219   -16.031 -39.456 1   50.794 ? 16  ALA   A CB   1 ? 1 
ATOM   39   H H    . ALA   A 1 4   ? 2.811   -16.937 -37.545 1   45.661 ? 16  ALA   A H    1 c 1 
ATOM   40   H HA   . ALA   A 1 4   ? 3.121   -14.474 -38.61  1   46.446 ? 16  ALA   A HA   1 c 1 
ATOM   41   H HB1  . ALA   A 1 4   ? 4.884   -16.074 -38.749 1   49.842 ? 16  ALA   A HB1  1 c 1 
ATOM   42   H HB2  . ALA   A 1 4   ? 4.034   -16.929 -39.779 1   51.288 ? 16  ALA   A HB2  1 c 1 
ATOM   43   H HB3  . ALA   A 1 4   ? 4.564   -15.492 -40.188 1   52.176 ? 16  ALA   A HB3  1 c 1 
ATOM   44   N N    . THR   A 1 5   ? 1.225   -16.452 -40.287 1   52.079 ? 17  THR   A N    1 ? 1 
ATOM   45   C CA   . THR   A 1 5   ? 0.283   -16.462 -41.388 1   55.745 ? 17  THR   A CA   1 ? 1 
ATOM   46   C C    . THR   A 1 5   ? -0.786  -15.4   -41.089 1   49.433 ? 17  THR   A C    1 ? 1 
ATOM   47   O O    . THR   A 1 5   ? -1.269  -14.714 -41.971 1   55.129 ? 17  THR   A O    1 ? 1 
ATOM   48   C CB   . THR   A 1 5   ? -0.282  -17.879 -41.558 1   59.993 ? 17  THR   A CB   1 ? 1 
ATOM   49   O OG1  . THR   A 1 5   ? 0.787   -18.669 -42.078 1   63.804 ? 17  THR   A OG1  1 ? 1 
ATOM   50   C CG2  . THR   A 1 5   ? -1.41   -18.021 -42.561 1   57.354 ? 17  THR   A CG2  1 ? 1 
ATOM   51   H H    . THR   A 1 5   ? 1.331   -17.2   -39.774 1   51.829 ? 17  THR   A H    1 c 1 
ATOM   52   H HA   . THR   A 1 5   ? 0.758   -16.213 -42.21  1   57.527 ? 17  THR   A HA   1 c 1 
ATOM   53   H HB   . THR   A 1 5   ? -0.566  -18.241 -40.685 1   56.649 ? 17  THR   A HB   1 c 1 
ATOM   54   H HG1  . THR   A 1 5   ? 1.178   -18.365 -42.684 0   30     ? 17  THR   A HG1  1 c 1 
ATOM   55   H HG21 . THR   A 1 5   ? -1.595  -18.963 -42.712 1   59.569 ? 17  THR   A HG21 1 c 1 
ATOM   56   H HG22 . THR   A 1 5   ? -1.152  -17.604 -43.401 1   60.507 ? 17  THR   A HG22 1 c 1 
ATOM   57   H HG23 . THR   A 1 5   ? -2.209  -17.587 -42.217 1   56.479 ? 17  THR   A HG23 1 c 1 
ATOM   58   N N    . VAL   A 1 6   ? -1.166  -15.245 -39.836 1   48.296 ? 18  VAL   A N    1 ? 1 
ATOM   59   C CA   . VAL   A 1 6   ? -2.174  -14.258 -39.498 1   43.441 ? 18  VAL   A CA   1 ? 1 
ATOM   60   C C    . VAL   A 1 6   ? -1.612  -12.851 -39.646 1   44.637 ? 18  VAL   A C    1 ? 1 
ATOM   61   O O    . VAL   A 1 6   ? -2.302  -11.99  -40.158 1   47.146 ? 18  VAL   A O    1 ? 1 
ATOM   62   C CB   . VAL   A 1 6   ? -2.771  -14.472 -38.103 1   39.466 ? 18  VAL   A CB   1 ? 1 
ATOM   63   C CG1  . VAL   A 1 6   ? -3.831  -13.402 -37.858 1   36.042 ? 18  VAL   A CG1  1 ? 1 
ATOM   64   C CG2  . VAL   A 1 6   ? -3.371  -15.879 -37.989 1   39.575 ? 18  VAL   A CG2  1 ? 1 
ATOM   65   H H    . VAL   A 1 6   ? -0.802  -15.759 -39.174 1   46.382 ? 18  VAL   A H    1 c 1 
ATOM   66   H HA   . VAL   A 1 6   ? -2.901  -14.352 -40.141 1   44.683 ? 18  VAL   A HA   1 c 1 
ATOM   67   H HB   . VAL   A 1 6   ? -2.045  -14.37  -37.443 1   38.682 ? 18  VAL   A HB   1 c 1 
ATOM   68   H HG11 . VAL   A 1 6   ? -4.344  -13.259 -38.671 1   37.701 ? 18  VAL   A HG11 1 c 1 
ATOM   69   H HG12 . VAL   A 1 6   ? -3.401  -12.571 -37.596 1   36.265 ? 18  VAL   A HG12 1 c 1 
ATOM   70   H HG13 . VAL   A 1 6   ? -4.428  -13.694 -37.148 1   35.033 ? 18  VAL   A HG13 1 c 1 
ATOM   71   H HG21 . VAL   A 1 6   ? -3.788  -15.984 -37.117 1   37.799 ? 18  VAL   A HG21 1 c 1 
ATOM   72   H HG22 . VAL   A 1 6   ? -2.672  -16.543 -38.092 1   40.748 ? 18  VAL   A HG22 1 c 1 
ATOM   73   H HG23 . VAL   A 1 6   ? -4.039  -16.004 -38.684 1   40.433 ? 18  VAL   A HG23 1 c 1 
ATOM   74   N N    . THR   A 1 7   ? -0.393  -12.596 -39.193 1   46.774 ? 19  THR   A N    1 ? 1 
ATOM   75   C CA   . THR   A 1 7   ? 0.272   -11.33  -39.48  1   52.809 ? 19  THR   A CA   1 ? 1 
ATOM   76   C C    . THR   A 1 7   ? 0.214   -10.999 -40.986 1   62.02  ? 19  THR   A C    1 ? 1 
ATOM   77   O O    . THR   A 1 7   ? -0.092  -9.876  -41.356 1   64.753 ? 19  THR   A O    1 ? 1 
ATOM   78   C CB   . THR   A 1 7   ? 1.723   -11.401 -39.014 1   57.982 ? 19  THR   A CB   1 ? 1 
ATOM   79   O OG1  . THR   A 1 7   ? 1.68    -11.422 -37.598 1   49.237 ? 19  THR   A OG1  1 ? 1 
ATOM   80   C CG2  . THR   A 1 7   ? 2.568   -10.224 -39.466 1   60.237 ? 19  THR   A CG2  1 ? 1 
ATOM   81   H H    . THR   A 1 7   ? 0.042   -13.221 -38.686 1   46.878 ? 19  THR   A H    1 c 1 
ATOM   82   H HA   . THR   A 1 7   ? -0.184  -10.618 -38.98  1   52.064 ? 19  THR   A HA   1 c 1 
ATOM   83   H HB   . THR   A 1 7   ? 2.136   -12.236 -39.34  1   57.1   ? 19  THR   A HB   1 c 1 
ATOM   84   H HG1  . THR   A 1 7   ? 1.318   -10.831 -37.261 0   30     ? 19  THR   A HG1  1 c 1 
ATOM   85   H HG21 . THR   A 1 7   ? 3.351   -10.149 -38.895 1   60.183 ? 19  THR   A HG21 1 c 1 
ATOM   86   H HG22 . THR   A 1 7   ? 2.045   -9.407  -39.406 1   59.66  ? 19  THR   A HG22 1 c 1 
ATOM   87   H HG23 . THR   A 1 7   ? 2.852   -10.36  -40.386 1   62.627 ? 19  THR   A HG23 1 c 1 
ATOM   88   N N    . GLU   A 1 8   ? 0.453   -11.976 -41.865 1   61.664 ? 20  GLU   A N    1 ? 1 
ATOM   89   C CA   . GLU   A 1 8   ? 0.605   -11.695 -43.288 1   69.408 ? 20  GLU   A CA   1 ? 1 
ATOM   90   C C    . GLU   A 1 8   ? -0.748  -11.662 -44.016 1   63.033 ? 20  GLU   A C    1 ? 1 
ATOM   91   O O    . GLU   A 1 8   ? -0.867  -11.018 -45.031 1   71.797 ? 20  GLU   A O    1 ? 1 
ATOM   92   C CB   . GLU   A 1 8   ? 1.548   -12.716 -43.93  1   72.121 ? 20  GLU   A CB   1 ? 1 
ATOM   93   H H    . GLU   A 1 8   ? 0.527   -12.839 -41.573 1   62.366 ? 20  GLU   A H    1 c 1 
ATOM   94   H HA   . GLU   A 1 8   ? 1.026   -10.802 -43.381 1   68.149 ? 20  GLU   A HA   1 c 1 
ATOM   95   H HB2  . GLU   A 1 8   ? 2.507   -12.462 -43.738 0   30     ? 20  GLU   A HB2  1 c 1 
ATOM   96   H HB3  . GLU   A 1 8   ? 1.014   -13.405 -44.312 0   30     ? 20  GLU   A HB3  1 c 1 
ATOM   97   N N    . GLN   A 1 9   ? -1.748  -12.425 -43.567 1   59.256 ? 21  GLN   A N    1 ? 1 
ATOM   98   C CA   . GLN   A 1 9   ? -2.966  -12.657 -44.344 1   62.414 ? 21  GLN   A CA   1 ? 1 
ATOM   99   C C    . GLN   A 1 9   ? -4.245  -12.254 -43.603 1   52.599 ? 21  GLN   A C    1 ? 1 
ATOM   100  O O    . GLN   A 1 9   ? -5.347  -12.43  -44.149 1   51.225 ? 21  GLN   A O    1 ? 1 
ATOM   101  C CB   . GLN   A 1 9   ? -3.445  -14.098 -44.554 1   68.639 ? 21  GLN   A CB   1 ? 1 
ATOM   102  C CG   . GLN   A 1 9   ? -2.387  -15.163 -44.818 1   74.958 ? 21  GLN   A CG   1 ? 1 
ATOM   103  C CD   . GLN   A 1 9   ? -1.641  -14.895 -46.073 1   75.698 ? 21  GLN   A CD   1 ? 1 
ATOM   104  O OE1  . GLN   A 1 9   ? -2.262  -14.562 -47.073 1   82.255 ? 21  GLN   A OE1  1 ? 1 
ATOM   105  N NE2  . GLN   A 1 9   ? -0.325  -15.028 -46.014 1   86.796 ? 21  GLN   A NE2  1 ? 1 
ATOM   106  H H    . GLN   A 1 9   ? -1.662  -12.838 -42.756 1   58.18  ? 21  GLN   A H    1 c 1 
ATOM   107  H HA   . GLN   A 1 9   ? -2.913  -12.174 -45.207 1   63.935 ? 21  GLN   A HA   1 c 1 
ATOM   108  H HB2  . GLN   A 1 9   ? -3.951  -14.37  -43.762 1   65.253 ? 21  GLN   A HB2  1 c 1 
ATOM   109  H HB3  . GLN   A 1 9   ? -4.07   -14.1   -45.309 1   69.414 ? 21  GLN   A HB3  1 c 1 
ATOM   110  H HG2  . GLN   A 1 9   ? -1.757  -15.19  -44.071 1   71.739 ? 21  GLN   A HG2  1 c 1 
ATOM   111  H HG3  . GLN   A 1 9   ? -2.818  -16.042 -44.882 1   73.412 ? 21  GLN   A HG3  1 c 1 
ATOM   112  H HE21 . GLN   A 1 9   ? 0.194   -14.499 -46.503 1   85.422 ? 21  GLN   A HE21 1 c 1 
ATOM   113  H HE22 . GLN   A 1 9   ? 0.038   -15.644 -45.489 1   82.686 ? 21  GLN   A HE22 1 c 1 
ATOM   114  N N    . GLY   A 1 10  ? -4.079  -11.862 -42.349 1   51.22  ? 22  GLY   A N    1 ? 1 
ATOM   115  C CA   . GLY   A 1 10  ? -5.182  -11.819 -41.403 1   44.349 ? 22  GLY   A CA   1 ? 1 
ATOM   116  C C    . GLY   A 1 10  ? -5.927  -10.516 -41.64  1   44.185 ? 22  GLY   A C    1 ? 1 
ATOM   117  O O    . GLY   A 1 10  ? -5.262  -9.546  -41.97  1   43.695 ? 22  GLY   A O    1 ? 1 
ATOM   118  H H    . GLY   A 1 10  ? -3.255  -11.587 -42.068 1   50.041 ? 22  GLY   A H    1 c 1 
ATOM   119  H HA2  . GLY   A 1 10  ? -5.78   -12.59  -41.546 1   45.128 ? 22  GLY   A HA2  1 c 1 
ATOM   120  H HA3  . GLY   A 1 10  ? -4.837  -11.852 -40.481 1   43.366 ? 22  GLY   A HA3  1 c 1 
ATOM   121  N N    . GLU   A 1 11  ? -7.26   -10.583 -41.628 1   41.838 ? 23  GLU   A N    1 ? 1 
ATOM   122  C CA   . GLU   A 1 11  ? -8.127  -9.408  -41.739 1   40.59  ? 23  GLU   A CA   1 ? 1 
ATOM   123  C C    . GLU   A 1 11  ? -8.134  -8.595  -40.437 1   36.419 ? 23  GLU   A C    1 ? 1 
ATOM   124  O O    . GLU   A 1 11  ? -8.237  -9.176  -39.373 1   29.489 ? 23  GLU   A O    1 ? 1 
ATOM   125  C CB   . GLU   A 1 11  ? -9.493  -9.938  -42.154 1   48     ? 23  GLU   A CB   1 ? 1 
ATOM   126  C CG   . GLU   A 1 11  ? -10.563 -8.867  -42.002 1   55.904 ? 23  GLU   A CG   1 ? 1 
ATOM   127  C CD   . GLU   A 1 11  ? -12.008 -9.256  -42.285 1   69.615 ? 23  GLU   A CD   1 ? 1 
ATOM   128  O OE1  . GLU   A 1 11  ? -12.293 -10.471 -42.457 1   67.359 ? 23  GLU   A OE1  1 ? 1 
ATOM   129  O OE2  . GLU   A 1 11  ? -12.852 -8.303  -42.284 1   68.598 ? 23  GLU   A OE2  1 ? 1 
ATOM   130  H H    . GLU   A 1 11  ? -7.653  -11.404 -41.544 1   41.593 ? 23  GLU   A H    1 c 1 
ATOM   131  H HA   . GLU   A 1 11  ? -7.778  -8.836  -42.469 1   43.608 ? 23  GLU   A HA   1 c 1 
ATOM   132  H HB2  . GLU   A 1 11  ? -9.452  -10.239 -43.086 1   49.837 ? 23  GLU   A HB2  1 c 1 
ATOM   133  H HB3  . GLU   A 1 11  ? -9.724  -10.71  -41.597 1   46.271 ? 23  GLU   A HB3  1 c 1 
ATOM   134  H HG2  . GLU   A 1 11  ? -10.526 -8.521  -41.086 1   54.329 ? 23  GLU   A HG2  1 c 1 
ATOM   135  H HG3  . GLU   A 1 11  ? -10.334 -8.118  -42.593 1   57.966 ? 23  GLU   A HG3  1 c 1 
ATOM   136  N N    . ASP   A 1 12  ? -7.969  -7.269  -40.554 1   35.371 ? 24  ASP   A N    1 ? 1 
ATOM   137  C CA   . ASP   A 1 12  ? -8.035  -6.364  -39.424 1   33.778 ? 24  ASP   A CA   1 ? 1 
ATOM   138  C C    . ASP   A 1 12  ? -9.485  -6.086  -39.057 1   31.623 ? 24  ASP   A C    1 ? 1 
ATOM   139  O O    . ASP   A 1 12  ? -10.201 -5.477  -39.854 1   34.648 ? 24  ASP   A O    1 ? 1 
ATOM   140  C CB   . ASP   A 1 12  ? -7.387  -5.029  -39.713 1   37.097 ? 24  ASP   A CB   1 ? 1 
ATOM   141  C CG   . ASP   A 1 12  ? -7.224  -4.105  -38.51  1   36.347 ? 24  ASP   A CG   1 ? 1 
ATOM   142  O OD1  . ASP   A 1 12  ? -7.862  -4.364  -37.43  1   35.225 ? 24  ASP   A OD1  1 ? 1 
ATOM   143  O OD2  . ASP   A 1 12  ? -6.558  -3.052  -38.708 1   35.416 ? 24  ASP   A OD2  1 ? 1 
ATOM   144  H H    . ASP   A 1 12  ? -7.808  -6.917  -41.382 1   37.953 ? 24  ASP   A H    1 c 1 
ATOM   145  H HA   . ASP   A 1 12  ? -7.582  -6.78   -38.658 1   32.298 ? 24  ASP   A HA   1 c 1 
ATOM   146  H HB2  . ASP   A 1 12  ? -6.495  -5.196  -40.084 1   37.979 ? 24  ASP   A HB2  1 c 1 
ATOM   147  H HB3  . ASP   A 1 12  ? -7.907  -4.556  -40.396 1   38.412 ? 24  ASP   A HB3  1 c 1 
ATOM   148  N N    . ILE   A 1 13  ? -9.941  -6.648  -37.922 1   31.123 ? 25  ILE   A N    1 ? 1 
ATOM   149  C CA   . ILE   A 1 13  ? -11.354 -6.608  -37.597 1   32.49  ? 25  ILE   A CA   1 ? 1 
ATOM   150  C C    . ILE   A 1 13  ? -11.609 -5.585  -36.481 1   34.422 ? 25  ILE   A C    1 ? 1 
ATOM   151  O O    . ILE   A 1 13  ? -12.72  -5.53   -35.954 1   33.932 ? 25  ILE   A O    1 ? 1 
ATOM   152  C CB   . ILE   A 1 13  ? -11.904 -7.999  -37.208 1   32.298 ? 25  ILE   A CB   1 ? 1 
ATOM   153  C CG1  . ILE   A 1 13  ? -11.19  -8.571  -36.029 1   29.691 ? 25  ILE   A CG1  1 ? 1 
ATOM   154  C CG2  . ILE   A 1 13  ? -11.86  -8.972  -38.367 1   34.763 ? 25  ILE   A CG2  1 ? 1 
ATOM   155  C CD1  . ILE   A 1 13  ? -11.868 -9.755  -35.372 1   32.084 ? 25  ILE   A CD1  1 ? 1 
ATOM   156  H H    . ILE   A 1 13  ? -9.358  -7.049  -37.343 1   30.04  ? 25  ILE   A H    1 c 1 
ATOM   157  H HA   . ILE   A 1 13  ? -11.839 -6.311  -38.39  1   34.175 ? 25  ILE   A HA   1 c 1 
ATOM   158  H HB   . ILE   A 1 13  ? -12.841 -7.885  -36.955 1   31.831 ? 25  ILE   A HB   1 c 1 
ATOM   159  H HG12 . ILE   A 1 13  ? -10.295 -8.848  -36.313 1   30.978 ? 25  ILE   A HG12 1 c 1 
ATOM   160  H HG13 . ILE   A 1 13  ? -11.081 -7.868  -35.357 1   29.998 ? 25  ILE   A HG13 1 c 1 
ATOM   161  H HG21 . ILE   A 1 13  ? -12.363 -9.772  -38.14  1   33.939 ? 25  ILE   A HG21 1 c 1 
ATOM   162  H HG22 . ILE   A 1 13  ? -10.938 -9.214  -38.555 1   34.809 ? 25  ILE   A HG22 1 c 1 
ATOM   163  H HG23 . ILE   A 1 13  ? -12.252 -8.558  -39.154 1   35.978 ? 25  ILE   A HG23 1 c 1 
ATOM   164  H HD11 . ILE   A 1 13  ? -12.817 -9.56   -35.249 1   30.884 ? 25  ILE   A HD11 1 c 1 
ATOM   165  H HD12 . ILE   A 1 13  ? -11.459 -9.929  -34.504 1   29.805 ? 25  ILE   A HD12 1 c 1 
ATOM   166  H HD13 . ILE   A 1 13  ? -11.771 -10.543 -35.94  1   31.589 ? 25  ILE   A HD13 1 c 1 
ATOM   167  N N    . THR   A 1 14  ? -10.638 -4.719  -36.158 1   32.074 ? 26  THR   A N    1 ? 1 
ATOM   168  C CA   . THR   A 1 14  ? -10.862 -3.593  -35.257 1   31.537 ? 26  THR   A CA   1 ? 1 
ATOM   169  C C    . THR   A 1 14  ? -11.612 -2.463  -35.951 1   34.194 ? 26  THR   A C    1 ? 1 
ATOM   170  O O    . THR   A 1 14  ? -11.442 -2.254  -37.178 1   35.66  ? 26  THR   A O    1 ? 1 
ATOM   171  C CB   . THR   A 1 14  ? -9.549  -3.087  -34.664 1   29.565 ? 26  THR   A CB   1 ? 1 
ATOM   172  O OG1  . THR   A 1 14  ? -8.774  -2.543  -35.728 1   30.928 ? 26  THR   A OG1  1 ? 1 
ATOM   173  C CG2  . THR   A 1 14  ? -8.8    -4.196  -34.002 1   27.782 ? 26  THR   A CG2  1 ? 1 
ATOM   174  H H    . THR   A 1 14  ? -9.806  -4.828  -36.519 1   33.055 ? 26  THR   A H    1 c 1 
ATOM   175  H HA   . THR   A 1 14  ? -11.417 -3.916  -34.516 1   30.194 ? 26  THR   A HA   1 c 1 
ATOM   176  H HB   . THR   A 1 14  ? -9.734  -2.38   -34.001 1   29.812 ? 26  THR   A HB   1 c 1 
ATOM   177  H HG1  . THR   A 1 14  ? -8.595  -3.171  -36.357 0   30     ? 26  THR   A HG1  1 c 1 
ATOM   178  H HG21 . THR   A 1 14  ? -8.066  -3.827  -33.482 1   27.827 ? 26  THR   A HG21 1 c 1 
ATOM   179  H HG22 . THR   A 1 14  ? -8.446  -4.799  -34.677 1   28.179 ? 26  THR   A HG22 1 c 1 
ATOM   180  H HG23 . THR   A 1 14  ? -9.398  -4.686  -33.413 1   26.535 ? 26  THR   A HG23 1 c 1 
ATOM   181  N N    . SER   A 1 15  ? -12.42  -1.753  -35.126 1   39.032 ? 27  SER   A N    1 ? 1 
ATOM   182  C CA   . SER   A 1 15  ? -13.105 -0.517  -35.508 1   42.019 ? 27  SER   A CA   1 ? 1 
ATOM   183  C C    . SER   A 1 15  ? -12.1   0.551   -35.868 1   39.374 ? 27  SER   A C    1 ? 1 
ATOM   184  O O    . SER   A 1 15  ? -12.256 1.298   -36.857 1   42.441 ? 27  SER   A O    1 ? 1 
ATOM   185  C CB   . SER   A 1 15  ? -14.021 -0.034  -34.397 1   41.684 ? 27  SER   A CB   1 ? 1 
ATOM   186  O OG   . SER   A 1 15  ? -15.066 -0.982  -34.232 1   43.81  ? 27  SER   A OG   1 ? 1 
ATOM   187  H H    . SER   A 1 15  ? -12.547 -2.064  -34.276 1   36.408 ? 27  SER   A H    1 c 1 
ATOM   188  H HA   . SER   A 1 15  ? -13.657 -0.705  -36.309 1   41.758 ? 27  SER   A HA   1 c 1 
ATOM   189  H HB2  . SER   A 1 15  ? -13.516 0.052   -33.566 1   41.611 ? 27  SER   A HB2  1 c 1 
ATOM   190  H HB3  . SER   A 1 15  ? -14.396 0.836   -34.632 1   44.095 ? 27  SER   A HB3  1 c 1 
ATOM   191  H HG   . SER   A 1 15  ? -15.561 -0.678  -33.638 0   30     ? 27  SER   A HG   1 c 1 
ATOM   192  N N    . LYS   A 1 16  ? -11.068 0.659   -35.052 1   38.694 ? 28  LYS   A N    1 ? 1 
ATOM   193  C CA   . LYS   A 1 16  ? -10.044 1.681   -35.273 1   44.816 ? 28  LYS   A CA   1 ? 1 
ATOM   194  C C    . LYS   A 1 16  ? -9.076  1.352   -36.408 1   43.929 ? 28  LYS   A C    1 ? 1 
ATOM   195  O O    . LYS   A 1 16  ? -8.314  2.195   -36.805 1   47.434 ? 28  LYS   A O    1 ? 1 
ATOM   196  C CB   . LYS   A 1 16  ? -9.213  1.853   -34.012 1   46.677 ? 28  LYS   A CB   1 ? 1 
ATOM   197  C CG   . LYS   A 1 16  ? -10.077 2.114   -32.807 1   51.653 ? 28  LYS   A CG   1 ? 1 
ATOM   198  C CD   . LYS   A 1 16  ? -9.898  3.511   -32.272 1   62.965 ? 28  LYS   A CD   1 ? 1 
ATOM   199  C CE   . LYS   A 1 16  ? -8.834  3.487   -31.226 1   69.503 ? 28  LYS   A CE   1 ? 1 
ATOM   200  N NZ   . LYS   A 1 16  ? -9.521  3.213   -29.963 1   65.496 ? 28  LYS   A NZ   1 ? 1 
ATOM   201  H H    . LYS   A 1 16  ? -10.982 0.086   -34.345 1   37.926 ? 28  LYS   A H    1 c 1 
ATOM   202  H HA   . LYS   A 1 16  ? -10.495 2.54    -35.477 1   45.811 ? 28  LYS   A HA   1 c 1 
ATOM   203  H HB2  . LYS   A 1 16  ? -8.688  1.039   -33.855 1   45.77  ? 28  LYS   A HB2  1 c 1 
ATOM   204  H HB3  . LYS   A 1 16  ? -8.588  2.6     -34.131 1   49.115 ? 28  LYS   A HB3  1 c 1 
ATOM   205  H HG2  . LYS   A 1 16  ? -11.019 1.981   -33.049 1   51.553 ? 28  LYS   A HG2  1 c 1 
ATOM   206  H HG3  . LYS   A 1 16  ? -9.847  1.467   -32.106 1   50.373 ? 28  LYS   A HG3  1 c 1 
ATOM   207  H HD2  . LYS   A 1 16  ? -9.636  4.12    -32.996 1   63.991 ? 28  LYS   A HD2  1 c 1 
ATOM   208  H HD3  . LYS   A 1 16  ? -10.742 3.827   -31.881 1   62.359 ? 28  LYS   A HD3  1 c 1 
ATOM   209  H HE2  . LYS   A 1 16  ? -8.17   2.797   -31.404 1   65.971 ? 28  LYS   A HE2  1 c 1 
ATOM   210  H HE3  . LYS   A 1 16  ? -8.39   4.353   -31.176 1   69.135 ? 28  LYS   A HE3  1 c 1 
ATOM   211  H HZ1  . LYS   A 1 16  ? -9.975  2.43    -30.013 1   64.357 ? 28  LYS   A HZ1  1 c 1 
ATOM   212  H HZ2  . LYS   A 1 16  ? -10.1   3.883   -29.768 1   67.249 ? 28  LYS   A HZ2  1 c 1 
ATOM   213  H HZ3  . LYS   A 1 16  ? -8.909  3.154   -29.298 1   65.821 ? 28  LYS   A HZ3  1 c 1 
ATOM   214  N N    . LYS   A 1 17  ? -9.088  0.134   -36.944 1   42.15  ? 29  LYS   A N    1 ? 1 
ATOM   215  C CA   . LYS   A 1 17  ? -8.155  -0.28   -37.985 1   42.097 ? 29  LYS   A CA   1 ? 1 
ATOM   216  C C    . LYS   A 1 17  ? -6.714  -0.036  -37.526 1   43.546 ? 29  LYS   A C    1 ? 1 
ATOM   217  O O    . LYS   A 1 17  ? -5.896  0.524   -38.248 1   44.192 ? 29  LYS   A O    1 ? 1 
ATOM   218  C CB   . LYS   A 1 17  ? -8.428  0.354   -39.342 1   46.722 ? 29  LYS   A CB   1 ? 1 
ATOM   219  C CG   . LYS   A 1 17  ? -9.715  -0.116  -39.979 1   49.717 ? 29  LYS   A CG   1 ? 1 
ATOM   220  C CD   . LYS   A 1 17  ? -9.709  -1.556  -40.482 1   52.398 ? 29  LYS   A CD   1 ? 1 
ATOM   221  C CE   . LYS   A 1 17  ? -10.966 -1.986  -41.231 1   60.432 ? 29  LYS   A CE   1 ? 1 
ATOM   222  N NZ   . LYS   A 1 17  ? -11.767 -2.754  -40.251 1   52.507 ? 29  LYS   A NZ   1 ? 1 
ATOM   223  H H    . LYS   A 1 17  ? -9.698  -0.476  -36.645 1   40.317 ? 29  LYS   A H    1 c 1 
ATOM   224  H HA   . LYS   A 1 17  ? -8.264  -1.256  -38.101 1   41.554 ? 29  LYS   A HA   1 c 1 
ATOM   225  H HB2  . LYS   A 1 17  ? -8.467  1.329   -39.24  1   48.535 ? 29  LYS   A HB2  1 c 1 
ATOM   226  H HB3  . LYS   A 1 17  ? -7.687  0.144   -39.949 1   48.275 ? 29  LYS   A HB3  1 c 1 
ATOM   227  H HG2  . LYS   A 1 17  ? -10.437 -0.016  -39.322 1   48.412 ? 29  LYS   A HG2  1 c 1 
ATOM   228  H HG3  . LYS   A 1 17  ? -9.919  0.479   -40.732 1   52.141 ? 29  LYS   A HG3  1 c 1 
ATOM   229  H HD2  . LYS   A 1 17  ? -8.936  -1.672  -41.076 1   54.352 ? 29  LYS   A HD2  1 c 1 
ATOM   230  H HD3  . LYS   A 1 17  ? -9.575  -2.154  -39.715 1   50.707 ? 29  LYS   A HD3  1 c 1 
ATOM   231  H HE2  . LYS   A 1 17  ? -11.47  -1.211  -41.537 1   58.992 ? 29  LYS   A HE2  1 c 1 
ATOM   232  H HE3  . LYS   A 1 17  ? -10.741 -2.55   -41.992 1   58.469 ? 29  LYS   A HE3  1 c 1 
ATOM   233  H HZ1  . LYS   A 1 17  ? -11.891 -2.265  -39.498 1   52.991 ? 29  LYS   A HZ1  1 c 1 
ATOM   234  H HZ2  . LYS   A 1 17  ? -11.343 -3.527  -40.042 1   52.658 ? 29  LYS   A HZ2  1 c 1 
ATOM   235  H HZ3  . LYS   A 1 17  ? -12.575 -2.95   -40.61  1   54.294 ? 29  LYS   A HZ3  1 c 1 
ATOM   236  N N    . ASP   A 1 18  ? -6.402  -0.498  -36.337 1   38.861 ? 30  ASP   A N    1 ? 1 
ATOM   237  C CA   . ASP   A 1 18  ? -5.054  -0.408  -35.774 1   38.98  ? 30  ASP   A CA   1 ? 1 
ATOM   238  C C    . ASP   A 1 18  ? -4.315  -1.744  -35.751 1   36.871 ? 30  ASP   A C    1 ? 1 
ATOM   239  O O    . ASP   A 1 18  ? -3.317  -1.912  -35.008 1   35.937 ? 30  ASP   A O    1 ? 1 
ATOM   240  C CB   . ASP   A 1 18  ? -5.126  0.152   -34.363 1   37.189 ? 30  ASP   A CB   1 ? 1 
ATOM   241  C CG   . ASP   A 1 18  ? -5.971  -0.653  -33.391 1   33.211 ? 30  ASP   A CG   1 ? 1 
ATOM   242  O OD1  . ASP   A 1 18  ? -6.238  -1.804  -33.727 1   31.564 ? 30  ASP   A OD1  1 ? 1 
ATOM   243  O OD2  . ASP   A 1 18  ? -6.365  -0.08   -32.368 1   35.892 ? 30  ASP   A OD2  1 ? 1 
ATOM   244  H H    . ASP   A 1 18  ? -7.052  -0.905  -35.841 1   37.653 ? 30  ASP   A H    1 c 1 
ATOM   245  H HA   . ASP   A 1 18  ? -4.531  0.226   -36.315 1   40.981 ? 30  ASP   A HA   1 c 1 
ATOM   246  H HB2  . ASP   A 1 18  ? -4.22   0.224   -33.997 1   37.426 ? 30  ASP   A HB2  1 c 1 
ATOM   247  H HB3  . ASP   A 1 18  ? -5.501  1.056   -34.409 1   38.457 ? 30  ASP   A HB3  1 c 1 
ATOM   248  N N    . ARG   A 1 19  ? -4.834  -2.713  -36.508 1   37.562 ? 31  ARG   A N    1 ? 1 
ATOM   249  C CA   . ARG   A 1 19  ? -4.315  -4.069  -36.59  1   38.485 ? 31  ARG   A CA   1 ? 1 
ATOM   250  C C    . ARG   A 1 19  ? -4.192  -4.771  -35.234 1   35.455 ? 31  ARG   A C    1 ? 1 
ATOM   251  O O    . ARG   A 1 19  ? -3.393  -5.71   -35.088 1   35.609 ? 31  ARG   A O    1 ? 1 
ATOM   252  C CB   . ARG   A 1 19  ? -2.976  -4.103  -37.373 1   39.62  ? 31  ARG   A CB   1 ? 1 
ATOM   253  C CG   . ARG   A 1 19  ? -3.128  -3.724  -38.828 1   40.88  ? 31  ARG   A CG   1 ? 1 
ATOM   254  C CD   . ARG   A 1 19  ? -1.742  -3.63   -39.539 1   44.455 ? 31  ARG   A CD   1 ? 1 
ATOM   255  N NE   . ARG   A 1 19  ? -1      -4.887  -39.402 1   43.759 ? 31  ARG   A NE   1 ? 1 
ATOM   256  C CZ   . ARG   A 1 19  ? -1.209  -6.027  -40.016 1   44.443 ? 31  ARG   A CZ   1 ? 1 
ATOM   257  N NH1  . ARG   A 1 19  ? -2.151  -6.125  -40.906 1   46.431 ? 31  ARG   A NH1  1 ? 1 
ATOM   258  N NH2  . ARG   A 1 19  ? -0.429  -7.077  -39.818 1   46.983 ? 31  ARG   A NH2  1 ? 1 
ATOM   259  H H    . ARG   A 1 19  ? -5.564  -2.511  -37.018 1   38.242 ? 31  ARG   A H    1 c 1 
ATOM   260  H HA   . ARG   A 1 19  ? -4.958  -4.594  -37.128 1   37.643 ? 31  ARG   A HA   1 c 1 
ATOM   261  H HB2  . ARG   A 1 19  ? -2.344  -3.485  -36.952 1   40.157 ? 31  ARG   A HB2  1 c 1 
ATOM   262  H HB3  . ARG   A 1 19  ? -2.596  -5.005  -37.319 1   38.862 ? 31  ARG   A HB3  1 c 1 
ATOM   263  H HG2  . ARG   A 1 19  ? -3.68   -4.397  -39.284 1   41.084 ? 31  ARG   A HG2  1 c 1 
ATOM   264  H HG3  . ARG   A 1 19  ? -3.583  -2.856  -38.894 1   42.143 ? 31  ARG   A HG3  1 c 1 
ATOM   265  H HD2  . ARG   A 1 19  ? -1.874  -3.433  -40.488 1   46.44  ? 31  ARG   A HD2  1 c 1 
ATOM   266  H HD3  . ARG   A 1 19  ? -1.221  -2.901  -39.144 1   44.974 ? 31  ARG   A HD3  1 c 1 
ATOM   267  H HE   . ARG   A 1 19  ? -0.334  -4.878  -38.841 1   43.569 ? 31  ARG   A HE   1 c 1 
ATOM   268  H HH11 . ARG   A 1 19  ? -2.193  -5.542  -41.569 1   48.002 ? 31  ARG   A HH11 1 c 1 
ATOM   269  H HH12 . ARG   A 1 19  ? -2.744  -6.778  -40.845 1   44.869 ? 31  ARG   A HH12 1 c 1 
ATOM   270  H HH21 . ARG   A 1 19  ? 0.265   -7.017  -39.274 1   45.743 ? 31  ARG   A HH21 1 c 1 
ATOM   271  H HH22 . ARG   A 1 19  ? -0.604  -7.839  -40.232 1   46.255 ? 31  ARG   A HH22 1 c 1 
ATOM   272  N N    . GLY   A 1 20  ? -5.021  -4.39   -34.257 1   28.831 ? 32  GLY   A N    1 ? 1 
ATOM   273  C CA   . GLY   A 1 20  ? -4.896  -4.918  -32.894 1   28.669 ? 32  GLY   A CA   1 ? 1 
ATOM   274  C C    . GLY   A 1 20  ? -5.488  -6.319  -32.774 1   27.846 ? 32  GLY   A C    1 ? 1 
ATOM   275  O O    . GLY   A 1 20  ? -5.125  -7.082  -31.884 1   29.405 ? 32  GLY   A O    1 ? 1 
ATOM   276  H H    . GLY   A 1 20  ? -5.693  -3.798  -34.439 1   30.817 ? 32  GLY   A H    1 c 1 
ATOM   277  H HA2  . GLY   A 1 20  ? -3.948  -4.94   -32.64  1   28.837 ? 32  GLY   A HA2  1 c 1 
ATOM   278  H HA3  . GLY   A 1 20  ? -5.36   -4.312  -32.274 1   28.075 ? 32  GLY   A HA3  1 c 1 
ATOM   279  N N    . VAL   A 1 21  ? -6.368  -6.684  -33.719 1   28.656 ? 33  VAL   A N    1 ? 1 
ATOM   280  C CA   . VAL   A 1 21  ? -7.029  -7.966  -33.727 1   28.159 ? 33  VAL   A CA   1 ? 1 
ATOM   281  C C    . VAL   A 1 21  ? -7.098  -8.388  -35.2   1   28.407 ? 33  VAL   A C    1 ? 1 
ATOM   282  O O    . VAL   A 1 21  ? -7.785  -7.74   -35.967 1   28.923 ? 33  VAL   A O    1 ? 1 
ATOM   283  C CB   . VAL   A 1 21  ? -8.415  -8.03   -33.088 1   26.543 ? 33  VAL   A CB   1 ? 1 
ATOM   284  C CG1  . VAL   A 1 21  ? -8.953  -9.455  -33.135 1   25.177 ? 33  VAL   A CG1  1 ? 1 
ATOM   285  C CG2  . VAL   A 1 21  ? -8.483  -7.408  -31.674 1   26.384 ? 33  VAL   A CG2  1 ? 1 
ATOM   286  H H    . VAL   A 1 21  ? -6.568  -6.092  -34.385 1   29.725 ? 33  VAL   A H    1 c 1 
ATOM   287  H HA   . VAL   A 1 21  ? -6.455  -8.602  -33.258 1   27.128 ? 33  VAL   A HA   1 c 1 
ATOM   288  H HB   . VAL   A 1 21  ? -9.011  -7.488  -33.656 1   27.334 ? 33  VAL   A HB   1 c 1 
ATOM   289  H HG11 . VAL   A 1 21  ? -8.266  -10.072 -32.832 1   25.137 ? 33  VAL   A HG11 1 c 1 
ATOM   290  H HG12 . VAL   A 1 21  ? -9.207  -9.678  -34.046 1   26.317 ? 33  VAL   A HG12 1 c 1 
ATOM   291  H HG13 . VAL   A 1 21  ? -9.731  -9.528  -32.557 1   24.705 ? 33  VAL   A HG13 1 c 1 
ATOM   292  H HG21 . VAL   A 1 21  ? -9.385  -7.495  -31.323 1   25.625 ? 33  VAL   A HG21 1 c 1 
ATOM   293  H HG22 . VAL   A 1 21  ? -8.244  -6.467  -31.722 1   26.796 ? 33  VAL   A HG22 1 c 1 
ATOM   294  H HG23 . VAL   A 1 21  ? -7.862  -7.87   -31.086 1   25.583 ? 33  VAL   A HG23 1 c 1 
ATOM   295  N N    . LEU   A 1 22  ? -6.324  -9.451  -35.552 1   27.344 ? 34  LEU   A N    1 ? 1 
ATOM   296  C CA   . LEU   A 1 22  ? -6.242  -10.006 -36.893 1   28.739 ? 34  LEU   A CA   1 ? 1 
ATOM   297  C C    . LEU   A 1 22  ? -6.83   -11.396 -36.923 1   30.696 ? 34  LEU   A C    1 ? 1 
ATOM   298  O O    . LEU   A 1 22  ? -6.538  -12.185 -36.013 1   27.823 ? 34  LEU   A O    1 ? 1 
ATOM   299  C CB   . LEU   A 1 22  ? -4.779  -10.001 -37.282 1   33.176 ? 34  LEU   A CB   1 ? 1 
ATOM   300  C CG   . LEU   A 1 22  ? -4.051  -8.66   -37.345 1   33.829 ? 34  LEU   A CG   1 ? 1 
ATOM   301  C CD1  . LEU   A 1 22  ? -2.589  -8.872  -37.603 1   35.77  ? 34  LEU   A CD1  1 ? 1 
ATOM   302  C CD2  . LEU   A 1 22  ? -4.662  -7.713  -38.453 1   34.101 ? 34  LEU   A CD2  1 ? 1 
ATOM   303  H H    . LEU   A 1 22  ? -5.818  -9.844  -34.9   1   26.874 ? 34  LEU   A H    1 c 1 
ATOM   304  H HA   . LEU   A 1 22  ? -6.748  -9.423  -37.509 1   30.618 ? 34  LEU   A HA   1 c 1 
ATOM   305  H HB2  . LEU   A 1 22  ? -4.297  -10.58  -36.647 1   31.571 ? 34  LEU   A HB2  1 c 1 
ATOM   306  H HB3  . LEU   A 1 22  ? -4.701  -10.432 -38.164 1   33.88  ? 34  LEU   A HB3  1 c 1 
ATOM   307  H HG   . LEU   A 1 22  ? -4.147  -8.211  -36.466 1   32.332 ? 34  LEU   A HG   1 c 1 
ATOM   308  H HD11 . LEU   A 1 22  ? -2.204  -9.397  -36.881 1   34.572 ? 34  LEU   A HD11 1 c 1 
ATOM   309  H HD12 . LEU   A 1 22  ? -2.14   -8.012  -37.652 1   36.547 ? 34  LEU   A HD12 1 c 1 
ATOM   310  H HD13 . LEU   A 1 22  ? -2.473  -9.346  -38.444 1   37.121 ? 34  LEU   A HD13 1 c 1 
ATOM   311  H HD21 . LEU   A 1 22  ? -5.569  -7.472  -38.207 1   33.62  ? 34  LEU   A HD21 1 c 1 
ATOM   312  H HD22 . LEU   A 1 22  ? -4.67   -8.176  -39.308 1   35.947 ? 34  LEU   A HD22 1 c 1 
ATOM   313  H HD23 . LEU   A 1 22  ? -4.122  -6.908  -38.526 1   35.583 ? 34  LEU   A HD23 1 c 1 
ATOM   314  N N    . LYS   A 1 23  ? -7.608  -11.698 -37.96  1   29.275 ? 35  LYS   A N    1 ? 1 
ATOM   315  C CA   . LYS   A 1 23  ? -8.414  -12.898 -38.02  1   30.696 ? 35  LYS   A CA   1 ? 1 
ATOM   316  C C    . LYS   A 1 23  ? -8.284  -13.621 -39.336 1   35.458 ? 35  LYS   A C    1 ? 1 
ATOM   317  O O    . LYS   A 1 23  ? -8.36   -12.993 -40.402 1   36.467 ? 35  LYS   A O    1 ? 1 
ATOM   318  C CB   . LYS   A 1 23  ? -9.899  -12.555 -37.935 1   34.431 ? 35  LYS   A CB   1 ? 1 
ATOM   319  C CG   . LYS   A 1 23  ? -10.887 -13.743 -37.942 1   34.402 ? 35  LYS   A CG   1 ? 1 
ATOM   320  C CD   . LYS   A 1 23  ? -12.364 -13.461 -38.018 1   34.883 ? 35  LYS   A CD   1 ? 1 
ATOM   321  C CE   . LYS   A 1 23  ? -13.261 -14.671 -37.798 1   37.165 ? 35  LYS   A CE   1 ? 1 
ATOM   322  N NZ   . LYS   A 1 23  ? -14.653 -14.417 -38.198 1   35.679 ? 35  LYS   A NZ   1 ? 1 
ATOM   323  H H    . LYS   A 1 23  ? -7.634  -11.124 -38.671 1   31.462 ? 35  LYS   A H    1 c 1 
ATOM   324  H HA   . LYS   A 1 23  ? -8.159  -13.498 -37.279 1   30.521 ? 35  LYS   A HA   1 c 1 
ATOM   325  H HB2  . LYS   A 1 23  ? -10.047 -12.042 -37.112 1   31.843 ? 35  LYS   A HB2  1 c 1 
ATOM   326  H HB3  . LYS   A 1 23  ? -10.124 -11.968 -38.689 1   34.434 ? 35  LYS   A HB3  1 c 1 
ATOM   327  H HG2  . LYS   A 1 23  ? -10.654 -14.321 -38.699 1   36.102 ? 35  LYS   A HG2  1 c 1 
ATOM   328  H HG3  . LYS   A 1 23  ? -10.721 -14.268 -37.129 1   33.493 ? 35  LYS   A HG3  1 c 1 
ATOM   329  H HD2  . LYS   A 1 23  ? -12.585 -12.779 -37.347 1   33.963 ? 35  LYS   A HD2  1 c 1 
ATOM   330  H HD3  . LYS   A 1 23  ? -12.56  -13.078 -38.9   1   36.666 ? 35  LYS   A HD3  1 c 1 
ATOM   331  H HE2  . LYS   A 1 23  ? -12.918 -15.424 -38.313 1   37.372 ? 35  LYS   A HE2  1 c 1 
ATOM   332  H HE3  . LYS   A 1 23  ? -13.243 -14.918 -36.856 1   34.838 ? 35  LYS   A HE3  1 c 1 
ATOM   333  H HZ1  . LYS   A 1 23  ? -14.675 -14.019 -39.011 1   37.539 ? 35  LYS   A HZ1  1 c 1 
ATOM   334  H HZ2  . LYS   A 1 23  ? -15.05  -13.878 -37.59  1   35.265 ? 35  LYS   A HZ2  1 c 1 
ATOM   335  H HZ3  . LYS   A 1 23  ? -15.105 -15.201 -38.239 1   37.041 ? 35  LYS   A HZ3  1 c 1 
ATOM   336  N N    . ILE   A 1 24  ? -8.127  -14.957 -39.256 1   35.728 ? 36  ILE   A N    1 ? 1 
ATOM   337  C CA   . ILE   A 1 24  ? -8.276  -15.861 -40.409 1   39.317 ? 36  ILE   A CA   1 ? 1 
ATOM   338  C C    . ILE   A 1 24  ? -9.331  -16.912 -40.097 1   41.199 ? 36  ILE   A C    1 ? 1 
ATOM   339  O O    . ILE   A 1 24  ? -9.302  -17.569 -39.052 1   40.421 ? 36  ILE   A O    1 ? 1 
ATOM   340  C CB   . ILE   A 1 24  ? -6.988  -16.539 -40.855 1   41.745 ? 36  ILE   A CB   1 ? 1 
ATOM   341  C CG1  . ILE   A 1 24  ? -5.968  -15.494 -41.187 1   44.453 ? 36  ILE   A CG1  1 ? 1 
ATOM   342  C CG2  . ILE   A 1 24  ? -7.222  -17.551 -42.018 1   45.92  ? 36  ILE   A CG2  1 ? 1 
ATOM   343  C CD1  . ILE   A 1 24  ? -4.655  -16.052 -41.662 1   48.552 ? 36  ILE   A CD1  1 ? 1 
ATOM   344  H H    . ILE   A 1 24  ? -7.915  -15.324 -38.447 1   34.721 ? 36  ILE   A H    1 c 1 
ATOM   345  H HA   . ILE   A 1 24  ? -8.599  -15.329 -41.162 1   40.714 ? 36  ILE   A HA   1 c 1 
ATOM   346  H HB   . ILE   A 1 24  ? -6.647  -17.045 -40.09  1   41.157 ? 36  ILE   A HB   1 c 1 
ATOM   347  H HG12 . ILE   A 1 24  ? -6.332  -14.91  -41.883 1   45.375 ? 36  ILE   A HG12 1 c 1 
ATOM   348  H HG13 . ILE   A 1 24  ? -5.806  -14.947 -40.392 1   42.411 ? 36  ILE   A HG13 1 c 1 
ATOM   349  H HG21 . ILE   A 1 24  ? -6.388  -18.003 -42.231 1   47.004 ? 36  ILE   A HG21 1 c 1 
ATOM   350  H HG22 . ILE   A 1 24  ? -7.54   -17.076 -42.804 1   46.964 ? 36  ILE   A HG22 1 c 1 
ATOM   351  H HG23 . ILE   A 1 24  ? -7.883  -18.211 -41.752 1   45.419 ? 36  ILE   A HG23 1 c 1 
ATOM   352  H HD11 . ILE   A 1 24  ? -4.369  -16.769 -41.065 1   47.343 ? 36  ILE   A HD11 1 c 1 
ATOM   353  H HD12 . ILE   A 1 24  ? -3.984  -15.345 -41.664 1   48.117 ? 36  ILE   A HD12 1 c 1 
ATOM   354  H HD13 . ILE   A 1 24  ? -4.753  -16.403 -42.567 1   50.254 ? 36  ILE   A HD13 1 c 1 
ATOM   355  N N    . VAL   A 1 25  ? -10.305 -17.052 -41.008 1   40.04  ? 37  VAL   A N    1 ? 1 
ATOM   356  C CA   . VAL   A 1 25  ? -11.275 -18.118 -40.902 1   38.819 ? 37  VAL   A CA   1 ? 1 
ATOM   357  C C    . VAL   A 1 25  ? -10.58  -19.414 -41.355 1   42.384 ? 37  VAL   A C    1 ? 1 
ATOM   358  O O    . VAL   A 1 25  ? -10.187 -19.534 -42.529 1   42.922 ? 37  VAL   A O    1 ? 1 
ATOM   359  C CB   . VAL   A 1 25  ? -12.519 -17.851 -41.761 1   42.801 ? 37  VAL   A CB   1 ? 1 
ATOM   360  C CG1  . VAL   A 1 25  ? -13.445 -19.065 -41.787 1   44.364 ? 37  VAL   A CG1  1 ? 1 
ATOM   361  C CG2  . VAL   A 1 25  ? -13.289 -16.598 -41.307 1   40.507 ? 37  VAL   A CG2  1 ? 1 
ATOM   362  H H    . VAL   A 1 25  ? -10.363 -16.468 -41.709 1   41.272 ? 37  VAL   A H    1 c 1 
ATOM   363  H HA   . VAL   A 1 25  ? -11.548 -18.208 -39.968 1   38.061 ? 37  VAL   A HA   1 c 1 
ATOM   364  H HB   . VAL   A 1 25  ? -12.206 -17.693 -42.683 1   44.17  ? 37  VAL   A HB   1 c 1 
ATOM   365  H HG11 . VAL   A 1 25  ? -13.482 -19.465 -40.901 1   42.955 ? 37  VAL   A HG11 1 c 1 
ATOM   366  H HG12 . VAL   A 1 25  ? -13.109 -19.719 -42.422 1   46.454 ? 37  VAL   A HG12 1 c 1 
ATOM   367  H HG13 . VAL   A 1 25  ? -14.338 -18.788 -42.052 1   44.755 ? 37  VAL   A HG13 1 c 1 
ATOM   368  H HG21 . VAL   A 1 25  ? -14.067 -16.47  -41.875 1   41.816 ? 37  VAL   A HG21 1 c 1 
ATOM   369  H HG22 . VAL   A 1 25  ? -12.71  -15.82  -41.372 1   40.085 ? 37  VAL   A HG22 1 c 1 
ATOM   370  H HG23 . VAL   A 1 25  ? -13.577 -16.711 -40.385 1   38.903 ? 37  VAL   A HG23 1 c 1 
ATOM   371  N N    . LYS   A 1 26  ? -10.541 -20.429 -40.489 1   39.885 ? 38  LYS   A N    1 ? 1 
ATOM   372  C CA   . LYS   A 1 26  ? -9.87   -21.658 -40.868 1   41.99  ? 38  LYS   A CA   1 ? 1 
ATOM   373  C C    . LYS   A 1 26  ? -10.864 -22.723 -41.257 1   45.032 ? 38  LYS   A C    1 ? 1 
ATOM   374  O O    . LYS   A 1 26  ? -10.49  -23.601 -41.988 1   47.593 ? 38  LYS   A O    1 ? 1 
ATOM   375  C CB   . LYS   A 1 26  ? -8.996  -22.218 -39.761 1   42.542 ? 38  LYS   A CB   1 ? 1 
ATOM   376  C CG   . LYS   A 1 26  ? -7.854  -21.264 -39.404 1   41.512 ? 38  LYS   A CG   1 ? 1 
ATOM   377  C CD   . LYS   A 1 26  ? -6.9    -20.801 -40.514 1   44.034 ? 38  LYS   A CD   1 ? 1 
ATOM   378  C CE   . LYS   A 1 26  ? -5.917  -21.761 -40.923 1   45.032 ? 38  LYS   A CE   1 ? 1 
ATOM   379  N NZ   . LYS   A 1 26  ? -4.995  -21.469 -42.016 1   47.924 ? 38  LYS   A NZ   1 ? 1 
ATOM   380  H H    . LYS   A 1 26  ? -10.924 -20.356 -39.662 1   38.521 ? 38  LYS   A H    1 c 1 
ATOM   381  H HA   . LYS   A 1 26  ? -9.297  -21.474 -41.654 1   44.048 ? 38  LYS   A HA   1 c 1 
ATOM   382  H HB2  . LYS   A 1 26  ? -9.542  -22.375 -38.962 1   40.948 ? 38  LYS   A HB2  1 c 1 
ATOM   383  H HB3  . LYS   A 1 26  ? -8.616  -23.076 -40.046 1   44.314 ? 38  LYS   A HB3  1 c 1 
ATOM   384  H HG2  . LYS   A 1 26  ? -8.253  -20.465 -38.996 1   39.479 ? 38  LYS   A HG2  1 c 1 
ATOM   385  H HG3  . LYS   A 1 26  ? -7.317  -21.695 -38.704 1   40.934 ? 38  LYS   A HG3  1 c 1 
ATOM   386  H HD2  . LYS   A 1 26  ? -7.428  -20.539 -41.298 1   44.574 ? 38  LYS   A HD2  1 c 1 
ATOM   387  H HD3  . LYS   A 1 26  ? -6.436  -19.994 -40.201 1   42.002 ? 38  LYS   A HD3  1 c 1 
ATOM   388  H HE2  . LYS   A 1 26  ? -5.38   -21.972 -40.139 1   44.425 ? 38  LYS   A HE2  1 c 1 
ATOM   389  H HE3  . LYS   A 1 26  ? -6.394  -22.578 -41.156 1   47.018 ? 38  LYS   A HE3  1 c 1 
ATOM   390  H HZ1  . LYS   A 1 26  ? -4.523  -20.72  -41.826 1   46.659 ? 38  LYS   A HZ1  1 c 1 
ATOM   391  H HZ2  . LYS   A 1 26  ? -5.46   -21.342 -42.783 1   49.186 ? 38  LYS   A HZ2  1 c 1 
ATOM   392  H HZ3  . LYS   A 1 26  ? -4.422  -22.162 -42.126 1   49.452 ? 38  LYS   A HZ3  1 c 1 
ATOM   393  N N    . ARG   A 1 27  ? -12.065 -22.728 -40.699 1   43.788 ? 39  ARG   A N    1 ? 1 
ATOM   394  C CA   . ARG   A 1 27  ? -13.129 -23.587 -41.208 1   49.316 ? 39  ARG   A CA   1 ? 1 
ATOM   395  C C    . ARG   A 1 27  ? -14.436 -22.772 -41.162 1   49.08  ? 39  ARG   A C    1 ? 1 
ATOM   396  O O    . ARG   A 1 27  ? -14.775 -22.196 -40.133 1   47.04  ? 39  ARG   A O    1 ? 1 
ATOM   397  C CB   . ARG   A 1 27  ? -13.259 -24.83  -40.319 1   49.758 ? 39  ARG   A CB   1 ? 1 
ATOM   398  C CG   . ARG   A 1 27  ? -14.3   -25.842 -40.797 1   54.352 ? 39  ARG   A CG   1 ? 1 
ATOM   399  C CD   . ARG   A 1 27  ? -14.407 -26.958 -39.75  1   59.204 ? 39  ARG   A CD   1 ? 1 
ATOM   400  N NE   . ARG   A 1 27  ? -15.195 -26.593 -38.56  1   58.404 ? 39  ARG   A NE   1 ? 1 
ATOM   401  C CZ   . ARG   A 1 27  ? -15.32  -27.3   -37.439 1   59.219 ? 39  ARG   A CZ   1 ? 1 
ATOM   402  N NH1  . ARG   A 1 27  ? -14.858 -28.544 -37.355 1   59.458 ? 39  ARG   A NH1  1 ? 1 
ATOM   403  N NH2  . ARG   A 1 27  ? -15.92  -26.743 -36.403 1   61.593 ? 39  ARG   A NH2  1 ? 1 
ATOM   404  H H    . ARG   A 1 27  ? -12.233 -22.198 -39.974 1   42.151 ? 39  ARG   A H    1 c 1 
ATOM   405  H HA   . ARG   A 1 27  ? -12.927 -23.842 -42.144 1   51.257 ? 39  ARG   A HA   1 c 1 
ATOM   406  H HB2  . ARG   A 1 27  ? -12.386 -25.275 -40.274 1   50.736 ? 39  ARG   A HB2  1 c 1 
ATOM   407  H HB3  . ARG   A 1 27  ? -13.494 -24.543 -39.411 1   47.875 ? 39  ARG   A HB3  1 c 1 
ATOM   408  H HG2  . ARG   A 1 27  ? -15.173 -25.405 -40.9   1   54.583 ? 39  ARG   A HG2  1 c 1 
ATOM   409  H HG3  . ARG   A 1 27  ? -14.024 -26.225 -41.658 1   57.456 ? 39  ARG   A HG3  1 c 1 
ATOM   410  H HD2  . ARG   A 1 27  ? -14.814 -27.742 -40.172 1   61.307 ? 39  ARG   A HD2  1 c 1 
ATOM   411  H HD3  . ARG   A 1 27  ? -13.504 -27.212 -39.468 1   58.231 ? 39  ARG   A HD3  1 c 1 
ATOM   412  H HE   . ARG   A 1 27  ? -15.628 -25.837 -38.591 1   56.77  ? 39  ARG   A HE   1 c 1 
ATOM   413  H HH11 . ARG   A 1 27  ? -15.053 -29.129 -37.989 1   62.749 ? 39  ARG   A HH11 1 c 1 
ATOM   414  H HH12 . ARG   A 1 27  ? -14.359 -28.781 -36.664 1   59.544 ? 39  ARG   A HH12 1 c 1 
ATOM   415  H HH21 . ARG   A 1 27  ? -15.825 -25.877 -36.252 1   57.683 ? 39  ARG   A HH21 1 c 1 
ATOM   416  H HH22 . ARG   A 1 27  ? -16.415 -27.239 -35.864 1   60.727 ? 39  ARG   A HH22 1 c 1 
ATOM   417  N N    . VAL   A 1 28  ? -15.175 -22.744 -42.278 1   50.472 ? 40  VAL   A N    1 ? 1 
ATOM   418  C CA   . VAL   A 1 28  ? -16.38  -21.927 -42.391 1   52.189 ? 40  VAL   A CA   1 ? 1 
ATOM   419  C C    . VAL   A 1 28  ? -17.491 -22.554 -41.544 1   52.316 ? 40  VAL   A C    1 ? 1 
ATOM   420  O O    . VAL   A 1 28  ? -17.62  -23.786 -41.438 1   55.912 ? 40  VAL   A O    1 ? 1 
ATOM   421  C CB   . VAL   A 1 28  ? -16.809 -21.765 -43.869 1   57.907 ? 40  VAL   A CB   1 ? 1 
ATOM   422  C CG1  . VAL   A 1 28  ? -18.2   -21.128 -43.977 1   60.486 ? 40  VAL   A CG1  1 ? 1 
ATOM   423  C CG2  . VAL   A 1 28  ? -15.793 -20.931 -44.644 1   57.101 ? 40  VAL   A CG2  1 ? 1 
ATOM   424  H H    . VAL   A 1 28  ? -14.922 -23.254 -42.994 1   53.678 ? 40  VAL   A H    1 c 1 
ATOM   425  H HA   . VAL   A 1 28  ? -16.181 -21.041 -42.032 1   49.919 ? 40  VAL   A HA   1 c 1 
ATOM   426  H HB   . VAL   A 1 28  ? -16.845 -22.666 -44.268 1   60.121 ? 40  VAL   A HB   1 c 1 
ATOM   427  H HG11 . VAL   A 1 28  ? -18.302 -20.447 -43.291 1   57.04  ? 40  VAL   A HG11 1 c 1 
ATOM   428  H HG12 . VAL   A 1 28  ? -18.88  -21.812 -43.859 1   60.848 ? 40  VAL   A HG12 1 c 1 
ATOM   429  H HG13 . VAL   A 1 28  ? -18.304 -20.721 -44.853 1   61.2   ? 40  VAL   A HG13 1 c 1 
ATOM   430  H HG21 . VAL   A 1 28  ? -16.063 -20.872 -45.575 1   59.79  ? 40  VAL   A HG21 1 c 1 
ATOM   431  H HG22 . VAL   A 1 28  ? -14.918 -21.351 -44.588 1   57.582 ? 40  VAL   A HG22 1 c 1 
ATOM   432  H HG23 . VAL   A 1 28  ? -15.747 -20.038 -44.263 1   55.194 ? 40  VAL   A HG23 1 c 1 
ATOM   433  N N    . GLY   A 1 29  ? -18.31  -21.711 -40.935 1   47.605 ? 41  GLY   A N    1 ? 1 
ATOM   434  C CA   . GLY   A 1 29  ? -19.421 -22.191 -40.132 1   48.799 ? 41  GLY   A CA   1 ? 1 
ATOM   435  C C    . GLY   A 1 29  ? -20.718 -22.194 -40.939 1   54.236 ? 41  GLY   A C    1 ? 1 
ATOM   436  O O    . GLY   A 1 29  ? -20.688 -22.128 -42.162 1   57.537 ? 41  GLY   A O    1 ? 1 
ATOM   437  H H    . GLY   A 1 29  ? -18.178 -20.81  -41.014 1   47.201 ? 41  GLY   A H    1 c 1 
ATOM   438  H HA2  . GLY   A 1 29  ? -19.227 -23.103 -39.812 1   50.008 ? 41  GLY   A HA2  1 c 1 
ATOM   439  H HA3  . GLY   A 1 29  ? -19.524 -21.608 -39.344 1   46.899 ? 41  GLY   A HA3  1 c 1 
ATOM   440  N N    . ASN   A 1 30  ? -21.843 -22.313 -40.217 1   53.245 ? 42  ASN   A N    1 ? 1 
ATOM   441  C CA   . ASN   A 1 30  ? -23.142 -22.589 -40.785 1   60.165 ? 42  ASN   A CA   1 ? 1 
ATOM   442  C C    . ASN   A 1 30  ? -24.059 -21.403 -40.552 1   57.657 ? 42  ASN   A C    1 ? 1 
ATOM   443  O O    . ASN   A 1 30  ? -23.984 -20.789 -39.479 1   55.704 ? 42  ASN   A O    1 ? 1 
ATOM   444  C CB   . ASN   A 1 30  ? -23.816 -23.766 -40.1   1   66.584 ? 42  ASN   A CB   1 ? 1 
ATOM   445  C CG   . ASN   A 1 30  ? -22.79  -24.737 -39.583 1   73.457 ? 42  ASN   A CG   1 ? 1 
ATOM   446  O OD1  . ASN   A 1 30  ? -22.414 -24.713 -38.398 1   76.119 ? 42  ASN   A OD1  1 ? 1 
ATOM   447  N ND2  . ASN   A 1 30  ? -22.267 -25.54  -40.49  1   72.077 ? 42  ASN   A ND2  1 ? 1 
ATOM   448  H H    . ASN   A 1 30  ? -21.787 -22.202 -39.311 1   52.565 ? 42  ASN   A H    1 c 1 
ATOM   449  H HA   . ASN   A 1 30  ? -23.058 -22.782 -41.746 1   61.903 ? 42  ASN   A HA   1 c 1 
ATOM   450  H HB2  . ASN   A 1 30  ? -24.362 -23.445 -39.354 1   65.644 ? 42  ASN   A HB2  1 c 1 
ATOM   451  H HB3  . ASN   A 1 30  ? -24.403 -24.222 -40.736 1   69.616 ? 42  ASN   A HB3  1 c 1 
ATOM   452  H HD21 . ASN   A 1 30  ? -21.802 -26.251 -40.235 1   73.919 ? 42  ASN   A HD21 1 c 1 
ATOM   453  H HD22 . ASN   A 1 30  ? -22.379 -25.369 -41.354 1   74.597 ? 42  ASN   A HD22 1 c 1 
ATOM   454  N N    . GLY   A 1 31  ? -24.911 -21.133 -41.552 1   59.294 ? 43  GLY   A N    1 ? 1 
ATOM   455  C CA   . GLY   A 1 31  ? -25.93  -20.098 -41.452 1   61.365 ? 43  GLY   A CA   1 ? 1 
ATOM   456  C C    . GLY   A 1 31  ? -25.332 -18.685 -41.443 1   61.286 ? 43  GLY   A C    1 ? 1 
ATOM   457  O O    . GLY   A 1 31  ? -24.117 -18.541 -41.541 1   60     ? 43  GLY   A O    1 ? 1 
ATOM   458  H H    . GLY   A 1 31  ? -24.854 -21.614 -42.327 1   62.259 ? 43  GLY   A H    1 c 1 
ATOM   459  H HA2  . GLY   A 1 31  ? -26.55  -20.185 -42.213 1   63.723 ? 43  GLY   A HA2  1 c 1 
ATOM   460  H HA3  . GLY   A 1 31  ? -26.447 -20.238 -40.624 1   60.726 ? 43  GLY   A HA3  1 c 1 
ATOM   461  N N    . GLU   A 1 32  ? -26.198 -17.666 -41.348 1   58.465 ? 44  GLU   A N    1 ? 1 
ATOM   462  C CA   . GLU   A 1 32  ? -25.761 -16.273 -41.48  1   56.735 ? 44  GLU   A CA   1 ? 1 
ATOM   463  C C    . GLU   A 1 32  ? -25.481 -15.67  -40.09  1   51.264 ? 44  GLU   A C    1 ? 1 
ATOM   464  O O    . GLU   A 1 32  ? -24.595 -14.836 -39.968 1   49.531 ? 44  GLU   A O    1 ? 1 
ATOM   465  C CB   . GLU   A 1 32  ? -26.692 -15.523 -42.438 1   59.996 ? 44  GLU   A CB   1 ? 1 
ATOM   466  H H    . GLU   A 1 32  ? -27.083 -17.841 -41.198 1   60.186 ? 44  GLU   A H    1 c 1 
ATOM   467  H HA   . GLU   A 1 32  ? -24.89  -16.289 -41.952 1   56.337 ? 44  GLU   A HA   1 c 1 
ATOM   468  H HB2  . GLU   A 1 32  ? -26.215 -14.832 -42.976 0   30     ? 44  GLU   A HB2  1 c 1 
ATOM   469  H HB3  . GLU   A 1 32  ? -27.624 -15.654 -42.089 0   30     ? 44  GLU   A HB3  1 c 1 
ATOM   470  N N    . GLU   A 1 33  ? -26.15  -16.158 -39.033 1   48.679 ? 45  GLU   A N    1 ? 1 
ATOM   471  C CA   . GLU   A 1 33  ? -26.164 -15.488 -37.739 1   48.497 ? 45  GLU   A CA   1 ? 1 
ATOM   472  C C    . GLU   A 1 33  ? -24.751 -15.467 -37.13  1   44.414 ? 45  GLU   A C    1 ? 1 
ATOM   473  O O    . GLU   A 1 33  ? -23.995 -16.468 -37.122 1   42.871 ? 45  GLU   A O    1 ? 1 
ATOM   474  C CB   . GLU   A 1 33  ? -27.151 -16.122 -36.736 1   52.145 ? 45  GLU   A CB   1 ? 1 
ATOM   475  C CG   . GLU   A 1 33  ? -28.642 -16.015 -37.057 1   62.31  ? 45  GLU   A CG   1 ? 1 
ATOM   476  C CD   . GLU   A 1 33  ? -29.666 -15.319 -36.119 1   67.827 ? 45  GLU   A CD   1 ? 1 
ATOM   477  O OE1  . GLU   A 1 33  ? -29.405 -14.216 -35.589 1   57.539 ? 45  GLU   A OE1  1 ? 1 
ATOM   478  O OE2  . GLU   A 1 33  ? -30.838 -15.78  -36.025 1   77.49  ? 45  GLU   A OE2  1 ? 1 
ATOM   479  H H    . GLU   A 1 33  ? -26.615 -16.94  -39.122 1   51.299 ? 45  GLU   A H    1 c 1 
ATOM   480  H HA   . GLU   A 1 33  ? -26.449 -14.551 -37.888 1   48.189 ? 45  GLU   A HA   1 c 1 
ATOM   481  H HB2  . GLU   A 1 33  ? -26.933 -17.074 -36.651 1   53.455 ? 45  GLU   A HB2  1 c 1 
ATOM   482  H HB3  . GLU   A 1 33  ? -27.006 -15.71  -35.859 1   51.384 ? 45  GLU   A HB3  1 c 1 
ATOM   483  H HG2  . GLU   A 1 33  ? -28.713 -15.581 -37.929 1   62.275 ? 45  GLU   A HG2  1 c 1 
ATOM   484  H HG3  . GLU   A 1 33  ? -28.972 -16.926 -37.198 1   63.209 ? 45  GLU   A HG3  1 c 1 
ATOM   485  N N    . THR   A 1 34  ? -24.377 -14.32  -36.535 1   42.266 ? 46  THR   A N    1 ? 1 
ATOM   486  C CA   . THR   A 1 34  ? -23.21  -14.275 -35.644 1   38.17  ? 46  THR   A CA   1 ? 1 
ATOM   487  C C    . THR   A 1 34  ? -23.733 -13.765 -34.319 1   38.03  ? 46  THR   A C    1 ? 1 
ATOM   488  O O    . THR   A 1 34  ? -24.815 -13.203 -34.295 1   40.679 ? 46  THR   A O    1 ? 1 
ATOM   489  C CB   . THR   A 1 34  ? -22.107 -13.371 -36.18  1   36.418 ? 46  THR   A CB   1 ? 1 
ATOM   490  O OG1  . THR   A 1 34  ? -22.823 -12.143 -36.363 1   36.146 ? 46  THR   A OG1  1 ? 1 
ATOM   491  C CG2  . THR   A 1 34  ? -21.624 -13.806 -37.539 1   39.787 ? 46  THR   A CG2  1 ? 1 
ATOM   492  H H    . THR   A 1 34  ? -24.853 -13.554 -36.681 1   42.292 ? 46  THR   A H    1 c 1 
ATOM   493  H HA   . THR   A 1 34  ? -22.855 -15.182 -35.528 1   38.558 ? 46  THR   A HA   1 c 1 
ATOM   494  H HB   . THR   A 1 34  ? -21.371 -13.258 -35.535 1   35.182 ? 46  THR   A HB   1 c 1 
ATOM   495  H HG1  . THR   A 1 34  ? -23.482 -12.206 -36.934 0   30     ? 46  THR   A HG1  1 c 1 
ATOM   496  H HG21 . THR   A 1 34  ? -20.874 -13.249 -37.811 1   38.653 ? 46  THR   A HG21 1 c 1 
ATOM   497  H HG22 . THR   A 1 34  ? -22.344 -13.716 -38.186 1   40.793 ? 46  THR   A HG22 1 c 1 
ATOM   498  H HG23 . THR   A 1 34  ? -21.338 -14.735 -37.501 1   39.416 ? 46  THR   A HG23 1 c 1 
ATOM   499  N N    . PRO   A 1 35  ? -23.095 -14.045 -33.18  1   33.347 ? 47  PRO   A N    1 ? 1 
ATOM   500  C CA   . PRO   A 1 35  ? -23.714 -13.734 -31.896 1   34.529 ? 47  PRO   A CA   1 ? 1 
ATOM   501  C C    . PRO   A 1 35  ? -23.83  -12.239 -31.639 1   32.136 ? 47  PRO   A C    1 ? 1 
ATOM   502  O O    . PRO   A 1 35  ? -22.972 -11.462 -32.069 1   34.388 ? 47  PRO   A O    1 ? 1 
ATOM   503  C CB   . PRO   A 1 35  ? -22.756 -14.324 -30.851 1   30.794 ? 47  PRO   A CB   1 ? 1 
ATOM   504  C CG   . PRO   A 1 35  ? -21.587 -14.7   -31.626 1   30.734 ? 47  PRO   A CG   1 ? 1 
ATOM   505  C CD   . PRO   A 1 35  ? -21.883 -14.842 -33.04  1   32.522 ? 47  PRO   A CD   1 ? 1 
ATOM   506  H HA   . PRO   A 1 35  ? -24.595 -14.16  -31.836 1   34.849 ? 47  PRO   A HA   1 c 1 
ATOM   507  H HB2  . PRO   A 1 35  ? -22.53  -13.665 -30.17  1   30.634 ? 47  PRO   A HB2  1 c 1 
ATOM   508  H HB3  . PRO   A 1 35  ? -23.151 -15.105 -30.417 1   32.263 ? 47  PRO   A HB3  1 c 1 
ATOM   509  H HG2  . PRO   A 1 35  ? -20.89  -14.023 -31.511 1   29.499 ? 47  PRO   A HG2  1 c 1 
ATOM   510  H HG3  . PRO   A 1 35  ? -21.231 -15.546 -31.288 1   30.697 ? 47  PRO   A HG3  1 c 1 
ATOM   511  H HD2  . PRO   A 1 35  ? -21.163 -14.483 -33.594 1   31.882 ? 47  PRO   A HD2  1 c 1 
ATOM   512  H HD3  . PRO   A 1 35  ? -22.048 -15.774 -33.281 1   33.43  ? 47  PRO   A HD3  1 c 1 
ATOM   513  N N    . MET   A 1 36  ? -24.803 -11.905 -30.81  1   35.27  ? 48  MET   A N    1 ? 1 
ATOM   514  C CA   . MET   A 1 36  ? -25.101 -10.53  -30.446 1   34.351 ? 48  MET   A CA   1 ? 1 
ATOM   515  C C    . MET   A 1 36  ? -24.538 -10.324 -29.058 1   34.023 ? 48  MET   A C    1 ? 1 
ATOM   516  O O    . MET   A 1 36  ? -24.478 -11.272 -28.285 1   31.496 ? 48  MET   A O    1 ? 1 
ATOM   517  C CB   . MET   A 1 36  ? -26.618 -10.293 -30.338 1   38.043 ? 48  MET   A CB   1 ? 1 
ATOM   518  C CG   . MET   A 1 36  ? -27.442 -10.337 -31.637 1   42.952 ? 48  MET   A CG   1 ? 1 
ATOM   519  S SD   . MET   A 1 36  ? -26.881 -9.085  -32.811 1   42.28  ? 48  MET   A SD   1 ? 1 
ATOM   520  C CE   . MET   A 1 36  ? -27.589 -9.688  -34.342 1   48.896 ? 48  MET   A CE   1 ? 1 
ATOM   521  H H    . MET   A 1 36  ? -25.317 -12.567 -30.449 1   35.243 ? 48  MET   A H    1 c 1 
ATOM   522  H HA   . MET   A 1 36  ? -24.684 -9.904  -31.09  1   34.625 ? 48  MET   A HA   1 c 1 
ATOM   523  H HB2  . MET   A 1 36  ? -26.983 -10.965 -29.723 1   38.811 ? 48  MET   A HB2  1 c 1 
ATOM   524  H HB3  . MET   A 1 36  ? -26.756 -9.416  -29.92  1   38.426 ? 48  MET   A HB3  1 c 1 
ATOM   525  H HG2  . MET   A 1 36  ? -27.359 -11.22  -32.049 1   42.283 ? 48  MET   A HG2  1 c 1 
ATOM   526  H HG3  . MET   A 1 36  ? -28.386 -10.183 -31.433 1   43.511 ? 48  MET   A HG3  1 c 1 
ATOM   527  H HE1  . MET   A 1 36  ? -27.386 -9.063  -35.062 1   48.08  ? 48  MET   A HE1  1 c 1 
ATOM   528  H HE2  . MET   A 1 36  ? -27.21  -10.561 -34.552 1   47.354 ? 48  MET   A HE2  1 c 1 
ATOM   529  H HE3  . MET   A 1 36  ? -28.556 -9.767  -34.243 1   49.15  ? 48  MET   A HE3  1 c 1 
ATOM   530  N N    . ILE   A 1 37  ? -24.305 -9.067  -28.68  1   32.648 ? 49  ILE   A N    1 ? 1 
ATOM   531  C CA   . ILE   A 1 37  ? -23.984 -8.764  -27.298 1   29.695 ? 49  ILE   A CA   1 ? 1 
ATOM   532  C C    . ILE   A 1 37  ? -25.015 -9.322  -26.313 1   29.465 ? 49  ILE   A C    1 ? 1 
ATOM   533  O O    . ILE   A 1 37  ? -26.199 -9.122  -26.448 1   30.318 ? 49  ILE   A O    1 ? 1 
ATOM   534  C CB   . ILE   A 1 37  ? -23.724 -7.259  -27.089 1   32.536 ? 49  ILE   A CB   1 ? 1 
ATOM   535  C CG1  . ILE   A 1 37  ? -22.561 -6.788  -27.871 1   35.309 ? 49  ILE   A CG1  1 ? 1 
ATOM   536  C CG2  . ILE   A 1 37  ? -23.512 -7.001  -25.598 1   33.575 ? 49  ILE   A CG2  1 ? 1 
ATOM   537  C CD1  . ILE   A 1 37  ? -22.166 -5.357  -27.611 1   38.063 ? 49  ILE   A CD1  1 ? 1 
ATOM   538  H H    . ILE   A 1 37  ? -24.356 -8.388  -29.289 1   32.646 ? 49  ILE   A H    1 c 1 
ATOM   539  H HA   . ILE   A 1 37  ? -23.14  -9.218  -27.107 1   29.161 ? 49  ILE   A HA   1 c 1 
ATOM   540  H HB   . ILE   A 1 37  ? -24.515 -6.765  -27.382 1   34.091 ? 49  ILE   A HB   1 c 1 
ATOM   541  H HG12 . ILE   A 1 37  ? -21.796 -7.364  -27.669 1   33.625 ? 49  ILE   A HG12 1 c 1 
ATOM   542  H HG13 . ILE   A 1 37  ? -22.762 -6.887  -28.823 1   35.024 ? 49  ILE   A HG13 1 c 1 
ATOM   543  H HG21 . ILE   A 1 37  ? -23.264 -6.072  -25.457 1   33.572 ? 49  ILE   A HG21 1 c 1 
ATOM   544  H HG22 . ILE   A 1 37  ? -22.803 -7.577  -25.265 1   32.28  ? 49  ILE   A HG22 1 c 1 
ATOM   545  H HG23 . ILE   A 1 37  ? -24.333 -7.187  -25.113 1   34.446 ? 49  ILE   A HG23 1 c 1 
ATOM   546  H HD11 . ILE   A 1 37  ? -22.964 -4.822  -27.438 1   38.537 ? 49  ILE   A HD11 1 c 1 
ATOM   547  H HD12 . ILE   A 1 37  ? -21.703 -5.001  -28.393 1   37.114 ? 49  ILE   A HD12 1 c 1 
ATOM   548  H HD13 . ILE   A 1 37  ? -21.573 -5.313  -26.837 1   36.665 ? 49  ILE   A HD13 1 c 1 
ATOM   549  N N    . GLY   A 1 38  ? -24.535 -9.937  -25.204 1   28.668 ? 50  GLY   A N    1 ? 1 
ATOM   550  C CA   . GLY   A 1 38  ? -25.347 -10.569 -24.178 1   30.531 ? 50  GLY   A CA   1 ? 1 
ATOM   551  C C    . GLY   A 1 38  ? -25.558 -12.074 -24.403 1   33.565 ? 50  GLY   A C    1 ? 1 
ATOM   552  O O    . GLY   A 1 38  ? -26.093 -12.74  -23.476 1   32.749 ? 50  GLY   A O    1 ? 1 
ATOM   553  H H    . GLY   A 1 38  ? -23.628 -9.955  -25.092 1   27.631 ? 50  GLY   A H    1 c 1 
ATOM   554  H HA2  . GLY   A 1 38  ? -24.911 -10.432 -23.304 1   30.841 ? 50  GLY   A HA2  1 c 1 
ATOM   555  H HA3  . GLY   A 1 38  ? -26.224 -10.12  -24.145 1   32.359 ? 50  GLY   A HA3  1 c 1 
ATOM   556  N N    . ASP   A 1 39  ? -25.368 -12.558 -25.653 1   31.16  ? 51  ASP   A N    1 ? 1 
ATOM   557  C CA   . ASP   A 1 39  ? -25.651 -13.947 -25.987 1   33.307 ? 51  ASP   A CA   1 ? 1 
ATOM   558  C C    . ASP   A 1 39  ? -24.696 -14.836 -25.18  1   32.891 ? 51  ASP   A C    1 ? 1 
ATOM   559  O O    . ASP   A 1 39  ? -23.536 -14.47  -24.92  1   30.242 ? 51  ASP   A O    1 ? 1 
ATOM   560  C CB   . ASP   A 1 39  ? -25.384 -14.269 -27.457 1   31.684 ? 51  ASP   A CB   1 ? 1 
ATOM   561  C CG   . ASP   A 1 39  ? -26.479 -13.895 -28.465 1   35.254 ? 51  ASP   A CG   1 ? 1 
ATOM   562  O OD1  . ASP   A 1 39  ? -27.517 -13.39  -28.014 1   35.081 ? 51  ASP   A OD1  1 ? 1 
ATOM   563  O OD2  . ASP   A 1 39  ? -26.275 -14.102 -29.714 1   35.415 ? 51  ASP   A OD2  1 ? 1 
ATOM   564  H H    . ASP   A 1 39  ? -25.053 -12.006 -26.308 1   30.965 ? 51  ASP   A H    1 c 1 
ATOM   565  H HA   . ASP   A 1 39  ? -26.582 -14.154 -25.745 1   34.589 ? 51  ASP   A HA   1 c 1 
ATOM   566  H HB2  . ASP   A 1 39  ? -24.557 -13.818 -27.728 1   30.937 ? 51  ASP   A HB2  1 c 1 
ATOM   567  H HB3  . ASP   A 1 39  ? -25.231 -15.233 -27.539 1   32.833 ? 51  ASP   A HB3  1 c 1 
ATOM   568  N N    . LYS   A 1 40  ? -25.19  -16.036 -24.807 1   37.071 ? 52  LYS   A N    1 ? 1 
ATOM   569  C CA   . LYS   A 1 40  ? -24.354 -17.028 -24.15  1   36.686 ? 52  LYS   A CA   1 ? 1 
ATOM   570  C C    . LYS   A 1 40  ? -23.628 -17.783 -25.24  1   33.047 ? 52  LYS   A C    1 ? 1 
ATOM   571  O O    . LYS   A 1 40  ? -24.241 -18.333 -26.148 1   37.634 ? 52  LYS   A O    1 ? 1 
ATOM   572  C CB   . LYS   A 1 40  ? -25.208 -18.005 -23.328 1   42.093 ? 52  LYS   A CB   1 ? 1 
ATOM   573  C CG   . LYS   A 1 40  ? -24.415 -18.738 -22.287 1   46.167 ? 52  LYS   A CG   1 ? 1 
ATOM   574  C CD   . LYS   A 1 40  ? -25.34  -19.663 -21.517 1   60.138 ? 52  LYS   A CD   1 ? 1 
ATOM   575  C CE   . LYS   A 1 40  ? -24.57  -20.681 -20.746 1   64.746 ? 52  LYS   A CE   1 ? 1 
ATOM   576  N NZ   . LYS   A 1 40  ? -25.468 -21.675 -20.184 1   71.932 ? 52  LYS   A NZ   1 ? 1 
ATOM   577  H H    . LYS   A 1 40  ? -26.067 -16.235 -24.969 1   37.894 ? 52  LYS   A H    1 c 1 
ATOM   578  H HA   . LYS   A 1 40  ? -23.701 -16.567 -23.564 1   35.47  ? 52  LYS   A HA   1 c 1 
ATOM   579  H HB2  . LYS   A 1 40  ? -25.926 -17.506 -22.883 1   43.2   ? 52  LYS   A HB2  1 c 1 
ATOM   580  H HB3  . LYS   A 1 40  ? -25.622 -18.659 -23.93  1   43.379 ? 52  LYS   A HB3  1 c 1 
ATOM   581  H HG2  . LYS   A 1 40  ? -23.707 -19.26  -22.724 1   46.605 ? 52  LYS   A HG2  1 c 1 
ATOM   582  H HG3  . LYS   A 1 40  ? -24.003 -18.09  -21.674 1   46.371 ? 52  LYS   A HG3  1 c 1 
ATOM   583  H HD2  . LYS   A 1 40  ? -25.885 -19.132 -20.895 1   58.873 ? 52  LYS   A HD2  1 c 1 
ATOM   584  H HD3  . LYS   A 1 40  ? -25.942 -20.119 -22.144 1   59.094 ? 52  LYS   A HD3  1 c 1 
ATOM   585  H HE2  . LYS   A 1 40  ? -23.94  -21.127 -21.339 1   63.167 ? 52  LYS   A HE2  1 c 1 
ATOM   586  H HE3  . LYS   A 1 40  ? -24.072 -20.251 -20.028 1   63.846 ? 52  LYS   A HE3  1 c 1 
ATOM   587  H HZ1  . LYS   A 1 40  ? -25.905 -22.107 -20.85  1   71.509 ? 52  LYS   A HZ1  1 c 1 
ATOM   588  H HZ2  . LYS   A 1 40  ? -26.073 -21.272 -19.644 1   71.756 ? 52  LYS   A HZ2  1 c 1 
ATOM   589  H HZ3  . LYS   A 1 40  ? -24.994 -22.277 -19.701 1   71.521 ? 52  LYS   A HZ3  1 c 1 
ATOM   590  N N    . VAL   A 1 41  ? -22.296 -17.78  -25.157 1   32.999 ? 53  VAL   A N    1 ? 1 
ATOM   591  C CA   . VAL   A 1 41  ? -21.454 -18.356 -26.193 1   33.978 ? 53  VAL   A CA   1 ? 1 
ATOM   592  C C    . VAL   A 1 41  ? -20.651 -19.541 -25.624 1   34.023 ? 53  VAL   A C    1 ? 1 
ATOM   593  O O    . VAL   A 1 41  ? -20.061 -19.434 -24.557 1   31.678 ? 53  VAL   A O    1 ? 1 
ATOM   594  C CB   . VAL   A 1 41  ? -20.561 -17.236 -26.76  1   34.585 ? 53  VAL   A CB   1 ? 1 
ATOM   595  C CG1  . VAL   A 1 41  ? -19.6   -17.732 -27.814 1   34.757 ? 53  VAL   A CG1  1 ? 1 
ATOM   596  C CG2  . VAL   A 1 41  ? -21.424 -16.103 -27.362 1   33.914 ? 53  VAL   A CG2  1 ? 1 
ATOM   597  H H    . VAL   A 1 41  ? -21.895 -17.407 -24.426 1   32.304 ? 53  VAL   A H    1 c 1 
ATOM   598  H HA   . VAL   A 1 41  ? -22.027 -18.685 -26.912 1   35.004 ? 53  VAL   A HA   1 c 1 
ATOM   599  H HB   . VAL   A 1 41  ? -20.039 -16.866 -26.01  1   33.203 ? 53  VAL   A HB   1 c 1 
ATOM   600  H HG11 . VAL   A 1 41  ? -20.069 -18.322 -28.426 1   35.683 ? 53  VAL   A HG11 1 c 1 
ATOM   601  H HG12 . VAL   A 1 41  ? -18.873 -18.219 -27.39  1   34.272 ? 53  VAL   A HG12 1 c 1 
ATOM   602  H HG13 . VAL   A 1 41  ? -19.238 -16.978 -28.307 1   33.482 ? 53  VAL   A HG13 1 c 1 
ATOM   603  H HG21 . VAL   A 1 41  ? -20.85  -15.456 -27.805 1   32.95  ? 53  VAL   A HG21 1 c 1 
ATOM   604  H HG22 . VAL   A 1 41  ? -21.92  -15.66  -26.654 1   34.294 ? 53  VAL   A HG22 1 c 1 
ATOM   605  H HG23 . VAL   A 1 41  ? -22.047 -16.477 -28.007 1   35.149 ? 53  VAL   A HG23 1 c 1 
ATOM   606  N N    . TYR   A 1 42  ? -20.574 -20.586 -26.469 1   35.714 ? 54  TYR   A N    1 ? 1 
ATOM   607  C CA   . TYR   A 1 42  ? -19.912 -21.858 -26.168 1   38.87  ? 54  TYR   A CA   1 ? 1 
ATOM   608  C C    . TYR   A 1 42  ? -18.803 -22.046 -27.186 1   33.121 ? 54  TYR   A C    1 ? 1 
ATOM   609  O O    . TYR   A 1 42  ? -19.106 -22.118 -28.349 1   34.188 ? 54  TYR   A O    1 ? 1 
ATOM   610  C CB   . TYR   A 1 42  ? -20.851 -23.056 -26.272 1   41.872 ? 54  TYR   A CB   1 ? 1 
ATOM   611  C CG   . TYR   A 1 42  ? -22.028 -22.981 -25.318 1   47.255 ? 54  TYR   A CG   1 ? 1 
ATOM   612  C CD1  . TYR   A 1 42  ? -23.142 -22.217 -25.655 1   48.431 ? 54  TYR   A CD1  1 ? 1 
ATOM   613  C CD2  . TYR   A 1 42  ? -22.058 -23.701 -24.121 1   49.039 ? 54  TYR   A CD2  1 ? 1 
ATOM   614  C CE1  . TYR   A 1 42  ? -24.251 -22.168 -24.83  1   50.849 ? 54  TYR   A CE1  1 ? 1 
ATOM   615  C CE2  . TYR   A 1 42  ? -23.154 -23.638 -23.272 1   51.552 ? 54  TYR   A CE2  1 ? 1 
ATOM   616  C CZ   . TYR   A 1 42  ? -24.239 -22.852 -23.626 1   54.111 ? 54  TYR   A CZ   1 ? 1 
ATOM   617  O OH   . TYR   A 1 42  ? -25.363 -22.759 -22.865 1   57.885 ? 54  TYR   A OH   1 ? 1 
ATOM   618  H H    . TYR   A 1 42  ? -20.96  -20.496 -27.293 1   36.269 ? 54  TYR   A H    1 c 1 
ATOM   619  H HA   . TYR   A 1 42  ? -19.524 -21.822 -25.254 1   37.137 ? 54  TYR   A HA   1 c 1 
ATOM   620  H HB2  . TYR   A 1 42  ? -21.191 -23.112 -27.193 1   43.075 ? 54  TYR   A HB2  1 c 1 
ATOM   621  H HB3  . TYR   A 1 42  ? -20.339 -23.874 -26.086 1   43.619 ? 54  TYR   A HB3  1 c 1 
ATOM   622  H HD1  . TYR   A 1 42  ? -23.15  -21.742 -26.471 1   47.304 ? 54  TYR   A HD1  1 c 1 
ATOM   623  H HD2  . TYR   A 1 42  ? -21.312 -24.224 -23.876 1   49.296 ? 54  TYR   A HD2  1 c 1 
ATOM   624  H HE1  . TYR   A 1 42  ? -24.992 -21.634 -25.062 1   51.182 ? 54  TYR   A HE1  1 c 1 
ATOM   625  H HE2  . TYR   A 1 42  ? -23.158 -24.117 -22.461 1   53.452 ? 54  TYR   A HE2  1 c 1 
ATOM   626  H HH   . TYR   A 1 42  ? -25.977 -22.3   -23.213 0   30     ? 54  TYR   A HH   1 c 1 
ATOM   627  N N    . VAL   A 1 43  ? -17.562 -22.21  -26.725 1   33.144 ? 55  VAL   A N    1 ? 1 
ATOM   628  C CA   . VAL   A 1 43  ? -16.421 -22.412 -27.602 1   31.829 ? 55  VAL   A CA   1 ? 1 
ATOM   629  C C    . VAL   A 1 43  ? -15.457 -23.49  -27.092 1   33.21  ? 55  VAL   A C    1 ? 1 
ATOM   630  O O    . VAL   A 1 43  ? -15.462 -23.803 -25.916 1   33.853 ? 55  VAL   A O    1 ? 1 
ATOM   631  C CB   . VAL   A 1 43  ? -15.615 -21.119 -27.763 1   29.599 ? 55  VAL   A CB   1 ? 1 
ATOM   632  C CG1  . VAL   A 1 43  ? -16.471 -19.957 -28.246 1   29.911 ? 55  VAL   A CG1  1 ? 1 
ATOM   633  C CG2  . VAL   A 1 43  ? -14.829 -20.74  -26.526 1   28.987 ? 55  VAL   A CG2  1 ? 1 
ATOM   634  H H    . VAL   A 1 43  ? -17.419 -22.195 -25.822 1   32.723 ? 55  VAL   A H    1 c 1 
ATOM   635  H HA   . VAL   A 1 43  ? -16.751 -22.683 -28.478 1   32.99  ? 55  VAL   A HA   1 c 1 
ATOM   636  H HB   . VAL   A 1 43  ? -14.951 -21.291 -28.471 1   29.871 ? 55  VAL   A HB   1 c 1 
ATOM   637  H HG11 . VAL   A 1 43  ? -17.068 -19.675 -27.533 1   29.522 ? 55  VAL   A HG11 1 c 1 
ATOM   638  H HG12 . VAL   A 1 43  ? -16.996 -20.238 -29.014 1   30.506 ? 55  VAL   A HG12 1 c 1 
ATOM   639  H HG13 . VAL   A 1 43  ? -15.898 -19.215 -28.5   1   28.269 ? 55  VAL   A HG13 1 c 1 
ATOM   640  H HG21 . VAL   A 1 43  ? -14.562 -19.808 -26.586 1   27.45  ? 55  VAL   A HG21 1 c 1 
ATOM   641  H HG22 . VAL   A 1 43  ? -14.035 -21.297 -26.458 1   29.193 ? 55  VAL   A HG22 1 c 1 
ATOM   642  H HG23 . VAL   A 1 43  ? -15.381 -20.867 -25.737 1   29.401 ? 55  VAL   A HG23 1 c 1 
ATOM   643  N N    . HIS   A 1 44  ? -14.624 -23.986 -28.022 1   34.23  ? 56  HIS   A N    1 ? 1 
ATOM   644  C CA   . HIS   A 1 44  ? -13.377 -24.668 -27.72  1   37.041 ? 56  HIS   A CA   1 ? 1 
ATOM   645  C C    . HIS   A 1 44  ? -12.271 -23.786 -28.254 1   32.946 ? 56  HIS   A C    1 ? 1 
ATOM   646  O O    . HIS   A 1 44  ? -12.466 -23.104 -29.233 1   34.365 ? 56  HIS   A O    1 ? 1 
ATOM   647  C CB   . HIS   A 1 44  ? -13.273 -26.084 -28.317 1   41.311 ? 56  HIS   A CB   1 ? 1 
ATOM   648  C CG   . HIS   A 1 44  ? -13.85  -27.104 -27.419 1   44.954 ? 56  HIS   A CG   1 ? 1 
ATOM   649  N ND1  . HIS   A 1 44  ? -13.453 -27.216 -26.106 1   47.089 ? 56  HIS   A ND1  1 ? 1 
ATOM   650  C CD2  . HIS   A 1 44  ? -14.824 -27.994 -27.595 1   49.298 ? 56  HIS   A CD2  1 ? 1 
ATOM   651  C CE1  . HIS   A 1 44  ? -14.163 -28.19  -25.539 1   48.375 ? 56  HIS   A CE1  1 ? 1 
ATOM   652  N NE2  . HIS   A 1 44  ? -15.041 -28.621 -26.402 1   48.641 ? 56  HIS   A NE2  1 ? 1 
ATOM   653  H H    . HIS   A 1 44  ? -14.855 -23.89  -28.901 1   34.773 ? 56  HIS   A H    1 c 1 
ATOM   654  H HA   . HIS   A 1 44  ? -13.283 -24.721 -26.738 1   36.356 ? 56  HIS   A HA   1 c 1 
ATOM   655  H HB2  . HIS   A 1 44  ? -13.749 -26.103 -29.175 1   41.865 ? 56  HIS   A HB2  1 c 1 
ATOM   656  H HB3  . HIS   A 1 44  ? -12.327 -26.295 -28.478 1   41.384 ? 56  HIS   A HB3  1 c 1 
ATOM   657  H HD1  . HIS   A 1 44  ? -12.809 -26.751 -25.712 0   30     ? 56  HIS   A HD1  1 c 1 
ATOM   658  H HD2  . HIS   A 1 44  ? -15.324 -28.126 -28.377 1   49.192 ? 56  HIS   A HD2  1 c 1 
ATOM   659  H HE1  . HIS   A 1 44  ? -14.087 -28.47  -24.644 1   49.187 ? 56  HIS   A HE1  1 c 1 
ATOM   660  H HE2  . HIS   A 1 44  ? -15.576 -29.3   -26.207 0   30     ? 56  HIS   A HE2  1 c 1 
ATOM   661  N N    . TYR   A 1 45  ? -11.138 -23.773 -27.568 1   34.394 ? 57  TYR   A N    1 ? 1 
ATOM   662  C CA   . TYR   A 1 45  ? -10.031 -22.879 -27.918 1   29.867 ? 57  TYR   A CA   1 ? 1 
ATOM   663  C C    . TYR   A 1 45  ? -8.696  -23.433 -27.376 1   32.516 ? 57  TYR   A C    1 ? 1 
ATOM   664  O O    . TYR   A 1 45  ? -8.631  -24.252 -26.421 1   32.088 ? 57  TYR   A O    1 ? 1 
ATOM   665  C CB   . TYR   A 1 45  ? -10.181 -21.426 -27.445 1   30.97  ? 57  TYR   A CB   1 ? 1 
ATOM   666  C CG   . TYR   A 1 45  ? -9.913  -21.271 -25.945 1   27.099 ? 57  TYR   A CG   1 ? 1 
ATOM   667  C CD1  . TYR   A 1 45  ? -10.921 -21.499 -25.003 1   28.911 ? 57  TYR   A CD1  1 ? 1 
ATOM   668  C CD2  . TYR   A 1 45  ? -8.637  -21.068 -25.482 1   26.157 ? 57  TYR   A CD2  1 ? 1 
ATOM   669  C CE1  . TYR   A 1 45  ? -10.638 -21.504 -23.633 1   28.453 ? 57  TYR   A CE1  1 ? 1 
ATOM   670  C CE2  . TYR   A 1 45  ? -8.347  -21.038 -24.133 1   26.088 ? 57  TYR   A CE2  1 ? 1 
ATOM   671  C CZ   . TYR   A 1 45  ? -9.365  -21.22  -23.193 1   28.398 ? 57  TYR   A CZ   1 ? 1 
ATOM   672  O OH   . TYR   A 1 45  ? -9.034  -21.103 -21.855 1   28.137 ? 57  TYR   A OH   1 ? 1 
ATOM   673  H H    . TYR   A 1 45  ? -11.039 -24.338 -26.855 1   34.144 ? 57  TYR   A H    1 c 1 
ATOM   674  H HA   . TYR   A 1 45  ? -9.97   -22.866 -28.907 1   31.726 ? 57  TYR   A HA   1 c 1 
ATOM   675  H HB2  . TYR   A 1 45  ? -9.549  -20.863 -27.946 1   28.581 ? 57  TYR   A HB2  1 c 1 
ATOM   676  H HB3  . TYR   A 1 45  ? -11.094 -21.121 -27.644 1   29.096 ? 57  TYR   A HB3  1 c 1 
ATOM   677  H HD1  . TYR   A 1 45  ? -11.795 -21.699 -25.296 1   28.992 ? 57  TYR   A HD1  1 c 1 
ATOM   678  H HD2  . TYR   A 1 45  ? -7.938  -20.94  -26.103 1   26.137 ? 57  TYR   A HD2  1 c 1 
ATOM   679  H HE1  . TYR   A 1 45  ? -11.337 -21.595 -23.009 1   29.29  ? 57  TYR   A HE1  1 c 1 
ATOM   680  H HE2  . TYR   A 1 45  ? -7.473  -20.835 -23.846 1   26.347 ? 57  TYR   A HE2  1 c 1 
ATOM   681  H HH   . TYR   A 1 45  ? -9.772  -21.21  -21.385 0   30     ? 57  TYR   A HH   1 c 1 
ATOM   682  N N    . LYS   A 1 46  ? -7.638  -23.031 -28.1   1   32.293 ? 58  LYS   A N    1 ? 1 
ATOM   683  C CA   . LYS   A 1 46  ? -6.263  -23.191 -27.688 1   33.121 ? 58  LYS   A CA   1 ? 1 
ATOM   684  C C    . LYS   A 1 46  ? -5.646  -21.825 -27.861 1   34.196 ? 58  LYS   A C    1 ? 1 
ATOM   685  O O    . LYS   A 1 46  ? -5.976  -21.095 -28.78  1   34.448 ? 58  LYS   A O    1 ? 1 
ATOM   686  C CB   . LYS   A 1 46  ? -5.396  -24.126 -28.554 1   37.595 ? 58  LYS   A CB   1 ? 1 
ATOM   687  C CG   . LYS   A 1 46  ? -6.172  -25.309 -29.055 1   44.059 ? 58  LYS   A CG   1 ? 1 
ATOM   688  C CD   . LYS   A 1 46  ? -5.442  -26.592 -29.42  1   48.219 ? 58  LYS   A CD   1 ? 1 
ATOM   689  C CE   . LYS   A 1 46  ? -4.993  -26.663 -30.83  1   48.606 ? 58  LYS   A CE   1 ? 1 
ATOM   690  N NZ   . LYS   A 1 46  ? -4.424  -27.98  -31.074 1   47.657 ? 58  LYS   A NZ   1 ? 1 
ATOM   691  H H    . LYS   A 1 46  ? -7.796  -22.635 -28.908 1   32.024 ? 58  LYS   A H    1 c 1 
ATOM   692  H HA   . LYS   A 1 46  ? -6.234  -23.458 -26.736 1   34.121 ? 58  LYS   A HA   1 c 1 
ATOM   693  H HB2  . LYS   A 1 46  ? -5.045  -23.629 -29.324 1   37.589 ? 58  LYS   A HB2  1 c 1 
ATOM   694  H HB3  . LYS   A 1 46  ? -4.635  -24.446 -28.025 1   38.564 ? 58  LYS   A HB3  1 c 1 
ATOM   695  H HG2  . LYS   A 1 46  ? -6.841  -25.532 -28.371 1   43.186 ? 58  LYS   A HG2  1 c 1 
ATOM   696  H HG3  . LYS   A 1 46  ? -6.676  -25.015 -29.845 1   43.017 ? 58  LYS   A HG3  1 c 1 
ATOM   697  H HD2  . LYS   A 1 46  ? -4.66   -26.685 -28.834 1   47.811 ? 58  LYS   A HD2  1 c 1 
ATOM   698  H HD3  . LYS   A 1 46  ? -6.037  -27.352 -29.239 1   49.142 ? 58  LYS   A HD3  1 c 1 
ATOM   699  H HE2  . LYS   A 1 46  ? -5.746  -26.519 -31.431 1   47.64  ? 58  LYS   A HE2  1 c 1 
ATOM   700  H HE3  . LYS   A 1 46  ? -4.318  -25.981 -31.002 1   46.665 ? 58  LYS   A HE3  1 c 1 
ATOM   701  H HZ1  . LYS   A 1 46  ? -5.061  -28.616 -30.966 1   50.146 ? 58  LYS   A HZ1  1 c 1 
ATOM   702  H HZ2  . LYS   A 1 46  ? -3.746  -28.135 -30.494 1   49.132 ? 58  LYS   A HZ2  1 c 1 
ATOM   703  H HZ3  . LYS   A 1 46  ? -4.105  -28.022 -31.92  1   49.9   ? 58  LYS   A HZ3  1 c 1 
ATOM   704  N N    . GLY   A 1 47  ? -4.763  -21.478 -26.935 1   29.266 ? 59  GLY   A N    1 ? 1 
ATOM   705  C CA   . GLY   A 1 47  ? -4.222  -20.142 -26.83  1   29.876 ? 59  GLY   A CA   1 ? 1 
ATOM   706  C C    . GLY   A 1 47  ? -2.782  -20.251 -26.347 1   30.747 ? 59  GLY   A C    1 ? 1 
ATOM   707  O O    . GLY   A 1 47  ? -2.419  -21.21  -25.665 1   30.567 ? 59  GLY   A O    1 ? 1 
ATOM   708  H H    . GLY   A 1 47  ? -4.481  -22.109 -26.336 1   31.631 ? 59  GLY   A H    1 c 1 
ATOM   709  H HA2  . GLY   A 1 47  ? -4.253  -19.7   -27.708 1   29.105 ? 59  GLY   A HA2  1 c 1 
ATOM   710  H HA3  . GLY   A 1 47  ? -4.757  -19.615 -26.192 1   28.411 ? 59  GLY   A HA3  1 c 1 
ATOM   711  N N    . LYS   A 1 48  ? -1.968  -19.25  -26.71  1   25.71  ? 60  LYS   A N    1 ? 1 
ATOM   712  C CA   . LYS   A 1 48  ? -0.587  -19.201 -26.37  1   26.311 ? 60  LYS   A CA   1 ? 1 
ATOM   713  C C    . LYS   A 1 48  ? -0.124  -17.755 -26.474 1   26.984 ? 60  LYS   A C    1 ? 1 
ATOM   714  O O    . LYS   A 1 48  ? -0.717  -16.924 -27.19  1   27.018 ? 60  LYS   A O    1 ? 1 
ATOM   715  C CB   . LYS   A 1 48  ? 0.333   -20.143 -27.134 1   30.887 ? 60  LYS   A CB   1 ? 1 
ATOM   716  C CG   . LYS   A 1 48  ? 0.367   -19.842 -28.621 1   33.415 ? 60  LYS   A CG   1 ? 1 
ATOM   717  C CD   . LYS   A 1 48  ? 1.425   -20.646 -29.35  1   38.866 ? 60  LYS   A CD   1 ? 1 
ATOM   718  C CE   . LYS   A 1 48  ? 1.241   -20.623 -30.813 1   42.702 ? 60  LYS   A CE   1 ? 1 
ATOM   719  N NZ   . LYS   A 1 48  ? 2.505   -21.048 -31.441 1   49.097 ? 60  LYS   A NZ   1 ? 1 
ATOM   720  H H    . LYS   A 1 48  ? -2.316  -18.563 -27.202 1   25.886 ? 60  LYS   A H    1 c 1 
ATOM   721  H HA   . LYS   A 1 48  ? -0.516  -19.462 -25.418 1   27.33  ? 60  LYS   A HA   1 c 1 
ATOM   722  H HB2  . LYS   A 1 48  ? 1.243   -20.069 -26.775 1   31.318 ? 60  LYS   A HB2  1 c 1 
ATOM   723  H HB3  . LYS   A 1 48  ? 0.029   -21.067 -27.005 1   31.598 ? 60  LYS   A HB3  1 c 1 
ATOM   724  H HG2  . LYS   A 1 48  ? -0.514  -20.043 -29.005 1   33.287 ? 60  LYS   A HG2  1 c 1 
ATOM   725  H HG3  . LYS   A 1 48  ? 0.545   -18.885 -28.75  1   32.769 ? 60  LYS   A HG3  1 c 1 
ATOM   726  H HD2  . LYS   A 1 48  ? 2.311   -20.282 -29.13  1   39.149 ? 60  LYS   A HD2  1 c 1 
ATOM   727  H HD3  . LYS   A 1 48  ? 1.393   -21.577 -29.037 1   39.731 ? 60  LYS   A HD3  1 c 1 
ATOM   728  H HE2  . LYS   A 1 48  ? 0.526   -21.231 -31.073 1   43.163 ? 60  LYS   A HE2  1 c 1 
ATOM   729  H HE3  . LYS   A 1 48  ? 1.015   -19.724 -31.111 1   41.811 ? 60  LYS   A HE3  1 c 1 
ATOM   730  H HZ1  . LYS   A 1 48  ? 2.766   -21.846 -31.101 1   48.795 ? 60  LYS   A HZ1  1 c 1 
ATOM   731  H HZ2  . LYS   A 1 48  ? 3.15    -20.431 -31.285 1   47.59  ? 60  LYS   A HZ2  1 c 1 
ATOM   732  H HZ3  . LYS   A 1 48  ? 2.386   -21.132 -32.336 1   48.735 ? 60  LYS   A HZ3  1 c 1 
ATOM   733  N N    . LEU   A 1 49  ? 0.935   -17.473 -25.731 1   26.442 ? 61  LEU   A N    1 ? 1 
ATOM   734  C CA   . LEU   A 1 49  ? 1.705   -16.262 -25.956 1   30.793 ? 61  LEU   A CA   1 ? 1 
ATOM   735  C C    . LEU   A 1 49  ? 2.344   -16.466 -27.317 1   35.74  ? 61  LEU   A C    1 ? 1 
ATOM   736  O O    . LEU   A 1 49  ? 2.683   -17.588 -27.703 1   36.135 ? 61  LEU   A O    1 ? 1 
ATOM   737  C CB   . LEU   A 1 49  ? 2.762   -16.111 -24.863 1   33.063 ? 61  LEU   A CB   1 ? 1 
ATOM   738  C CG   . LEU   A 1 49  ? 2.159   -16.008 -23.466 1   33.936 ? 61  LEU   A CG   1 ? 1 
ATOM   739  C CD1  . LEU   A 1 49  ? 3.248   -15.796 -22.383 1   41.34  ? 61  LEU   A CD1  1 ? 1 
ATOM   740  C CD2  . LEU   A 1 49  ? 1.056   -14.93  -23.5   1   33.938 ? 61  LEU   A CD2  1 ? 1 
ATOM   741  H H    . LEU   A 1 49  ? 1.198   -18.053 -25.075 1   28.309 ? 61  LEU   A H    1 c 1 
ATOM   742  H HA   . LEU   A 1 49  ? 1.101   -15.478 -25.974 1   29.749 ? 61  LEU   A HA   1 c 1 
ATOM   743  H HB2  . LEU   A 1 49  ? 3.359   -16.894 -24.894 1   34.321 ? 61  LEU   A HB2  1 c 1 
ATOM   744  H HB3  . LEU   A 1 49  ? 3.286   -15.297 -25.044 1   33.27  ? 61  LEU   A HB3  1 c 1 
ATOM   745  H HG   . LEU   A 1 49  ? 1.716   -16.872 -23.264 1   34.975 ? 61  LEU   A HG   1 c 1 
ATOM   746  H HD11 . LEU   A 1 49  ? 3.888   -16.526 -22.418 1   40.491 ? 61  LEU   A HD11 1 c 1 
ATOM   747  H HD12 . LEU   A 1 49  ? 2.832   -15.774 -21.504 1   39.185 ? 61  LEU   A HD12 1 c 1 
ATOM   748  H HD13 . LEU   A 1 49  ? 3.707   -14.955 -22.544 1   39.462 ? 61  LEU   A HD13 1 c 1 
ATOM   749  H HD21 . LEU   A 1 49  ? 0.229   -15.319 -23.83  1   32.808 ? 61  LEU   A HD21 1 c 1 
ATOM   750  H HD22 . LEU   A 1 49  ? 1.328   -14.202 -24.083 1   33.316 ? 61  LEU   A HD22 1 c 1 
ATOM   751  H HD23 . LEU   A 1 49  ? 0.913   -14.586 -22.602 1   33.328 ? 61  LEU   A HD23 1 c 1 
ATOM   752  N N    . SER   A 1 50  ? 2.522   -15.391 -28.058 1   37.97  ? 62  SER   A N    1 ? 1 
ATOM   753  C CA   . SER   A 1 50  ? 3.233   -15.516 -29.326 1   47.992 ? 62  SER   A CA   1 ? 1 
ATOM   754  C C    . SER   A 1 50  ? 4.686   -15.98  -29.067 1   47.049 ? 62  SER   A C    1 ? 1 
ATOM   755  O O    . SER   A 1 50  ? 5.271   -16.631 -29.905 1   53.268 ? 62  SER   A O    1 ? 1 
ATOM   756  C CB   . SER   A 1 50  ? 3.159   -14.198 -30.076 1   51.704 ? 62  SER   A CB   1 ? 1 
ATOM   757  O OG   . SER   A 1 50  ? 3.894   -13.239 -29.327 1   51.59  ? 62  SER   A OG   1 ? 1 
ATOM   758  H H    . SER   A 1 50  ? 2.208   -14.575 -27.789 1   38.153 ? 62  SER   A H    1 c 1 
ATOM   759  H HA   . SER   A 1 50  ? 2.778   -16.209 -29.869 1   46.406 ? 62  SER   A HA   1 c 1 
ATOM   760  H HB2  . SER   A 1 50  ? 3.548   -14.299 -30.966 1   52.097 ? 62  SER   A HB2  1 c 1 
ATOM   761  H HB3  . SER   A 1 50  ? 2.228   -13.915 -30.162 1   49.663 ? 62  SER   A HB3  1 c 1 
ATOM   762  H HG   . SER   A 1 50  ? 3.951   -12.409 -29.6   0   30     ? 62  SER   A HG   1 c 1 
ATOM   763  N N    . ASN   A 1 51  ? 5.259   -15.674 -27.885 1   55.751 ? 63  ASN   A N    1 ? 1 
ATOM   764  C CA   . ASN   A 1 51  ? 6.539   -16.221 -27.395 1   59.82  ? 63  ASN   A CA   1 ? 1 
ATOM   765  C C    . ASN   A 1 51  ? 6.521   -17.743 -27.168 1   66.203 ? 63  ASN   A C    1 ? 1 
ATOM   766  O O    . ASN   A 1 51  ? 7.516   -18.278 -26.693 1   73.721 ? 63  ASN   A O    1 ? 1 
ATOM   767  C CB   . ASN   A 1 51  ? 6.937   -15.576 -26.066 1   53.033 ? 63  ASN   A CB   1 ? 1 
ATOM   768  H H    . ASN   A 1 51  ? 4.827   -15.069 -27.352 1   52.494 ? 63  ASN   A H    1 c 1 
ATOM   769  H HA   . ASN   A 1 51  ? 7.239   -16.008 -28.053 1   60.356 ? 63  ASN   A HA   1 c 1 
ATOM   770  H HB2  . ASN   A 1 51  ? 8.015   -15.492 -26.166 0   30     ? 63  ASN   A HB2  1 c 1 
ATOM   771  H HB3  . ASN   A 1 51  ? 6.262   -15.21  -25.654 0   30     ? 63  ASN   A HB3  1 c 1 
ATOM   772  N N    . GLY   A 1 52  ? 5.389   -18.435 -27.44  1   71.595 ? 64  GLY   A N    1 ? 1 
ATOM   773  C CA   . GLY   A 1 52  ? 5.095   -19.82  -27.055 1   67.003 ? 64  GLY   A CA   1 ? 1 
ATOM   774  C C    . GLY   A 1 52  ? 5.51    -20.22  -25.628 1   69.24  ? 64  GLY   A C    1 ? 1 
ATOM   775  O O    . GLY   A 1 52  ? 5.831   -21.38  -25.364 1   70.144 ? 64  GLY   A O    1 ? 1 
ATOM   776  H H    . GLY   A 1 52  ? 4.743   -17.998 -27.913 1   67.239 ? 64  GLY   A H    1 c 1 
ATOM   777  H HA2  . GLY   A 1 52  ? 4.125   -19.968 -27.155 1   67.618 ? 64  GLY   A HA2  1 c 1 
ATOM   778  H HA3  . GLY   A 1 52  ? 5.548   -20.42  -27.694 1   70.211 ? 64  GLY   A HA3  1 c 1 
ATOM   779  N N    . LYS   A 1 53  ? 5.52    -19.291 -24.666 1   62.627 ? 65  LYS   A N    1 ? 1 
ATOM   780  C CA   . LYS   A 1 53  ? 6.105   -19.626 -23.376 1   55.767 ? 65  LYS   A CA   1 ? 1 
ATOM   781  C C    . LYS   A 1 53  ? 5.024   -20.198 -22.406 1   53.362 ? 65  LYS   A C    1 ? 1 
ATOM   782  O O    . LYS   A 1 53  ? 5.342   -20.867 -21.414 1   50.732 ? 65  LYS   A O    1 ? 1 
ATOM   783  C CB   . LYS   A 1 53  ? 7.038   -18.469 -22.981 1   56.193 ? 65  LYS   A CB   1 ? 1 
ATOM   784  H H    . LYS   A 1 53  ? 5.154   -18.465 -24.802 1   60.269 ? 65  LYS   A H    1 c 1 
ATOM   785  H HA   . LYS   A 1 53  ? 6.736   -20.373 -23.535 1   58.67  ? 65  LYS   A HA   1 c 1 
ATOM   786  H HB2  . LYS   A 1 53  ? 7.795   -18.609 -22.912 0   30     ? 65  LYS   A HB2  1 c 1 
ATOM   787  H HB3  . LYS   A 1 53  ? 6.184   -17.758 -22.546 0   30     ? 65  LYS   A HB3  1 c 1 
ATOM   788  N N    . LYS   A 1 54  ? 3.728   -20.07  -22.73  1   40.858 ? 66  LYS   A N    1 ? 1 
ATOM   789  C CA   . LYS   A 1 54  ? 2.56    -20.427 -21.931 1   36.375 ? 66  LYS   A CA   1 ? 1 
ATOM   790  C C    . LYS   A 1 54  ? 1.494   -20.771 -22.977 1   38.222 ? 66  LYS   A C    1 ? 1 
ATOM   791  O O    . LYS   A 1 54  ? 1.37    -19.994 -23.958 1   37.4   ? 66  LYS   A O    1 ? 1 
ATOM   792  C CB   . LYS   A 1 54  ? 2.031   -19.259 -21.086 1   31.255 ? 66  LYS   A CB   1 ? 1 
ATOM   793  H H    . LYS   A 1 54  ? 3.559   -19.709 -23.552 1   41.738 ? 66  LYS   A H    1 c 1 
ATOM   794  H HA   . LYS   A 1 54  ? 2.769   -21.219 -21.374 1   38.237 ? 66  LYS   A HA   1 c 1 
ATOM   795  H HB2  . LYS   A 1 54  ? 2.771   -18.953 -20.531 0   30     ? 66  LYS   A HB2  1 c 1 
ATOM   796  H HB3  . LYS   A 1 54  ? 1.039   -19.441 -20.995 0   30     ? 66  LYS   A HB3  1 c 1 
ATOM   797  N N    A PHE   A 1 55  ? 0.819   -21.943 -22.829 0.5 38.164 ? 67  PHE   A N    1 ? 1 
ATOM   798  N N    B PHE   A 1 55  ? 0.749   -21.838 -22.673 0.5 37.598 ? 67  PHE   A N    1 ? 1 
ATOM   799  C CA   A PHE   A 1 55  ? -0.164  -22.524 -23.747 0.5 37.241 ? 67  PHE   A CA   1 ? 1 
ATOM   800  C CA   B PHE   A 1 55  ? -0.228  -22.488 -23.51  0.5 35.864 ? 67  PHE   A CA   1 ? 1 
ATOM   801  C C    A PHE   A 1 55  ? -1.363  -23.041 -22.945 0.5 37.129 ? 67  PHE   A C    1 ? 1 
ATOM   802  C C    B PHE   A 1 55  ? -1.482  -22.704 -22.681 0.5 35.781 ? 67  PHE   A C    1 ? 1 
ATOM   803  O O    A PHE   A 1 55  ? -1.116  -23.726 -21.945 0.5 35.922 ? 67  PHE   A O    1 ? 1 
ATOM   804  O O    B PHE   A 1 55  ? -1.438  -22.876 -21.444 0.5 31.547 ? 67  PHE   A O    1 ? 1 
ATOM   805  C CB   A PHE   A 1 55  ? 0.462   -23.692 -24.527 0.5 40.367 ? 67  PHE   A CB   1 ? 1 
ATOM   806  C CB   B PHE   A 1 55  ? 0.324   -23.846 -23.926 0.5 38.055 ? 67  PHE   A CB   1 ? 1 
ATOM   807  C CG   A PHE   A 1 55  ? -0.373  -24.383 -25.61  0.5 41.022 ? 67  PHE   A CG   1 ? 1 
ATOM   808  C CG   B PHE   A 1 55  ? 1.648   -23.696 -24.64  0.5 39.464 ? 67  PHE   A CG   1 ? 1 
ATOM   809  C CD1  A PHE   A 1 55  ? -1.261  -25.416 -25.293 0.5 42.43  ? 67  PHE   A CD1  1 ? 1 
ATOM   810  C CD1  B PHE   A 1 55  ? 1.667   -23.445 -26.003 0.5 39.325 ? 67  PHE   A CD1  1 ? 1 
ATOM   811  C CD2  A PHE   A 1 55  ? -0.196  -24.076 -26.951 0.5 43.487 ? 67  PHE   A CD2  1 ? 1 
ATOM   812  C CD2  B PHE   A 1 55  ? 2.851   -23.705 -23.933 0.5 41.615 ? 67  PHE   A CD2  1 ? 1 
ATOM   813  C CE1  A PHE   A 1 55  ? -2.011  -26.046 -26.271 0.5 42.708 ? 67  PHE   A CE1  1 ? 1 
ATOM   814  C CE1  B PHE   A 1 55  ? 2.871   -23.233 -26.641 0.5 40.387 ? 67  PHE   A CE1  1 ? 1 
ATOM   815  C CE2  A PHE   A 1 55  ? -0.922  -24.745 -27.939 0.5 44.758 ? 67  PHE   A CE2  1 ? 1 
ATOM   816  C CE2  B PHE   A 1 55  ? 4.046   -23.517 -24.586 0.5 41.908 ? 67  PHE   A CE2  1 ? 1 
ATOM   817  C CZ   A PHE   A 1 55  ? -1.821  -25.731 -27.587 0.5 44.148 ? 67  PHE   A CZ   1 ? 1 
ATOM   818  C CZ   B PHE   A 1 55  ? 4.049   -23.298 -25.946 0.5 41.788 ? 67  PHE   A CZ   1 ? 1 
ATOM   819  H H    A PHE   A 1 55  ? 0.999   -22.419 -22.069 0.5 39.221 ? 67  PHE   A H    1 c 1 
ATOM   820  H H    B PHE   A 1 55  ? 0.873   -22.194 -21.84  0.5 38.338 ? 67  PHE   A H    1 c 1 
ATOM   821  H HA   A PHE   A 1 55  ? -0.467  -21.828 -24.385 0.5 36.229 ? 67  PHE   A HA   1 c 1 
ATOM   822  H HA   B PHE   A 1 55  ? -0.426  -21.932 -24.308 0.5 35.162 ? 67  PHE   A HA   1 c 1 
ATOM   823  H HB2  A PHE   A 1 55  ? 1.289   -23.363 -24.944 0.5 40.329 ? 67  PHE   A HB2  1 c 1 
ATOM   824  H HB2  B PHE   A 1 55  ? 0.446   -24.402 -23.125 0.5 39.416 ? 67  PHE   A HB2  1 c 1 
ATOM   825  H HB3  A PHE   A 1 55  ? 0.735   -24.374 -23.873 0.5 41.571 ? 67  PHE   A HB3  1 c 1 
ATOM   826  H HB3  B PHE   A 1 55  ? -0.322  -24.285 -24.524 0.5 38.535 ? 67  PHE   A HB3  1 c 1 
ATOM   827  H HD1  A PHE   A 1 55  ? -1.399  -25.642 -24.387 0.5 42.614 ? 67  PHE   A HD1  1 c 1 
ATOM   828  H HD1  B PHE   A 1 55  ? 0.858   -23.397 -26.487 0.5 38.663 ? 67  PHE   A HD1  1 c 1 
ATOM   829  H HD2  A PHE   A 1 55  ? 0.423   -23.407 -27.197 0.5 42.263 ? 67  PHE   A HD2  1 c 1 
ATOM   830  H HD2  B PHE   A 1 55  ? 2.845   -23.869 -23.004 0.5 41.547 ? 67  PHE   A HD2  1 c 1 
ATOM   831  H HE1  A PHE   A 1 55  ? -2.616  -26.73  -26.032 0.5 44.327 ? 67  PHE   A HE1  1 c 1 
ATOM   832  H HE1  B PHE   A 1 55  ? 2.883   -23.079 -27.567 0.5 40.599 ? 67  PHE   A HE1  1 c 1 
ATOM   833  H HE2  A PHE   A 1 55  ? -0.809  -24.51  -28.846 0.5 44.361 ? 67  PHE   A HE2  1 c 1 
ATOM   834  H HE2  B PHE   A 1 55  ? 4.859   -23.557 -24.108 0.5 43.133 ? 67  PHE   A HE2  1 c 1 
ATOM   835  H HZ   A PHE   A 1 55  ? -2.325  -26.169 -28.253 0.5 45.042 ? 67  PHE   A HZ   1 c 1 
ATOM   836  H HZ   B PHE   A 1 55  ? 4.866   -23.169 -26.4   0.5 42.816 ? 67  PHE   A HZ   1 c 1 
ATOM   837  N N    . ASP   A 1 56  ? -2.609  -22.701 -23.366 1   33.256 ? 68  ASP   A N    1 ? 1 
ATOM   838  C CA   . ASP   A 1 56  ? -3.833  -22.944 -22.622 1   37.286 ? 68  ASP   A CA   1 ? 1 
ATOM   839  C C    . ASP   A 1 56  ? -4.876  -23.46  -23.576 1   41.76  ? 68  ASP   A C    1 ? 1 
ATOM   840  O O    . ASP   A 1 56  ? -5.015  -22.954 -24.68  1   38.265 ? 68  ASP   A O    1 ? 1 
ATOM   841  C CB   . ASP   A 1 56  ? -4.354  -21.69  -21.94  1   35.895 ? 68  ASP   A CB   1 ? 1 
ATOM   842  C CG   . ASP   A 1 56  ? -5.722  -21.798 -21.25  1   35.286 ? 68  ASP   A CG   1 ? 1 
ATOM   843  O OD1  . ASP   A 1 56  ? -5.991  -22.822 -20.611 1   36.842 ? 68  ASP   A OD1  1 ? 1 
ATOM   844  O OD2  . ASP   A 1 56  ? -6.551  -20.901 -21.406 1   33.245 ? 68  ASP   A OD2  1 ? 1 
ATOM   845  H H    A ASP   A 1 56  ? -2.682  -22.286 -24.178 0.5 33.947 ? 68  ASP   A H    1 c 1 
ATOM   846  H H    B ASP   A 1 56  ? -2.631  -22.55  -24.268 0.5 34.166 ? 68  ASP   A H    1 c 1 
ATOM   847  H HA   . ASP   A 1 56  ? -3.66   -23.63  -21.938 1   38.644 ? 68  ASP   A HA   1 c 1 
ATOM   848  H HB2  . ASP   A 1 56  ? -3.7    -21.417 -21.264 1   35.649 ? 68  ASP   A HB2  1 c 1 
ATOM   849  H HB3  . ASP   A 1 56  ? -4.408  -20.975 -22.608 1   34.282 ? 68  ASP   A HB3  1 c 1 
ATOM   850  N N    . SER   A 1 57  ? -5.681  -24.374 -23.068 1   43.565 ? 69  SER   A N    1 ? 1 
ATOM   851  C CA   . SER   A 1 57  ? -6.715  -24.991 -23.865 1   49.141 ? 69  SER   A CA   1 ? 1 
ATOM   852  C C    . SER   A 1 57  ? -7.917  -25.327 -22.973 1   49.807 ? 69  SER   A C    1 ? 1 
ATOM   853  O O    . SER   A 1 57  ? -7.785  -25.893 -21.87  1   46.46  ? 69  SER   A O    1 ? 1 
ATOM   854  C CB   . SER   A 1 57  ? -6.17   -26.254 -24.552 1   54.004 ? 69  SER   A CB   1 ? 1 
ATOM   855  O OG   . SER   A 1 57  ? -7.083  -26.755 -25.513 1   62.058 ? 69  SER   A OG   1 ? 1 
ATOM   856  H H    . SER   A 1 57  ? -5.588  -24.626 -22.195 1   45.238 ? 69  SER   A H    1 c 1 
ATOM   857  H HA   . SER   A 1 57  ? -7.004  -24.349 -24.56  1   46.923 ? 69  SER   A HA   1 c 1 
ATOM   858  H HB2  . SER   A 1 57  ? -5.324  -26.042 -24.989 1   54.706 ? 69  SER   A HB2  1 c 1 
ATOM   859  H HB3  . SER   A 1 57  ? -6.001  -26.938 -23.879 1   56.695 ? 69  SER   A HB3  1 c 1 
ATOM   860  H HG   . SER   A 1 57  ? -6.868  -27.397 -25.887 0   30     ? 69  SER   A HG   1 c 1 
ATOM   861  N N    . SER   A 1 58  ? -9.093  -25.05  -23.531 1   45.63  ? 70  SER   A N    1 ? 1 
ATOM   862  C CA   . SER   A 1 58  ? -10.32  -25.651 -23.058 1   43.689 ? 70  SER   A CA   1 ? 1 
ATOM   863  C C    . SER   A 1 58  ? -10.26  -27.17  -23.221 1   52.277 ? 70  SER   A C    1 ? 1 
ATOM   864  O O    . SER   A 1 58  ? -10.799 -27.858 -22.377 1   55.228 ? 70  SER   A O    1 ? 1 
ATOM   865  C CB   . SER   A 1 58  ? -11.501 -25.095 -23.803 1   38.676 ? 70  SER   A CB   1 ? 1 
ATOM   866  O OG   . SER   A 1 58  ? -11.394 -25.558 -25.138 1   41.112 ? 70  SER   A OG   1 ? 1 
ATOM   867  H H    . SER   A 1 58  ? -9.132  -24.461 -24.229 1   44.243 ? 70  SER   A H    1 c 1 
ATOM   868  H HA   . SER   A 1 58  ? -10.422 -25.441 -22.095 1   44.489 ? 70  SER   A HA   1 c 1 
ATOM   869  H HB2  . SER   A 1 58  ? -12.331 -25.414 -23.401 1   41.089 ? 70  SER   A HB2  1 c 1 
ATOM   870  H HB3  . SER   A 1 58  ? -11.483 -24.121 -23.782 1   38.054 ? 70  SER   A HB3  1 c 1 
ATOM   871  H HG   . SER   A 1 58  ? -12.028 -25.244 -25.622 0   30     ? 70  SER   A HG   1 c 1 
ATOM   872  N N    . HIS   A 1 59  ? -9.659  -27.705 -24.299 1   52.47  ? 71  HIS   A N    1 ? 1 
ATOM   873  C CA   . HIS   A 1 59  ? -9.509  -29.155 -24.432 1   65.774 ? 71  HIS   A CA   1 ? 1 
ATOM   874  C C    . HIS   A 1 59  ? -8.934  -29.805 -23.168 1   68.738 ? 71  HIS   A C    1 ? 1 
ATOM   875  O O    . HIS   A 1 59  ? -9.306  -30.93  -22.832 1   80.992 ? 71  HIS   A O    1 ? 1 
ATOM   876  C CB   . HIS   A 1 59  ? -8.728  -29.502 -25.701 1   69.076 ? 71  HIS   A CB   1 ? 1 
ATOM   877  C CG   . HIS   A 1 59  ? -9.48   -29.115 -26.92  1   70.491 ? 71  HIS   A CG   1 ? 1 
ATOM   878  N ND1  . HIS   A 1 59  ? -10.73  -29.646 -27.17  1   71.788 ? 71  HIS   A ND1  1 ? 1 
ATOM   879  C CD2  . HIS   A 1 59  ? -9.221  -28.255 -27.926 1   70.138 ? 71  HIS   A CD2  1 ? 1 
ATOM   880  C CE1  . HIS   A 1 59  ? -11.194 -29.149 -28.316 1   71.433 ? 71  HIS   A CE1  1 ? 1 
ATOM   881  N NE2  . HIS   A 1 59  ? -10.314 -28.27  -28.778 1   68.602 ? 71  HIS   A NE2  1 ? 1 
ATOM   882  H H    . HIS   A 1 59  ? -9.338  -27.16  -24.959 1   53.247 ? 71  HIS   A H    1 c 1 
ATOM   883  H HA   . HIS   A 1 59  ? -10.424 -29.51  -24.553 1   65.453 ? 71  HIS   A HA   1 c 1 
ATOM   884  H HB2  . HIS   A 1 59  ? -7.867  -29.035 -25.687 1   67.684 ? 71  HIS   A HB2  1 c 1 
ATOM   885  H HB3  . HIS   A 1 59  ? -8.561  -30.47  -25.718 1   71.504 ? 71  HIS   A HB3  1 c 1 
ATOM   886  H HD1  . HIS   A 1 59  ? -11.197 -30.271 -26.776 0   30     ? 71  HIS   A HD1  1 c 1 
ATOM   887  H HD2  . HIS   A 1 59  ? -8.455  -27.725 -28.028 1   67.985 ? 71  HIS   A HD2  1 c 1 
ATOM   888  H HE1  . HIS   A 1 59  ? -12.029 -29.351 -28.703 1   72.129 ? 71  HIS   A HE1  1 c 1 
ATOM   889  H HE2  . HIS   A 1 59  ? -10.228 -27.876 -29.576 0   30     ? 71  HIS   A HE2  1 c 1 
ATOM   890  N N    . ASP   A 1 60  ? -8.09   -29.08  -22.421 1   79.352 ? 72  ASP   A N    1 ? 1 
ATOM   891  C CA   . ASP   A 1 60  ? -7.489  -29.556 -21.178 1   79.129 ? 72  ASP   A CA   1 ? 1 
ATOM   892  C C    . ASP   A 1 60  ? -8.533  -29.831 -20.091 1   75.882 ? 72  ASP   A C    1 ? 1 
ATOM   893  O O    . ASP   A 1 60  ? -8.15   -30.262 -19.024 1   69.255 ? 72  ASP   A O    1 ? 1 
ATOM   894  C CB   . ASP   A 1 60  ? -6.517  -28.527 -20.58  1   78.56  ? 72  ASP   A CB   1 ? 1 
ATOM   895  C CG   . ASP   A 1 60  ? -5.306  -28.111 -21.412 1   72.482 ? 72  ASP   A CG   1 ? 1 
ATOM   896  O OD1  . ASP   A 1 60  ? -4.735  -29.006 -22.046 1   71.208 ? 72  ASP   A OD1  1 ? 1 
ATOM   897  O OD2  . ASP   A 1 60  ? -4.916  -26.907 -21.381 1   68.423 ? 72  ASP   A OD2  1 ? 1 
ATOM   898  H H    . ASP   A 1 60  ? -7.862  -28.246 -22.713 1   72.97  ? 72  ASP   A H    1 c 1 
ATOM   899  H HA   . ASP   A 1 60  ? -6.997  -30.387 -21.367 1   80.924 ? 72  ASP   A HA   1 c 1 
ATOM   900  H HB2  . ASP   A 1 60  ? -7.023  -27.719 -20.359 1   75.058 ? 72  ASP   A HB2  1 c 1 
ATOM   901  H HB3  . ASP   A 1 60  ? -6.169  -28.89  -19.739 1   78.383 ? 72  ASP   A HB3  1 c 1 
ATOM   902  N N    . ARG   A 1 61  ? -9.798  -29.426 -20.249 1   77.901 ? 73  ARG   A N    1 ? 1 
ATOM   903  C CA   . ARG   A 1 61  ? -10.859 -29.745 -19.29  1   71.19  ? 73  ARG   A CA   1 ? 1 
ATOM   904  C C    . ARG   A 1 61  ? -11.934 -30.602 -19.994 1   65.133 ? 73  ARG   A C    1 ? 1 
ATOM   905  O O    . ARG   A 1 61  ? -12.984 -30.889 -19.428 1   65.578 ? 73  ARG   A O    1 ? 1 
ATOM   906  C CB   . ARG   A 1 61  ? -11.252 -28.388 -18.657 1   69.84  ? 73  ARG   A CB   1 ? 1 
ATOM   907  H H    . ARG   A 1 61  ? -10.008 -28.9   -20.966 1   72.944 ? 73  ARG   A H    1 c 1 
ATOM   908  H HA   . ARG   A 1 61  ? -10.464 -30.297 -18.569 1   73.268 ? 73  ARG   A HA   1 c 1 
ATOM   909  H HB2  . ARG   A 1 61  ? -10.62  -27.969 -18.454 0   30     ? 73  ARG   A HB2  1 c 1 
ATOM   910  H HB3  . ARG   A 1 61  ? -12.377 -28.515 -18.719 0   30     ? 73  ARG   A HB3  1 c 1 
ATOM   911  N N    . ASN   A 1 62  ? -11.669 -30.982 -21.266 1   65.681 ? 74  ASN   A N    1 ? 1 
ATOM   912  C CA   . ASN   A 1 62  ? -12.562 -31.718 -22.177 1   67.136 ? 74  ASN   A CA   1 ? 1 
ATOM   913  C C    . ASN   A 1 62  ? -13.957 -31.078 -22.322 1   64.466 ? 74  ASN   A C    1 ? 1 
ATOM   914  O O    . ASN   A 1 62  ? -14.875 -31.723 -22.828 1   69.978 ? 74  ASN   A O    1 ? 1 
ATOM   915  C CB   . ASN   A 1 62  ? -12.608 -33.207 -21.796 1   65.379 ? 74  ASN   A CB   1 ? 1 
ATOM   916  H H    . ASN   A 1 62  ? -10.842 -30.774 -21.59  1   64.616 ? 74  ASN   A H    1 c 1 
ATOM   917  H HA   . ASN   A 1 62  ? -12.146 -31.679 -23.068 1   64.827 ? 74  ASN   A HA   1 c 1 
ATOM   918  H HB2  . ASN   A 1 62  ? -11.777 -33.51  -21.72  0   30     ? 74  ASN   A HB2  1 c 1 
ATOM   919  H HB3  . ASN   A 1 62  ? -13.625 -33.482 -21.728 0   30     ? 74  ASN   A HB3  1 c 1 
ATOM   920  N N    . GLU   A 1 63  ? -14.139 -29.813 -21.892 1   59.376 ? 75  GLU   A N    1 ? 1 
ATOM   921  C CA   . GLU   A 1 63  ? -15.461 -29.222 -21.736 1   58.124 ? 75  GLU   A CA   1 ? 1 
ATOM   922  C C    . GLU   A 1 63  ? -15.431 -27.771 -22.244 1   49.422 ? 75  GLU   A C    1 ? 1 
ATOM   923  O O    . GLU   A 1 63  ? -14.41  -27.06  -22.143 1   45.252 ? 75  GLU   A O    1 ? 1 
ATOM   924  C CB   . GLU   A 1 63  ? -15.948 -29.229 -20.289 1   60.473 ? 75  GLU   A CB   1 ? 1 
ATOM   925  C CG   . GLU   A 1 63  ? -15.28  -28.167 -19.423 1   59.352 ? 75  GLU   A CG   1 ? 1 
ATOM   926  C CD   . GLU   A 1 63  ? -15.843 -27.87  -18.029 1   68.284 ? 75  GLU   A CD   1 ? 1 
ATOM   927  O OE1  . GLU   A 1 63  ? -15.596 -26.8   -17.411 1   64.428 ? 75  GLU   A OE1  1 ? 1 
ATOM   928  O OE2  . GLU   A 1 63  ? -16.507 -28.788 -17.53  1   77.158 ? 75  GLU   A OE2  1 ? 1 
ATOM   929  H H    . GLU   A 1 63  ? -13.408 -29.295 -21.712 1   57.89  ? 75  GLU   A H    1 c 1 
ATOM   930  H HA   . GLU   A 1 63  ? -16.099 -29.739 -22.286 1   59.085 ? 75  GLU   A HA   1 c 1 
ATOM   931  H HB2  . GLU   A 1 63  ? -16.917 -29.085 -20.281 1   61.147 ? 75  GLU   A HB2  1 c 1 
ATOM   932  H HB3  . GLU   A 1 63  ? -15.774 -30.113 -19.902 1   63.162 ? 75  GLU   A HB3  1 c 1 
ATOM   933  H HG2  . GLU   A 1 63  ? -14.337 -28.416 -19.312 1   60.552 ? 75  GLU   A HG2  1 c 1 
ATOM   934  H HG3  . GLU   A 1 63  ? -15.282 -27.323 -19.917 1   57.982 ? 75  GLU   A HG3  1 c 1 
ATOM   935  N N    . PRO   A 1 64  ? -16.545 -27.274 -22.821 1   48.782 ? 76  PRO   A N    1 ? 1 
ATOM   936  C CA   . PRO   A 1 64  ? -16.465 -26     -23.498 1   42.993 ? 76  PRO   A CA   1 ? 1 
ATOM   937  C C    . PRO   A 1 64  ? -16.22  -24.858 -22.518 1   38.2   ? 76  PRO   A C    1 ? 1 
ATOM   938  O O    . PRO   A 1 64  ? -16.614 -24.935 -21.343 1   40.127 ? 76  PRO   A O    1 ? 1 
ATOM   939  C CB   . PRO   A 1 64  ? -17.762 -25.887 -24.273 1   45.329 ? 76  PRO   A CB   1 ? 1 
ATOM   940  C CG   . PRO   A 1 64  ? -18.567 -27.109 -23.927 1   52.659 ? 76  PRO   A CG   1 ? 1 
ATOM   941  C CD   . PRO   A 1 64  ? -17.879 -27.877 -22.86  1   53.574 ? 76  PRO   A CD   1 ? 1 
ATOM   942  H HA   . PRO   A 1 64  ? -15.724 -26.03  -24.139 1   42.38  ? 76  PRO   A HA   1 c 1 
ATOM   943  H HB2  . PRO   A 1 64  ? -18.244 -25.075 -24.022 1   44.516 ? 76  PRO   A HB2  1 c 1 
ATOM   944  H HB3  . PRO   A 1 64  ? -17.585 -25.853 -25.232 1   45.174 ? 76  PRO   A HB3  1 c 1 
ATOM   945  H HG2  . PRO   A 1 64  ? -19.458 -26.846 -23.621 1   52.129 ? 76  PRO   A HG2  1 c 1 
ATOM   946  H HG3  . PRO   A 1 64  ? -18.676 -27.672 -24.719 1   52.79  ? 76  PRO   A HG3  1 c 1 
ATOM   947  H HD2  . PRO   A 1 64  ? -18.33  -27.774 -22     1   54.001 ? 76  PRO   A HD2  1 c 1 
ATOM   948  H HD3  . PRO   A 1 64  ? -17.827 -28.825 -23.087 1   55.484 ? 76  PRO   A HD3  1 c 1 
ATOM   949  N N    . PHE   A 1 65  ? -15.667 -23.772 -23.082 1   33.507 ? 77  PHE   A N    1 ? 1 
ATOM   950  C CA   . PHE   A 1 65  ? -15.522 -22.486 -22.416 1   33.058 ? 77  PHE   A CA   1 ? 1 
ATOM   951  C C    . PHE   A 1 65  ? -16.768 -21.664 -22.766 1   31.524 ? 77  PHE   A C    1 ? 1 
ATOM   952  O O    . PHE   A 1 65  ? -17.087 -21.541 -23.947 1   29.875 ? 77  PHE   A O    1 ? 1 
ATOM   953  C CB   . PHE   A 1 65  ? -14.225 -21.786 -22.831 1   33.212 ? 77  PHE   A CB   1 ? 1 
ATOM   954  C CG   . PHE   A 1 65  ? -14.038 -20.446 -22.162 1   29.647 ? 77  PHE   A CG   1 ? 1 
ATOM   955  C CD1  . PHE   A 1 65  ? -13.623 -20.363 -20.844 1   31.832 ? 77  PHE   A CD1  1 ? 1 
ATOM   956  C CD2  . PHE   A 1 65  ? -14.383 -19.262 -22.804 1   28.237 ? 77  PHE   A CD2  1 ? 1 
ATOM   957  C CE1  . PHE   A 1 65  ? -13.477 -19.132 -20.225 1   30.877 ? 77  PHE   A CE1  1 ? 1 
ATOM   958  C CE2  . PHE   A 1 65  ? -14.229 -18.035 -22.197 1   27.416 ? 77  PHE   A CE2  1 ? 1 
ATOM   959  C CZ   . PHE   A 1 65  ? -13.805 -17.951 -20.91  1   30.458 ? 77  PHE   A CZ   1 ? 1 
ATOM   960  H H    . PHE   A 1 65  ? -15.362 -23.842 -23.941 1   33.89  ? 77  PHE   A H    1 c 1 
ATOM   961  H HA   . PHE   A 1 65  ? -15.5   -22.637 -21.434 1   33.83  ? 77  PHE   A HA   1 c 1 
ATOM   962  H HB2  . PHE   A 1 65  ? -13.468 -22.368 -22.602 1   32.796 ? 77  PHE   A HB2  1 c 1 
ATOM   963  H HB3  . PHE   A 1 65  ? -14.233 -21.66  -23.806 1   31.594 ? 77  PHE   A HB3  1 c 1 
ATOM   964  H HD1  . PHE   A 1 65  ? -13.4   -21.151 -20.375 1   32.827 ? 77  PHE   A HD1  1 c 1 
ATOM   965  H HD2  . PHE   A 1 65  ? -14.68  -19.298 -23.7   1   28.126 ? 77  PHE   A HD2  1 c 1 
ATOM   966  H HE1  . PHE   A 1 65  ? -13.172 -19.09  -19.333 1   31.654 ? 77  PHE   A HE1  1 c 1 
ATOM   967  H HE2  . PHE   A 1 65  ? -14.454 -17.248 -22.669 1   27.023 ? 77  PHE   A HE2  1 c 1 
ATOM   968  H HZ   . PHE   A 1 65  ? -13.704 -17.111 -20.492 1   28.993 ? 77  PHE   A HZ   1 c 1 
ATOM   969  N N    . VAL   A 1 66  ? -17.441 -21.18  -21.716 1   32.839 ? 78  VAL   A N    1 ? 1 
ATOM   970  C CA   . VAL   A 1 66  ? -18.745 -20.558 -21.845 1   33.553 ? 78  VAL   A CA   1 ? 1 
ATOM   971  C C    . VAL   A 1 66  ? -18.583 -19.156 -21.307 1   32.697 ? 78  VAL   A C    1 ? 1 
ATOM   972  O O    . VAL   A 1 66  ? -17.963 -18.953 -20.244 1   33.358 ? 78  VAL   A O    1 ? 1 
ATOM   973  C CB   . VAL   A 1 66  ? -19.899 -21.264 -21.101 1   35.917 ? 78  VAL   A CB   1 ? 1 
ATOM   974  C CG1  . VAL   A 1 66  ? -21.193 -20.512 -21.28  1   38.631 ? 78  VAL   A CG1  1 ? 1 
ATOM   975  C CG2  . VAL   A 1 66  ? -20.054 -22.727 -21.492 1   39.802 ? 78  VAL   A CG2  1 ? 1 
ATOM   976  H H    . VAL   A 1 66  ? -17.067 -21.237 -20.884 1   33.128 ? 78  VAL   A H    1 c 1 
ATOM   977  H HA   . VAL   A 1 66  ? -18.972 -20.507 -22.79  1   33.037 ? 78  VAL   A HA   1 c 1 
ATOM   978  H HB   . VAL   A 1 66  ? -19.677 -21.24  -20.141 1   37.318 ? 78  VAL   A HB   1 c 1 
ATOM   979  H HG11 . VAL   A 1 66  ? -21.39  -20.423 -22.228 1   37.321 ? 78  VAL   A HG11 1 c 1 
ATOM   980  H HG12 . VAL   A 1 66  ? -21.119 -19.63  -20.88  1   36.958 ? 78  VAL   A HG12 1 c 1 
ATOM   981  H HG13 . VAL   A 1 66  ? -21.909 -21.001 -20.846 1   40.149 ? 78  VAL   A HG13 1 c 1 
ATOM   982  H HG21 . VAL   A 1 66  ? -20.905 -23.065 -21.164 1   41.271 ? 78  VAL   A HG21 1 c 1 
ATOM   983  H HG22 . VAL   A 1 66  ? -19.33  -23.245 -21.103 1   39.718 ? 78  VAL   A HG22 1 c 1 
ATOM   984  H HG23 . VAL   A 1 66  ? -20.025 -22.809 -22.46  1   38.796 ? 78  VAL   A HG23 1 c 1 
ATOM   985  N N    . PHE   A 1 67  ? -19.043 -18.143 -22.091 1   31.086 ? 79  PHE   A N    1 ? 1 
ATOM   986  C CA   . PHE   A 1 67  ? -19.078 -16.774 -21.603 1   27.785 ? 79  PHE   A CA   1 ? 1 
ATOM   987  C C    . PHE   A 1 67  ? -20.194 -15.969 -22.294 1   28.483 ? 79  PHE   A C    1 ? 1 
ATOM   988  O O    . PHE   A 1 67  ? -20.762 -16.423 -23.298 1   29.485 ? 79  PHE   A O    1 ? 1 
ATOM   989  C CB   . PHE   A 1 67  ? -17.727 -16.105 -21.806 1   26.951 ? 79  PHE   A CB   1 ? 1 
ATOM   990  C CG   . PHE   A 1 67  ? -17.41  -15.739 -23.25  1   28.323 ? 79  PHE   A CG   1 ? 1 
ATOM   991  C CD1  . PHE   A 1 67  ? -17.07  -16.716 -24.172 1   30.84  ? 79  PHE   A CD1  1 ? 1 
ATOM   992  C CD2  . PHE   A 1 67  ? -17.475 -14.411 -23.704 1   26.799 ? 79  PHE   A CD2  1 ? 1 
ATOM   993  C CE1  . PHE   A 1 67  ? -16.76  -16.377 -25.487 1   29.952 ? 79  PHE   A CE1  1 ? 1 
ATOM   994  C CE2  . PHE   A 1 67  ? -17.17  -14.076 -25.016 1   26.224 ? 79  PHE   A CE2  1 ? 1 
ATOM   995  C CZ   . PHE   A 1 67  ? -16.826 -15.056 -25.903 1   25.024 ? 79  PHE   A CZ   1 ? 1 
ATOM   996  H H    . PHE   A 1 67  ? -19.333 -18.32  -22.94  1   30.565 ? 79  PHE   A H    1 c 1 
ATOM   997  H HA   . PHE   A 1 67  ? -19.271 -16.796 -20.628 1   29.612 ? 79  PHE   A HA   1 c 1 
ATOM   998  H HB2  . PHE   A 1 67  ? -17.701 -15.288 -21.26  1   27.038 ? 79  PHE   A HB2  1 c 1 
ATOM   999  H HB3  . PHE   A 1 67  ? -17.028 -16.709 -21.472 1   27.384 ? 79  PHE   A HB3  1 c 1 
ATOM   1000 H HD1  . PHE   A 1 67  ? -17.015 -17.617 -23.896 1   31.067 ? 79  PHE   A HD1  1 c 1 
ATOM   1001 H HD2  . PHE   A 1 67  ? -17.705 -13.728 -23.095 1   27.134 ? 79  PHE   A HD2  1 c 1 
ATOM   1002 H HE1  . PHE   A 1 67  ? -16.526 -17.053 -26.103 1   29.238 ? 79  PHE   A HE1  1 c 1 
ATOM   1003 H HE2  . PHE   A 1 67  ? -17.216 -13.176 -25.297 1   25.448 ? 79  PHE   A HE2  1 c 1 
ATOM   1004 H HZ   . PHE   A 1 67  ? -16.628 -14.833 -26.799 1   25.879 ? 79  PHE   A HZ   1 c 1 
ATOM   1005 N N    . SER   A 1 68  ? -20.56  -14.842 -21.679 1   29.449 ? 80  SER   A N    1 ? 1 
ATOM   1006 C CA   . SER   A 1 68  ? -21.579 -13.958 -22.258 1   31.323 ? 80  SER   A CA   1 ? 1 
ATOM   1007 C C    . SER   A 1 68  ? -20.844 -12.925 -23.123 1   28.033 ? 80  SER   A C    1 ? 1 
ATOM   1008 O O    . SER   A 1 68  ? -19.988 -12.209 -22.646 1   27.852 ? 80  SER   A O    1 ? 1 
ATOM   1009 C CB   . SER   A 1 68  ? -22.396 -13.232 -21.222 1   34.424 ? 80  SER   A CB   1 ? 1 
ATOM   1010 O OG   . SER   A 1 68  ? -23.237 -14.166 -20.586 1   38.96  ? 80  SER   A OG   1 ? 1 
ATOM   1011 H H    . SER   A 1 68  ? -20.172 -14.613 -20.884 1   29.622 ? 80  SER   A H    1 c 1 
ATOM   1012 H HA   . SER   A 1 68  ? -22.183 -14.492 -22.83  1   31.65  ? 80  SER   A HA   1 c 1 
ATOM   1013 H HB2  . SER   A 1 68  ? -21.804 -12.817 -20.566 1   34.23  ? 80  SER   A HB2  1 c 1 
ATOM   1014 H HB3  . SER   A 1 68  ? -22.933 -12.539 -21.649 1   34.648 ? 80  SER   A HB3  1 c 1 
ATOM   1015 H HG   . SER   A 1 68  ? -23.706 -13.882 -19.979 0   30     ? 80  SER   A HG   1 c 1 
ATOM   1016 N N    . LEU   A 1 69  ? -21.266 -12.79  -24.365 1   27.996 ? 81  LEU   A N    1 ? 1 
ATOM   1017 C CA   . LEU   A 1 69  ? -20.514 -11.942 -25.275 1   25.202 ? 81  LEU   A CA   1 ? 1 
ATOM   1018 C C    . LEU   A 1 69  ? -20.712 -10.471 -24.914 1   24.788 ? 81  LEU   A C    1 ? 1 
ATOM   1019 O O    . LEU   A 1 69  ? -21.808 -10.005 -24.626 1   28.94  ? 81  LEU   A O    1 ? 1 
ATOM   1020 C CB   . LEU   A 1 69  ? -21.007 -12.232 -26.672 1   29.122 ? 81  LEU   A CB   1 ? 1 
ATOM   1021 C CG   . LEU   A 1 69  ? -20.239 -11.505 -27.781 1   31.618 ? 81  LEU   A CG   1 ? 1 
ATOM   1022 C CD1  . LEU   A 1 69  ? -18.832 -12.021 -27.927 1   32.607 ? 81  LEU   A CD1  1 ? 1 
ATOM   1023 C CD2  . LEU   A 1 69  ? -21.089 -11.671 -29.023 1   37.804 ? 81  LEU   A CD2  1 ? 1 
ATOM   1024 H H    . LEU   A 1 69  ? -22.021 -13.215 -24.657 1   28.625 ? 81  LEU   A H    1 c 1 
ATOM   1025 H HA   . LEU   A 1 69  ? -19.554 -12.177 -25.207 1   25.176 ? 81  LEU   A HA   1 c 1 
ATOM   1026 H HB2  . LEU   A 1 69  ? -20.942 -13.202 -26.829 1   29.186 ? 81  LEU   A HB2  1 c 1 
ATOM   1027 H HB3  . LEU   A 1 69  ? -21.956 -11.974 -26.723 1   29.999 ? 81  LEU   A HB3  1 c 1 
ATOM   1028 H HG   . LEU   A 1 69  ? -20.199 -10.54  -27.557 1   32.059 ? 81  LEU   A HG   1 c 1 
ATOM   1029 H HD11 . LEU   A 1 69  ? -18.309 -11.767 -27.148 1   31.278 ? 81  LEU   A HD11 1 c 1 
ATOM   1030 H HD12 . LEU   A 1 69  ? -18.427 -11.641 -28.724 1   31.648 ? 81  LEU   A HD12 1 c 1 
ATOM   1031 H HD13 . LEU   A 1 69  ? -18.847 -12.99  -28.004 1   32.218 ? 81  LEU   A HD13 1 c 1 
ATOM   1032 H HD21 . LEU   A 1 69  ? -21.965 -11.282 -28.874 1   36.771 ? 81  LEU   A HD21 1 c 1 
ATOM   1033 H HD22 . LEU   A 1 69  ? -21.183 -12.616 -29.222 1   36.327 ? 81  LEU   A HD22 1 c 1 
ATOM   1034 H HD23 . LEU   A 1 69  ? -20.66  -11.224 -29.772 1   35.786 ? 81  LEU   A HD23 1 c 1 
ATOM   1035 N N    . GLY   A 1 70  ? -19.602 -9.774  -24.952 1   27.502 ? 82  GLY   A N    1 ? 1 
ATOM   1036 C CA   . GLY   A 1 70  ? -19.563 -8.337  -24.95  1   29.006 ? 82  GLY   A CA   1 ? 1 
ATOM   1037 C C    . GLY   A 1 70  ? -19.763 -7.764  -23.593 1   36.46  ? 82  GLY   A C    1 ? 1 
ATOM   1038 O O    . GLY   A 1 70  ? -20.101 -6.591  -23.548 1   42.094 ? 82  GLY   A O    1 ? 1 
ATOM   1039 H H    . GLY   A 1 70  ? -18.807 -10.224 -24.975 1   25.974 ? 82  GLY   A H    1 c 1 
ATOM   1040 H HA2  . GLY   A 1 70  ? -18.695 -8.039  -25.305 1   29.225 ? 82  GLY   A HA2  1 c 1 
ATOM   1041 H HA3  . GLY   A 1 70  ? -20.266 -7.998  -25.553 1   30.629 ? 82  GLY   A HA3  1 c 1 
ATOM   1042 N N    . LYS   A 1 71  ? -19.625 -8.605  -22.536 1   32.583 ? 83  LYS   A N    1 ? 1 
ATOM   1043 C CA   . LYS   A 1 71  ? -19.7   -8.169  -21.152 1   34.834 ? 83  LYS   A CA   1 ? 1 
ATOM   1044 C C    . LYS   A 1 71  ? -18.256 -7.958  -20.643 1   34.239 ? 83  LYS   A C    1 ? 1 
ATOM   1045 O O    . LYS   A 1 71  ? -17.994 -7.585  -19.544 1   34.559 ? 83  LYS   A O    1 ? 1 
ATOM   1046 C CB   . LYS   A 1 71  ? -20.702 -9.149  -20.54  1   30.356 ? 83  LYS   A CB   1 ? 1 
ATOM   1047 H H    . LYS   A 1 71  ? -19.456 -9.489  -22.699 1   33.113 ? 83  LYS   A H    1 c 1 
ATOM   1048 H HA   . LYS   A 1 71  ? -20.143 -7.283  -21.14  1   34.314 ? 83  LYS   A HA   1 c 1 
ATOM   1049 H HB2  . LYS   A 1 71  ? -20.139 -9.816  -20.028 0   30     ? 83  LYS   A HB2  1 c 1 
ATOM   1050 H HB3  . LYS   A 1 71  ? -21.595 -8.861  -20.677 0   30     ? 83  LYS   A HB3  1 c 1 
ATOM   1051 N N    . GLY   A 1 72  ? -17.238 -8.015  -21.492 1   37.543 ? 84  GLY   A N    1 ? 1 
ATOM   1052 C CA   . GLY   A 1 72  ? -15.852 -7.99   -20.999 1   42.304 ? 84  GLY   A CA   1 ? 1 
ATOM   1053 C C    . GLY   A 1 72  ? -15.516 -9.049  -19.917 1   44.011 ? 84  GLY   A C    1 ? 1 
ATOM   1054 O O    . GLY   A 1 72  ? -14.57  -8.832  -19.167 1   39.6   ? 84  GLY   A O    1 ? 1 
ATOM   1055 H H    . GLY   A 1 72  ? -17.387 -8.064  -22.392 1   36.782 ? 84  GLY   A H    1 c 1 
ATOM   1056 H HA2  . GLY   A 1 72  ? -15.248 -8.12   -21.767 1   40.122 ? 84  GLY   A HA2  1 c 1 
ATOM   1057 H HA3  . GLY   A 1 72  ? -15.669 -7.093  -20.633 1   41.704 ? 84  GLY   A HA3  1 c 1 
ATOM   1058 N N    . GLN   A 1 73  ? -16.238 -10.201 -19.899 1   34.587 ? 85  GLN   A N    1 ? 1 
ATOM   1059 C CA   . GLN   A 1 73  ? -15.832 -11.427 -19.212 1   32.927 ? 85  GLN   A CA   1 ? 1 
ATOM   1060 C C    . GLN   A 1 73  ? -14.511 -12.013 -19.736 1   29.947 ? 85  GLN   A C    1 ? 1 
ATOM   1061 O O    . GLN   A 1 73  ? -13.877 -12.846 -19.052 1   27.84  ? 85  GLN   A O    1 ? 1 
ATOM   1062 C CB   . GLN   A 1 73  ? -16.949 -12.477 -19.309 1   31.574 ? 85  GLN   A CB   1 ? 1 
ATOM   1063 C CG   . GLN   A 1 73  ? -18.135 -12.149 -18.417 1   33.605 ? 85  GLN   A CG   1 ? 1 
ATOM   1064 C CD   . GLN   A 1 73  ? -19.308 -13.07  -18.639 1   32.184 ? 85  GLN   A CD   1 ? 1 
ATOM   1065 O OE1  . GLN   A 1 73  ? -19.227 -14.081 -19.316 1   32.538 ? 85  GLN   A OE1  1 ? 1 
ATOM   1066 N NE2  . GLN   A 1 73  ? -20.435 -12.77  -18.035 1   38.426 ? 85  GLN   A NE2  1 ? 1 
ATOM   1067 H H    . GLN   A 1 73  ? -17.03  -10.215 -20.354 1   36.254 ? 85  GLN   A H    1 c 1 
ATOM   1068 H HA   . GLN   A 1 73  ? -15.709 -11.209 -18.254 1   33.485 ? 85  GLN   A HA   1 c 1 
ATOM   1069 H HB2  . GLN   A 1 73  ? -17.253 -12.536 -20.239 1   31.479 ? 85  GLN   A HB2  1 c 1 
ATOM   1070 H HB3  . GLN   A 1 73  ? -16.589 -13.352 -19.054 1   32.347 ? 85  GLN   A HB3  1 c 1 
ATOM   1071 H HG2  . GLN   A 1 73  ? -17.86  -12.209 -17.477 1   33.87  ? 85  GLN   A HG2  1 c 1 
ATOM   1072 H HG3  . GLN   A 1 73  ? -18.422 -11.226 -18.586 1   32.898 ? 85  GLN   A HG3  1 c 1 
ATOM   1073 H HE21 . GLN   A 1 73  ? -21.119 -13.334 -18.066 1   37.995 ? 85  GLN   A HE21 1 c 1 
ATOM   1074 H HE22 . GLN   A 1 73  ? -20.513 -12.002 -17.597 1   37.427 ? 85  GLN   A HE22 1 c 1 
ATOM   1075 N N    . VAL   A 1 74  ? -14.118 -11.574 -20.94  1   22.048 ? 86  VAL   A N    1 ? 1 
ATOM   1076 C CA   . VAL   A 1 74  ? -12.916 -12.02  -21.598 1   22.948 ? 86  VAL   A CA   1 ? 1 
ATOM   1077 C C    . VAL   A 1 74  ? -12.176 -10.786 -22.105 1   22.681 ? 86  VAL   A C    1 ? 1 
ATOM   1078 O O    . VAL   A 1 74  ? -12.715 -9.685  -22.044 1   23.273 ? 86  VAL   A O    1 ? 1 
ATOM   1079 C CB   . VAL   A 1 74  ? -13.316 -12.938 -22.77  1   23.608 ? 86  VAL   A CB   1 ? 1 
ATOM   1080 C CG1  . VAL   A 1 74  ? -13.829 -14.291 -22.23  1   25.891 ? 86  VAL   A CG1  1 ? 1 
ATOM   1081 C CG2  . VAL   A 1 74  ? -14.34  -12.266 -23.715 1   25.308 ? 86  VAL   A CG2  1 ? 1 
ATOM   1082 H H    . VAL   A 1 74  ? -14.643 -10.967 -21.375 1   23.995 ? 86  VAL   A H    1 c 1 
ATOM   1083 H HA   . VAL   A 1 74  ? -12.354 -12.509 -20.968 1   23.125 ? 86  VAL   A HA   1 c 1 
ATOM   1084 H HB   . VAL   A 1 74  ? -12.498 -13.115 -23.292 1   23.452 ? 86  VAL   A HB   1 c 1 
ATOM   1085 H HG11 . VAL   A 1 74  ? -14.649 -14.15  -21.726 1   26.215 ? 86  VAL   A HG11 1 c 1 
ATOM   1086 H HG12 . VAL   A 1 74  ? -13.157 -14.685 -21.649 1   25.75  ? 86  VAL   A HG12 1 c 1 
ATOM   1087 H HG13 . VAL   A 1 74  ? -14.006 -14.891 -22.974 1   25.55  ? 86  VAL   A HG13 1 c 1 
ATOM   1088 H HG21 . VAL   A 1 74  ? -14.435 -12.801 -24.521 1   24.669 ? 86  VAL   A HG21 1 c 1 
ATOM   1089 H HG22 . VAL   A 1 74  ? -14.031 -11.376 -23.953 1   24.382 ? 86  VAL   A HG22 1 c 1 
ATOM   1090 H HG23 . VAL   A 1 74  ? -15.201 -12.201 -23.269 1   25.375 ? 86  VAL   A HG23 1 c 1 
ATOM   1091 N N    . ILE   A 1 75  ? -10.951 -10.968 -22.579 1   22.537 ? 87  ILE   A N    1 ? 1 
ATOM   1092 C CA   . ILE   A 1 75  ? -10.21  -9.842  -23.155 1   21.813 ? 87  ILE   A CA   1 ? 1 
ATOM   1093 C C    . ILE   A 1 75  ? -11.019 -9.246  -24.318 1   21.39  ? 87  ILE   A C    1 ? 1 
ATOM   1094 O O    . ILE   A 1 75  ? -11.812 -9.945  -24.973 1   22.047 ? 87  ILE   A O    1 ? 1 
ATOM   1095 C CB   . ILE   A 1 75  ? -8.788  -10.258 -23.544 1   20.725 ? 87  ILE   A CB   1 ? 1 
ATOM   1096 C CG1  . ILE   A 1 75  ? -8.771  -11.464 -24.496 1   21.293 ? 87  ILE   A CG1  1 ? 1 
ATOM   1097 C CG2  . ILE   A 1 75  ? -7.938  -10.529 -22.294 1   25.308 ? 87  ILE   A CG2  1 ? 1 
ATOM   1098 C CD1  . ILE   A 1 75  ? -7.378  -11.75  -25.053 1   23.062 ? 87  ILE   A CD1  1 ? 1 
ATOM   1099 H H    . ILE   A 1 75  ? -10.56  -11.792 -22.534 1   22.302 ? 87  ILE   A H    1 c 1 
ATOM   1100 H HA   . ILE   A 1 75  ? -10.136 -9.155  -22.464 1   22.169 ? 87  ILE   A HA   1 c 1 
ATOM   1101 H HB   . ILE   A 1 75  ? -8.384  -9.506  -24.019 1   21.784 ? 87  ILE   A HB   1 c 1 
ATOM   1102 H HG12 . ILE   A 1 75  ? -9.088  -12.256 -24.016 1   21.631 ? 87  ILE   A HG12 1 c 1 
ATOM   1103 H HG13 . ILE   A 1 75  ? -9.383  -11.294 -25.24  1   21.359 ? 87  ILE   A HG13 1 c 1 
ATOM   1104 H HG21 . ILE   A 1 75  ? -6.998  -10.565 -22.539 1   24.001 ? 87  ILE   A HG21 1 c 1 
ATOM   1105 H HG22 . ILE   A 1 75  ? -8.201  -11.377 -21.899 1   24.138 ? 87  ILE   A HG22 1 c 1 
ATOM   1106 H HG23 . ILE   A 1 75  ? -8.074  -9.817  -21.646 1   24.412 ? 87  ILE   A HG23 1 c 1 
ATOM   1107 H HD11 . ILE   A 1 75  ? -6.976  -10.919 -25.371 1   22.62  ? 87  ILE   A HD11 1 c 1 
ATOM   1108 H HD12 . ILE   A 1 75  ? -7.446  -12.38  -25.795 1   22.605 ? 87  ILE   A HD12 1 c 1 
ATOM   1109 H HD13 . ILE   A 1 75  ? -6.816  -12.134 -24.353 1   22.778 ? 87  ILE   A HD13 1 c 1 
ATOM   1110 N N    . LYS   A 1 76  ? -10.739 -7.956  -24.624 1   24.745 ? 88  LYS   A N    1 ? 1 
ATOM   1111 C CA   . LYS   A 1 76  ? -11.48  -7.17   -25.608 1   22.497 ? 88  LYS   A CA   1 ? 1 
ATOM   1112 C C    . LYS   A 1 76  ? -11.418 -7.904  -26.949 1   22.233 ? 88  LYS   A C    1 ? 1 
ATOM   1113 O O    . LYS   A 1 76  ? -12.386 -7.912  -27.719 1   22.026 ? 88  LYS   A O    1 ? 1 
ATOM   1114 C CB   . LYS   A 1 76  ? -10.954 -5.735  -25.651 1   26.108 ? 88  LYS   A CB   1 ? 1 
ATOM   1115 H H    . LYS   A 1 76  ? -10.042 -7.554  -24.189 1   23.596 ? 88  LYS   A H    1 c 1 
ATOM   1116 H HA   . LYS   A 1 76  ? -12.428 -7.138  -25.319 1   23.71  ? 88  LYS   A HA   1 c 1 
ATOM   1117 H HB2  . LYS   A 1 76  ? -10.035 -5.742  -25.598 0   30     ? 88  LYS   A HB2  1 c 1 
ATOM   1118 H HB3  . LYS   A 1 76  ? -11.8   -5.158  -25.599 0   30     ? 88  LYS   A HB3  1 c 1 
ATOM   1119 N N    . ALA   A 1 77  ? -10.246 -8.453  -27.294 1   24.132 ? 89  ALA   A N    1 ? 1 
ATOM   1120 C CA   . ALA   A 1 77  ? -10.072 -9.142  -28.585 1   22.682 ? 89  ALA   A CA   1 ? 1 
ATOM   1121 C C    . ALA   A 1 77  ? -11.053 -10.294 -28.797 1   25.715 ? 89  ALA   A C    1 ? 1 
ATOM   1122 O O    . ALA   A 1 77  ? -11.517 -10.517 -29.914 1   25.025 ? 89  ALA   A O    1 ? 1 
ATOM   1123 C CB   . ALA   A 1 77  ? -8.707  -9.684  -28.77  1   23.847 ? 89  ALA   A CB   1 ? 1 
ATOM   1124 H H    . ALA   A 1 77  ? -9.533  -8.396  -26.725 1   23.175 ? 89  ALA   A H    1 c 1 
ATOM   1125 H HA   . ALA   A 1 77  ? -10.241 -8.471  -29.303 1   24.259 ? 89  ALA   A HA   1 c 1 
ATOM   1126 H HB1  . ALA   A 1 77  ? -8.067  -8.953  -28.8   1   23.822 ? 89  ALA   A HB1  1 c 1 
ATOM   1127 H HB2  . ALA   A 1 77  ? -8.487  -10.274 -28.03  1   23.15  ? 89  ALA   A HB2  1 c 1 
ATOM   1128 H HB3  . ALA   A 1 77  ? -8.662  -10.183 -29.603 1   23.831 ? 89  ALA   A HB3  1 c 1 
ATOM   1129 N N    . TRP   A 1 78  ? -11.468 -10.96  -27.711 1   23.413 ? 90  TRP   A N    1 ? 1 
ATOM   1130 C CA   . TRP   A 1 78  ? -12.449 -12.017 -27.857 1   23.714 ? 90  TRP   A CA   1 ? 1 
ATOM   1131 C C    . TRP   A 1 78  ? -13.87  -11.48  -28.059 1   23.808 ? 90  TRP   A C    1 ? 1 
ATOM   1132 O O    . TRP   A 1 78  ? -14.625 -12.107 -28.83  1   24.778 ? 90  TRP   A O    1 ? 1 
ATOM   1133 C CB   . TRP   A 1 78  ? -12.386 -12.957 -26.667 1   21.45  ? 90  TRP   A CB   1 ? 1 
ATOM   1134 C CG   . TRP   A 1 78  ? -11.422 -14.109 -26.741 1   22.181 ? 90  TRP   A CG   1 ? 1 
ATOM   1135 C CD1  . TRP   A 1 78  ? -10.076 -14.124 -27.044 1   22.584 ? 90  TRP   A CD1  1 ? 1 
ATOM   1136 C CD2  . TRP   A 1 78  ? -11.806 -15.48  -26.525 1   21.164 ? 90  TRP   A CD2  1 ? 1 
ATOM   1137 N NE1  . TRP   A 1 78  ? -9.609  -15.413 -27.058 1   22.688 ? 90  TRP   A NE1  1 ? 1 
ATOM   1138 C CE2  . TRP   A 1 78  ? -10.642 -16.266 -26.707 1   21.245 ? 90  TRP   A CE2  1 ? 1 
ATOM   1139 C CE3  . TRP   A 1 78  ? -13     -16.088 -26.139 1   22.491 ? 90  TRP   A CE3  1 ? 1 
ATOM   1140 C CZ2  . TRP   A 1 78  ? -10.67  -17.653 -26.578 1   25.317 ? 90  TRP   A CZ2  1 ? 1 
ATOM   1141 C CZ3  . TRP   A 1 78  ? -13.01  -17.455 -25.943 1   27.218 ? 90  TRP   A CZ3  1 ? 1 
ATOM   1142 C CH2  . TRP   A 1 78  ? -11.855 -18.224 -26.188 1   26.495 ? 90  TRP   A CH2  1 ? 1 
ATOM   1143 H H    . TRP   A 1 78  ? -11.135 -10.761 -26.883 1   23.614 ? 90  TRP   A H    1 c 1 
ATOM   1144 H HA   . TRP   A 1 78  ? -12.206 -12.545 -28.665 1   23.505 ? 90  TRP   A HA   1 c 1 
ATOM   1145 H HB2  . TRP   A 1 78  ? -12.174 -12.427 -25.869 1   21.894 ? 90  TRP   A HB2  1 c 1 
ATOM   1146 H HB3  . TRP   A 1 78  ? -13.286 -13.318 -26.517 1   22.474 ? 90  TRP   A HB3  1 c 1 
ATOM   1147 H HD1  . TRP   A 1 78  ? -9.56   -13.368 -27.274 1   22.046 ? 90  TRP   A HD1  1 c 1 
ATOM   1148 H HE1  . TRP   A 1 78  ? -8.795  -15.65  -27.22  1   22.496 ? 90  TRP   A HE1  1 c 1 
ATOM   1149 H HE3  . TRP   A 1 78  ? -13.772 -15.573 -25.982 1   23.127 ? 90  TRP   A HE3  1 c 1 
ATOM   1150 H HZ2  . TRP   A 1 78  ? -9.892  -18.17  -26.701 1   25.088 ? 90  TRP   A HZ2  1 c 1 
ATOM   1151 H HZ3  . TRP   A 1 78  ? -13.817 -17.887 -25.718 1   26.799 ? 90  TRP   A HZ3  1 c 1 
ATOM   1152 H HH2  . TRP   A 1 78  ? -11.896 -19.157 -26.077 1   27.594 ? 90  TRP   A HH2  1 c 1 
ATOM   1153 N N    . ASP   A 1 79  ? -14.247 -10.433 -27.324 1   22.882 ? 91  ASP   A N    1 ? 1 
ATOM   1154 C CA   . ASP   A 1 79  ? -15.564 -9.827  -27.509 1   21.681 ? 91  ASP   A CA   1 ? 1 
ATOM   1155 C C    . ASP   A 1 79  ? -15.675 -9.379  -28.966 1   27.735 ? 91  ASP   A C    1 ? 1 
ATOM   1156 O O    . ASP   A 1 79  ? -16.733 -9.52   -29.573 1   26.901 ? 91  ASP   A O    1 ? 1 
ATOM   1157 C CB   . ASP   A 1 79  ? -15.859 -8.7    -26.551 1   24.614 ? 91  ASP   A CB   1 ? 1 
ATOM   1158 C CG   . ASP   A 1 79  ? -16.316 -9.179  -25.159 1   24.783 ? 91  ASP   A CG   1 ? 1 
ATOM   1159 O OD1  . ASP   A 1 79  ? -16.842 -10.335 -25.105 1   24.236 ? 91  ASP   A OD1  1 ? 1 
ATOM   1160 O OD2  . ASP   A 1 79  ? -16.19  -8.371  -24.219 1   25.754 ? 91  ASP   A OD2  1 ? 1 
ATOM   1161 H H    . ASP   A 1 79  ? -13.682 -10.089 -26.694 1   22.423 ? 91  ASP   A H    1 c 1 
ATOM   1162 H HA   . ASP   A 1 79  ? -16.24  -10.525 -27.359 1   23.785 ? 91  ASP   A HA   1 c 1 
ATOM   1163 H HB2  . ASP   A 1 79  ? -15.053 -8.154  -26.442 1   23.702 ? 91  ASP   A HB2  1 c 1 
ATOM   1164 H HB3  . ASP   A 1 79  ? -16.564 -8.133  -26.927 1   24.563 ? 91  ASP   A HB3  1 c 1 
ATOM   1165 N N    . ILE   A 1 80  ? -14.597 -8.788  -29.497 1   23.608 ? 92  ILE   A N    1 ? 1 
ATOM   1166 C CA   . ILE   A 1 80  ? -14.557 -8.356  -30.89  1   26.167 ? 92  ILE   A CA   1 ? 1 
ATOM   1167 C C    . ILE   A 1 80  ? -14.569 -9.546  -31.87  1   23.393 ? 92  ILE   A C    1 ? 1 
ATOM   1168 O O    . ILE   A 1 80  ? -15.391 -9.634  -32.746 1   24.333 ? 92  ILE   A O    1 ? 1 
ATOM   1169 C CB   . ILE   A 1 80  ? -13.358 -7.422  -31.155 1   26.189 ? 92  ILE   A CB   1 ? 1 
ATOM   1170 C CG1  . ILE   A 1 80  ? -13.478 -6.105  -30.403 1   30.236 ? 92  ILE   A CG1  1 ? 1 
ATOM   1171 C CG2  . ILE   A 1 80  ? -13.207 -7.14   -32.661 1   31.287 ? 92  ILE   A CG2  1 ? 1 
ATOM   1172 C CD1  . ILE   A 1 80  ? -12.106 -5.441  -30.213 1   33.074 ? 92  ILE   A CD1  1 ? 1 
ATOM   1173 H H    . ILE   A 1 80  ? -13.862 -8.642  -28.973 1   24.424 ? 92  ILE   A H    1 c 1 
ATOM   1174 H HA   . ILE   A 1 80  ? -15.368 -7.836  -31.054 1   25.798 ? 92  ILE   A HA   1 c 1 
ATOM   1175 H HB   . ILE   A 1 80  ? -12.548 -7.875  -30.847 1   27.03  ? 92  ILE   A HB   1 c 1 
ATOM   1176 H HG12 . ILE   A 1 80  ? -14.063 -5.5    -30.902 1   30.755 ? 92  ILE   A HG12 1 c 1 
ATOM   1177 H HG13 . ILE   A 1 80  ? -13.881 -6.268  -29.526 1   29.398 ? 92  ILE   A HG13 1 c 1 
ATOM   1178 H HG21 . ILE   A 1 80  ? -12.654 -6.353  -32.793 1   30.631 ? 92  ILE   A HG21 1 c 1 
ATOM   1179 H HG22 . ILE   A 1 80  ? -14.083 -6.985  -33.053 1   30.735 ? 92  ILE   A HG22 1 c 1 
ATOM   1180 H HG23 . ILE   A 1 80  ? -12.789 -7.902  -33.097 1   30.043 ? 92  ILE   A HG23 1 c 1 
ATOM   1181 H HD11 . ILE   A 1 80  ? -11.496 -6.067  -29.779 1   31.466 ? 92  ILE   A HD11 1 c 1 
ATOM   1182 H HD12 . ILE   A 1 80  ? -12.205 -4.647  -29.654 1   32.62  ? 92  ILE   A HD12 1 c 1 
ATOM   1183 H HD13 . ILE   A 1 80  ? -11.74  -5.182  -31.08  1   32.943 ? 92  ILE   A HD13 1 c 1 
ATOM   1184 N N    . GLY   A 1 81  ? -13.718 -10.543 -31.644 1   22.868 ? 93  GLY   A N    1 ? 1 
ATOM   1185 C CA   . GLY   A 1 81  ? -13.5   -11.599 -32.622 1   23.658 ? 93  GLY   A CA   1 ? 1 
ATOM   1186 C C    . GLY   A 1 81  ? -14.577 -12.665 -32.646 1   25.577 ? 93  GLY   A C    1 ? 1 
ATOM   1187 O O    . GLY   A 1 81  ? -15.016 -13.035 -33.727 1   23.787 ? 93  GLY   A O    1 ? 1 
ATOM   1188 H H    . GLY   A 1 81  ? -13.255 -10.569 -30.857 1   22.233 ? 93  GLY   A H    1 c 1 
ATOM   1189 H HA2  . GLY   A 1 81  ? -13.436 -11.19  -33.517 1   24.738 ? 93  GLY   A HA2  1 c 1 
ATOM   1190 H HA3  . GLY   A 1 81  ? -12.633 -12.026 -32.431 1   23.646 ? 93  GLY   A HA3  1 c 1 
ATOM   1191 N N    . VAL   A 1 82  ? -15.03  -13.125 -31.429 1   23.987 ? 94  VAL   A N    1 ? 1 
ATOM   1192 C CA   . VAL   A 1 82  ? -16.06  -14.148 -31.412 1   24.238 ? 94  VAL   A CA   1 ? 1 
ATOM   1193 C C    . VAL   A 1 82  ? -17.368 -13.574 -31.958 1   26.198 ? 94  VAL   A C    1 ? 1 
ATOM   1194 O O    . VAL   A 1 82  ? -18.152 -14.332 -32.496 1   29.859 ? 94  VAL   A O    1 ? 1 
ATOM   1195 C CB   . VAL   A 1 82  ? -16.232 -14.785 -30.037 1   25.541 ? 94  VAL   A CB   1 ? 1 
ATOM   1196 C CG1  . VAL   A 1 82  ? -17.316 -15.833 -29.972 1   31.468 ? 94  VAL   A CG1  1 ? 1 
ATOM   1197 C CG2  . VAL   A 1 82  ? -14.925 -15.389 -29.661 1   26.054 ? 94  VAL   A CG2  1 ? 1 
ATOM   1198 H H    . VAL   A 1 82  ? -14.702 -12.789 -30.645 1   23.346 ? 94  VAL   A H    1 c 1 
ATOM   1199 H HA   . VAL   A 1 82  ? -15.776 -14.854 -32.024 1   25.544 ? 94  VAL   A HA   1 c 1 
ATOM   1200 H HB   . VAL   A 1 82  ? -16.445 -14.065 -29.398 1   25.649 ? 94  VAL   A HB   1 c 1 
ATOM   1201 H HG11 . VAL   A 1 82  ? -17.277 -16.39  -30.768 1   30.789 ? 94  VAL   A HG11 1 c 1 
ATOM   1202 H HG12 . VAL   A 1 82  ? -18.185 -15.4   -29.924 1   30.296 ? 94  VAL   A HG12 1 c 1 
ATOM   1203 H HG13 . VAL   A 1 82  ? -17.188 -16.387 -29.184 1   30.016 ? 94  VAL   A HG13 1 c 1 
ATOM   1204 H HG21 . VAL   A 1 82  ? -15.022 -15.881 -28.828 1   25.844 ? 94  VAL   A HG21 1 c 1 
ATOM   1205 H HG22 . VAL   A 1 82  ? -14.262 -14.689 -29.544 1   24.95  ? 94  VAL   A HG22 1 c 1 
ATOM   1206 H HG23 . VAL   A 1 82  ? -14.633 -15.996 -30.361 1   26.347 ? 94  VAL   A HG23 1 c 1 
ATOM   1207 N N    . ALA   A 1 83  ? -17.58  -12.262 -31.818 1   26.316 ? 95  ALA   A N    1 ? 1 
ATOM   1208 C CA   . ALA   A 1 83  ? -18.739 -11.606 -32.424 1   27.186 ? 95  ALA   A CA   1 ? 1 
ATOM   1209 C C    . ALA   A 1 83  ? -18.797 -11.778 -33.928 1   32.884 ? 95  ALA   A C    1 ? 1 
ATOM   1210 O O    . ALA   A 1 83  ? -19.933 -11.788 -34.433 1   35.208 ? 95  ALA   A O    1 ? 1 
ATOM   1211 C CB   . ALA   A 1 83  ? -18.831 -10.118 -32.111 1   31.865 ? 95  ALA   A CB   1 ? 1 
ATOM   1212 H H    . ALA   A 1 83  ? -16.998 -11.759 -31.323 1   25.35  ? 95  ALA   A H    1 c 1 
ATOM   1213 H HA   . ALA   A 1 83  ? -19.55  -12.046 -32.048 1   29.313 ? 95  ALA   A HA   1 c 1 
ATOM   1214 H HB1  . ALA   A 1 83  ? -18.863 -9.988  -31.148 1   29.69  ? 95  ALA   A HB1  1 c 1 
ATOM   1215 H HB2  . ALA   A 1 83  ? -18.054 -9.659  -32.471 1   29.997 ? 95  ALA   A HB2  1 c 1 
ATOM   1216 H HB3  . ALA   A 1 83  ? -19.636 -9.749  -32.511 1   31.221 ? 95  ALA   A HB3  1 c 1 
ATOM   1217 N N    . THR   A 1 84  ? -17.643 -11.976 -34.607 1   30.834 ? 96  THR   A N    1 ? 1 
ATOM   1218 C CA   . THR   A 1 84  ? -17.637 -12.106 -36.076 1   32.335 ? 96  THR   A CA   1 ? 1 
ATOM   1219 C C    . THR   A 1 84  ? -17.813 -13.541 -36.549 1   30.398 ? 96  THR   A C    1 ? 1 
ATOM   1220 O O    . THR   A 1 84  ? -17.896 -13.737 -37.746 1   36.147 ? 96  THR   A O    1 ? 1 
ATOM   1221 C CB   . THR   A 1 84  ? -16.332 -11.595 -36.677 1   31.658 ? 96  THR   A CB   1 ? 1 
ATOM   1222 O OG1  . THR   A 1 84  ? -15.322 -12.549 -36.318 1   33.282 ? 96  THR   A OG1  1 ? 1 
ATOM   1223 C CG2  . THR   A 1 84  ? -15.989 -10.204 -36.184 1   32.118 ? 96  THR   A CG2  1 ? 1 
ATOM   1224 H H    . THR   A 1 84  ? -16.849 -12.018 -34.157 1   30.241 ? 96  THR   A H    1 c 1 
ATOM   1225 H HA   . THR   A 1 84  ? -18.374 -11.565 -36.436 1   32.481 ? 96  THR   A HA   1 c 1 
ATOM   1226 H HB   . THR   A 1 84  ? -16.414 -11.566 -37.66  1   33.923 ? 96  THR   A HB   1 c 1 
ATOM   1227 H HG1  . THR   A 1 84  ? -15.269 -12.573 -35.433 0   30     ? 96  THR   A HG1  1 c 1 
ATOM   1228 H HG21 . THR   A 1 84  ? -15.275 -9.833  -36.729 1   32.223 ? 96  THR   A HG21 1 c 1 
ATOM   1229 H HG22 . THR   A 1 84  ? -15.697 -10.25  -35.258 1   30.414 ? 96  THR   A HG22 1 c 1 
ATOM   1230 H HG23 . THR   A 1 84  ? -16.773 -9.634  -36.247 1   32.201 ? 96  THR   A HG23 1 c 1 
ATOM   1231 N N    . MET   A 1 85  ? -17.961 -14.51  -35.661 1   29.217 ? 97  MET   A N    1 ? 1 
ATOM   1232 C CA   . MET   A 1 85  ? -17.908 -15.921 -35.998 1   31.642 ? 97  MET   A CA   1 ? 1 
ATOM   1233 C C    . MET   A 1 85  ? -19.304 -16.539 -36.129 1   36.355 ? 97  MET   A C    1 ? 1 
ATOM   1234 O O    . MET   A 1 85  ? -20.231 -16.166 -35.447 1   34.206 ? 97  MET   A O    1 ? 1 
ATOM   1235 C CB   . MET   A 1 85  ? -17.097 -16.72  -34.989 1   29.194 ? 97  MET   A CB   1 ? 1 
ATOM   1236 C CG   . MET   A 1 85  ? -15.639 -16.282 -34.888 1   30.354 ? 97  MET   A CG   1 ? 1 
ATOM   1237 S SD   . MET   A 1 85  ? -14.755 -17.225 -33.595 1   31.338 ? 97  MET   A SD   1 ? 1 
ATOM   1238 C CE   . MET   A 1 85  ? -14.725 -18.865 -34.3   1   31.523 ? 97  MET   A CE   1 ? 1 
ATOM   1239 H H    . MET   A 1 85  ? -18.107 -14.285 -34.788 1   28.656 ? 97  MET   A H    1 c 1 
ATOM   1240 H HA   . MET   A 1 85  ? -17.465 -15.997 -36.88  1   32.691 ? 97  MET   A HA   1 c 1 
ATOM   1241 H HB2  . MET   A 1 85  ? -17.518 -16.631 -34.107 1   29.287 ? 97  MET   A HB2  1 c 1 
ATOM   1242 H HB3  . MET   A 1 85  ? -17.129 -17.667 -35.241 1   31.263 ? 97  MET   A HB3  1 c 1 
ATOM   1243 H HG2  . MET   A 1 85  ? -15.194 -16.422 -35.745 1   31.059 ? 97  MET   A HG2  1 c 1 
ATOM   1244 H HG3  . MET   A 1 85  ? -15.597 -15.331 -34.673 1   29.103 ? 97  MET   A HG3  1 c 1 
ATOM   1245 H HE1  . MET   A 1 85  ? -14.249 -19.467 -33.699 1   31.938 ? 97  MET   A HE1  1 c 1 
ATOM   1246 H HE2  . MET   A 1 85  ? -15.638 -19.185 -34.42  1   32.969 ? 97  MET   A HE2  1 c 1 
ATOM   1247 H HE3  . MET   A 1 85  ? -14.272 -18.84  -35.163 1   32.833 ? 97  MET   A HE3  1 c 1 
ATOM   1248 N N    . LYS   A 1 86  ? -19.439 -17.483 -37.084 1   39.915 ? 98  LYS   A N    1 ? 1 
ATOM   1249 C CA   . LYS   A 1 86  ? -20.628 -18.298 -37.249 1   42.19  ? 98  LYS   A CA   1 ? 1 
ATOM   1250 C C    . LYS   A 1 86  ? -20.555 -19.602 -36.478 1   41.089 ? 98  LYS   A C    1 ? 1 
ATOM   1251 O O    . LYS   A 1 86  ? -19.483 -20.099 -36.126 1   40.965 ? 98  LYS   A O    1 ? 1 
ATOM   1252 C CB   . LYS   A 1 86  ? -20.817 -18.638 -38.724 1   49.32  ? 98  LYS   A CB   1 ? 1 
ATOM   1253 C CG   . LYS   A 1 86  ? -21.111 -17.394 -39.506 1   52.303 ? 98  LYS   A CG   1 ? 1 
ATOM   1254 C CD   . LYS   A 1 86  ? -20.758 -17.469 -40.972 1   62.47  ? 98  LYS   A CD   1 ? 1 
ATOM   1255 C CE   . LYS   A 1 86  ? -20.725 -16.054 -41.448 1   63.918 ? 98  LYS   A CE   1 ? 1 
ATOM   1256 N NZ   . LYS   A 1 86  ? -20.644 -16.186 -42.894 1   71.955 ? 98  LYS   A NZ   1 ? 1 
ATOM   1257 H H    . LYS   A 1 86  ? -18.743 -17.619 -37.661 1   40.067 ? 98  LYS   A H    1 c 1 
ATOM   1258 H HA   . LYS   A 1 86  ? -21.413 -17.781 -36.933 1   42.291 ? 98  LYS   A HA   1 c 1 
ATOM   1259 H HB2  . LYS   A 1 86  ? -20.003 -19.057 -39.075 1   49.287 ? 98  LYS   A HB2  1 c 1 
ATOM   1260 H HB3  . LYS   A 1 86  ? -21.562 -19.268 -38.828 1   50.479 ? 98  LYS   A HB3  1 c 1 
ATOM   1261 H HG2  . LYS   A 1 86  ? -22.069 -17.196 -39.422 1   53.779 ? 98  LYS   A HG2  1 c 1 
ATOM   1262 H HG3  . LYS   A 1 86  ? -20.619 -16.647 -39.1   1   51.374 ? 98  LYS   A HG3  1 c 1 
ATOM   1263 H HD2  . LYS   A 1 86  ? -19.876 -17.884 -41.094 1   60.866 ? 98  LYS   A HD2  1 c 1 
ATOM   1264 H HD3  . LYS   A 1 86  ? -21.441 -17.975 -41.464 1   63.091 ? 98  LYS   A HD3  1 c 1 
ATOM   1265 H HE2  . LYS   A 1 86  ? -21.538 -15.577 -41.2   1   64.373 ? 98  LYS   A HE2  1 c 1 
ATOM   1266 H HE3  . LYS   A 1 86  ? -19.946 -15.58  -41.109 1   62.892 ? 98  LYS   A HE3  1 c 1 
ATOM   1267 H HZ1  . LYS   A 1 86  ? -21.422 -16.516 -43.221 1   71.869 ? 98  LYS   A HZ1  1 c 1 
ATOM   1268 H HZ2  . LYS   A 1 86  ? -19.964 -16.739 -43.123 1   70.699 ? 98  LYS   A HZ2  1 c 1 
ATOM   1269 H HZ3  . LYS   A 1 86  ? -20.494 -15.371 -43.262 1   70.357 ? 98  LYS   A HZ3  1 c 1 
ATOM   1270 N N    . LYS   A 1 87  ? -21.717 -20.151 -36.182 1   42.547 ? 99  LYS   A N    1 ? 1 
ATOM   1271 C CA   . LYS   A 1 87  ? -21.784 -21.444 -35.534 1   45.604 ? 99  LYS   A CA   1 ? 1 
ATOM   1272 C C    . LYS   A 1 87  ? -21.003 -22.459 -36.356 1   46.325 ? 99  LYS   A C    1 ? 1 
ATOM   1273 O O    . LYS   A 1 87  ? -21.26  -22.577 -37.54  1   47.299 ? 99  LYS   A O    1 ? 1 
ATOM   1274 C CB   . LYS   A 1 87  ? -23.258 -21.819 -35.387 1   53.214 ? 99  LYS   A CB   1 ? 1 
ATOM   1275 C CG   . LYS   A 1 87  ? -23.401 -23.098 -34.601 1   60.532 ? 99  LYS   A CG   1 ? 1 
ATOM   1276 C CD   . LYS   A 1 87  ? -24.755 -23.405 -33.977 1   71.286 ? 99  LYS   A CD   1 ? 1 
ATOM   1277 C CE   . LYS   A 1 87  ? -24.679 -24.805 -33.386 1   77.105 ? 99  LYS   A CE   1 ? 1 
ATOM   1278 N NZ   . LYS   A 1 87  ? -26.01  -25.402 -33.278 1   81.532 ? 99  LYS   A NZ   1 ? 1 
ATOM   1279 H H    . LYS   A 1 87  ? -22.493 -19.715 -36.388 1   43.56  ? 99  LYS   A H    1 c 1 
ATOM   1280 H HA   . LYS   A 1 87  ? -21.372 -21.366 -34.636 1   44.42  ? 99  LYS   A HA   1 c 1 
ATOM   1281 H HB2  . LYS   A 1 87  ? -23.739 -21.1   -34.924 1   51.945 ? 99  LYS   A HB2  1 c 1 
ATOM   1282 H HB3  . LYS   A 1 87  ? -23.66  -21.939 -36.274 1   54.719 ? 99  LYS   A HB3  1 c 1 
ATOM   1283 H HG2  . LYS   A 1 87  ? -23.162 -23.841 -35.196 1   62.6   ? 99  LYS   A HG2  1 c 1 
ATOM   1284 H HG3  . LYS   A 1 87  ? -22.731 -23.085 -33.883 1   59.192 ? 99  LYS   A HG3  1 c 1 
ATOM   1285 H HD2  . LYS   A 1 87  ? -24.957 -22.756 -33.269 1   68.344 ? 99  LYS   A HD2  1 c 1 
ATOM   1286 H HD3  . LYS   A 1 87  ? -25.457 -23.373 -34.663 1   71.415 ? 99  LYS   A HD3  1 c 1 
ATOM   1287 H HE2  . LYS   A 1 87  ? -24.119 -25.379 -33.939 1   77.204 ? 99  LYS   A HE2  1 c 1 
ATOM   1288 H HE3  . LYS   A 1 87  ? -24.287 -24.759 -32.497 1   74.963 ? 99  LYS   A HE3  1 c 1 
ATOM   1289 H HZ1  . LYS   A 1 87  ? -26.36  -25.521 -34.105 1   82.567 ? 99  LYS   A HZ1  1 c 1 
ATOM   1290 H HZ2  . LYS   A 1 87  ? -26.553 -24.856 -32.801 1   80.475 ? 99  LYS   A HZ2  1 c 1 
ATOM   1291 H HZ3  . LYS   A 1 87  ? -25.953 -26.204 -32.861 1   82.558 ? 99  LYS   A HZ3  1 c 1 
ATOM   1292 N N    . GLY   A 1 88  ? -20.061 -23.185 -35.733 1   45.245 ? 100 GLY   A N    1 ? 1 
ATOM   1293 C CA   . GLY   A 1 88  ? -19.289 -24.204 -36.444 1   49.023 ? 100 GLY   A CA   1 ? 1 
ATOM   1294 C C    . GLY   A 1 88  ? -17.951 -23.706 -37.002 1   46.666 ? 100 GLY   A C    1 ? 1 
ATOM   1295 O O    . GLY   A 1 88  ? -17.05  -24.515 -37.327 1   48.144 ? 100 GLY   A O    1 ? 1 
ATOM   1296 H H    . GLY   A 1 88  ? -19.894 -23.044 -34.846 1   44.39  ? 100 GLY   A H    1 c 1 
ATOM   1297 H HA2  . GLY   A 1 88  ? -19.118 -24.952 -35.825 1   48.942 ? 100 GLY   A HA2  1 c 1 
ATOM   1298 H HA3  . GLY   A 1 88  ? -19.835 -24.556 -37.186 1   50.532 ? 100 GLY   A HA3  1 c 1 
ATOM   1299 N N    . GLU   A 1 89  ? -17.792 -22.387 -37.041 1   41.952 ? 101 GLU   A N    1 ? 1 
ATOM   1300 C CA   . GLU   A 1 89  ? -16.573 -21.777 -37.54  1   43.537 ? 101 GLU   A CA   1 ? 1 
ATOM   1301 C C    . GLU   A 1 89  ? -15.395 -22.063 -36.596 1   41.083 ? 101 GLU   A C    1 ? 1 
ATOM   1302 O O    . GLU   A 1 89  ? -15.53  -22.059 -35.368 1   38.848 ? 101 GLU   A O    1 ? 1 
ATOM   1303 C CB   . GLU   A 1 89  ? -16.725 -20.257 -37.573 1   44.466 ? 101 GLU   A CB   1 ? 1 
ATOM   1304 C CG   . GLU   A 1 89  ? -15.657 -19.461 -38.327 1   43.414 ? 101 GLU   A CG   1 ? 1 
ATOM   1305 C CD   . GLU   A 1 89  ? -15.999 -17.99  -38.487 1   43.934 ? 101 GLU   A CD   1 ? 1 
ATOM   1306 O OE1  . GLU   A 1 89  ? -17.139 -17.648 -38.888 1   40.438 ? 101 GLU   A OE1  1 ? 1 
ATOM   1307 O OE2  . GLU   A 1 89  ? -15.116 -17.145 -38.199 1   42.173 ? 101 GLU   A OE2  1 ? 1 
ATOM   1308 H H    . GLU   A 1 89  ? -18.463 -21.843 -36.745 1   42.321 ? 101 GLU   A H    1 c 1 
ATOM   1309 H HA   . GLU   A 1 89  ? -16.382 -22.131 -38.442 1   45.184 ? 101 GLU   A HA   1 c 1 
ATOM   1310 H HB2  . GLU   A 1 89  ? -17.59  -20.046 -37.981 1   44.391 ? 101 GLU   A HB2  1 c 1 
ATOM   1311 H HB3  . GLU   A 1 89  ? -16.748 -19.927 -36.65  1   41.81  ? 101 GLU   A HB3  1 c 1 
ATOM   1312 H HG2  . GLU   A 1 89  ? -14.804 -19.534 -37.849 1   42.928 ? 101 GLU   A HG2  1 c 1 
ATOM   1313 H HG3  . GLU   A 1 89  ? -15.536 -19.852 -39.218 1   45.881 ? 101 GLU   A HG3  1 c 1 
ATOM   1314 N N    . ILE   A 1 90  ? -14.235 -22.241 -37.22  1   42.643 ? 102 ILE   A N    1 ? 1 
ATOM   1315 C CA   . ILE   A 1 90  ? -12.944 -22.177 -36.534 1   39.768 ? 102 ILE   A CA   1 ? 1 
ATOM   1316 C C    . ILE   A 1 90  ? -12.166 -21.009 -37.12  1   36.773 ? 102 ILE   A C    1 ? 1 
ATOM   1317 O O    . ILE   A 1 90  ? -12.039 -20.882 -38.327 1   38.086 ? 102 ILE   A O    1 ? 1 
ATOM   1318 C CB   . ILE   A 1 90  ? -12.119 -23.484 -36.615 1   42.108 ? 102 ILE   A CB   1 ? 1 
ATOM   1319 C CG1  . ILE   A 1 90  ? -12.889 -24.666 -35.947 1   44.908 ? 102 ILE   A CG1  1 ? 1 
ATOM   1320 C CG2  . ILE   A 1 90  ? -10.764 -23.245 -35.935 1   40.513 ? 102 ILE   A CG2  1 ? 1 
ATOM   1321 C CD1  . ILE   A 1 90  ? -12.412 -26.099 -36.169 1   46.605 ? 102 ILE   A CD1  1 ? 1 
ATOM   1322 H H    . ILE   A 1 90  ? -14.239 -22.414 -38.118 1   43.807 ? 102 ILE   A H    1 c 1 
ATOM   1323 H HA   . ILE   A 1 90  ? -13.113 -21.991 -35.595 1   38.128 ? 102 ILE   A HA   1 c 1 
ATOM   1324 H HB   . ILE   A 1 90  ? -11.966 -23.7   -37.556 1   44.092 ? 102 ILE   A HB   1 c 1 
ATOM   1325 H HG12 . ILE   A 1 90  ? -12.893 -24.504 -34.982 1   42.714 ? 102 ILE   A HG12 1 c 1 
ATOM   1326 H HG13 . ILE   A 1 90  ? -13.82  -24.618 -36.245 1   44.921 ? 102 ILE   A HG13 1 c 1 
ATOM   1327 H HG21 . ILE   A 1 90  ? -10.368 -24.099 -35.691 1   41.694 ? 102 ILE   A HG21 1 c 1 
ATOM   1328 H HG22 . ILE   A 1 90  ? -10.889 -22.71  -35.134 1   38.541 ? 102 ILE   A HG22 1 c 1 
ATOM   1329 H HG23 . ILE   A 1 90  ? -10.169 -22.778 -36.545 1   40.576 ? 102 ILE   A HG23 1 c 1 
ATOM   1330 H HD11 . ILE   A 1 90  ? -12.448 -26.312 -37.121 1   48.857 ? 102 ILE   A HD11 1 c 1 
ATOM   1331 H HD12 . ILE   A 1 90  ? -12.988 -26.715 -35.678 1   47.863 ? 102 ILE   A HD12 1 c 1 
ATOM   1332 H HD13 . ILE   A 1 90  ? -11.494 -26.192 -35.851 1   46.583 ? 102 ILE   A HD13 1 c 1 
ATOM   1333 N N    . ALA   A 1 91  ? -11.637 -20.161 -36.258 1   34.92  ? 103 ALA   A N    1 ? 1 
ATOM   1334 C CA   . ALA   A 1 91  ? -10.858 -18.992 -36.632 1   34.789 ? 103 ALA   A CA   1 ? 1 
ATOM   1335 C C    . ALA   A 1 91  ? -9.522  -18.915 -35.88  1   34.546 ? 103 ALA   A C    1 ? 1 
ATOM   1336 O O    . ALA   A 1 91  ? -9.395  -19.396 -34.728 1   30.533 ? 103 ALA   A O    1 ? 1 
ATOM   1337 C CB   . ALA   A 1 91  ? -11.707 -17.784 -36.335 1   31.731 ? 103 ALA   A CB   1 ? 1 
ATOM   1338 H H    . ALA   A 1 91  ? -11.766 -20.317 -35.366 1   33.983 ? 103 ALA   A H    1 c 1 
ATOM   1339 H HA   . ALA   A 1 91  ? -10.671 -19.034 -37.608 1   36.062 ? 103 ALA   A HA   1 c 1 
ATOM   1340 H HB1  . ALA   A 1 91  ? -12.527 -17.825 -36.855 1   33.029 ? 103 ALA   A HB1  1 c 1 
ATOM   1341 H HB2  . ALA   A 1 91  ? -11.927 -17.763 -35.389 1   30.863 ? 103 ALA   A HB2  1 c 1 
ATOM   1342 H HB3  . ALA   A 1 91  ? -11.219 -16.976 -36.569 1   31.717 ? 103 ALA   A HB3  1 c 1 
ATOM   1343 N N    . HIS   A 1 92  ? -8.518  -18.292 -36.525 1   31.825 ? 104 HIS   A N    1 ? 1 
ATOM   1344 C CA   . HIS   A 1 92  ? -7.301  -17.92  -35.813 1   30.089 ? 104 HIS   A CA   1 ? 1 
ATOM   1345 C C    . HIS   A 1 92  ? -7.36   -16.41  -35.492 1   30.757 ? 104 HIS   A C    1 ? 1 
ATOM   1346 O O    . HIS   A 1 92  ? -7.724  -15.628 -36.364 1   33.197 ? 104 HIS   A O    1 ? 1 
ATOM   1347 C CB   . HIS   A 1 92  ? -6.087  -18.206 -36.682 1   30.82  ? 104 HIS   A CB   1 ? 1 
ATOM   1348 C CG   . HIS   A 1 92  ? -5.675  -19.645 -36.763 1   31.18  ? 104 HIS   A CG   1 ? 1 
ATOM   1349 N ND1  . HIS   A 1 92  ? -4.757  -20.238 -37.588 1   35.988 ? 104 HIS   A ND1  1 ? 1 
ATOM   1350 C CD2  . HIS   A 1 92  ? -6.211  -20.63  -36.025 1   31.122 ? 104 HIS   A CD2  1 ? 1 
ATOM   1351 C CE1  . HIS   A 1 92  ? -4.664  -21.521 -37.298 1   35.84  ? 104 HIS   A CE1  1 ? 1 
ATOM   1352 N NE2  . HIS   A 1 92  ? -5.613  -21.781 -36.384 1   32.416 ? 104 HIS   A NE2  1 ? 1 
ATOM   1353 H H    . HIS   A 1 92  ? -8.594  -18.097 -37.415 1   33.558 ? 104 HIS   A H    1 c 1 
ATOM   1354 H HA   . HIS   A 1 92  ? -7.241  -18.421 -34.966 1   29.716 ? 104 HIS   A HA   1 c 1 
ATOM   1355 H HB2  . HIS   A 1 92  ? -6.271  -17.88  -37.59  1   31.854 ? 104 HIS   A HB2  1 c 1 
ATOM   1356 H HB3  . HIS   A 1 92  ? -5.329  -17.683 -36.339 1   30.109 ? 104 HIS   A HB3  1 c 1 
ATOM   1357 H HD1  . HIS   A 1 92  ? -4.243  -19.758 -38.111 0   30     ? 104 HIS   A HD1  1 c 1 
ATOM   1358 H HD2  . HIS   A 1 92  ? -6.887  -20.552 -35.381 1   29.672 ? 104 HIS   A HD2  1 c 1 
ATOM   1359 H HE1  . HIS   A 1 92  ? -4.125  -22.154 -37.736 1   37.68  ? 104 HIS   A HE1  1 c 1 
ATOM   1360 H HE2  . HIS   A 1 92  ? -5.781  -22.612 -36.121 0   30     ? 104 HIS   A HE2  1 c 1 
ATOM   1361 N N    . LEU   A 1 93  ? -6.983  -15.998 -34.293 1   28.402 ? 105 LEU   A N    1 ? 1 
ATOM   1362 C CA   . LEU   A 1 93  ? -6.86   -14.59  -33.928 1   28.813 ? 105 LEU   A CA   1 ? 1 
ATOM   1363 C C    . LEU   A 1 93  ? -5.425  -14.35  -33.474 1   27.329 ? 105 LEU   A C    1 ? 1 
ATOM   1364 O O    . LEU   A 1 93  ? -4.879  -15.054 -32.59  1   28.352 ? 105 LEU   A O    1 ? 1 
ATOM   1365 C CB   . LEU   A 1 93  ? -7.801  -14.129 -32.81  1   26.796 ? 105 LEU   A CB   1 ? 1 
ATOM   1366 C CG   . LEU   A 1 93  ? -9.305  -14.314 -32.972 1   27.335 ? 105 LEU   A CG   1 ? 1 
ATOM   1367 C CD1  . LEU   A 1 93  ? -10.105 -13.872 -31.779 1   26.164 ? 105 LEU   A CD1  1 ? 1 
ATOM   1368 C CD2  . LEU   A 1 93  ? -9.711  -13.503 -34.188 1   28.334 ? 105 LEU   A CD2  1 ? 1 
ATOM   1369 H H    . LEU   A 1 93  ? -6.789  -16.626 -33.658 1   28.623 ? 105 LEU   A H    1 c 1 
ATOM   1370 H HA   . LEU   A 1 93  ? -7.031  -14.047 -34.734 1   28.825 ? 105 LEU   A HA   1 c 1 
ATOM   1371 H HB2  . LEU   A 1 93  ? -7.528  -14.589 -31.983 1   26.473 ? 105 LEU   A HB2  1 c 1 
ATOM   1372 H HB3  . LEU   A 1 93  ? -7.629  -13.172 -32.652 1   26.557 ? 105 LEU   A HB3  1 c 1 
ATOM   1373 H HG   . LEU   A 1 93  ? -9.492  -15.273 -33.148 1   27.918 ? 105 LEU   A HG   1 c 1 
ATOM   1374 H HD11 . LEU   A 1 93  ? -9.839  -14.388 -30.999 1   25.748 ? 105 LEU   A HD11 1 c 1 
ATOM   1375 H HD12 . LEU   A 1 93  ? -11.051 -14.012 -31.951 1   26.34  ? 105 LEU   A HD12 1 c 1 
ATOM   1376 H HD13 . LEU   A 1 93  ? -9.944  -12.928 -31.611 1   25.682 ? 105 LEU   A HD13 1 c 1 
ATOM   1377 H HD21 . LEU   A 1 93  ? -9.373  -13.93  -34.993 1   29.488 ? 105 LEU   A HD21 1 c 1 
ATOM   1378 H HD22 . LEU   A 1 93  ? -9.344  -12.606 -34.12  1   28.036 ? 105 LEU   A HD22 1 c 1 
ATOM   1379 H HD23 . LEU   A 1 93  ? -10.681 -13.451 -34.235 1   28.294 ? 105 LEU   A HD23 1 c 1 
ATOM   1380 N N    . LEU   A 1 94  ? -4.879  -13.246 -33.939 1   25.672 ? 106 LEU   A N    1 ? 1 
ATOM   1381 C CA   . LEU   A 1 94  ? -3.634  -12.716 -33.411 1   26.211 ? 106 LEU   A CA   1 ? 1 
ATOM   1382 C C    . LEU   A 1 94  ? -3.915  -11.325 -32.852 1   25.54  ? 106 LEU   A C    1 ? 1 
ATOM   1383 O O    . LEU   A 1 94  ? -4.535  -10.483 -33.567 1   25.745 ? 106 LEU   A O    1 ? 1 
ATOM   1384 C CB   . LEU   A 1 94  ? -2.575  -12.635 -34.506 1   29.364 ? 106 LEU   A CB   1 ? 1 
ATOM   1385 C CG   . LEU   A 1 94  ? -1.151  -12.27  -34.058 1   32.001 ? 106 LEU   A CG   1 ? 1 
ATOM   1386 C CD1  . LEU   A 1 94  ? -0.529  -13.357 -33.226 1   32.618 ? 106 LEU   A CD1  1 ? 1 
ATOM   1387 C CD2  . LEU   A 1 94  ? -0.263  -11.981 -35.28  1   37.656 ? 106 LEU   A CD2  1 ? 1 
ATOM   1388 H H    . LEU   A 1 94  ? -5.292  -12.794 -34.618 1   26.839 ? 106 LEU   A H    1 c 1 
ATOM   1389 H HA   . LEU   A 1 94  ? -3.314  -13.305 -32.682 1   25.912 ? 106 LEU   A HA   1 c 1 
ATOM   1390 H HB2  . LEU   A 1 94  ? -2.541  -13.507 -34.963 1   30.385 ? 106 LEU   A HB2  1 c 1 
ATOM   1391 H HB3  . LEU   A 1 94  ? -2.871  -11.97  -35.169 1   30.175 ? 106 LEU   A HB3  1 c 1 
ATOM   1392 H HG   . LEU   A 1 94  ? -1.198  -11.446 -33.508 1   31.537 ? 106 LEU   A HG   1 c 1 
ATOM   1393 H HD11 . LEU   A 1 94  ? -1.014  -13.445 -32.389 1   30.923 ? 106 LEU   A HD11 1 c 1 
ATOM   1394 H HD12 . LEU   A 1 94  ? 0.398   -13.134 -33.04  1   32.997 ? 106 LEU   A HD12 1 c 1 
ATOM   1395 H HD13 . LEU   A 1 94  ? -0.567  -14.199 -33.71  1   33.127 ? 106 LEU   A HD13 1 c 1 
ATOM   1396 H HD21 . LEU   A 1 94  ? -0.629  -11.231 -35.778 1   37.106 ? 106 LEU   A HD21 1 c 1 
ATOM   1397 H HD22 . LEU   A 1 94  ? -0.232  -12.765 -35.853 1   37.682 ? 106 LEU   A HD22 1 c 1 
ATOM   1398 H HD23 . LEU   A 1 94  ? 0.637   -11.763 -34.983 1   37.221 ? 106 LEU   A HD23 1 c 1 
ATOM   1399 N N    . ILE   A 1 95  ? -3.411  -11.089 -31.623 1   23.494 ? 107 ILE   A N    1 ? 1 
ATOM   1400 C CA   . ILE   A 1 95  ? -3.893  -10.037 -30.754 1   24.945 ? 107 ILE   A CA   1 ? 1 
ATOM   1401 C C    . ILE   A 1 95  ? -2.752  -9.207  -30.172 1   26.911 ? 107 ILE   A C    1 ? 1 
ATOM   1402 O O    . ILE   A 1 95  ? -1.888  -9.701  -29.429 1   26.486 ? 107 ILE   A O    1 ? 1 
ATOM   1403 C CB   . ILE   A 1 95  ? -4.775  -10.586 -29.629 1   24.65  ? 107 ILE   A CB   1 ? 1 
ATOM   1404 C CG1  . ILE   A 1 95  ? -5.905  -11.405 -30.182 1   23.395 ? 107 ILE   A CG1  1 ? 1 
ATOM   1405 C CG2  . ILE   A 1 95  ? -5.194  -9.425  -28.746 1   24.161 ? 107 ILE   A CG2  1 ? 1 
ATOM   1406 C CD1  . ILE   A 1 95  ? -6.54   -12.348 -29.163 1   24.831 ? 107 ILE   A CD1  1 ? 1 
ATOM   1407 H H    . ILE   A 1 95  ? -2.726  -11.615 -31.324 1   24.47  ? 107 ILE   A H    1 c 1 
ATOM   1408 H HA   . ILE   A 1 95  ? -4.447  -9.443  -31.293 1   25.166 ? 107 ILE   A HA   1 c 1 
ATOM   1409 H HB   . ILE   A 1 95  ? -4.221  -11.182 -29.087 1   24.167 ? 107 ILE   A HB   1 c 1 
ATOM   1410 H HG12 . ILE   A 1 95  ? -6.595  -10.8   -30.524 1   24.108 ? 107 ILE   A HG12 1 c 1 
ATOM   1411 H HG13 . ILE   A 1 95  ? -5.576  -11.938 -30.933 1   24.789 ? 107 ILE   A HG13 1 c 1 
ATOM   1412 H HG21 . ILE   A 1 95  ? -5.968  -9.682  -28.219 1   23.544 ? 107 ILE   A HG21 1 c 1 
ATOM   1413 H HG22 . ILE   A 1 95  ? -5.421  -8.658  -29.298 1   24.597 ? 107 ILE   A HG22 1 c 1 
ATOM   1414 H HG23 . ILE   A 1 95  ? -4.465  -9.19   -28.148 1   24.332 ? 107 ILE   A HG23 1 c 1 
ATOM   1415 H HD11 . ILE   A 1 95  ? -5.866  -12.979 -28.846 1   24.325 ? 107 ILE   A HD11 1 c 1 
ATOM   1416 H HD12 . ILE   A 1 95  ? -7.272  -12.839 -29.58  1   24.252 ? 107 ILE   A HD12 1 c 1 
ATOM   1417 H HD13 . ILE   A 1 95  ? -6.883  -11.837 -28.406 1   23.636 ? 107 ILE   A HD13 1 c 1 
ATOM   1418 N N    . LYS   A 1 96  ? -2.715  -7.912  -30.537 1   26.454 ? 108 LYS   A N    1 ? 1 
ATOM   1419 C CA   . LYS   A 1 96  ? -1.816  -6.978  -29.868 1   26.081 ? 108 LYS   A CA   1 ? 1 
ATOM   1420 C C    . LYS   A 1 96  ? -2.182  -6.757  -28.404 1   25.693 ? 108 LYS   A C    1 ? 1 
ATOM   1421 O O    . LYS   A 1 96  ? -3.331  -6.846  -28.024 1   25.247 ? 108 LYS   A O    1 ? 1 
ATOM   1422 C CB   . LYS   A 1 96  ? -1.774  -5.659  -30.645 1   29.842 ? 108 LYS   A CB   1 ? 1 
ATOM   1423 C CG   . LYS   A 1 96  ? -1.142  -5.841  -32.054 1   32.783 ? 108 LYS   A CG   1 ? 1 
ATOM   1424 C CD   . LYS   A 1 96  ? -1.156  -4.635  -33.014 1   37.684 ? 108 LYS   A CD   1 ? 1 
ATOM   1425 C CE   . LYS   A 1 96  ? -0.499  -4.798  -34.398 1   39.694 ? 108 LYS   A CE   1 ? 1 
ATOM   1426 N NZ   . LYS   A 1 96  ? -0.567  -3.464  -35.005 1   48.91  ? 108 LYS   A NZ   1 ? 1 
ATOM   1427 H H    . LYS   A 1 96  ? -3.257  -7.608  -31.208 1   26.847 ? 108 LYS   A H    1 c 1 
ATOM   1428 H HA   . LYS   A 1 96  ? -0.907  -7.368  -29.902 1   27.421 ? 108 LYS   A HA   1 c 1 
ATOM   1429 H HB2  . LYS   A 1 96  ? -2.686  -5.313  -30.747 1   29.227 ? 108 LYS   A HB2  1 c 1 
ATOM   1430 H HB3  . LYS   A 1 96  ? -1.251  -4.999  -30.146 1   30.334 ? 108 LYS   A HB3  1 c 1 
ATOM   1431 H HG2  . LYS   A 1 96  ? -0.209  -6.12   -31.928 1   33.659 ? 108 LYS   A HG2  1 c 1 
ATOM   1432 H HG3  . LYS   A 1 96  ? -1.602  -6.587  -32.495 1   32.559 ? 108 LYS   A HG3  1 c 1 
ATOM   1433 H HD2  . LYS   A 1 96  ? -2.089  -4.367  -33.148 1   36.481 ? 108 LYS   A HD2  1 c 1 
ATOM   1434 H HD3  . LYS   A 1 96  ? -0.718  -3.886  -32.554 1   37.746 ? 108 LYS   A HD3  1 c 1 
ATOM   1435 H HE2  . LYS   A 1 96  ? 0.431   -5.075  -34.309 1   41.878 ? 108 LYS   A HE2  1 c 1 
ATOM   1436 H HE3  . LYS   A 1 96  ? -0.978  -5.443  -34.947 1   40.873 ? 108 LYS   A HE3  1 c 1 
ATOM   1437 H HZ1  . LYS   A 1 96  ? -0.012  -2.9    -34.564 1   47.112 ? 108 LYS   A HZ1  1 c 1 
ATOM   1438 H HZ2  . LYS   A 1 96  ? -1.412  -3.141  -34.961 1   45.809 ? 108 LYS   A HZ2  1 c 1 
ATOM   1439 H HZ3  . LYS   A 1 96  ? -0.309  -3.512  -35.872 1   47.961 ? 108 LYS   A HZ3  1 c 1 
ATOM   1440 N N    . PRO   A 1 97  ? -1.22   -6.273  -27.568 1   28.397 ? 109 PRO   A N    1 ? 1 
ATOM   1441 C CA   . PRO   A 1 97  ? -1.428  -6.145  -26.144 1   30.818 ? 109 PRO   A CA   1 ? 1 
ATOM   1442 C C    . PRO   A 1 97  ? -2.561  -5.222  -25.724 1   29.157 ? 109 PRO   A C    1 ? 1 
ATOM   1443 O O    . PRO   A 1 97  ? -3.253  -5.486  -24.755 1   26.072 ? 109 PRO   A O    1 ? 1 
ATOM   1444 C CB   . PRO   A 1 97  ? -0.07   -5.69   -25.551 1   32     ? 109 PRO   A CB   1 ? 1 
ATOM   1445 C CG   . PRO   A 1 97  ? 0.902   -5.838  -26.665 1   32.564 ? 109 PRO   A CG   1 ? 1 
ATOM   1446 C CD   . PRO   A 1 97  ? 0.167   -6.008  -27.97  1   31.838 ? 109 PRO   A CD   1 ? 1 
ATOM   1447 H HA   . PRO   A 1 97  ? -1.618  -7.037  -25.786 1   29.018 ? 109 PRO   A HA   1 c 1 
ATOM   1448 H HB2  . PRO   A 1 97  ? -0.115  -4.76   -25.252 1   32.724 ? 109 PRO   A HB2  1 c 1 
ATOM   1449 H HB3  . PRO   A 1 97  ? 0.182   -6.251  -24.793 1   31.633 ? 109 PRO   A HB3  1 c 1 
ATOM   1450 H HG2  . PRO   A 1 97  ? 1.478   -5.049  -26.712 1   33.96  ? 109 PRO   A HG2  1 c 1 
ATOM   1451 H HG3  . PRO   A 1 97  ? 1.471   -6.617  -26.508 1   32.504 ? 109 PRO   A HG3  1 c 1 
ATOM   1452 H HD2  . PRO   A 1 97  ? 0.22    -5.197  -28.51  1   32.518 ? 109 PRO   A HD2  1 c 1 
ATOM   1453 H HD3  . PRO   A 1 97  ? 0.53    -6.757  -28.479 1   31.486 ? 109 PRO   A HD3  1 c 1 
ATOM   1454 N N    . GLU   A 1 98  ? -2.807  -4.166  -26.493 1   27.873 ? 110 GLU   A N    1 ? 1 
ATOM   1455 C CA   . GLU   A 1 98  ? -3.88   -3.246  -26.182 1   29.348 ? 110 GLU   A CA   1 ? 1 
ATOM   1456 C C    . GLU   A 1 98  ? -5.258  -3.923  -26.134 1   25.599 ? 110 GLU   A C    1 ? 1 
ATOM   1457 O O    . GLU   A 1 98  ? -6.136  -3.399  -25.482 1   25.388 ? 110 GLU   A O    1 ? 1 
ATOM   1458 C CB   . GLU   A 1 98  ? -3.858  -2.124  -27.228 1   31.51  ? 110 GLU   A CB   1 ? 1 
ATOM   1459 C CG   . GLU   A 1 98  ? -2.544  -1.364  -27.104 1   40.425 ? 110 GLU   A CG   1 ? 1 
ATOM   1460 C CD   . GLU   A 1 98  ? -1.286  -1.981  -27.762 1   46.916 ? 110 GLU   A CD   1 ? 1 
ATOM   1461 O OE1  . GLU   A 1 98  ? -1.367  -2.84   -28.675 1   42.767 ? 110 GLU   A OE1  1 ? 1 
ATOM   1462 O OE2  . GLU   A 1 98  ? -0.176  -1.546  -27.376 1   62.677 ? 110 GLU   A OE2  1 ? 1 
ATOM   1463 H H    . GLU   A 1 98  ? -2.312  -4.035  -27.249 1   29.535 ? 110 GLU   A H    1 c 1 
ATOM   1464 H HA   . GLU   A 1 98  ? -3.697  -2.851  -25.292 1   29.309 ? 110 GLU   A HA   1 c 1 
ATOM   1465 H HB2  . GLU   A 1 98  ? -3.951  -2.511  -28.123 1   32.595 ? 110 GLU   A HB2  1 c 1 
ATOM   1466 H HB3  . GLU   A 1 98  ? -4.617  -1.523  -27.074 1   33.19  ? 110 GLU   A HB3  1 c 1 
ATOM   1467 H HG2  . GLU   A 1 98  ? -2.669  -0.469  -27.483 1   41.248 ? 110 GLU   A HG2  1 c 1 
ATOM   1468 H HG3  . GLU   A 1 98  ? -2.35   -1.235  -26.151 1   39.811 ? 110 GLU   A HG3  1 c 1 
ATOM   1469 N N    . TYR   A 1 99  ? -5.454  -5.023  -26.868 1   24.547 ? 111 TYR   A N    1 ? 1 
ATOM   1470 C CA   . TYR   A 1 99  ? -6.697  -5.766  -26.904 1   22.788 ? 111 TYR   A CA   1 ? 1 
ATOM   1471 C C    . TYR   A 1 99  ? -6.601  -7.081  -26.09  1   21.697 ? 111 TYR   A C    1 ? 1 
ATOM   1472 O O    . TYR   A 1 99  ? -7.534  -7.88   -26.106 1   23.935 ? 111 TYR   A O    1 ? 1 
ATOM   1473 C CB   . TYR   A 1 99  ? -7.084  -6.018  -28.338 1   23.92  ? 111 TYR   A CB   1 ? 1 
ATOM   1474 C CG   . TYR   A 1 99  ? -7.375  -4.758  -29.141 1   24.007 ? 111 TYR   A CG   1 ? 1 
ATOM   1475 C CD1  . TYR   A 1 99  ? -6.383  -3.99   -29.738 1   24.271 ? 111 TYR   A CD1  1 ? 1 
ATOM   1476 C CD2  . TYR   A 1 99  ? -8.698  -4.334  -29.295 1   26.751 ? 111 TYR   A CD2  1 ? 1 
ATOM   1477 C CE1  . TYR   A 1 99  ? -6.705  -2.832  -30.426 1   28.537 ? 111 TYR   A CE1  1 ? 1 
ATOM   1478 C CE2  . TYR   A 1 99  ? -9.035  -3.198  -29.989 1   28.504 ? 111 TYR   A CE2  1 ? 1 
ATOM   1479 C CZ   . TYR   A 1 99  ? -8.025  -2.421  -30.54  1   29.507 ? 111 TYR   A CZ   1 ? 1 
ATOM   1480 O OH   . TYR   A 1 99  ? -8.321  -1.283  -31.224 1   30.643 ? 111 TYR   A OH   1 ? 1 
ATOM   1481 H H    . TYR   A 1 99  ? -4.767  -5.321  -27.392 1   24.658 ? 111 TYR   A H    1 c 1 
ATOM   1482 H HA   . TYR   A 1 99  ? -7.404  -5.204  -26.494 1   23.342 ? 111 TYR   A HA   1 c 1 
ATOM   1483 H HB2  . TYR   A 1 99  ? -6.354  -6.51   -28.775 1   23.506 ? 111 TYR   A HB2  1 c 1 
ATOM   1484 H HB3  . TYR   A 1 99  ? -7.882  -6.592  -28.35  1   22.795 ? 111 TYR   A HB3  1 c 1 
ATOM   1485 H HD1  . TYR   A 1 99  ? -5.478  -4.238  -29.642 1   25.311 ? 111 TYR   A HD1  1 c 1 
ATOM   1486 H HD2  . TYR   A 1 99  ? -9.386  -4.843  -28.897 1   25.356 ? 111 TYR   A HD2  1 c 1 
ATOM   1487 H HE1  . TYR   A 1 99  ? -6.021  -2.311  -30.81  1   29.329 ? 111 TYR   A HE1  1 c 1 
ATOM   1488 H HE2  . TYR   A 1 99  ? -9.935  -2.928  -30.056 1   28.469 ? 111 TYR   A HE2  1 c 1 
ATOM   1489 H HH   . TYR   A 1 99  ? -7.577  -0.937  -31.533 0   30     ? 111 TYR   A HH   1 c 1 
ATOM   1490 N N    . ALA   A 1 100 ? -5.572  -7.203  -25.25  1   23.425 ? 112 ALA   A N    1 ? 1 
ATOM   1491 C CA   . ALA   A 1 100 ? -5.392  -8.376  -24.417 1   23.382 ? 112 ALA   A CA   1 ? 1 
ATOM   1492 C C    . ALA   A 1 100 ? -5.11   -7.907  -22.993 1   22.124 ? 112 ALA   A C    1 ? 1 
ATOM   1493 O O    . ALA   A 1 100 ? -6.06   -7.449  -22.36  1   25.578 ? 112 ALA   A O    1 ? 1 
ATOM   1494 C CB   . ALA   A 1 100 ? -4.366  -9.266  -25.022 1   23.616 ? 112 ALA   A CB   1 ? 1 
ATOM   1495 H H    . ALA   A 1 100 ? -4.96   -6.529  -25.189 1   23.853 ? 112 ALA   A H    1 c 1 
ATOM   1496 H HA   . ALA   A 1 100 ? -6.255  -8.87   -24.398 1   22.48  ? 112 ALA   A HA   1 c 1 
ATOM   1497 H HB1  . ALA   A 1 100 ? -4.743  -9.723  -25.793 1   23.281 ? 112 ALA   A HB1  1 c 1 
ATOM   1498 H HB2  . ALA   A 1 100 ? -3.6    -8.739  -25.305 1   24.141 ? 112 ALA   A HB2  1 c 1 
ATOM   1499 H HB3  . ALA   A 1 100 ? -4.078  -9.926  -24.369 1   23.53  ? 112 ALA   A HB3  1 c 1 
ATOM   1500 N N    . TYR   A 1 101 ? -3.833  -7.932  -22.548 1   23.208 ? 113 TYR   A N    1 ? 1 
ATOM   1501 C CA   . TYR   A 1 101 ? -3.508  -7.624  -21.166 1   22.187 ? 113 TYR   A CA   1 ? 1 
ATOM   1502 C C    . TYR   A 1 101 ? -2.702  -6.317  -21.007 1   27.843 ? 113 TYR   A C    1 ? 1 
ATOM   1503 O O    . TYR   A 1 101 ? -2.272  -5.946  -19.928 1   25.455 ? 113 TYR   A O    1 ? 1 
ATOM   1504 C CB   . TYR   A 1 101 ? -2.857  -8.823  -20.485 1   24.574 ? 113 TYR   A CB   1 ? 1 
ATOM   1505 C CG   . TYR   A 1 101 ? -3.801  -10.012 -20.369 1   23.459 ? 113 TYR   A CG   1 ? 1 
ATOM   1506 C CD1  . TYR   A 1 101 ? -4.856  -9.993  -19.468 1   24.048 ? 113 TYR   A CD1  1 ? 1 
ATOM   1507 C CD2  . TYR   A 1 101 ? -3.796  -11.006 -21.36  1   23.84  ? 113 TYR   A CD2  1 ? 1 
ATOM   1508 C CE1  . TYR   A 1 101 ? -5.776  -11.024 -19.419 1   24.043 ? 113 TYR   A CE1  1 ? 1 
ATOM   1509 C CE2  . TYR   A 1 101 ? -4.698  -12.072 -21.3   1   21.808 ? 113 TYR   A CE2  1 ? 1 
ATOM   1510 C CZ   . TYR   A 1 101 ? -5.731  -12.04  -20.361 1   23.192 ? 113 TYR   A CZ   1 ? 1 
ATOM   1511 O OH   . TYR   A 1 101 ? -6.604  -13.076 -20.316 1   21.445 ? 113 TYR   A OH   1 ? 1 
ATOM   1512 H H    . TYR   A 1 101 ? -3.156  -8.148  -23.122 1   22.81  ? 113 TYR   A H    1 c 1 
ATOM   1513 H HA   . TYR   A 1 101 ? -4.371  -7.475  -20.699 1   23.72  ? 113 TYR   A HA   1 c 1 
ATOM   1514 H HB2  . TYR   A 1 101 ? -2.065  -9.089  -21     1   24.066 ? 113 TYR   A HB2  1 c 1 
ATOM   1515 H HB3  . TYR   A 1 101 ? -2.566  -8.556  -19.585 1   24.833 ? 113 TYR   A HB3  1 c 1 
ATOM   1516 H HD1  . TYR   A 1 101 ? -4.909  -9.297  -18.833 1   24.69  ? 113 TYR   A HD1  1 c 1 
ATOM   1517 H HD2  . TYR   A 1 101 ? -3.104  -11.02  -22.001 1   23.217 ? 113 TYR   A HD2  1 c 1 
ATOM   1518 H HE1  . TYR   A 1 101 ? -6.454  -11.021 -18.766 1   24.306 ? 113 TYR   A HE1  1 c 1 
ATOM   1519 H HE2  . TYR   A 1 101 ? -4.661  -12.762 -21.938 1   22.295 ? 113 TYR   A HE2  1 c 1 
ATOM   1520 H HH   . TYR   A 1 101 ? -7.166  -12.963 -19.671 0   30     ? 113 TYR   A HH   1 c 1 
ATOM   1521 N N    . GLY   A 1 102 ? -2.336  -5.674  -22.109 1   25.202 ? 114 GLY   A N    1 ? 1 
ATOM   1522 C CA   . GLY   A 1 102 ? -1.815  -4.314  -22.036 1   31.025 ? 114 GLY   A CA   1 ? 1 
ATOM   1523 C C    . GLY   A 1 102 ? -0.388  -4.234  -21.482 1   30.231 ? 114 GLY   A C    1 ? 1 
ATOM   1524 O O    . GLY   A 1 102 ? 0.389   -5.217  -21.406 1   28.925 ? 114 GLY   A O    1 ? 1 
ATOM   1525 H H    . GLY   A 1 102 ? -2.401  -6.081  -22.924 1   26.065 ? 114 GLY   A H    1 c 1 
ATOM   1526 H HA2  . GLY   A 1 102 ? -1.832  -3.921  -22.94  1   29.581 ? 114 GLY   A HA2  1 c 1 
ATOM   1527 H HA3  . GLY   A 1 102 ? -2.414  -3.775  -21.467 1   29.841 ? 114 GLY   A HA3  1 c 1 
ATOM   1528 N N    . SER   A 1 103 ? -0.062  -3.034  -20.999 1   32.07  ? 115 SER   A N    1 ? 1 
ATOM   1529 C CA   . SER   A 1 103 ? 1.29    -2.807  -20.508 1   31.361 ? 115 SER   A CA   1 ? 1 
ATOM   1530 C C    . SER   A 1 103 ? 1.404   -3.448  -19.135 1   30.106 ? 115 SER   A C    1 ? 1 
ATOM   1531 O O    . SER   A 1 103 ? 2.476   -3.8    -18.738 1   31.327 ? 115 SER   A O    1 ? 1 
ATOM   1532 C CB   . SER   A 1 103 ? 1.706   -1.337  -20.477 1   36.198 ? 115 SER   A CB   1 ? 1 
ATOM   1533 O OG   . SER   A 1 103 ? 0.637   -0.72   -19.828 1   40.184 ? 115 SER   A OG   1 ? 1 
ATOM   1534 H H    . SER   A 1 103 ? -0.673  -2.355  -20.974 1   31.883 ? 115 SER   A H    1 c 1 
ATOM   1535 H HA   . SER   A 1 103 ? 1.913   -3.282  -21.111 1   31.725 ? 115 SER   A HA   1 c 1 
ATOM   1536 H HB2  . SER   A 1 103 ? 2.532   -1.223  -19.969 1   37.781 ? 115 SER   A HB2  1 c 1 
ATOM   1537 H HB3  . SER   A 1 103 ? 1.81    -0.99   -21.383 1   36.677 ? 115 SER   A HB3  1 c 1 
ATOM   1538 H HG   . SER   A 1 103 ? 0.87    0.177   -19.817 0   30     ? 115 SER   A HG   1 c 1 
ATOM   1539 N N    . ALA   A 1 104 ? 0.315   -3.573  -18.376 1   31.333 ? 116 ALA   A N    1 ? 1 
ATOM   1540 C CA   . ALA   A 1 104 ? 0.376   -4.117  -17.025 1   33.146 ? 116 ALA   A CA   1 ? 1 
ATOM   1541 C C    . ALA   A 1 104 ? 0.593   -5.621  -17.038 1   30.613 ? 116 ALA   A C    1 ? 1 
ATOM   1542 O O    . ALA   A 1 104 ? 1.245   -6.154  -16.148 1   31.484 ? 116 ALA   A O    1 ? 1 
ATOM   1543 C CB   . ALA   A 1 104 ? -0.926  -3.804  -16.296 1   34.072 ? 116 ALA   A CB   1 ? 1 
ATOM   1544 H H    . ALA   A 1 104 ? -0.494  -3.306  -18.704 1   30.545 ? 116 ALA   A H    1 c 1 
ATOM   1545 H HA   . ALA   A 1 104 ? 1.137   -3.69   -16.543 1   34.456 ? 116 ALA   A HA   1 c 1 
ATOM   1546 H HB1  . ALA   A 1 104 ? -1.05   -2.841  -16.246 1   34.961 ? 116 ALA   A HB1  1 c 1 
ATOM   1547 H HB2  . ALA   A 1 104 ? -1.673  -4.199  -16.776 1   32.362 ? 116 ALA   A HB2  1 c 1 
ATOM   1548 H HB3  . ALA   A 1 104 ? -0.892  -4.17   -15.396 1   34.537 ? 116 ALA   A HB3  1 c 1 
ATOM   1549 N N    . GLY   A 1 105 ? 0.122   -6.269  -18.07  1   27.33  ? 117 GLY   A N    1 ? 1 
ATOM   1550 C CA   . GLY   A 1 105 ? 0.125   -7.715  -18.197 1   29.777 ? 117 GLY   A CA   1 ? 1 
ATOM   1551 C C    . GLY   A 1 105 ? -0.837  -8.317  -17.159 1   29.184 ? 117 GLY   A C    1 ? 1 
ATOM   1552 O O    . GLY   A 1 105 ? -1.809  -7.664  -16.718 1   29.075 ? 117 GLY   A O    1 ? 1 
ATOM   1553 H H    . GLY   A 1 105 ? -0.24   -5.785  -18.755 1   27.942 ? 117 GLY   A H    1 c 1 
ATOM   1554 H HA2  . GLY   A 1 105 ? -0.16   -7.967  -19.107 1   27.671 ? 117 GLY   A HA2  1 c 1 
ATOM   1555 H HA3  . GLY   A 1 105 ? 1.038   -8.057  -18.051 1   29.429 ? 117 GLY   A HA3  1 c 1 
ATOM   1556 N N    . SER   A 1 106 ? -0.572  -9.58   -16.833 1   29.532 ? 118 SER   A N    1 ? 1 
ATOM   1557 C CA   . SER   A 1 106 ? -1.341  -10.32  -15.842 1   26.925 ? 118 SER   A CA   1 ? 1 
ATOM   1558 C C    . SER   A 1 106 ? -0.385  -11.317 -15.196 1   28.013 ? 118 SER   A C    1 ? 1 
ATOM   1559 O O    . SER   A 1 106 ? -0.545  -12.513 -15.374 1   26.539 ? 118 SER   A O    1 ? 1 
ATOM   1560 C CB   . SER   A 1 106 ? -2.553  -10.963 -16.455 1   24.921 ? 118 SER   A CB   1 ? 1 
ATOM   1561 O OG   . SER   A 1 106 ? -3.345  -11.544 -15.414 1   29.404 ? 118 SER   A OG   1 ? 1 
ATOM   1562 H H    . SER   A 1 106 ? 0.121   -10.005 -17.251 1   28.629 ? 118 SER   A H    1 c 1 
ATOM   1563 H HA   . SER   A 1 106 ? -1.642  -9.684  -15.144 1   28.223 ? 118 SER   A HA   1 c 1 
ATOM   1564 H HB2  . SER   A 1 106 ? -3.076  -10.291 -16.932 1   25.144 ? 118 SER   A HB2  1 c 1 
ATOM   1565 H HB3  . SER   A 1 106 ? -2.278  -11.654 -17.087 1   25.223 ? 118 SER   A HB3  1 c 1 
ATOM   1566 H HG   . SER   A 1 106 ? -4.015  -11.928 -15.781 0   30     ? 118 SER   A HG   1 c 1 
ATOM   1567 N N    . LEU   A 1 107 ? 0.588   -10.77  -14.498 1   28.151 ? 119 LEU   A N    1 ? 1 
ATOM   1568 C CA   . LEU   A 1 107 ? 1.708   -11.533 -13.978 1   30.356 ? 119 LEU   A CA   1 ? 1 
ATOM   1569 C C    . LEU   A 1 107 ? 1.244   -12.387 -12.828 1   32.02  ? 119 LEU   A C    1 ? 1 
ATOM   1570 O O    . LEU   A 1 107 ? 0.409   -11.938 -12.021 1   30.658 ? 119 LEU   A O    1 ? 1 
ATOM   1571 C CB   . LEU   A 1 107 ? 2.817   -10.614 -13.582 1   34.937 ? 119 LEU   A CB   1 ? 1 
ATOM   1572 C CG   . LEU   A 1 107 ? 3.686   -10.089 -14.731 1   36.024 ? 119 LEU   A CG   1 ? 1 
ATOM   1573 C CD1  . LEU   A 1 107 ? 4.648   -9.032  -14.133 1   44.328 ? 119 LEU   A CD1  1 ? 1 
ATOM   1574 C CD2  . LEU   A 1 107 ? 4.458   -11.239 -15.36  1   35.757 ? 119 LEU   A CD2  1 ? 1 
ATOM   1575 H H    . LEU   A 1 107 ? 0.559   -9.871  -14.332 1   29.128 ? 119 LEU   A H    1 c 1 
ATOM   1576 H HA   . LEU   A 1 107 ? 2.024   -12.128 -14.7   1   30.072 ? 119 LEU   A HA   1 c 1 
ATOM   1577 H HB2  . LEU   A 1 107 ? 2.426   -9.843  -13.11  1   35.088 ? 119 LEU   A HB2  1 c 1 
ATOM   1578 H HB3  . LEU   A 1 107 ? 3.399   -11.088 -12.944 1   35.948 ? 119 LEU   A HB3  1 c 1 
ATOM   1579 H HG   . LEU   A 1 107 ? 3.104   -9.664  -15.413 1   35.348 ? 119 LEU   A HG   1 c 1 
ATOM   1580 H HD11 . LEU   A 1 107 ? 4.144   -8.243  -13.874 1   42.546 ? 119 LEU   A HD11 1 c 1 
ATOM   1581 H HD12 . LEU   A 1 107 ? 5.313   -8.785  -14.798 1   42.364 ? 119 LEU   A HD12 1 c 1 
ATOM   1582 H HD13 . LEU   A 1 107 ? 5.093   -9.402  -13.353 1   43.759 ? 119 LEU   A HD13 1 c 1 
ATOM   1583 H HD21 . LEU   A 1 107 ? 3.855   -11.79  -15.886 1   34.4   ? 119 LEU   A HD21 1 c 1 
ATOM   1584 H HD22 . LEU   A 1 107 ? 4.864   -11.779 -14.662 1   36.964 ? 119 LEU   A HD22 1 c 1 
ATOM   1585 H HD23 . LEU   A 1 107 ? 5.155   -10.884 -15.938 1   35.979 ? 119 LEU   A HD23 1 c 1 
ATOM   1586 N N    . PRO   A 1 108 ? 1.852   -13.568 -12.592 1   33.322 ? 120 PRO   A N    1 ? 1 
ATOM   1587 C CA   . PRO   A 1 108 ? 3.004   -14.052 -13.331 1   32.824 ? 120 PRO   A CA   1 ? 1 
ATOM   1588 C C    . PRO   A 1 108 ? 2.697   -14.805 -14.61  1   31.389 ? 120 PRO   A C    1 ? 1 
ATOM   1589 O O    . PRO   A 1 108 ? 3.602   -15.056 -15.369 1   32.301 ? 120 PRO   A O    1 ? 1 
ATOM   1590 C CB   . PRO   A 1 108 ? 3.644   -15.054 -12.378 1   35.092 ? 120 PRO   A CB   1 ? 1 
ATOM   1591 C CG   . PRO   A 1 108 ? 2.493   -15.494 -11.485 1   34.748 ? 120 PRO   A CG   1 ? 1 
ATOM   1592 C CD   . PRO   A 1 108 ? 1.634   -14.333 -11.355 1   34.33  ? 120 PRO   A CD   1 ? 1 
ATOM   1593 H HA   . PRO   A 1 108 ? 3.623   -13.318 -13.512 1   33.156 ? 120 PRO   A HA   1 c 1 
ATOM   1594 H HB2  . PRO   A 1 108 ? 4.02    -15.814 -12.864 1   34.842 ? 120 PRO   A HB2  1 c 1 
ATOM   1595 H HB3  . PRO   A 1 108 ? 4.352   -14.633 -11.853 1   36.268 ? 120 PRO   A HB3  1 c 1 
ATOM   1596 H HG2  . PRO   A 1 108 ? 2.004   -16.238 -11.89  1   34.406 ? 120 PRO   A HG2  1 c 1 
ATOM   1597 H HG3  . PRO   A 1 108 ? 2.822   -15.776 -10.608 1   37.081 ? 120 PRO   A HG3  1 c 1 
ATOM   1598 H HD2  . PRO   A 1 108 ? 0.698   -14.598 -11.276 1   34.123 ? 120 PRO   A HD2  1 c 1 
ATOM   1599 H HD3  . PRO   A 1 108 ? 1.881   -13.801 -10.575 1   35.938 ? 120 PRO   A HD3  1 c 1 
ATOM   1600 N N    . LYS   A 1 109 ? 1.429   -14.972 -14.933 1   31.207 ? 121 LYS   A N    1 ? 1 
ATOM   1601 C CA   . LYS   A 1 109 ? 1.006   -15.769 -16.056 1   31.158 ? 121 LYS   A CA   1 ? 1 
ATOM   1602 C C    . LYS   A 1 109 ? 1.303   -15.053 -17.388 1   29.336 ? 121 LYS   A C    1 ? 1 
ATOM   1603 O O    . LYS   A 1 109 ? 1.851   -15.644 -18.304 1   30.855 ? 121 LYS   A O    1 ? 1 
ATOM   1604 C CB   . LYS   A 1 109 ? -0.476  -16.134 -15.982 1   31.996 ? 121 LYS   A CB   1 ? 1 
ATOM   1605 C CG   . LYS   A 1 109 ? -1.025  -17.029 -17.13  1   34.673 ? 121 LYS   A CG   1 ? 1 
ATOM   1606 C CD   . LYS   A 1 109 ? -2.329  -17.76  -16.779 1   37.926 ? 121 LYS   A CD   1 ? 1 
ATOM   1607 C CE   . LYS   A 1 109 ? -2.372  -18.689 -15.479 1   38.994 ? 121 LYS   A CE   1 ? 1 
ATOM   1608 H H    . LYS   A 1 109 ? 0.786   -14.567 -14.427 1   31.203 ? 121 LYS   A H    1 c 1 
ATOM   1609 H HA   . LYS   A 1 109 ? 1.524   -16.614 -16.04  1   32.018 ? 121 LYS   A HA   1 c 1 
ATOM   1610 H HB2  . LYS   A 1 109 ? -0.635  -16.592 -15.13  1   33.658 ? 121 LYS   A HB2  1 c 1 
ATOM   1611 H HB3  . LYS   A 1 109 ? -0.996  -15.303 -15.969 1   31.634 ? 121 LYS   A HB3  1 c 1 
ATOM   1612 H HG2  . LYS   A 1 109 ? -1.177  -16.466 -17.92  1   33.117 ? 121 LYS   A HG2  1 c 1 
ATOM   1613 H HG3  . LYS   A 1 109 ? -0.34   -17.693 -17.363 1   35.085 ? 121 LYS   A HG3  1 c 1 
ATOM   1614 H HD2  . LYS   A 1 109 ? -3.032  -17.08  -16.69  1   36.211 ? 121 LYS   A HD2  1 c 1 
ATOM   1615 H HD3  . LYS   A 1 109 ? -2.576  -18.308 -17.555 1   36.604 ? 121 LYS   A HD3  1 c 1 
ATOM   1616 H HE2  . LYS   A 1 109 ? -1.437  -18.85  -15.223 0   30     ? 121 LYS   A HE2  1 c 1 
ATOM   1617 H HE3  . LYS   A 1 109 ? -3.273  -18.826 -15.259 0   30     ? 121 LYS   A HE3  1 c 1 
ATOM   1618 N N    . ILE   A 1 110 ? 0.983   -13.775 -17.509 1   25.515 ? 122 ILE   A N    1 ? 1 
ATOM   1619 C CA   . ILE   A 1 110 ? 1.127   -13.08  -18.756 1   25.665 ? 122 ILE   A CA   1 ? 1 
ATOM   1620 C C    . ILE   A 1 110 ? 2.02    -11.858 -18.532 1   27.546 ? 122 ILE   A C    1 ? 1 
ATOM   1621 O O    . ILE   A 1 110 ? 1.747   -11.001 -17.709 1   29.641 ? 122 ILE   A O    1 ? 1 
ATOM   1622 C CB   . ILE   A 1 110 ? -0.231  -12.604 -19.305 1   27.193 ? 122 ILE   A CB   1 ? 1 
ATOM   1623 C CG1  . ILE   A 1 110 ? -1.355  -13.615 -19.331 1   29.889 ? 122 ILE   A CG1  1 ? 1 
ATOM   1624 C CG2  . ILE   A 1 110 ? -0.093  -11.894 -20.633 1   25.969 ? 122 ILE   A CG2  1 ? 1 
ATOM   1625 C CD1  . ILE   A 1 110 ? -1.155  -14.753 -20.259 1   32.111 ? 122 ILE   A CD1  1 ? 1 
ATOM   1626 H H    . ILE   A 1 110 ? 0.658   -13.321 -16.786 1   26.85  ? 122 ILE   A H    1 c 1 
ATOM   1627 H HA   . ILE   A 1 110 ? 1.542   -13.672 -19.41  1   26.176 ? 122 ILE   A HA   1 c 1 
ATOM   1628 H HB   . ILE   A 1 110 ? -0.53   -11.916 -18.678 1   27.249 ? 122 ILE   A HB   1 c 1 
ATOM   1629 H HG12 . ILE   A 1 110 ? -1.475  -13.969 -18.426 1   30.291 ? 122 ILE   A HG12 1 c 1 
ATOM   1630 H HG13 . ILE   A 1 110 ? -2.182  -13.153 -19.579 1   28.789 ? 122 ILE   A HG13 1 c 1 
ATOM   1631 H HG21 . ILE   A 1 110 ? -0.965  -11.821 -21.057 1   25.284 ? 122 ILE   A HG21 1 c 1 
ATOM   1632 H HG22 . ILE   A 1 110 ? 0.504   -12.399 -21.212 1   26.329 ? 122 ILE   A HG22 1 c 1 
ATOM   1633 H HG23 . ILE   A 1 110 ? 0.271   -11.004 -20.492 1   26.534 ? 122 ILE   A HG23 1 c 1 
ATOM   1634 H HD11 . ILE   A 1 110 ? -1.021  -14.426 -21.169 1   30.8   ? 122 ILE   A HD11 1 c 1 
ATOM   1635 H HD12 . ILE   A 1 110 ? -1.95   -15.317 -20.232 1   31.11  ? 122 ILE   A HD12 1 c 1 
ATOM   1636 H HD13 . ILE   A 1 110 ? -0.377  -15.274 -19.983 1   32.284 ? 122 ILE   A HD13 1 c 1 
ATOM   1637 N N    . PRO   A 1 111 ? 3.096   -11.695 -19.31  1   28.79  ? 123 PRO   A N    1 ? 1 
ATOM   1638 C CA   . PRO   A 1 111 ? 3.952   -10.523 -19.146 1   30.178 ? 123 PRO   A CA   1 ? 1 
ATOM   1639 C C    . PRO   A 1 111 ? 3.331   -9.277  -19.776 1   28.329 ? 123 PRO   A C    1 ? 1 
ATOM   1640 O O    . PRO   A 1 111 ? 2.368   -9.299  -20.48  1   31.475 ? 123 PRO   A O    1 ? 1 
ATOM   1641 C CB   . PRO   A 1 111 ? 5.258   -10.946 -19.779 1   34.423 ? 123 PRO   A CB   1 ? 1 
ATOM   1642 C CG   . PRO   A 1 111 ? 4.884   -11.973 -20.785 1   32.701 ? 123 PRO   A CG   1 ? 1 
ATOM   1643 C CD   . PRO   A 1 111 ? 3.576   -12.611 -20.352 1   31.714 ? 123 PRO   A CD   1 ? 1 
ATOM   1644 H HA   . PRO   A 1 111 ? 4.099   -10.362 -18.19  1   31.367 ? 123 PRO   A HA   1 c 1 
ATOM   1645 H HB2  . PRO   A 1 111 ? 5.699   -10.187 -20.206 1   34.033 ? 123 PRO   A HB2  1 c 1 
ATOM   1646 H HB3  . PRO   A 1 111 ? 5.862   -11.322 -19.108 1   34.629 ? 123 PRO   A HB3  1 c 1 
ATOM   1647 H HG2  . PRO   A 1 111 ? 4.779   -11.561 -21.665 1   32.504 ? 123 PRO   A HG2  1 c 1 
ATOM   1648 H HG3  . PRO   A 1 111 ? 5.583   -12.655 -20.848 1   33.795 ? 123 PRO   A HG3  1 c 1 
ATOM   1649 H HD2  . PRO   A 1 111 ? 2.94    -12.66  -21.092 1   29.858 ? 123 PRO   A HD2  1 c 1 
ATOM   1650 H HD3  . PRO   A 1 111 ? 3.721   -13.506 -19.988 1   31.329 ? 123 PRO   A HD3  1 c 1 
ATOM   1651 N N    . SER   A 1 112 ? 3.955   -8.171  -19.443 1   32.167 ? 124 SER   A N    1 ? 1 
ATOM   1652 C CA   . SER   A 1 112 ? 3.69    -6.879  -20.006 1   32.486 ? 124 SER   A CA   1 ? 1 
ATOM   1653 C C    . SER   A 1 112 ? 3.866   -6.934  -21.528 1   30.93  ? 124 SER   A C    1 ? 1 
ATOM   1654 O O    . SER   A 1 112 ? 4.755   -7.582  -22.048 1   30.398 ? 124 SER   A O    1 ? 1 
ATOM   1655 C CB   . SER   A 1 112 ? 4.676   -5.961  -19.318 1   40.623 ? 124 SER   A CB   1 ? 1 
ATOM   1656 O OG   . SER   A 1 112 ? 4.458   -4.664  -19.797 1   45.04  ? 124 SER   A OG   1 ? 1 
ATOM   1657 H H    . SER   A 1 112 ? 4.607   -8.23   -18.806 1   32.874 ? 124 SER   A H    1 c 1 
ATOM   1658 H HA   . SER   A 1 112 ? 2.764   -6.606  -19.782 1   32.436 ? 124 SER   A HA   1 c 1 
ATOM   1659 H HB2  . SER   A 1 112 ? 4.538   -5.987  -18.352 1   40.372 ? 124 SER   A HB2  1 c 1 
ATOM   1660 H HB3  . SER   A 1 112 ? 5.589   -6.242  -19.519 1   40.72  ? 124 SER   A HB3  1 c 1 
ATOM   1661 H HG   . SER   A 1 112 ? 5.019   -4.074  -19.506 0   30     ? 124 SER   A HG   1 c 1 
ATOM   1662 N N    . ASN   A 1 113 ? 3       -6.252  -22.235 1   27.524 ? 125 ASN   A N    1 ? 1 
ATOM   1663 C CA   . ASN   A 1 113 ? 3.122   -6.027  -23.642 1   28.46  ? 125 ASN   A CA   1 ? 1 
ATOM   1664 C C    . ASN   A 1 113 ? 3.095   -7.349  -24.425 1   28.77  ? 125 ASN   A C    1 ? 1 
ATOM   1665 O O    . ASN   A 1 113 ? 3.832   -7.461  -25.419 1   30.549 ? 125 ASN   A O    1 ? 1 
ATOM   1666 C CB   . ASN   A 1 113 ? 4.293   -5.1    -23.857 1   32.512 ? 125 ASN   A CB   1 ? 1 
ATOM   1667 C CG   . ASN   A 1 113 ? 4.019   -3.752  -23.223 1   32.12  ? 125 ASN   A CG   1 ? 1 
ATOM   1668 O OD1  . ASN   A 1 113 ? 2.91    -3.207  -23.333 1   34.537 ? 125 ASN   A OD1  1 ? 1 
ATOM   1669 N ND2  . ASN   A 1 113 ? 5.027   -3.202  -22.591 1   33.839 ? 125 ASN   A ND2  1 ? 1 
ATOM   1670 H H    . ASN   A 1 113 ? 2.273   -5.899  -21.807 1   27.974 ? 125 ASN   A H    1 c 1 
ATOM   1671 H HA   . ASN   A 1 113 ? 2.32    -5.528  -23.92  1   28.384 ? 125 ASN   A HA   1 c 1 
ATOM   1672 H HB2  . ASN   A 1 113 ? 5.099   -5.489  -23.466 1   32.453 ? 125 ASN   A HB2  1 c 1 
ATOM   1673 H HB3  . ASN   A 1 113 ? 4.443   -4.982  -24.817 1   32.125 ? 125 ASN   A HB3  1 c 1 
ATOM   1674 H HD21 . ASN   A 1 113 ? 4.874   -2.644  -21.918 1   34.639 ? 125 ASN   A HD21 1 c 1 
ATOM   1675 H HD22 . ASN   A 1 113 ? 5.86    -3.384  -22.837 1   34.902 ? 125 ASN   A HD22 1 c 1 
ATOM   1676 N N    . ALA   A 1 114 ? 2.281   -8.323  -23.968 1   25.898 ? 126 ALA   A N    1 ? 1 
ATOM   1677 C CA   . ALA   A 1 114 ? 2.231   -9.626  -24.594 1   26.458 ? 126 ALA   A CA   1 ? 1 
ATOM   1678 C C    . ALA   A 1 114 ? 1.286   -9.646  -25.807 1   25.851 ? 126 ALA   A C    1 ? 1 
ATOM   1679 O O    . ALA   A 1 114 ? 0.214   -9.103  -25.755 1   26.745 ? 126 ALA   A O    1 ? 1 
ATOM   1680 C CB   . ALA   A 1 114 ? 1.88    -10.681 -23.648 1   26.054 ? 126 ALA   A CB   1 ? 1 
ATOM   1681 H H    . ALA   A 1 114 ? 1.74    -8.158  -23.249 1   26.035 ? 126 ALA   A H    1 c 1 
ATOM   1682 H HA   . ALA   A 1 114 ? 3.147   -9.821  -24.934 1   27.321 ? 126 ALA   A HA   1 c 1 
ATOM   1683 H HB1  . ALA   A 1 114 ? 2.509   -10.679 -22.907 1   26.738 ? 126 ALA   A HB1  1 c 1 
ATOM   1684 H HB2  . ALA   A 1 114 ? 0.983   -10.53  -23.307 1   25.166 ? 126 ALA   A HB2  1 c 1 
ATOM   1685 H HB3  . ALA   A 1 114 ? 1.912   -11.544 -24.094 1   25.884 ? 126 ALA   A HB3  1 c 1 
ATOM   1686 N N    . THR   A 1 115 ? 1.779   -10.239 -26.933 1   25.368 ? 127 THR   A N    1 ? 1 
ATOM   1687 C CA   . THR   A 1 115 ? 0.929   -10.563 -28.086 1   26.654 ? 127 THR   A CA   1 ? 1 
ATOM   1688 C C    . THR   A 1 115 ? 0.453   -12.014 -27.912 1   26.172 ? 127 THR   A C    1 ? 1 
ATOM   1689 O O    . THR   A 1 115 ? 1.27    -12.871 -27.538 1   27.012 ? 127 THR   A O    1 ? 1 
ATOM   1690 C CB   . THR   A 1 115 ? 1.724   -10.461 -29.394 1   28.424 ? 127 THR   A CB   1 ? 1 
ATOM   1691 O OG1  . THR   A 1 115 ? 2.093   -9.098  -29.489 1   28.794 ? 127 THR   A OG1  1 ? 1 
ATOM   1692 C CG2  . THR   A 1 115 ? 0.866   -10.804 -30.59  1   30.922 ? 127 THR   A CG2  1 ? 1 
ATOM   1693 H H    . THR   A 1 115 ? 2.669   -10.442 -26.977 1   26.997 ? 127 THR   A H    1 c 1 
ATOM   1694 H HA   . THR   A 1 115 ? 0.162   -9.955  -28.114 1   25.774 ? 127 THR   A HA   1 c 1 
ATOM   1695 H HB   . THR   A 1 115 ? 2.53    -11.029 -29.364 1   29.622 ? 127 THR   A HB   1 c 1 
ATOM   1696 H HG1  . THR   A 1 115 ? 1.38    -8.596  -29.516 0   30     ? 127 THR   A HG1  1 c 1 
ATOM   1697 H HG21 . THR   A 1 115 ? 1.412   -10.789 -31.394 1   31.458 ? 127 THR   A HG21 1 c 1 
ATOM   1698 H HG22 . THR   A 1 115 ? 0.152   -10.152 -30.675 1   29.583 ? 127 THR   A HG22 1 c 1 
ATOM   1699 H HG23 . THR   A 1 115 ? 0.484   -11.69  -30.477 1   29.536 ? 127 THR   A HG23 1 c 1 
ATOM   1700 N N    . LEU   A 1 116 ? -0.861  -12.22  -28.125 1   25.346 ? 128 LEU   A N    1 ? 1 
ATOM   1701 C CA   . LEU   A 1 116 ? -1.506  -13.513 -27.922 1   24.876 ? 128 LEU   A CA   1 ? 1 
ATOM   1702 C C    . LEU   A 1 116 ? -1.99   -14.057 -29.26  1   27.042 ? 128 LEU   A C    1 ? 1 
ATOM   1703 O O    . LEU   A 1 116 ? -2.445  -13.271 -30.141 1   26.116 ? 128 LEU   A O    1 ? 1 
ATOM   1704 C CB   . LEU   A 1 116 ? -2.697  -13.495 -26.973 1   23.201 ? 128 LEU   A CB   1 ? 1 
ATOM   1705 C CG   . LEU   A 1 116 ? -2.527  -12.917 -25.574 1   29.741 ? 128 LEU   A CG   1 ? 1 
ATOM   1706 C CD1  . LEU   A 1 116 ? -3.469  -13.648 -24.585 1   29.633 ? 128 LEU   A CD1  1 ? 1 
ATOM   1707 C CD2  . LEU   A 1 116 ? -1.317  -12.73  -24.993 1   28.542 ? 128 LEU   A CD2  1 ? 1 
ATOM   1708 H H    . LEU   A 1 116 ? -1.375  -11.521 -28.412 1   24.978 ? 128 LEU   A H    1 c 1 
ATOM   1709 H HA   . LEU   A 1 116 ? -0.827  -14.139 -27.564 1   25.633 ? 128 LEU   A HA   1 c 1 
ATOM   1710 H HB2  . LEU   A 1 116 ? -3.425  -13.001 -27.416 1   24.292 ? 128 LEU   A HB2  1 c 1 
ATOM   1711 H HB3  . LEU   A 1 116 ? -3.019  -14.421 -26.881 1   24.809 ? 128 LEU   A HB3  1 c 1 
ATOM   1712 H HG   . LEU   A 1 116 ? -2.9    -11.999 -25.63  1   27.611 ? 128 LEU   A HG   1 c 1 
ATOM   1713 H HD11 . LEU   A 1 116 ? -4.378  -13.631 -24.93  1   29.065 ? 128 LEU   A HD11 1 c 1 
ATOM   1714 H HD12 . LEU   A 1 116 ? -3.445  -13.205 -23.722 1   29.433 ? 128 LEU   A HD12 1 c 1 
ATOM   1715 H HD13 . LEU   A 1 116 ? -3.181  -14.57  -24.483 1   29.941 ? 128 LEU   A HD13 1 c 1 
ATOM   1716 H HD21 . LEU   A 1 116 ? -0.833  -12.035 -25.467 1   29.419 ? 128 LEU   A HD21 1 c 1 
ATOM   1717 H HD22 . LEU   A 1 116 ? -0.81   -13.558 -25.029 1   29.677 ? 128 LEU   A HD22 1 c 1 
ATOM   1718 H HD23 . LEU   A 1 116 ? -1.435  -12.463 -24.066 1   29.038 ? 128 LEU   A HD23 1 c 1 
ATOM   1719 N N    . PHE   A 1 117 ? -1.99   -15.414 -29.338 1   24.959 ? 129 PHE   A N    1 ? 1 
ATOM   1720 C CA   . PHE   A 1 117 ? -2.635  -16.138 -30.443 1   25.33  ? 129 PHE   A CA   1 ? 1 
ATOM   1721 C C    . PHE   A 1 117 ? -3.683  -17.125 -29.943 1   27.545 ? 129 PHE   A C    1 ? 1 
ATOM   1722 O O    . PHE   A 1 117 ? -3.467  -17.813 -28.924 1   27.453 ? 129 PHE   A O    1 ? 1 
ATOM   1723 C CB   . PHE   A 1 117 ? -1.527  -16.844 -31.205 1   26.428 ? 129 PHE   A CB   1 ? 1 
ATOM   1724 C CG   . PHE   A 1 117 ? -2.069  -17.732 -32.302 1   29.311 ? 129 PHE   A CG   1 ? 1 
ATOM   1725 C CD1  . PHE   A 1 117 ? -2.409  -19.056 -32.018 1   32.664 ? 129 PHE   A CD1  1 ? 1 
ATOM   1726 C CD2  . PHE   A 1 117 ? -2.204  -17.247 -33.601 1   31.439 ? 129 PHE   A CD2  1 ? 1 
ATOM   1727 C CE1  . PHE   A 1 117 ? -2.944  -19.848 -33.03  1   35.722 ? 129 PHE   A CE1  1 ? 1 
ATOM   1728 C CE2  . PHE   A 1 117 ? -2.709  -18.051 -34.595 1   31.584 ? 129 PHE   A CE2  1 ? 1 
ATOM   1729 C CZ   . PHE   A 1 117 ? -3.066  -19.345 -34.323 1   33.469 ? 129 PHE   A CZ   1 ? 1 
ATOM   1730 H H    . PHE   A 1 117 ? -1.576  -15.897 -28.683 1   25.676 ? 129 PHE   A H    1 c 1 
ATOM   1731 H HA   . PHE   A 1 117 ? -3.069  -15.482 -31.045 1   25.537 ? 129 PHE   A HA   1 c 1 
ATOM   1732 H HB2  . PHE   A 1 117 ? -0.932  -16.169 -31.599 1   27.356 ? 129 PHE   A HB2  1 c 1 
ATOM   1733 H HB3  . PHE   A 1 117 ? -1.006  -17.39  -30.574 1   27.24  ? 129 PHE   A HB3  1 c 1 
ATOM   1734 H HD1  . PHE   A 1 117 ? -2.335  -19.39  -31.138 1   31.869 ? 129 PHE   A HD1  1 c 1 
ATOM   1735 H HD2  . PHE   A 1 117 ? -1.965  -16.354 -33.794 1   30.618 ? 129 PHE   A HD2  1 c 1 
ATOM   1736 H HE1  . PHE   A 1 117 ? -3.179  -20.742 -32.85  1   35.272 ? 129 PHE   A HE1  1 c 1 
ATOM   1737 H HE2  . PHE   A 1 117 ? -2.802  -17.712 -35.471 1   33.084 ? 129 PHE   A HE2  1 c 1 
ATOM   1738 H HZ   . PHE   A 1 117 ? -3.408  -19.894 -35.01  1   35.172 ? 129 PHE   A HZ   1 c 1 
ATOM   1739 N N    . PHE   A 1 118 ? -4.847  -17.168 -30.581 1   25.587 ? 130 PHE   A N    1 ? 1 
ATOM   1740 C CA   . PHE   A 1 118 ? -5.797  -18.22  -30.313 1   26.205 ? 130 PHE   A CA   1 ? 1 
ATOM   1741 C C    . PHE   A 1 118 ? -6.279  -18.929 -31.594 1   30.032 ? 130 PHE   A C    1 ? 1 
ATOM   1742 O O    . PHE   A 1 118 ? -6.501  -18.268 -32.623 1   29.21  ? 130 PHE   A O    1 ? 1 
ATOM   1743 C CB   . PHE   A 1 118 ? -7.011  -17.6   -29.674 1   26.22  ? 130 PHE   A CB   1 ? 1 
ATOM   1744 C CG   . PHE   A 1 118 ? -6.827  -17.048 -28.269 1   22.64  ? 130 PHE   A CG   1 ? 1 
ATOM   1745 C CD1  . PHE   A 1 118 ? -6.391  -15.729 -28.098 1   24.67  ? 130 PHE   A CD1  1 ? 1 
ATOM   1746 C CD2  . PHE   A 1 118 ? -7.025  -17.86  -27.153 1   25.843 ? 130 PHE   A CD2  1 ? 1 
ATOM   1747 C CE1  . PHE   A 1 118 ? -6.209  -15.205 -26.832 1   22.88  ? 130 PHE   A CE1  1 ? 1 
ATOM   1748 C CE2  . PHE   A 1 118 ? -6.902  -17.314 -25.876 1   23.637 ? 130 PHE   A CE2  1 ? 1 
ATOM   1749 C CZ   . PHE   A 1 118 ? -6.448  -16.029 -25.716 1   23.132 ? 130 PHE   A CZ   1 ? 1 
ATOM   1750 H H    . PHE   A 1 118 ? -5.055  -16.526 -31.197 1   25.966 ? 130 PHE   A H    1 c 1 
ATOM   1751 H HA   . PHE   A 1 118 ? -5.398  -18.882 -29.693 1   27.23  ? 130 PHE   A HA   1 c 1 
ATOM   1752 H HB2  . PHE   A 1 118 ? -7.323  -16.871 -30.256 1   24.998 ? 130 PHE   A HB2  1 c 1 
ATOM   1753 H HB3  . PHE   A 1 118 ? -7.724  -18.276 -29.651 1   25.806 ? 130 PHE   A HB3  1 c 1 
ATOM   1754 H HD1  . PHE   A 1 118 ? -6.23   -15.192 -28.856 1   23.772 ? 130 PHE   A HD1  1 c 1 
ATOM   1755 H HD2  . PHE   A 1 118 ? -7.342  -18.742 -27.263 1   25.626 ? 130 PHE   A HD2  1 c 1 
ATOM   1756 H HE1  . PHE   A 1 118 ? -5.924  -14.312 -26.719 1   22.761 ? 130 PHE   A HE1  1 c 1 
ATOM   1757 H HE2  . PHE   A 1 118 ? -7.036  -17.862 -25.119 1   24.526 ? 130 PHE   A HE2  1 c 1 
ATOM   1758 H HZ   . PHE   A 1 118 ? -6.337  -15.679 -24.846 1   22.867 ? 130 PHE   A HZ   1 c 1 
ATOM   1759 N N    . GLU   A 1 119 ? -6.621  -20.202 -31.428 1   29.725 ? 131 GLU   A N    1 ? 1 
ATOM   1760 C CA   . GLU   A 1 119 ? -7.528  -20.909 -32.31  1   33.201 ? 131 GLU   A CA   1 ? 1 
ATOM   1761 C C    . GLU   A 1 119 ? -8.831  -21.117 -31.55  1   34.001 ? 131 GLU   A C    1 ? 1 
ATOM   1762 O O    . GLU   A 1 119 ? -8.834  -21.729 -30.47  1   36.556 ? 131 GLU   A O    1 ? 1 
ATOM   1763 C CB   . GLU   A 1 119 ? -6.829  -22.175 -32.804 1   30.923 ? 131 GLU   A CB   1 ? 1 
ATOM   1764 C CG   . GLU   A 1 119 ? -7.612  -23.028 -33.792 1   36.935 ? 131 GLU   A CG   1 ? 1 
ATOM   1765 C CD   . GLU   A 1 119 ? -6.833  -24.258 -34.237 1   36.515 ? 131 GLU   A CD   1 ? 1 
ATOM   1766 O OE1  . GLU   A 1 119 ? -5.96   -24.262 -35.163 1   37.798 ? 131 GLU   A OE1  1 ? 1 
ATOM   1767 O OE2  . GLU   A 1 119 ? -7.102  -25.317 -33.621 1   42.563 ? 131 GLU   A OE2  1 ? 1 
ATOM   1768 H H    . GLU   A 1 119 ? -6.264  -20.661 -30.722 1   30.631 ? 131 GLU   A H    1 c 1 
ATOM   1769 H HA   . GLU   A 1 119 ? -7.708  -20.335 -33.095 1   32.041 ? 131 GLU   A HA   1 c 1 
ATOM   1770 H HB2  . GLU   A 1 119 ? -5.984  -21.918 -33.228 1   33.046 ? 131 GLU   A HB2  1 c 1 
ATOM   1771 H HB3  . GLU   A 1 119 ? -6.611  -22.732 -32.027 1   32.906 ? 131 GLU   A HB3  1 c 1 
ATOM   1772 H HG2  . GLU   A 1 119 ? -8.451  -23.319 -33.375 1   35.17  ? 131 GLU   A HG2  1 c 1 
ATOM   1773 H HG3  . GLU   A 1 119 ? -7.834  -22.491 -34.581 1   35.223 ? 131 GLU   A HG3  1 c 1 
ATOM   1774 N N    . ILE   A 1 120 ? -9.948  -20.759 -32.229 1   32.46  ? 132 ILE   A N    1 ? 1 
ATOM   1775 C CA   . ILE   A 1 120 ? -11.252 -20.767 -31.593 1   30.197 ? 132 ILE   A CA   1 ? 1 
ATOM   1776 C C    . ILE   A 1 120 ? -12.25  -21.483 -32.469 1   32.488 ? 132 ILE   A C    1 ? 1 
ATOM   1777 O O    . ILE   A 1 120 ? -12.317 -21.164 -33.644 1   32.093 ? 132 ILE   A O    1 ? 1 
ATOM   1778 C CB   . ILE   A 1 120 ? -11.76  -19.345 -31.303 1   30.733 ? 132 ILE   A CB   1 ? 1 
ATOM   1779 C CG1  . ILE   A 1 120 ? -10.717 -18.547 -30.461 1   27.969 ? 132 ILE   A CG1  1 ? 1 
ATOM   1780 C CG2  . ILE   A 1 120 ? -13.145 -19.415 -30.627 1   31.184 ? 132 ILE   A CG2  1 ? 1 
ATOM   1781 C CD1  . ILE   A 1 120 ? -11.012 -17.084 -30.25  1   29.205 ? 132 ILE   A CD1  1 ? 1 
ATOM   1782 H H    . ILE   A 1 120 ? -9.885  -20.509 -33.107 1   32.858 ? 132 ILE   A H    1 c 1 
ATOM   1783 H HA   . ILE   A 1 120 ? -11.181 -21.245 -30.745 1   31.146 ? 132 ILE   A HA   1 c 1 
ATOM   1784 H HB   . ILE   A 1 120 ? -11.866 -18.885 -32.16  1   30.263 ? 132 ILE   A HB   1 c 1 
ATOM   1785 H HG12 . ILE   A 1 120 ? -10.64  -18.975 -29.584 1   28.789 ? 132 ILE   A HG12 1 c 1 
ATOM   1786 H HG13 . ILE   A 1 120 ? -9.846  -18.621 -30.899 1   29.142 ? 132 ILE   A HG13 1 c 1 
ATOM   1787 H HG21 . ILE   A 1 120 ? -13.362 -18.553 -30.236 1   29.925 ? 132 ILE   A HG21 1 c 1 
ATOM   1788 H HG22 . ILE   A 1 120 ? -13.132 -20.091 -29.928 1   31.513 ? 132 ILE   A HG22 1 c 1 
ATOM   1789 H HG23 . ILE   A 1 120 ? -13.82  -19.646 -31.287 1   32.005 ? 132 ILE   A HG23 1 c 1 
ATOM   1790 H HD11 . ILE   A 1 120 ? -11.157 -16.652 -31.113 1   28.573 ? 132 ILE   A HD11 1 c 1 
ATOM   1791 H HD12 . ILE   A 1 120 ? -10.255 -16.662 -29.8   1   27.678 ? 132 ILE   A HD12 1 c 1 
ATOM   1792 H HD13 . ILE   A 1 120 ? -11.811 -16.983 -29.699 1   28.101 ? 132 ILE   A HD13 1 c 1 
ATOM   1793 N N    . GLU   A 1 121 ? -12.987 -22.414 -31.844 1   33.775 ? 133 GLU   A N    1 ? 1 
ATOM   1794 C CA   . GLU   A 1 121 ? -14.142 -23.049 -32.453 1   37.085 ? 133 GLU   A CA   1 ? 1 
ATOM   1795 C C    . GLU   A 1 121 ? -15.404 -22.548 -31.771 1   34.772 ? 133 GLU   A C    1 ? 1 
ATOM   1796 O O    . GLU   A 1 121 ? -15.597 -22.755 -30.568 1   35.158 ? 133 GLU   A O    1 ? 1 
ATOM   1797 C CB   . GLU   A 1 121 ? -14.045 -24.572 -32.369 1   39.18  ? 133 GLU   A CB   1 ? 1 
ATOM   1798 C CG   . GLU   A 1 121 ? -15.18  -25.308 -33.078 1   42.623 ? 133 GLU   A CG   1 ? 1 
ATOM   1799 C CD   . GLU   A 1 121 ? -15.183 -26.821 -32.967 1   46.164 ? 133 GLU   A CD   1 ? 1 
ATOM   1800 O OE1  . GLU   A 1 121 ? -14.26  -27.348 -32.403 1   47.98  ? 133 GLU   A OE1  1 ? 1 
ATOM   1801 O OE2  . GLU   A 1 121 ? -16.099 -27.52  -33.39  1   49.031 ? 133 GLU   A OE2  1 ? 1 
ATOM   1802 H H    . GLU   A 1 121 ? -12.754 -22.665 -30.996 1   33.752 ? 133 GLU   A H    1 c 1 
ATOM   1803 H HA   . GLU   A 1 121 ? -14.171 -22.793 -33.408 1   36.855 ? 133 GLU   A HA   1 c 1 
ATOM   1804 H HB2  . GLU   A 1 121 ? -13.191 -24.856 -32.755 1   40.038 ? 133 GLU   A HB2  1 c 1 
ATOM   1805 H HB3  . GLU   A 1 121 ? -14.045 -24.834 -31.425 1   39.298 ? 133 GLU   A HB3  1 c 1 
ATOM   1806 H HG2  . GLU   A 1 121 ? -16.034 -24.978 -32.729 1   42.048 ? 133 GLU   A HG2  1 c 1 
ATOM   1807 H HG3  . GLU   A 1 121 ? -15.154 -25.074 -34.031 1   42.953 ? 133 GLU   A HG3  1 c 1 
ATOM   1808 N N    . LEU   A 1 122 ? -16.324 -21.996 -32.591 1   36.943 ? 134 LEU   A N    1 ? 1 
ATOM   1809 C CA   . LEU   A 1 122 ? -17.597 -21.528 -32.06  1   36.548 ? 134 LEU   A CA   1 ? 1 
ATOM   1810 C C    . LEU   A 1 122 ? -18.568 -22.696 -32.105 1   39.02  ? 134 LEU   A C    1 ? 1 
ATOM   1811 O O    . LEU   A 1 122 ? -18.972 -23.138 -33.167 1   43.594 ? 134 LEU   A O    1 ? 1 
ATOM   1812 C CB   . LEU   A 1 122 ? -18.157 -20.304 -32.784 1   34.38  ? 134 LEU   A CB   1 ? 1 
ATOM   1813 C CG   . LEU   A 1 122 ? -19.512 -19.764 -32.282 1   35.27  ? 134 LEU   A CG   1 ? 1 
ATOM   1814 C CD1  . LEU   A 1 122 ? -19.448 -19.529 -30.814 1   33.956 ? 134 LEU   A CD1  1 ? 1 
ATOM   1815 C CD2  . LEU   A 1 122 ? -19.876 -18.476 -33.012 1   34.3   ? 134 LEU   A CD2  1 ? 1 
ATOM   1816 H H    . LEU   A 1 122 ? -16.156 -21.913 -33.485 1   36.988 ? 134 LEU   A H    1 c 1 
ATOM   1817 H HA   . LEU   A 1 122 ? -17.453 -21.287 -31.11  1   35.158 ? 134 LEU   A HA   1 c 1 
ATOM   1818 H HB2  . LEU   A 1 122 ? -17.492 -19.58  -32.718 1   33.353 ? 134 LEU   A HB2  1 c 1 
ATOM   1819 H HB3  . LEU   A 1 122 ? -18.249 -20.53  -33.738 1   36.094 ? 134 LEU   A HB3  1 c 1 
ATOM   1820 H HG   . LEU   A 1 122 ? -20.212 -20.442 -32.466 1   36.791 ? 134 LEU   A HG   1 c 1 
ATOM   1821 H HD11 . LEU   A 1 122 ? -19.49  -20.379 -30.345 1   34.932 ? 134 LEU   A HD11 1 c 1 
ATOM   1822 H HD12 . LEU   A 1 122 ? -20.198 -18.975 -30.542 1   33.89  ? 134 LEU   A HD12 1 c 1 
ATOM   1823 H HD13 . LEU   A 1 122 ? -18.616 -19.078 -30.591 1   32.544 ? 134 LEU   A HD13 1 c 1 
ATOM   1824 H HD21 . LEU   A 1 122 ? -19.893 -18.638 -33.969 1   35.439 ? 134 LEU   A HD21 1 c 1 
ATOM   1825 H HD22 . LEU   A 1 122 ? -19.216 -17.791 -32.812 1   32.891 ? 134 LEU   A HD22 1 c 1 
ATOM   1826 H HD23 . LEU   A 1 122 ? -20.753 -18.173 -32.72  1   34.698 ? 134 LEU   A HD23 1 c 1 
ATOM   1827 N N    . LEU   A 1 123 ? -18.961 -23.199 -30.928 1   41.04  ? 135 LEU   A N    1 ? 1 
ATOM   1828 C CA   . LEU   A 1 123 ? -19.789 -24.404 -30.89  1   44.182 ? 135 LEU   A CA   1 ? 1 
ATOM   1829 C C    . LEU   A 1 123 ? -21.263 -24.03  -31.025 1   44.183 ? 135 LEU   A C    1 ? 1 
ATOM   1830 O O    . LEU   A 1 123 ? -22.04  -24.691 -31.702 1   46.634 ? 135 LEU   A O    1 ? 1 
ATOM   1831 C CB   . LEU   A 1 123 ? -19.505 -25.134 -29.584 1   45.203 ? 135 LEU   A CB   1 ? 1 
ATOM   1832 C CG   . LEU   A 1 123 ? -18.049 -25.528 -29.388 1   44.212 ? 135 LEU   A CG   1 ? 1 
ATOM   1833 C CD1  . LEU   A 1 123 ? -17.744 -26.097 -28.014 1   47.472 ? 135 LEU   A CD1  1 ? 1 
ATOM   1834 C CD2  . LEU   A 1 123 ? -17.687 -26.494 -30.476 1   45.469 ? 135 LEU   A CD2  1 ? 1 
ATOM   1835 H H    . LEU   A 1 123 ? -18.718 -22.794 -30.145 1   39.353 ? 135 LEU   A H    1 c 1 
ATOM   1836 H HA   . LEU   A 1 123 ? -19.54  -24.986 -31.652 1   45.416 ? 135 LEU   A HA   1 c 1 
ATOM   1837 H HB2  . LEU   A 1 123 ? -19.777 -24.553 -28.837 1   43.885 ? 135 LEU   A HB2  1 c 1 
ATOM   1838 H HB3  . LEU   A 1 123 ? -20.058 -25.949 -29.556 1   47.344 ? 135 LEU   A HB3  1 c 1 
ATOM   1839 H HG   . LEU   A 1 123 ? -17.492 -24.716 -29.507 1   42.39  ? 135 LEU   A HG   1 c 1 
ATOM   1840 H HD11 . LEU   A 1 123 ? -18.18  -25.553 -27.336 1   45.802 ? 135 LEU   A HD11 1 c 1 
ATOM   1841 H HD12 . LEU   A 1 123 ? -16.784 -26.091 -27.865 1   45.8   ? 135 LEU   A HD12 1 c 1 
ATOM   1842 H HD13 . LEU   A 1 123 ? -18.075 -27.009 -27.958 1   49.023 ? 135 LEU   A HD13 1 c 1 
ATOM   1843 H HD21 . LEU   A 1 123 ? -17.53  -26.01  -31.303 1   45.025 ? 135 LEU   A HD21 1 c 1 
ATOM   1844 H HD22 . LEU   A 1 123 ? -18.412 -27.128 -30.605 1   47.954 ? 135 LEU   A HD22 1 c 1 
ATOM   1845 H HD23 . LEU   A 1 123 ? -16.879 -26.975 -30.227 1   46.103 ? 135 LEU   A HD23 1 c 1 
ATOM   1846 N N    . ASP   A 1 124 ? -21.648 -22.952 -30.345 1   43.046 ? 136 ASP   A N    1 ? 1 
ATOM   1847 C CA   . ASP   A 1 124 ? -23.038 -22.596 -30.238 1   42.143 ? 136 ASP   A CA   1 ? 1 
ATOM   1848 C C    . ASP   A 1 124 ? -23.15  -21.225 -29.576 1   41.519 ? 136 ASP   A C    1 ? 1 
ATOM   1849 O O    . ASP   A 1 124 ? -22.254 -20.801 -28.853 1   40.396 ? 136 ASP   A O    1 ? 1 
ATOM   1850 C CB   . ASP   A 1 124 ? -23.83  -23.624 -29.435 1   43.848 ? 136 ASP   A CB   1 ? 1 
ATOM   1851 C CG   . ASP   A 1 124 ? -25.302 -23.743 -29.806 1   48.41  ? 136 ASP   A CG   1 ? 1 
ATOM   1852 O OD1  . ASP   A 1 124 ? -25.762 -22.971 -30.664 1   47.447 ? 136 ASP   A OD1  1 ? 1 
ATOM   1853 O OD2  . ASP   A 1 124 ? -25.951 -24.692 -29.313 1   58.398 ? 136 ASP   A OD2  1 ? 1 
ATOM   1854 H H    . ASP   A 1 124 ? -21.024 -22.429 -29.93  1   40.616 ? 136 ASP   A H    1 c 1 
ATOM   1855 H HA   . ASP   A 1 124 ? -23.412 -22.54  -31.146 1   43.419 ? 136 ASP   A HA   1 c 1 
ATOM   1856 H HB2  . ASP   A 1 124 ? -23.423 -24.509 -29.539 1   45.772 ? 136 ASP   A HB2  1 c 1 
ATOM   1857 H HB3  . ASP   A 1 124 ? -23.778 -23.388 -28.485 1   43.864 ? 136 ASP   A HB3  1 c 1 
ATOM   1858 N N    . PHE   A 1 125 ? -24.272 -20.535 -29.827 1   41.817 ? 137 PHE   A N    1 ? 1 
ATOM   1859 C CA   . PHE   A 1 125 ? -24.665 -19.41  -29.005 1   39.162 ? 137 PHE   A CA   1 ? 1 
ATOM   1860 C C    . PHE   A 1 125 ? -26.177 -19.333 -28.869 1   41.371 ? 137 PHE   A C    1 ? 1 
ATOM   1861 O O    . PHE   A 1 125 ? -26.905 -19.808 -29.722 1   41.5   ? 137 PHE   A O    1 ? 1 
ATOM   1862 C CB   . PHE   A 1 125 ? -24.04  -18.178 -29.649 1   37.388 ? 137 PHE   A CB   1 ? 1 
ATOM   1863 C CG   . PHE   A 1 125 ? -24.366 -17.942 -31.111 1   38.587 ? 137 PHE   A CG   1 ? 1 
ATOM   1864 C CD1  . PHE   A 1 125 ? -25.443 -17.14  -31.472 1   38.372 ? 137 PHE   A CD1  1 ? 1 
ATOM   1865 C CD2  . PHE   A 1 125 ? -23.556 -18.45  -32.112 1   41.195 ? 137 PHE   A CD2  1 ? 1 
ATOM   1866 C CE1  . PHE   A 1 125 ? -25.718 -16.885 -32.808 1   41.581 ? 137 PHE   A CE1  1 ? 1 
ATOM   1867 C CE2  . PHE   A 1 125 ? -23.842 -18.195 -33.452 1   46.124 ? 137 PHE   A CE2  1 ? 1 
ATOM   1868 C CZ   . PHE   A 1 125 ? -24.902 -17.385 -33.802 1   43.113 ? 137 PHE   A CZ   1 ? 1 
ATOM   1869 H H    . PHE   A 1 125 ? -24.803 -20.777 -30.531 1   42.875 ? 137 PHE   A H    1 c 1 
ATOM   1870 H HA   . PHE   A 1 125 ? -24.273 -19.529 -28.103 1   39.056 ? 137 PHE   A HA   1 c 1 
ATOM   1871 H HB2  . PHE   A 1 125 ? -24.323 -17.389 -29.136 1   36.796 ? 137 PHE   A HB2  1 c 1 
ATOM   1872 H HB3  . PHE   A 1 125 ? -23.064 -18.247 -29.556 1   36.137 ? 137 PHE   A HB3  1 c 1 
ATOM   1873 H HD1  . PHE   A 1 125 ? -25.993 -16.769 -30.801 1   39.357 ? 137 PHE   A HD1  1 c 1 
ATOM   1874 H HD2  . PHE   A 1 125 ? -22.812 -18.984 -31.884 1   40.898 ? 137 PHE   A HD2  1 c 1 
ATOM   1875 H HE1  . PHE   A 1 125 ? -26.457 -16.344 -33.037 1   42.119 ? 137 PHE   A HE1  1 c 1 
ATOM   1876 H HE2  . PHE   A 1 125 ? -23.284 -18.553 -34.124 1   44.423 ? 137 PHE   A HE2  1 c 1 
ATOM   1877 H HZ   . PHE   A 1 125 ? -25.108 -17.233 -34.711 1   44.458 ? 137 PHE   A HZ   1 c 1 
ATOM   1878 N N    . LYS   A 1 126 ? -26.632 -18.775 -27.751 1   43.265 ? 138 LYS   A N    1 ? 1 
ATOM   1879 C CA   . LYS   A 1 126 ? -28.032 -18.799 -27.378 1   47.927 ? 138 LYS   A CA   1 ? 1 
ATOM   1880 C C    . LYS   A 1 126 ? -28.294 -17.467 -26.662 1   48.976 ? 138 LYS   A C    1 ? 1 
ATOM   1881 O O    . LYS   A 1 126 ? -27.408 -16.916 -26.018 1   39.919 ? 138 LYS   A O    1 ? 1 
ATOM   1882 C CB   . LYS   A 1 126 ? -28.424 -20.061 -26.585 1   47.13  ? 138 LYS   A CB   1 ? 1 
ATOM   1883 H H    . LYS   A 1 126 ? -26.039 -18.359 -27.194 1   41.816 ? 138 LYS   A H    1 c 1 
ATOM   1884 H HA   . LYS   A 1 126 ? -28.569 -18.8   -28.211 1   48.052 ? 138 LYS   A HA   1 c 1 
ATOM   1885 H HB2  . LYS   A 1 126 ? -27.553 -20.462 -26.231 0   30     ? 138 LYS   A HB2  1 c 1 
ATOM   1886 H HB3  . LYS   A 1 126 ? -29.358 -20.091 -26.473 0   30     ? 138 LYS   A HB3  1 c 1 
ATOM   1887 N N    . GLY   A 1 127 ? -29.556 -16.994 -26.721 1   49.94  ? 139 GLY   A N    1 ? 1 
ATOM   1888 C CA   . GLY   A 1 127 ? -29.883 -15.678 -26.206 1   52.099 ? 139 GLY   A CA   1 ? 1 
ATOM   1889 C C    . GLY   A 1 127 ? -29.932 -15.633 -24.682 1   56.831 ? 139 GLY   A C    1 ? 1 
ATOM   1890 O O    . GLY   A 1 127 ? -30.27  -16.639 -24.058 1   63.112 ? 139 GLY   A O    1 ? 1 
ATOM   1891 H H    . GLY   A 1 127 ? -30.218 -17.505 -27.089 1   52.46  ? 139 GLY   A H    1 c 1 
ATOM   1892 H HA2  . GLY   A 1 127 ? -29.214 -15.031 -26.533 1   50.362 ? 139 GLY   A HA2  1 c 1 
ATOM   1893 H HA3  . GLY   A 1 127 ? -30.756 -15.412 -26.564 1   53.686 ? 139 GLY   A HA3  1 c 1 
ATOM   1894 N N    . GLU   A 1 128 ? -29.538 -14.474 -24.113 1   65.114 ? 140 GLU   A N    1 ? 1 
ATOM   1895 C CA   . GLU   A 1 128 ? -29.847 -14.118 -22.733 1   68.478 ? 140 GLU   A CA   1 ? 1 
ATOM   1896 C C    . GLU   A 1 128 ? -31.279 -14.645 -22.451 1   67.233 ? 140 GLU   A C    1 ? 1 
ATOM   1897 O O    . GLU   A 1 128 ? -32.197 -14.499 -23.319 1   69.143 ? 140 GLU   A O    1 ? 1 
ATOM   1898 C CB   . GLU   A 1 128 ? -29.512 -12.641 -22.433 1   65.321 ? 140 GLU   A CB   1 ? 1 
ATOM   1899 O OXT  . GLU   A 1 128 ? -31.415 -15.301 -21.427 1   71.455 ? 140 GLU   A OXT  1 ? 1 
ATOM   1900 H H    . GLU   A 1 128 ? -29.051 -13.885 -24.614 1   61.176 ? 140 GLU   A H    1 c 1 
ATOM   1901 H HA   . GLU   A 1 128 ? -29.234 -14.643 -22.158 1   66.414 ? 140 GLU   A HA   1 c 1 
ATOM   1902 H HB2  . GLU   A 1 128 ? -28.568 -12.657 -22.271 0   30     ? 140 GLU   A HB2  1 c 1 
ATOM   1903 H HB3  . GLU   A 1 128 ? -30.389 -12.305 -22.185 0   30     ? 140 GLU   A HB3  1 c 1 
ATOM   1904 N N    . GLY   B 1 1   ? -2.879  5.058   3.467   1   44.228 ? 13  GLY   B N    1 ? 2 
ATOM   1905 C CA   . GLY   B 1 1   ? -4.108  5.835   3.367   1   40.691 ? 13  GLY   B CA   1 ? 2 
ATOM   1906 C C    . GLY   B 1 1   ? -5.343  4.95    3.432   1   41.921 ? 13  GLY   B C    1 ? 2 
ATOM   1907 O O    . GLY   B 1 1   ? -5.329  3.838   3.96    1   37.506 ? 13  GLY   B O    1 ? 2 
ATOM   1908 H H1   . GLY   B 1 1   ? -2.161  5.605   3.405   1   45.348 ? 13  GLY   B H1   1 c 2 
ATOM   1909 H H2   . GLY   B 1 1   ? -2.841  4.448   2.799   1   42.362 ? 13  GLY   B H2   1 c 2 
ATOM   1910 H H3   . GLY   B 1 1   ? -2.85   4.625   4.262   1   43.398 ? 13  GLY   B H3   1 c 2 
ATOM   1911 H HA2  . GLY   B 1 1   ? -4.134  6.492   4.102   1   43.45  ? 13  GLY   B HA2  1 c 2 
ATOM   1912 H HA3  . GLY   B 1 1   ? -4.103  6.333   2.515   1   42.467 ? 13  GLY   B HA3  1 c 2 
ATOM   1913 N N    . ALA   B 1 2   ? -6.421  5.503   2.883   1   39.161 ? 14  ALA   B N    1 ? 2 
ATOM   1914 C CA   . ALA   B 1 2   ? -7.736  4.915   3.018   1   35.352 ? 14  ALA   B CA   1 ? 2 
ATOM   1915 C C    . ALA   B 1 2   ? -7.724  3.46    2.594   1   32.798 ? 14  ALA   B C    1 ? 2 
ATOM   1916 O O    . ALA   B 1 2   ? -8.366  2.649   3.24    1   32.673 ? 14  ALA   B O    1 ? 2 
ATOM   1917 C CB   . ALA   B 1 2   ? -8.748  5.764   2.247   1   36.155 ? 14  ALA   B CB   1 ? 2 
ATOM   1918 H H    . ALA   B 1 2   ? -6.333  6.278   2.406   1   40.084 ? 14  ALA   B H    1 c 2 
ATOM   1919 H HA   . ALA   B 1 2   ? -7.978  4.943   3.985   1   36.041 ? 14  ALA   B HA   1 c 2 
ATOM   1920 H HB1  . ALA   B 1 2   ? -8.905  6.597   2.723   1   36.936 ? 14  ALA   B HB1  1 c 2 
ATOM   1921 H HB2  . ALA   B 1 2   ? -8.405  5.964   1.361   1   36.112 ? 14  ALA   B HB2  1 c 2 
ATOM   1922 H HB3  . ALA   B 1 2   ? -9.586  5.279   2.166   1   34.337 ? 14  ALA   B HB3  1 c 2 
ATOM   1923 N N    . PRO   B 1 3   ? -7.181  3.044   1.429   1   31.961 ? 15  PRO   B N    1 ? 2 
ATOM   1924 C CA   . PRO   B 1 3   ? -7.248  1.623   1.074   1   32.447 ? 15  PRO   B CA   1 ? 2 
ATOM   1925 C C    . PRO   B 1 3   ? -6.635  0.659   2.116   1   32.419 ? 15  PRO   B C    1 ? 2 
ATOM   1926 O O    . PRO   B 1 3   ? -7.219  -0.371  2.46    1   32.329 ? 15  PRO   B O    1 ? 2 
ATOM   1927 C CB   . PRO   B 1 3   ? -6.543  1.603   -0.282  1   34.51  ? 15  PRO   B CB   1 ? 2 
ATOM   1928 C CG   . PRO   B 1 3   ? -6.769  3.007   -0.841  1   36.347 ? 15  PRO   B CG   1 ? 2 
ATOM   1929 C CD   . PRO   B 1 3   ? -6.696  3.898   0.331   1   36.459 ? 15  PRO   B CD   1 ? 2 
ATOM   1930 H HA   . PRO   B 1 3   ? -8.188  1.379   0.937   1   31.04  ? 15  PRO   B HA   1 c 2 
ATOM   1931 H HB2  . PRO   B 1 3   ? -5.59   1.419   -0.177  1   35.306 ? 15  PRO   B HB2  1 c 2 
ATOM   1932 H HB3  . PRO   B 1 3   ? -6.935  0.927   -0.869  1   33.176 ? 15  PRO   B HB3  1 c 2 
ATOM   1933 H HG2  . PRO   B 1 3   ? -6.078  3.238   -1.494  1   36.967 ? 15  PRO   B HG2  1 c 2 
ATOM   1934 H HG3  . PRO   B 1 3   ? -7.645  3.075   -1.271  1   34.911 ? 15  PRO   B HG3  1 c 2 
ATOM   1935 H HD2  . PRO   B 1 3   ? -5.779  4.191   0.499   1   37.463 ? 15  PRO   B HD2  1 c 2 
ATOM   1936 H HD3  . PRO   B 1 3   ? -7.268  4.678   0.216   1   36.122 ? 15  PRO   B HD3  1 c 2 
ATOM   1937 N N    . ALA   B 1 4   ? -5.445  0.982   2.626   1   32.636 ? 16  ALA   B N    1 ? 2 
ATOM   1938 C CA   . ALA   B 1 4   ? -4.798  0.188   3.666   1   33.532 ? 16  ALA   B CA   1 ? 2 
ATOM   1939 C C    . ALA   B 1 4   ? -5.664  0.172   4.93    1   32.692 ? 16  ALA   B C    1 ? 2 
ATOM   1940 O O    . ALA   B 1 4   ? -5.735  -0.833  5.605   1   32.135 ? 16  ALA   B O    1 ? 2 
ATOM   1941 C CB   . ALA   B 1 4   ? -3.423  0.693   3.948   1   37.276 ? 16  ALA   B CB   1 ? 2 
ATOM   1942 H H    . ALA   B 1 4   ? -5.015  1.726   2.313   1   34.126 ? 16  ALA   B H    1 c 2 
ATOM   1943 H HA   . ALA   B 1 4   ? -4.729  -0.75   3.334   1   32.854 ? 16  ALA   B HA   1 c 2 
ATOM   1944 H HB1  . ALA   B 1 4   ? -2.889  0.657   3.137   1   37.185 ? 16  ALA   B HB1  1 c 2 
ATOM   1945 H HB2  . ALA   B 1 4   ? -3.47   1.612   4.26    1   37.852 ? 16  ALA   B HB2  1 c 2 
ATOM   1946 H HB3  . ALA   B 1 4   ? -3.006  0.143   4.632   1   37.604 ? 16  ALA   B HB3  1 c 2 
ATOM   1947 N N    . THR   B 1 5   ? -6.345  1.272   5.247   1   32.379 ? 17  THR   B N    1 ? 2 
ATOM   1948 C CA   . THR   B 1 5   ? -7.169  1.326   6.435   1   31.59  ? 17  THR   B CA   1 ? 2 
ATOM   1949 C C    . THR   B 1 5   ? -8.292  0.306   6.252   1   29.589 ? 17  THR   B C    1 ? 2 
ATOM   1950 O O    . THR   B 1 5   ? -8.683  -0.361  7.177   1   30.003 ? 17  THR   B O    1 ? 2 
ATOM   1951 C CB   . THR   B 1 5   ? -7.696  2.739   6.688   1   36.836 ? 17  THR   B CB   1 ? 2 
ATOM   1952 O OG1  . THR   B 1 5   ? -6.531  3.544   6.91    1   36.528 ? 17  THR   B OG1  1 ? 2 
ATOM   1953 C CG2  . THR   B 1 5   ? -8.628  2.855   7.883   1   36.923 ? 17  THR   B CG2  1 ? 2 
ATOM   1954 H H    . THR   B 1 5   ? -6.289  2.011   4.712   1   32.615 ? 17  THR   B H    1 c 2 
ATOM   1955 H HA   . THR   B 1 5   ? -6.62   1.057   7.205   1   33.718 ? 17  THR   B HA   1 c 2 
ATOM   1956 H HB   . THR   B 1 5   ? -8.166  3.063   5.883   1   34.464 ? 17  THR   B HB   1 c 2 
ATOM   1957 H HG1  . THR   B 1 5   ? -6.089  3.19    7.615   0   30     ? 17  THR   B HG1  1 c 2 
ATOM   1958 H HG21 . THR   B 1 5   ? -8.76   3.792   8.103   1   38.008 ? 17  THR   B HG21 1 c 2 
ATOM   1959 H HG22 . THR   B 1 5   ? -8.237  2.396   8.646   1   37.9   ? 17  THR   B HG22 1 c 2 
ATOM   1960 H HG23 . THR   B 1 5   ? -9.486  2.45    7.668   1   35.66  ? 17  THR   B HG23 1 c 2 
ATOM   1961 N N    . VAL   B 1 6   ? -8.836  0.202   5.043   1   28.299 ? 18  VAL   B N    1 ? 2 
ATOM   1962 C CA   . VAL   B 1 6   ? -9.932  -0.739  4.807   1   25.97  ? 18  VAL   B CA   1 ? 2 
ATOM   1963 C C    . VAL   B 1 6   ? -9.37   -2.163  4.883   1   26.592 ? 18  VAL   B C    1 ? 2 
ATOM   1964 O O    . VAL   B 1 6   ? -10.018 -3.026  5.455   1   24.411 ? 18  VAL   B O    1 ? 2 
ATOM   1965 C CB   . VAL   B 1 6   ? -10.621 -0.544  3.456   1   26.318 ? 18  VAL   B CB   1 ? 2 
ATOM   1966 C CG1  . VAL   B 1 6   ? -11.618 -1.667  3.268   1   26.351 ? 18  VAL   B CG1  1 ? 2 
ATOM   1967 C CG2  . VAL   B 1 6   ? -11.315 0.827   3.355   1   28.737 ? 18  VAL   B CG2  1 ? 2 
ATOM   1968 H H    . VAL   B 1 6   ? -8.537  0.723   4.353   1   28.157 ? 18  VAL   B H    1 c 2 
ATOM   1969 H HA   . VAL   B 1 6   ? -10.596 -0.627  5.512   1   26.77  ? 18  VAL   B HA   1 c 2 
ATOM   1970 H HB   . VAL   B 1 6   ? -9.931  -0.608  2.755   1   26.579 ? 18  VAL   B HB   1 c 2 
ATOM   1971 H HG11 . VAL   B 1 6   ? -12.057 -1.861  4.113   1   26.217 ? 18  VAL   B HG11 1 c 2 
ATOM   1972 H HG12 . VAL   B 1 6   ? -11.158 -2.463  2.951   1   25.663 ? 18  VAL   B HG12 1 c 2 
ATOM   1973 H HG13 . VAL   B 1 6   ? -12.285 -1.401  2.613   1   25.36  ? 18  VAL   B HG13 1 c 2 
ATOM   1974 H HG21 . VAL   B 1 6   ? -11.708 0.927   2.472   1   27.453 ? 18  VAL   B HG21 1 c 2 
ATOM   1975 H HG22 . VAL   B 1 6   ? -10.664 1.533   3.501   1   29.114 ? 18  VAL   B HG22 1 c 2 
ATOM   1976 H HG23 . VAL   B 1 6   ? -12.013 0.888   4.028   1   28.21  ? 18  VAL   B HG23 1 c 2 
ATOM   1977 N N    . THR   B 1 7   ? -8.19   -2.44   4.309   1   25.659 ? 19  THR   B N    1 ? 2 
ATOM   1978 C CA   . THR   B 1 7   ? -7.526  -3.735  4.468   1   29.147 ? 19  THR   B CA   1 ? 2 
ATOM   1979 C C    . THR   B 1 7   ? -7.444  -4.133  5.955   1   30.709 ? 19  THR   B C    1 ? 2 
ATOM   1980 O O    . THR   B 1 7   ? -7.845  -5.246  6.34    1   29.794 ? 19  THR   B O    1 ? 2 
ATOM   1981 C CB   . THR   B 1 7   ? -6.12   -3.768  3.853   1   27.716 ? 19  THR   B CB   1 ? 2 
ATOM   1982 O OG1  . THR   B 1 7   ? -6.376  -3.545  2.464   1   28.493 ? 19  THR   B OG1  1 ? 2 
ATOM   1983 C CG2  . THR   B 1 7   ? -5.438  -5.107  4.105   1   30.22  ? 19  THR   B CG2  1 ? 2 
ATOM   1984 H H    . THR   B 1 7   ? -7.786  -1.802  3.795   1   26.899 ? 19  THR   B H    1 c 2 
ATOM   1985 H HA   . THR   B 1 7   ? -8.072  -4.406  4.004   1   27.077 ? 19  THR   B HA   1 c 2 
ATOM   1986 H HB   . THR   B 1 7   ? -5.568  -3.033  4.213   1   29.972 ? 19  THR   B HB   1 c 2 
ATOM   1987 H HG1  . THR   B 1 7   ? -6.882  -4.187  2.171   0   30     ? 19  THR   B HG1  1 c 2 
ATOM   1988 H HG21 . THR   B 1 7   ? -4.739  -5.245  3.444   1   29.963 ? 19  THR   B HG21 1 c 2 
ATOM   1989 H HG22 . THR   B 1 7   ? -6.092  -5.823  4.037   1   28.809 ? 19  THR   B HG22 1 c 2 
ATOM   1990 H HG23 . THR   B 1 7   ? -5.045  -5.111  4.995   1   30.88  ? 19  THR   B HG23 1 c 2 
ATOM   1991 N N    . GLU   B 1 8   ? -7.082  -3.209  6.812   1   29.291 ? 20  GLU   B N    1 ? 2 
ATOM   1992 C CA   . GLU   B 1 8   ? -6.753  -3.554  8.193   1   33.537 ? 20  GLU   B CA   1 ? 2 
ATOM   1993 C C    . GLU   B 1 8   ? -8.017  -3.568  9.075   1   34.281 ? 20  GLU   B C    1 ? 2 
ATOM   1994 O O    . GLU   B 1 8   ? -8.06   -4.316  10.038  1   35.165 ? 20  GLU   B O    1 ? 2 
ATOM   1995 C CB   . GLU   B 1 8   ? -5.732  -2.556  8.763   1   40.229 ? 20  GLU   B CB   1 ? 2 
ATOM   1996 C CG   . GLU   B 1 8   ? -4.398  -2.492  7.978   1   45.283 ? 20  GLU   B CG   1 ? 2 
ATOM   1997 C CD   . GLU   B 1 8   ? -3.47   -1.27   8.29    1   50.369 ? 20  GLU   B CD   1 ? 2 
ATOM   1998 O OE1  . GLU   B 1 8   ? -3.887  -0.436  9.159   1   55.395 ? 20  GLU   B OE1  1 ? 2 
ATOM   1999 O OE2  . GLU   B 1 8   ? -2.34   -1.087  7.661   1   47.518 ? 20  GLU   B OE2  1 ? 2 
ATOM   2000 H H    . GLU   B 1 8   ? -7.026  -2.336  6.547   1   30.555 ? 20  GLU   B H    1 c 2 
ATOM   2001 H HA   . GLU   B 1 8   ? -6.348  -4.459  8.204   1   34.195 ? 20  GLU   B HA   1 c 2 
ATOM   2002 H HB2  . GLU   B 1 8   ? -6.138  -1.664  8.769   1   39.933 ? 20  GLU   B HB2  1 c 2 
ATOM   2003 H HB3  . GLU   B 1 8   ? -5.538  -2.801  9.692   1   41.417 ? 20  GLU   B HB3  1 c 2 
ATOM   2004 H HG2  . GLU   B 1 8   ? -3.89   -3.311  8.16    1   45.402 ? 20  GLU   B HG2  1 c 2 
ATOM   2005 H HG3  . GLU   B 1 8   ? -4.595  -2.488  7.019   1   43.305 ? 20  GLU   B HG3  1 c 2 
ATOM   2006 N N    . GLN   B 1 9   ? -9.045  -2.783  8.749   1   30.756 ? 21  GLN   B N    1 ? 2 
ATOM   2007 C CA   . GLN   B 1 9   ? -10.12  -2.461  9.675   1   30.128 ? 21  GLN   B CA   1 ? 2 
ATOM   2008 C C    . GLN   B 1 9   ? -11.522 -2.725  9.131   1   26.179 ? 21  GLN   B C    1 ? 2 
ATOM   2009 O O    . GLN   B 1 9   ? -12.479 -2.718  9.938   1   29.288 ? 21  GLN   B O    1 ? 2 
ATOM   2010 C CB   . GLN   B 1 9   ? -10.175 -1.023  10.182  1   32.959 ? 21  GLN   B CB   1 ? 2 
ATOM   2011 C CG   . GLN   B 1 9   ? -8.877  -0.545  10.818  1   36.54  ? 21  GLN   B CG   1 ? 2 
ATOM   2012 C CD   . GLN   B 1 9   ? -8.922  0.904   11.227  1   37.723 ? 21  GLN   B CD   1 ? 2 
ATOM   2013 O OE1  . GLN   B 1 9   ? -9.958  1.578   11.194  1   37.62  ? 21  GLN   B OE1  1 ? 2 
ATOM   2014 N NE2  . GLN   B 1 9   ? -7.78   1.355   11.693  1   40.977 ? 21  GLN   B NE2  1 ? 2 
ATOM   2015 H H    . GLN   B 1 9   ? -9.062  -2.405  7.917   1   30.02  ? 21  GLN   B H    1 c 2 
ATOM   2016 H HA   . GLN   B 1 9   ? -10.005 -3.034  10.475  1   31.36  ? 21  GLN   B HA   1 c 2 
ATOM   2017 H HB2  . GLN   B 1 9   ? -10.396 -0.433  9.432   1   31.902 ? 21  GLN   B HB2  1 c 2 
ATOM   2018 H HB3  . GLN   B 1 9   ? -10.895 -0.947  10.842  1   33.416 ? 21  GLN   B HB3  1 c 2 
ATOM   2019 H HG2  . GLN   B 1 9   ? -8.685  -1.091  11.61   1   37.339 ? 21  GLN   B HG2  1 c 2 
ATOM   2020 H HG3  . GLN   B 1 9   ? -8.14   -0.671  10.183  1   35.792 ? 21  GLN   B HG3  1 c 2 
ATOM   2021 H HE21 . GLN   B 1 9   ? -7.713  2.2     11.954  1   41.701 ? 21  GLN   B HE21 1 c 2 
ATOM   2022 H HE22 . GLN   B 1 9   ? -7.076  0.817   11.749  1   41.074 ? 21  GLN   B HE22 1 c 2 
ATOM   2023 N N    . GLY   B 1 10  ? -11.599 -3.023  7.846   1   26.523 ? 22  GLY   B N    1 ? 2 
ATOM   2024 C CA   . GLY   B 1 10  ? -12.881 -3.154  7.162   1   25.652 ? 22  GLY   B CA   1 ? 2 
ATOM   2025 C C    . GLY   B 1 10  ? -13.565 -4.48   7.471   1   24.359 ? 22  GLY   B C    1 ? 2 
ATOM   2026 O O    . GLY   B 1 10  ? -12.923 -5.502  7.718   1   23.223 ? 22  GLY   B O    1 ? 2 
ATOM   2027 H H    . GLY   B 1 10  ? -10.835 -3.163  7.367   1   25.927 ? 22  GLY   B H    1 c 2 
ATOM   2028 H HA2  . GLY   B 1 10  ? -13.465 -2.409  7.436   1   25.483 ? 22  GLY   B HA2  1 c 2 
ATOM   2029 H HA3  . GLY   B 1 10  ? -12.733 -3.081  6.19    1   24.23  ? 22  GLY   B HA3  1 c 2 
ATOM   2030 N N    . GLU   B 1 11  ? -14.882 -4.395  7.443   1   23.871 ? 23  GLU   B N    1 ? 2 
ATOM   2031 C CA   . GLU   B 1 11  ? -15.759 -5.548  7.623   1   24.501 ? 23  GLU   B CA   1 ? 2 
ATOM   2032 C C    . GLU   B 1 11  ? -15.919 -6.304  6.314   1   22.243 ? 23  GLU   B C    1 ? 2 
ATOM   2033 O O    . GLU   B 1 11  ? -16.088 -5.703  5.278   1   21.458 ? 23  GLU   B O    1 ? 2 
ATOM   2034 C CB   . GLU   B 1 11  ? -17.088 -4.979  8.159   1   27.722 ? 23  GLU   B CB   1 ? 2 
ATOM   2035 C CG   . GLU   B 1 11  ? -18.16  -6.041  8.135   1   33.083 ? 23  GLU   B CG   1 ? 2 
ATOM   2036 C CD   . GLU   B 1 11  ? -19.537 -5.553  8.552   1   45.027 ? 23  GLU   B CD   1 ? 2 
ATOM   2037 O OE1  . GLU   B 1 11  ? -19.754 -4.351  8.786   1   45.099 ? 23  GLU   B OE1  1 ? 2 
ATOM   2038 O OE2  . GLU   B 1 11  ? -20.381 -6.443  8.641   1   45.109 ? 23  GLU   B OE2  1 ? 2 
ATOM   2039 H H    . GLU   B 1 11  ? -15.265 -3.578  7.299   1   23.897 ? 23  GLU   B H    1 c 2 
ATOM   2040 H HA   . GLU   B 1 11  ? -15.36  -6.148  8.303   1   25.617 ? 23  GLU   B HA   1 c 2 
ATOM   2041 H HB2  . GLU   B 1 11  ? -16.955 -4.654  9.074   1   29.296 ? 23  GLU   B HB2  1 c 2 
ATOM   2042 H HB3  . GLU   B 1 11  ? -17.362 -4.219  7.604   1   27.438 ? 23  GLU   B HB3  1 c 2 
ATOM   2043 H HG2  . GLU   B 1 11  ? -18.228 -6.409  7.229   1   32.845 ? 23  GLU   B HG2  1 c 2 
ATOM   2044 H HG3  . GLU   B 1 11  ? -17.896 -6.774  8.732   1   34.848 ? 23  GLU   B HG3  1 c 2 
ATOM   2045 N N    . ASP   B 1 12  ? -15.824 -7.628  6.358   1   22.026 ? 24  ASP   B N    1 ? 2 
ATOM   2046 C CA   . ASP   B 1 12  ? -16.026 -8.488  5.217   1   20.697 ? 24  ASP   B CA   1 ? 2 
ATOM   2047 C C    . ASP   B 1 12  ? -17.529 -8.683  5.03    1   23.213 ? 24  ASP   B C    1 ? 2 
ATOM   2048 O O    . ASP   B 1 12  ? -18.164 -9.38   5.833   1   24.246 ? 24  ASP   B O    1 ? 2 
ATOM   2049 C CB   . ASP   B 1 12  ? -15.326 -9.823  5.428   1   23.048 ? 24  ASP   B CB   1 ? 2 
ATOM   2050 C CG   . ASP   B 1 12  ? -15.434 -10.77  4.252   1   23.503 ? 24  ASP   B CG   1 ? 2 
ATOM   2051 O OD1  . ASP   B 1 12  ? -16.154 -10.395 3.228   1   20.913 ? 24  ASP   B OD1  1 ? 2 
ATOM   2052 O OD2  . ASP   B 1 12  ? -14.772 -11.809 4.28    1   23.217 ? 24  ASP   B OD2  1 ? 2 
ATOM   2053 H H    . ASP   B 1 12  ? -15.621 -8.021  7.158   1   23.157 ? 24  ASP   B H    1 c 2 
ATOM   2054 H HA   . ASP   B 1 12  ? -15.653 -8.052  4.42    1   20.532 ? 24  ASP   B HA   1 c 2 
ATOM   2055 H HB2  . ASP   B 1 12  ? -14.376 -9.657  5.602   1   22.941 ? 24  ASP   B HB2  1 c 2 
ATOM   2056 H HB3  . ASP   B 1 12  ? -15.705 -10.264 6.217   1   24.089 ? 24  ASP   B HB3  1 c 2 
ATOM   2057 N N    . ILE   B 1 13  ? -18.094 -8.078  3.975   1   24.16  ? 25  ILE   B N    1 ? 2 
ATOM   2058 C CA   . ILE   B 1 13  ? -19.534 -8.107  3.758   1   22.361 ? 25  ILE   B CA   1 ? 2 
ATOM   2059 C C    . ILE   B 1 13  ? -19.908 -9.111  2.656   1   25.927 ? 25  ILE   B C    1 ? 2 
ATOM   2060 O O    . ILE   B 1 13  ? -21.075 -9.12   2.205   1   26.53  ? 25  ILE   B O    1 ? 2 
ATOM   2061 C CB   . ILE   B 1 13  ? -20.098 -6.718  3.462   1   23.827 ? 25  ILE   B CB   1 ? 2 
ATOM   2062 C CG1  . ILE   B 1 13  ? -19.476 -6.127  2.166   1   22.007 ? 25  ILE   B CG1  1 ? 2 
ATOM   2063 C CG2  . ILE   B 1 13  ? -19.918 -5.742  4.65    1   26.574 ? 25  ILE   B CG2  1 ? 2 
ATOM   2064 C CD1  . ILE   B 1 13  ? -20.215 -4.882  1.727   1   27.009 ? 25  ILE   B CD1  1 ? 2 
ATOM   2065 H H    . ILE   B 1 13  ? -17.565 -7.644  3.37    1   22.252 ? 25  ILE   B H    1 c 2 
ATOM   2066 H HA   . ILE   B 1 13  ? -19.95  -8.415  4.586   1   24.888 ? 25  ILE   B HA   1 c 2 
ATOM   2067 H HB   . ILE   B 1 13  ? -21.058 -6.818  3.306   1   24.323 ? 25  ILE   B HB   1 c 2 
ATOM   2068 H HG12 . ILE   B 1 13  ? -18.537 -5.903  2.329   1   22.781 ? 25  ILE   B HG12 1 c 2 
ATOM   2069 H HG13 . ILE   B 1 13  ? -19.514 -6.794  1.45    1   22.948 ? 25  ILE   B HG13 1 c 2 
ATOM   2070 H HG21 . ILE   B 1 13  ? -20.485 -4.963  4.522   1   26.02  ? 25  ILE   B HG21 1 c 2 
ATOM   2071 H HG22 . ILE   B 1 13  ? -18.99  -5.459  4.702   1   25.459 ? 25  ILE   B HG22 1 c 2 
ATOM   2072 H HG23 . ILE   B 1 13  ? -20.166 -6.187  5.478   1   26.975 ? 25  ILE   B HG23 1 c 2 
ATOM   2073 H HD11 . ILE   B 1 13  ? -21.178 -5.038  1.772   1   25.996 ? 25  ILE   B HD11 1 c 2 
ATOM   2074 H HD12 . ILE   B 1 13  ? -19.967 -4.663  0.809   1   24.762 ? 25  ILE   B HD12 1 c 2 
ATOM   2075 H HD13 . ILE   B 1 13  ? -19.981 -4.137  2.312   1   25.514 ? 25  ILE   B HD13 1 c 2 
ATOM   2076 N N    . THR   B 1 14  ? -19.002 -10     2.277   1   23.45  ? 26  THR   B N    1 ? 2 
ATOM   2077 C CA   . THR   B 1 14  ? -19.293 -11.072 1.312   1   22.691 ? 26  THR   B CA   1 ? 2 
ATOM   2078 C C    . THR   B 1 14  ? -20.025 -12.22  1.993   1   28.625 ? 26  THR   B C    1 ? 2 
ATOM   2079 O O    . THR   B 1 14  ? -19.747 -12.513 3.162   1   29.126 ? 26  THR   B O    1 ? 2 
ATOM   2080 C CB   . THR   B 1 14  ? -18.054 -11.65  0.597   1   24.333 ? 26  THR   B CB   1 ? 2 
ATOM   2081 O OG1  . THR   B 1 14  ? -17.127 -12.195 1.545   1   21.687 ? 26  THR   B OG1  1 ? 2 
ATOM   2082 C CG2  . THR   B 1 14  ? -17.324 -10.527 -0.106  1   25.085 ? 26  THR   B CG2  1 ? 2 
ATOM   2083 H H    . THR   B 1 14  ? -18.159 -9.95   2.625   1   23.506 ? 26  THR   B H    1 c 2 
ATOM   2084 H HA   . THR   B 1 14  ? -19.885 -10.698 0.625   1   23.812 ? 26  THR   B HA   1 c 2 
ATOM   2085 H HB   . THR   B 1 14  ? -18.318 -12.344 -0.051  1   24.003 ? 26  THR   B HB   1 c 2 
ATOM   2086 H HG1  . THR   B 1 14  ? -16.893 -11.58  2.117   0   30     ? 26  THR   B HG1  1 c 2 
ATOM   2087 H HG21 . THR   B 1 14  ? -16.58  -10.891 -0.613  1   24.216 ? 26  THR   B HG21 1 c 2 
ATOM   2088 H HG22 . THR   B 1 14  ? -16.989 -9.896  0.552   1   24.201 ? 26  THR   B HG22 1 c 2 
ATOM   2089 H HG23 . THR   B 1 14  ? -17.934 -10.072 -0.71   1   24.177 ? 26  THR   B HG23 1 c 2 
ATOM   2090 N N    . SER   B 1 15  ? -20.89  -12.898 1.227   1   24.879 ? 27  SER   B N    1 ? 2 
ATOM   2091 C CA   . SER   B 1 15  ? -21.564 -14.093 1.702   1   28.906 ? 27  SER   B CA   1 ? 2 
ATOM   2092 C C    . SER   B 1 15  ? -20.542 -15.194 1.936   1   29.366 ? 27  SER   B C    1 ? 2 
ATOM   2093 O O    . SER   B 1 15  ? -20.677 -15.967 2.846   1   31.302 ? 27  SER   B O    1 ? 2 
ATOM   2094 C CB   . SER   B 1 15  ? -22.617 -14.624 0.71    1   33.522 ? 27  SER   B CB   1 ? 2 
ATOM   2095 O OG   . SER   B 1 15  ? -23.661 -13.666 0.635   1   38.549 ? 27  SER   B OG   1 ? 2 
ATOM   2096 H H    . SER   B 1 15  ? -21.064 -12.604 0.379   1   25.728 ? 27  SER   B H    1 c 2 
ATOM   2097 H HA   . SER   B 1 15  ? -22.009 -13.885 2.562   1   29.92  ? 27  SER   B HA   1 c 2 
ATOM   2098 H HB2  . SER   B 1 15  ? -22.213 -14.747 -0.169  1   32.996 ? 27  SER   B HB2  1 c 2 
ATOM   2099 H HB3  . SER   B 1 15  ? -22.968 -15.478 1.023   1   35.312 ? 27  SER   B HB3  1 c 2 
ATOM   2100 H HG   . SER   B 1 15  ? -24.245 -13.934 0.097   0   30     ? 27  SER   B HG   1 c 2 
ATOM   2101 N N    . LYS   B 1 16  ? -19.585 -15.331 1.014   1   26.446 ? 28  LYS   B N    1 ? 2 
ATOM   2102 C CA   . LYS   B 1 16  ? -18.578 -16.369 1.134   1   30.525 ? 28  LYS   B CA   1 ? 2 
ATOM   2103 C C    . LYS   B 1 16  ? -17.517 -16.072 2.203   1   28.609 ? 28  LYS   B C    1 ? 2 
ATOM   2104 O O    . LYS   B 1 16  ? -16.744 -16.96  2.525   1   27.793 ? 28  LYS   B O    1 ? 2 
ATOM   2105 C CB   . LYS   B 1 16  ? -17.845 -16.525 -0.196  1   35.784 ? 28  LYS   B CB   1 ? 2 
ATOM   2106 C CG   . LYS   B 1 16  ? -18.581 -17.322 -1.257  1   48.692 ? 28  LYS   B CG   1 ? 2 
ATOM   2107 C CD   . LYS   B 1 16  ? -17.538 -17.631 -2.33   1   59.289 ? 28  LYS   B CD   1 ? 2 
ATOM   2108 C CE   . LYS   B 1 16  ? -17.831 -18.735 -3.278  1   73.908 ? 28  LYS   B CE   1 ? 2 
ATOM   2109 N NZ   . LYS   B 1 16  ? -18.764 -18.131 -4.227  1   76.334 ? 28  LYS   B NZ   1 ? 2 
ATOM   2110 H H    . LYS   B 1 16  ? -19.564 -14.771 0.292   1   26.62  ? 28  LYS   B H    1 c 2 
ATOM   2111 H HA   . LYS   B 1 16  ? -19.029 -17.223 1.356   1   32.015 ? 28  LYS   B HA   1 c 2 
ATOM   2112 H HB2  . LYS   B 1 16  ? -17.656 -15.633 -0.557  1   35.043 ? 28  LYS   B HB2  1 c 2 
ATOM   2113 H HB3  . LYS   B 1 16  ? -16.983 -16.961 -0.025  1   36.716 ? 28  LYS   B HB3  1 c 2 
ATOM   2114 H HG2  . LYS   B 1 16  ? -18.933 -18.153 -0.87   1   49.176 ? 28  LYS   B HG2  1 c 2 
ATOM   2115 H HG3  . LYS   B 1 16  ? -19.313 -16.787 -1.633  1   47.421 ? 28  LYS   B HG3  1 c 2 
ATOM   2116 H HD2  . LYS   B 1 16  ? -17.38  -16.81  -2.844  1   58.003 ? 28  LYS   B HD2  1 c 2 
ATOM   2117 H HD3  . LYS   B 1 16  ? -16.694 -17.841 -1.875  1   58.695 ? 28  LYS   B HD3  1 c 2 
ATOM   2118 H HE2  . LYS   B 1 16  ? -17.025 -19.03  -3.739  1   71.158 ? 28  LYS   B HE2  1 c 2 
ATOM   2119 H HE3  . LYS   B 1 16  ? -18.251 -19.489 -2.826  1   72.688 ? 28  LYS   B HE3  1 c 2 
ATOM   2120 H HZ1  . LYS   B 1 16  ? -18.355 -17.469 -4.693  1   73.966 ? 28  LYS   B HZ1  1 c 2 
ATOM   2121 H HZ2  . LYS   B 1 16  ? -19.484 -17.793 -3.794  1   74.966 ? 28  LYS   B HZ2  1 c 2 
ATOM   2122 H HZ3  . LYS   B 1 16  ? -19.047 -18.763 -4.811  1   76.374 ? 28  LYS   B HZ3  1 c 2 
ATOM   2123 N N    . LYS   B 1 17  ? -17.478 -14.884 2.784   1   29.304 ? 29  LYS   B N    1 ? 2 
ATOM   2124 C CA   . LYS   B 1 17  ? -16.418 -14.497 3.733   1   27.8   ? 29  LYS   B CA   1 ? 2 
ATOM   2125 C C    . LYS   B 1 17  ? -15.021 -14.748 3.129   1   28.451 ? 29  LYS   B C    1 ? 2 
ATOM   2126 O O    . LYS   B 1 17  ? -14.123 -15.32  3.756   1   27.743 ? 29  LYS   B O    1 ? 2 
ATOM   2127 C CB   . LYS   B 1 17  ? -16.575 -15.181 5.091   1   31.45  ? 29  LYS   B CB   1 ? 2 
ATOM   2128 C CG   . LYS   B 1 17  ? -17.853 -14.698 5.792   1   35.996 ? 29  LYS   B CG   1 ? 2 
ATOM   2129 C CD   . LYS   B 1 17  ? -17.76  -13.295 6.368   1   41.332 ? 29  LYS   B CD   1 ? 2 
ATOM   2130 C CE   . LYS   B 1 17  ? -18.874 -12.841 7.319   1   48.731 ? 29  LYS   B CE   1 ? 2 
ATOM   2131 N NZ   . LYS   B 1 17  ? -19.759 -11.988 6.496   1   48.64  ? 29  LYS   B NZ   1 ? 2 
ATOM   2132 H H    . LYS   B 1 17  ? -18.126 -14.272 2.588   1   28.058 ? 29  LYS   B H    1 c 2 
ATOM   2133 H HA   . LYS   B 1 17  ? -16.504 -13.524 3.886   1   27.843 ? 29  LYS   B HA   1 c 2 
ATOM   2134 H HB2  . LYS   B 1 17  ? -16.621 -16.153 4.972   1   32.923 ? 29  LYS   B HB2  1 c 2 
ATOM   2135 H HB3  . LYS   B 1 17  ? -15.802 -14.974 5.657   1   32.063 ? 29  LYS   B HB3  1 c 2 
ATOM   2136 H HG2  . LYS   B 1 17  ? -18.594 -14.728 5.148   1   36.027 ? 29  LYS   B HG2  1 c 2 
ATOM   2137 H HG3  . LYS   B 1 17  ? -18.065 -15.325 6.517   1   38.072 ? 29  LYS   B HG3  1 c 2 
ATOM   2138 H HD2  . LYS   B 1 17  ? -16.903 -13.225 6.844   1   41.063 ? 29  LYS   B HD2  1 c 2 
ATOM   2139 H HD3  . LYS   B 1 17  ? -17.712 -12.664 5.618   1   39.489 ? 29  LYS   B HD3  1 c 2 
ATOM   2140 H HE2  . LYS   B 1 17  ? -19.371 -13.604 7.663   1   49.132 ? 29  LYS   B HE2  1 c 2 
ATOM   2141 H HE3  . LYS   B 1 17  ? -18.51  -12.326 8.061   1   47.86  ? 29  LYS   B HE3  1 c 2 
ATOM   2142 H HZ1  . LYS   B 1 17  ? -20.016 -12.433 5.749   1   47.856 ? 29  LYS   B HZ1  1 c 2 
ATOM   2143 H HZ2  . LYS   B 1 17  ? -19.327 -11.228 6.26    1   46.918 ? 29  LYS   B HZ2  1 c 2 
ATOM   2144 H HZ3  . LYS   B 1 17  ? -20.497 -11.769 6.975   1   49.141 ? 29  LYS   B HZ3  1 c 2 
ATOM   2145 N N    . ASP   B 1 18  ? -14.833 -14.223 1.935   1   25.471 ? 30  ASP   B N    1 ? 2 
ATOM   2146 C CA   . ASP   B 1 18  ? -13.559 -14.351 1.236   1   25.646 ? 30  ASP   B CA   1 ? 2 
ATOM   2147 C C    . ASP   B 1 18  ? -12.807 -13.02  1.186   1   25.345 ? 30  ASP   B C    1 ? 2 
ATOM   2148 O O    . ASP   B 1 18  ? -11.864 -12.896 0.407   1   21.247 ? 30  ASP   B O    1 ? 2 
ATOM   2149 C CB   . ASP   B 1 18  ? -13.724 -14.898 -0.186  1   25.139 ? 30  ASP   B CB   1 ? 2 
ATOM   2150 C CG   . ASP   B 1 18  ? -14.601 -14.067 -1.114  1   28.742 ? 30  ASP   B CG   1 ? 2 
ATOM   2151 O OD1  . ASP   B 1 18  ? -14.848 -12.897 -0.781  1   24.464 ? 30  ASP   B OD1  1 ? 2 
ATOM   2152 O OD2  . ASP   B 1 18  ? -15.133 -14.633 -2.095  1   24.852 ? 30  ASP   B OD2  1 ? 2 
ATOM   2153 H H    . ASP   B 1 18  ? -15.511 -13.759 1.535   1   25.395 ? 30  ASP   B H    1 c 2 
ATOM   2154 H HA   . ASP   B 1 18  ? -13.003 -14.999 1.724   1   26.587 ? 30  ASP   B HA   1 c 2 
ATOM   2155 H HB2  . ASP   B 1 18  ? -12.841 -14.99  -0.6    1   26.099 ? 30  ASP   B HB2  1 c 2 
ATOM   2156 H HB3  . ASP   B 1 18  ? -14.118 -15.794 -0.126  1   27.166 ? 30  ASP   B HB3  1 c 2 
ATOM   2157 N N    . ARG   B 1 19  ? -13.211 -12.045 1.968   1   22.872 ? 31  ARG   B N    1 ? 2 
ATOM   2158 C CA   . ARG   B 1 19  ? -12.635 -10.691 2.003   1   23.01  ? 31  ARG   B CA   1 ? 2 
ATOM   2159 C C    . ARG   B 1 19  ? -12.603 -9.981  0.646   1   23.647 ? 31  ARG   B C    1 ? 2 
ATOM   2160 O O    . ARG   B 1 19  ? -11.829 -9.048  0.457   1   22.285 ? 31  ARG   B O    1 ? 2 
ATOM   2161 C CB   . ARG   B 1 19  ? -11.247 -10.693 2.678   1   24.975 ? 31  ARG   B CB   1 ? 2 
ATOM   2162 C CG   . ARG   B 1 19  ? -11.32  -11.024 4.142   1   25.983 ? 31  ARG   B CG   1 ? 2 
ATOM   2163 C CD   . ARG   B 1 19  ? -10.003 -11.119 4.926   1   27.829 ? 31  ARG   B CD   1 ? 2 
ATOM   2164 N NE   . ARG   B 1 19  ? -9.147  -9.977  4.616   1   27.21  ? 31  ARG   B NE   1 ? 2 
ATOM   2165 C CZ   . ARG   B 1 19  ? -9.232  -8.822  5.268   1   28.868 ? 31  ARG   B CZ   1 ? 2 
ATOM   2166 N NH1  . ARG   B 1 19  ? -10.079 -8.652  6.26    1   26.865 ? 31  ARG   B NH1  1 ? 2 
ATOM   2167 N NH2  . ARG   B 1 19  ? -8.379  -7.834  4.962   1   30.532 ? 31  ARG   B NH2  1 ? 2 
ATOM   2168 H H    . ARG   B 1 19  ? -13.9   -12.221 2.54    1   24.073 ? 31  ARG   B H    1 c 2 
ATOM   2169 H HA   . ARG   B 1 19  ? -13.216 -10.148 2.592   1   23.364 ? 31  ARG   B HA   1 c 2 
ATOM   2170 H HB2  . ARG   B 1 19  ? -10.671 -11.349 2.23    1   24.887 ? 31  ARG   B HB2  1 c 2 
ATOM   2171 H HB3  . ARG   B 1 19  ? -10.836 -9.809  2.573   1   24.299 ? 31  ARG   B HB3  1 c 2 
ATOM   2172 H HG2  . ARG   B 1 19  ? -11.886 -10.351 4.578   1   26.023 ? 31  ARG   B HG2  1 c 2 
ATOM   2173 H HG3  . ARG   B 1 19  ? -11.792 -11.88  4.238   1   26.664 ? 31  ARG   B HG3  1 c 2 
ATOM   2174 H HD2  . ARG   B 1 19  ? -10.183 -11.144 5.887   1   28.666 ? 31  ARG   B HD2  1 c 2 
ATOM   2175 H HD3  . ARG   B 1 19  ? -9.54   -11.946 4.683   1   28.182 ? 31  ARG   B HD3  1 c 2 
ATOM   2176 H HE   . ARG   B 1 19  ? -8.559  -10.058 3.979   1   27.477 ? 31  ARG   B HE   1 c 2 
ATOM   2177 H HH11 . ARG   B 1 19  ? -10.949 -8.653  6.1     1   27.017 ? 31  ARG   B HH11 1 c 2 
ATOM   2178 H HH12 . ARG   B 1 19  ? -9.775  -8.537  7.082   1   28.69  ? 31  ARG   B HH12 1 c 2 
ATOM   2179 H HH21 . ARG   B 1 19  ? -7.772  -7.952  4.33    1   29.882 ? 31  ARG   B HH21 1 c 2 
ATOM   2180 H HH22 . ARG   B 1 19  ? -8.425  -7.065  5.396   1   30.23  ? 31  ARG   B HH22 1 c 2 
ATOM   2181 N N    . GLY   B 1 20  ? -13.525 -10.364 -0.25   1   21.804 ? 32  GLY   B N    1 ? 2 
ATOM   2182 C CA   . GLY   B 1 20  ? -13.621 -9.878  -1.589  1   23.373 ? 32  GLY   B CA   1 ? 2 
ATOM   2183 C C    . GLY   B 1 20  ? -14.141 -8.433  -1.62   1   23.406 ? 32  GLY   B C    1 ? 2 
ATOM   2184 O O    . GLY   B 1 20  ? -13.881 -7.722  -2.573  1   21.145 ? 32  GLY   B O    1 ? 2 
ATOM   2185 H H    . GLY   B 1 20  ? -14.153 -10.97  0.021   1   23.025 ? 32  GLY   B H    1 c 2 
ATOM   2186 H HA2  . GLY   B 1 20  ? -12.735 -9.918  -2.013  1   23.07  ? 32  GLY   B HA2  1 c 2 
ATOM   2187 H HA3  . GLY   B 1 20  ? -14.229 -10.458 -2.098  1   23.047 ? 32  GLY   B HA3  1 c 2 
ATOM   2188 N N    . VAL   B 1 21  ? -14.929 -8.067  -0.62   1   20.565 ? 33  VAL   B N    1 ? 2 
ATOM   2189 C CA   . VAL   B 1 21  ? -15.527 -6.763  -0.479  1   20.114 ? 33  VAL   B CA   1 ? 2 
ATOM   2190 C C    . VAL   B 1 21  ? -15.421 -6.397  1.003   1   20.886 ? 33  VAL   B C    1 ? 2 
ATOM   2191 O O    . VAL   B 1 21  ? -16.073 -7.031  1.839   1   18.529 ? 33  VAL   B O    1 ? 2 
ATOM   2192 C CB   . VAL   B 1 21  ? -16.994 -6.682  -0.948  1   20.586 ? 33  VAL   B CB   1 ? 2 
ATOM   2193 C CG1  . VAL   B 1 21  ? -17.513 -5.258  -0.811  1   22.122 ? 33  VAL   B CG1  1 ? 2 
ATOM   2194 C CG2  . VAL   B 1 21  ? -17.208 -7.208  -2.364  1   22.406 ? 33  VAL   B CG2  1 ? 2 
ATOM   2195 H H    . VAL   B 1 21  ? -15.116 -8.687  0.024   1   21.622 ? 33  VAL   B H    1 c 2 
ATOM   2196 H HA   . VAL   B 1 21  ? -15.001 -6.123  -0.997  1   20.102 ? 33  VAL   B HA   1 c 2 
ATOM   2197 H HB   . VAL   B 1 21  ? -17.523 -7.25   -0.34   1   21.533 ? 33  VAL   B HB   1 c 2 
ATOM   2198 H HG11 . VAL   B 1 21  ? -16.849 -4.636  -1.153  1   21.44  ? 33  VAL   B HG11 1 c 2 
ATOM   2199 H HG12 . VAL   B 1 21  ? -17.687 -5.062  0.125   1   21.956 ? 33  VAL   B HG12 1 c 2 
ATOM   2200 H HG13 . VAL   B 1 21  ? -18.336 -5.161  -1.319  1   21.813 ? 33  VAL   B HG13 1 c 2 
ATOM   2201 H HG21 . VAL   B 1 21  ? -18.142 -7.1    -2.614  1   22.09  ? 33  VAL   B HG21 1 c 2 
ATOM   2202 H HG22 . VAL   B 1 21  ? -16.971 -8.149  -2.401  1   21.998 ? 33  VAL   B HG22 1 c 2 
ATOM   2203 H HG23 . VAL   B 1 21  ? -16.649 -6.709  -2.984  1   21.598 ? 33  VAL   B HG23 1 c 2 
ATOM   2204 N N    . LEU   B 1 22  ? -14.605 -5.369  1.305   1   21.803 ? 34  LEU   B N    1 ? 2 
ATOM   2205 C CA   . LEU   B 1 22  ? -14.389 -4.859  2.664   1   21.603 ? 34  LEU   B CA   1 ? 2 
ATOM   2206 C C    . LEU   B 1 22  ? -14.914 -3.448  2.769   1   20.059 ? 34  LEU   B C    1 ? 2 
ATOM   2207 O O    . LEU   B 1 22  ? -14.726 -2.627  1.854   1   22.205 ? 34  LEU   B O    1 ? 2 
ATOM   2208 C CB   . LEU   B 1 22  ? -12.903 -4.86   2.918   1   20.661 ? 34  LEU   B CB   1 ? 2 
ATOM   2209 C CG   . LEU   B 1 22  ? -12.231 -6.215  2.944   1   21.941 ? 34  LEU   B CG   1 ? 2 
ATOM   2210 C CD1  . LEU   B 1 22  ? -10.737 -6.04   2.968   1   24.322 ? 34  LEU   B CD1  1 ? 2 
ATOM   2211 C CD2  . LEU   B 1 22  ? -12.684 -7.146  4.07    1   22.792 ? 34  LEU   B CD2  1 ? 2 
ATOM   2212 H H    . LEU   B 1 22  ? -14.156 -4.962  0.621   1   21.124 ? 34  LEU   B H    1 c 2 
ATOM   2213 H HA   . LEU   B 1 22  ? -14.846 -5.446  3.313   1   21.574 ? 34  LEU   B HA   1 c 2 
ATOM   2214 H HB2  . LEU   B 1 22  ? -12.473 -4.314  2.22    1   20.997 ? 34  LEU   B HB2  1 c 2 
ATOM   2215 H HB3  . LEU   B 1 22  ? -12.739 -4.417  3.783   1   21.901 ? 34  LEU   B HB3  1 c 2 
ATOM   2216 H HG   . LEU   B 1 22  ? -12.452 -6.671  2.091   1   21.495 ? 34  LEU   B HG   1 c 2 
ATOM   2217 H HD11 . LEU   B 1 22  ? -10.452 -5.573  2.165   1   23.415 ? 34  LEU   B HD11 1 c 2 
ATOM   2218 H HD12 . LEU   B 1 22  ? -10.308 -6.912  3.004   1   24.085 ? 34  LEU   B HD12 1 c 2 
ATOM   2219 H HD13 . LEU   B 1 22  ? -10.483 -5.522  3.75    1   24.476 ? 34  LEU   B HD13 1 c 2 
ATOM   2220 H HD21 . LEU   B 1 22  ? -13.625 -7.355  3.96    1   22.542 ? 34  LEU   B HD21 1 c 2 
ATOM   2221 H HD22 . LEU   B 1 22  ? -12.548 -6.71   4.928   1   23.501 ? 34  LEU   B HD22 1 c 2 
ATOM   2222 H HD23 . LEU   B 1 22  ? -12.166 -7.968  4.04    1   23.117 ? 34  LEU   B HD23 1 c 2 
ATOM   2223 N N    . LYS   B 1 23  ? -15.569 -3.161  3.87    1   20.471 ? 35  LYS   B N    1 ? 2 
ATOM   2224 C CA   . LYS   B 1 23  ? -16.296 -1.912  4.059   1   22.893 ? 35  LYS   B CA   1 ? 2 
ATOM   2225 C C    . LYS   B 1 23  ? -15.959 -1.261  5.397   1   25.96  ? 35  LYS   B C    1 ? 2 
ATOM   2226 O O    . LYS   B 1 23  ? -15.913 -1.928  6.429   1   22.986 ? 35  LYS   B O    1 ? 2 
ATOM   2227 C CB   . LYS   B 1 23  ? -17.802 -2.223  4.106   1   21.904 ? 35  LYS   B CB   1 ? 2 
ATOM   2228 C CG   . LYS   B 1 23  ? -18.722 -0.969  4.276   1   23.311 ? 35  LYS   B CG   1 ? 2 
ATOM   2229 C CD   . LYS   B 1 23  ? -20.217 -1.28   4.378   1   26.493 ? 35  LYS   B CD   1 ? 2 
ATOM   2230 C CE   . LYS   B 1 23  ? -21.111 -0.049  4.441   1   25.713 ? 35  LYS   B CE   1 ? 2 
ATOM   2231 N NZ   . LYS   B 1 23  ? -22.485 -0.322  4.845   1   25.244 ? 35  LYS   B NZ   1 ? 2 
ATOM   2232 H H    . LYS   B 1 23  ? -15.568 -3.768  4.554   1   21.482 ? 35  LYS   B H    1 c 2 
ATOM   2233 H HA   . LYS   B 1 23  ? -16.089 -1.294  3.318   1   22.236 ? 35  LYS   B HA   1 c 2 
ATOM   2234 H HB2  . LYS   B 1 23  ? -18.055 -2.682  3.276   1   21.705 ? 35  LYS   B HB2  1 c 2 
ATOM   2235 H HB3  . LYS   B 1 23  ? -17.975 -2.838  4.851   1   22.883 ? 35  LYS   B HB3  1 c 2 
ATOM   2236 H HG2  . LYS   B 1 23  ? -18.447 -0.488  5.086   1   24.446 ? 35  LYS   B HG2  1 c 2 
ATOM   2237 H HG3  . LYS   B 1 23  ? -18.574 -0.37   3.512   1   23.324 ? 35  LYS   B HG3  1 c 2 
ATOM   2238 H HD2  . LYS   B 1 23  ? -20.478 -1.82   3.601   1   24.927 ? 35  LYS   B HD2  1 c 2 
ATOM   2239 H HD3  . LYS   B 1 23  ? -20.37  -1.824  5.181   1   26.118 ? 35  LYS   B HD3  1 c 2 
ATOM   2240 H HE2  . LYS   B 1 23  ? -20.725 0.588   5.069   1   26.214 ? 35  LYS   B HE2  1 c 2 
ATOM   2241 H HE3  . LYS   B 1 23  ? -21.125 0.375   3.564   1   25.214 ? 35  LYS   B HE3  1 c 2 
ATOM   2242 H HZ1  . LYS   B 1 23  ? -22.489 -0.828  5.597   1   26.27  ? 35  LYS   B HZ1  1 c 2 
ATOM   2243 H HZ2  . LYS   B 1 23  ? -22.914 -0.768  4.184   1   25.416 ? 35  LYS   B HZ2  1 c 2 
ATOM   2244 H HZ3  . LYS   B 1 23  ? -22.917 0.457   5.008   1   26.444 ? 35  LYS   B HZ3  1 c 2 
ATOM   2245 N N    . ILE   B 1 24  ? -15.853 0.061   5.369   1   23.266 ? 36  ILE   B N    1 ? 2 
ATOM   2246 C CA   . ILE   B 1 24  ? -15.863 0.922   6.54    1   24.648 ? 36  ILE   B CA   1 ? 2 
ATOM   2247 C C    . ILE   B 1 24  ? -16.929 1.983   6.347   1   26.498 ? 36  ILE   B C    1 ? 2 
ATOM   2248 O O    . ILE   B 1 24  ? -16.986 2.684   5.324   1   26.188 ? 36  ILE   B O    1 ? 2 
ATOM   2249 C CB   . ILE   B 1 24  ? -14.523 1.601   6.833   1   26.015 ? 36  ILE   B CB   1 ? 2 
ATOM   2250 C CG1  . ILE   B 1 24  ? -13.451 0.557   7.046   1   26.297 ? 36  ILE   B CG1  1 ? 2 
ATOM   2251 C CG2  . ILE   B 1 24  ? -14.621 2.556   8.063   1   30.479 ? 36  ILE   B CG2  1 ? 2 
ATOM   2252 C CD1  . ILE   B 1 24  ? -12.048 1.142   7.259   1   28.828 ? 36  ILE   B CD1  1 ? 2 
ATOM   2253 H H    . ILE   B 1 24  ? -15.763 0.463   4.552   1   23.48  ? 36  ILE   B H    1 c 2 
ATOM   2254 H HA   . ILE   B 1 24  ? -16.103 0.38    7.316   1   25.58  ? 36  ILE   B HA   1 c 2 
ATOM   2255 H HB   . ILE   B 1 24  ? -14.276 2.134   6.05    1   26.077 ? 36  ILE   B HB   1 c 2 
ATOM   2256 H HG12 . ILE   B 1 24  ? -13.689 0.018   7.827   1   27.038 ? 36  ILE   B HG12 1 c 2 
ATOM   2257 H HG13 . ILE   B 1 24  ? -13.428 -0.036  6.267   1   25.416 ? 36  ILE   B HG13 1 c 2 
ATOM   2258 H HG21 . ILE   B 1 24  ? -13.767 2.998   8.204   1   30.453 ? 36  ILE   B HG21 1 c 2 
ATOM   2259 H HG22 . ILE   B 1 24  ? -14.852 2.043   8.856   1   30.279 ? 36  ILE   B HG22 1 c 2 
ATOM   2260 H HG23 . ILE   B 1 24  ? -15.304 3.228   7.905   1   29.881 ? 36  ILE   B HG23 1 c 2 
ATOM   2261 H HD11 . ILE   B 1 24  ? -11.843 1.77    6.54    1   28.206 ? 36  ILE   B HD11 1 c 2 
ATOM   2262 H HD12 . ILE   B 1 24  ? -11.393 0.42    7.255   1   28.333 ? 36  ILE   B HD12 1 c 2 
ATOM   2263 H HD13 . ILE   B 1 24  ? -12.008 1.607   8.116   1   29.715 ? 36  ILE   B HD13 1 c 2 
ATOM   2264 N N    . VAL   B 1 25  ? -17.764 2.136   7.368   1   27.131 ? 37  VAL   B N    1 ? 2 
ATOM   2265 C CA   . VAL   B 1 25  ? -18.747 3.207   7.37    1   28.231 ? 37  VAL   B CA   1 ? 2 
ATOM   2266 C C    . VAL   B 1 25  ? -17.98  4.463   7.794   1   31.674 ? 37  VAL   B C    1 ? 2 
ATOM   2267 O O    . VAL   B 1 25  ? -17.45  4.496   8.883   1   29.781 ? 37  VAL   B O    1 ? 2 
ATOM   2268 C CB   . VAL   B 1 25  ? -19.96  2.974   8.306   1   28.92  ? 37  VAL   B CB   1 ? 2 
ATOM   2269 C CG1  . VAL   B 1 25  ? -20.808 4.213   8.447   1   30.266 ? 37  VAL   B CG1  1 ? 2 
ATOM   2270 C CG2  . VAL   B 1 25  ? -20.773 1.789   7.836   1   29.9   ? 37  VAL   B CG2  1 ? 2 
ATOM   2271 H H    . VAL   B 1 25  ? -17.728 1.565   8.081   1   27.777 ? 37  VAL   B H    1 c 2 
ATOM   2272 H HA   . VAL   B 1 25  ? -19.077 3.332   6.458   1   27.712 ? 37  VAL   B HA   1 c 2 
ATOM   2273 H HB   . VAL   B 1 25  ? -19.599 2.755   9.197   1   30.193 ? 37  VAL   B HB   1 c 2 
ATOM   2274 H HG11 . VAL   B 1 25  ? -20.882 4.656   7.585   1   29.702 ? 37  VAL   B HG11 1 c 2 
ATOM   2275 H HG12 . VAL   B 1 25  ? -20.398 4.818   9.088   1   31.374 ? 37  VAL   B HG12 1 c 2 
ATOM   2276 H HG13 . VAL   B 1 25  ? -21.695 3.966   8.76    1   30.95  ? 37  VAL   B HG13 1 c 2 
ATOM   2277 H HG21 . VAL   B 1 25  ? -21.503 1.629   8.457   1   30.382 ? 37  VAL   B HG21 1 c 2 
ATOM   2278 H HG22 . VAL   B 1 25  ? -20.205 1.001   7.796   1   28.641 ? 37  VAL   B HG22 1 c 2 
ATOM   2279 H HG23 . VAL   B 1 25  ? -21.133 1.973   6.953   1   28.643 ? 37  VAL   B HG23 1 c 2 
ATOM   2280 N N    . LYS   B 1 26  ? -17.975 5.524   6.981   1   30.178 ? 38  LYS   B N    1 ? 2 
ATOM   2281 C CA   . LYS   B 1 26  ? -17.245 6.72    7.366   1   33.015 ? 38  LYS   B CA   1 ? 2 
ATOM   2282 C C    . LYS   B 1 26  ? -18.181 7.778   7.89    1   34.362 ? 38  LYS   B C    1 ? 2 
ATOM   2283 O O    . LYS   B 1 26  ? -17.727 8.663   8.594   1   37.03  ? 38  LYS   B O    1 ? 2 
ATOM   2284 C CB   . LYS   B 1 26  ? -16.45  7.319   6.22    1   33.953 ? 38  LYS   B CB   1 ? 2 
ATOM   2285 C CG   . LYS   B 1 26  ? -15.384 6.353   5.699   1   34.137 ? 38  LYS   B CG   1 ? 2 
ATOM   2286 C CD   . LYS   B 1 26  ? -14.326 5.919   6.733   1   44.122 ? 38  LYS   B CD   1 ? 2 
ATOM   2287 C CE   . LYS   B 1 26  ? -13.117 6.778   6.826   1   44.006 ? 38  LYS   B CE   1 ? 2 
ATOM   2288 N NZ   . LYS   B 1 26  ? -12.39  6.37    8.021   1   48.103 ? 38  LYS   B NZ   1 ? 2 
ATOM   2289 H H    . LYS   B 1 26  ? -18.417 5.502   6.182   1   30.101 ? 38  LYS   B H    1 c 2 
ATOM   2290 H HA   . LYS   B 1 26  ? -16.617 6.484   8.092   1   33.545 ? 38  LYS   B HA   1 c 2 
ATOM   2291 H HB2  . LYS   B 1 26  ? -17.059 7.549   5.485   1   33.619 ? 38  LYS   B HB2  1 c 2 
ATOM   2292 H HB3  . LYS   B 1 26  ? -16.012 8.142   6.523   1   35.355 ? 38  LYS   B HB3  1 c 2 
ATOM   2293 H HG2  . LYS   B 1 26  ? -15.835 5.551   5.355   1   34.298 ? 38  LYS   B HG2  1 c 2 
ATOM   2294 H HG3  . LYS   B 1 26  ? -14.926 6.779   4.941   1   35.6   ? 38  LYS   B HG3  1 c 2 
ATOM   2295 H HD2  . LYS   B 1 26  ? -14.748 5.877   7.616   1   41.949 ? 38  LYS   B HD2  1 c 2 
ATOM   2296 H HD3  . LYS   B 1 26  ? -14.042 5.006   6.51    1   40.279 ? 38  LYS   B HD3  1 c 2 
ATOM   2297 H HE2  . LYS   B 1 26  ? -12.552 6.658   6.042   1   44.423 ? 38  LYS   B HE2  1 c 2 
ATOM   2298 H HE3  . LYS   B 1 26  ? -13.369 7.715   6.898   1   46.175 ? 38  LYS   B HE3  1 c 2 
ATOM   2299 H HZ1  . LYS   B 1 26  ? -12.24  5.476   8.004   1   46.193 ? 38  LYS   B HZ1  1 c 2 
ATOM   2300 H HZ2  . LYS   B 1 26  ? -12.87  6.578   8.761   1   47.94  ? 38  LYS   B HZ2  1 c 2 
ATOM   2301 H HZ3  . LYS   B 1 26  ? -11.595 6.802   8.054   1   48.196 ? 38  LYS   B HZ3  1 c 2 
ATOM   2302 N N    . ARG   B 1 27  ? -19.439 7.821   7.428   1   34.264 ? 39  ARG   B N    1 ? 2 
ATOM   2303 C CA   . ARG   B 1 27  ? -20.408 8.759   7.976   1   34.789 ? 39  ARG   B CA   1 ? 2 
ATOM   2304 C C    . ARG   B 1 27  ? -21.766 8.062   8.047   1   37.671 ? 39  ARG   B C    1 ? 2 
ATOM   2305 O O    . ARG   B 1 27  ? -22.238 7.474   7.035   1   34.659 ? 39  ARG   B O    1 ? 2 
ATOM   2306 C CB   . ARG   B 1 27  ? -20.54  10.048  7.148   1   39.402 ? 39  ARG   B CB   1 ? 2 
ATOM   2307 C CG   . ARG   B 1 27  ? -21.517 11.08   7.753   1   45.526 ? 39  ARG   B CG   1 ? 2 
ATOM   2308 C CD   . ARG   B 1 27  ? -22.755 11.288  6.812   1   51.261 ? 39  ARG   B CD   1 ? 2 
ATOM   2309 N NE   . ARG   B 1 27  ? -22.352 12.234  5.762   1   52.261 ? 39  ARG   B NE   1 ? 2 
ATOM   2310 C CZ   . ARG   B 1 27  ? -22.842 12.66   4.584   1   45.14  ? 39  ARG   B CZ   1 ? 2 
ATOM   2311 N NH1  . ARG   B 1 27  ? -23.689 12.08   3.758   1   42.124 ? 39  ARG   B NH1  1 ? 2 
ATOM   2312 N NH2  . ARG   B 1 27  ? -22.324 13.779  4.155   1   48.826 ? 39  ARG   B NH2  1 ? 2 
ATOM   2313 H H    . ARG   B 1 27  ? -19.696 7.265   6.75    1   32.678 ? 39  ARG   B H    1 c 2 
ATOM   2314 H HA   . ARG   B 1 27  ? -20.127 8.999   8.895   1   37.462 ? 39  ARG   B HA   1 c 2 
ATOM   2315 H HB2  . ARG   B 1 27  ? -19.655 10.463  7.067   1   39.572 ? 39  ARG   B HB2  1 c 2 
ATOM   2316 H HB3  . ARG   B 1 27  ? -20.843 9.814   6.245   1   38.298 ? 39  ARG   B HB3  1 c 2 
ATOM   2317 H HG2  . ARG   B 1 27  ? -21.827 10.766  8.63    1   46.281 ? 39  ARG   B HG2  1 c 2 
ATOM   2318 H HG3  . ARG   B 1 27  ? -21.054 11.936  7.879   1   47.038 ? 39  ARG   B HG3  1 c 2 
ATOM   2319 H HD2  . ARG   B 1 27  ? -23.028 10.44   6.408   1   48.479 ? 39  ARG   B HD2  1 c 2 
ATOM   2320 H HD3  . ARG   B 1 27  ? -23.509 11.656  7.316   1   51.443 ? 39  ARG   B HD3  1 c 2 
ATOM   2321 H HE   . ARG   B 1 27  ? -21.594 12.629  5.932   1   50.565 ? 39  ARG   B HE   1 c 2 
ATOM   2322 H HH11 . ARG   B 1 27  ? -23.686 11.2    3.675   1   41.324 ? 39  ARG   B HH11 1 c 2 
ATOM   2323 H HH12 . ARG   B 1 27  ? -24.257 12.572  3.292   1   43.712 ? 39  ARG   B HH12 1 c 2 
ATOM   2324 H HH21 . ARG   B 1 27  ? -22.284 14.48   4.693   1   49.718 ? 39  ARG   B HH21 1 c 2 
ATOM   2325 H HH22 . ARG   B 1 27  ? -22.021 13.835  3.326   1   47.618 ? 39  ARG   B HH22 1 c 2 
ATOM   2326 N N    . VAL   B 1 28  ? -22.347 7.998   9.247   1   35.144 ? 40  VAL   B N    1 ? 2 
ATOM   2327 C CA   . VAL   B 1 28  ? -23.594 7.267   9.429   1   38.639 ? 40  VAL   B CA   1 ? 2 
ATOM   2328 C C    . VAL   B 1 28  ? -24.759 7.963   8.706   1   40.612 ? 40  VAL   B C    1 ? 2 
ATOM   2329 O O    . VAL   B 1 28  ? -24.858 9.187   8.724   1   40.482 ? 40  VAL   B O    1 ? 2 
ATOM   2330 C CB   . VAL   B 1 28  ? -23.894 6.949   10.904  1   44.143 ? 40  VAL   B CB   1 ? 2 
ATOM   2331 C CG1  . VAL   B 1 28  ? -25.264 6.33    11.089  1   49.274 ? 40  VAL   B CG1  1 ? 2 
ATOM   2332 C CG2  . VAL   B 1 28  ? -22.869 5.983   11.463  1   41.645 ? 40  VAL   B CG2  1 ? 2 
ATOM   2333 H H    . VAL   B 1 28  ? -21.965 8.415   9.965   1   37.967 ? 40  VAL   B H    1 c 2 
ATOM   2334 H HA   . VAL   B 1 28  ? -23.47  6.405   8.988   1   37.376 ? 40  VAL   B HA   1 c 2 
ATOM   2335 H HB   . VAL   B 1 28  ? -23.851 7.794   11.411  1   45.34  ? 40  VAL   B HB   1 c 2 
ATOM   2336 H HG11 . VAL   B 1 28  ? -25.447 5.718   10.358  1   46.462 ? 40  VAL   B HG11 1 c 2 
ATOM   2337 H HG12 . VAL   B 1 28  ? -25.937 7.029   11.102  1   49.081 ? 40  VAL   B HG12 1 c 2 
ATOM   2338 H HG13 . VAL   B 1 28  ? -25.291 5.843   11.93   1   48.754 ? 40  VAL   B HG13 1 c 2 
ATOM   2339 H HG21 . VAL   B 1 28  ? -23.019 5.864   12.416  1   43.67  ? 40  VAL   B HG21 1 c 2 
ATOM   2340 H HG22 . VAL   B 1 28  ? -21.975 6.337   11.32   1   41.671 ? 40  VAL   B HG22 1 c 2 
ATOM   2341 H HG23 . VAL   B 1 28  ? -22.952 5.125   11.013  1   40.841 ? 40  VAL   B HG23 1 c 2 
ATOM   2342 N N    . GLY   B 1 29  ? -25.627 7.146   8.075   1   42.758 ? 41  GLY   B N    1 ? 2 
ATOM   2343 C CA   . GLY   B 1 29  ? -26.848 7.596   7.419   1   39.612 ? 41  GLY   B CA   1 ? 2 
ATOM   2344 C C    . GLY   B 1 29  ? -28.043 7.544   8.358   1   45.181 ? 41  GLY   B C    1 ? 2 
ATOM   2345 O O    . GLY   B 1 29  ? -27.879 7.422   9.575   1   41.009 ? 41  GLY   B O    1 ? 2 
ATOM   2346 H H    . GLY   B 1 29  ? -25.439 6.251   8.056   1   40.026 ? 41  GLY   B H    1 c 2 
ATOM   2347 H HA2  . GLY   B 1 29  ? -26.722 8.52    7.097   1   41.731 ? 41  GLY   B HA2  1 c 2 
ATOM   2348 H HA3  . GLY   B 1 29  ? -27.021 7.023   6.635   1   40.095 ? 41  GLY   B HA3  1 c 2 
ATOM   2349 N N    . ASN   B 1 30  ? -29.254 7.704   7.784   1   48.309 ? 42  ASN   B N    1 ? 2 
ATOM   2350 C CA   . ASN   B 1 30  ? -30.503 7.794   8.539   1   51.022 ? 42  ASN   B CA   1 ? 2 
ATOM   2351 C C    . ASN   B 1 30  ? -31.419 6.624   8.17    1   51.201 ? 42  ASN   B C    1 ? 2 
ATOM   2352 O O    . ASN   B 1 30  ? -31.367 6.167   7.037   1   47.062 ? 42  ASN   B O    1 ? 2 
ATOM   2353 C CB   . ASN   B 1 30  ? -31.342 8.994   8.12    1   54.868 ? 42  ASN   B CB   1 ? 2 
ATOM   2354 C CG   . ASN   B 1 30  ? -30.444 10.125  7.708   1   65.364 ? 42  ASN   B CG   1 ? 2 
ATOM   2355 O OD1  . ASN   B 1 30  ? -30.198 10.347  6.504   1   61.008 ? 42  ASN   B OD1  1 ? 2 
ATOM   2356 N ND2  . ASN   B 1 30  ? -29.876 10.785  8.707   1   71.811 ? 42  ASN   B ND2  1 ? 2 
ATOM   2357 H H    . ASN   B 1 30  ? -29.298 7.748   6.872   1   47.02  ? 42  ASN   B H    1 c 2 
ATOM   2358 H HA   . ASN   B 1 30  ? -30.331 7.83    9.506   1   52.265 ? 42  ASN   B HA   1 c 2 
ATOM   2359 H HB2  . ASN   B 1 30  ? -31.923 8.75    7.372   1   56.509 ? 42  ASN   B HB2  1 c 2 
ATOM   2360 H HB3  . ASN   B 1 30  ? -31.905 9.279   8.868   1   58.737 ? 42  ASN   B HB3  1 c 2 
ATOM   2361 H HD21 . ASN   B 1 30  ? -29.359 11.485  8.536   1   70.036 ? 42  ASN   B HD21 1 c 2 
ATOM   2362 H HD22 . ASN   B 1 30  ? -30.012 10.528  9.546   1   70.669 ? 42  ASN   B HD22 1 c 2 
ATOM   2363 N N    . GLY   B 1 31  ? -32.354 6.286   9.063   1   55.947 ? 43  GLY   B N    1 ? 2 
ATOM   2364 C CA   . GLY   B 1 31  ? -33.455 5.41    8.706   1   58.969 ? 43  GLY   B CA   1 ? 2 
ATOM   2365 C C    . GLY   B 1 31  ? -33.041 3.95    8.779   1   56.001 ? 43  GLY   B C    1 ? 2 
ATOM   2366 O O    . GLY   B 1 31  ? -31.866 3.647   8.88    1   63.658 ? 43  GLY   B O    1 ? 2 
ATOM   2367 H H    . GLY   B 1 31  ? -32.304 6.609   9.916   1   57.008 ? 43  GLY   B H    1 c 2 
ATOM   2368 H HA2  . GLY   B 1 31  ? -34.207 5.571   9.322   1   60.455 ? 43  GLY   B HA2  1 c 2 
ATOM   2369 H HA3  . GLY   B 1 31  ? -33.759 5.624   7.792   1   57.739 ? 43  GLY   B HA3  1 c 2 
ATOM   2370 N N    . GLU   B 1 32  ? -34.046 3.053   8.748   1   60.074 ? 44  GLU   B N    1 ? 2 
ATOM   2371 C CA   . GLU   B 1 32  ? -33.86  1.607   8.882   1   63.337 ? 44  GLU   B CA   1 ? 2 
ATOM   2372 C C    . GLU   B 1 32  ? -33.693 0.945   7.487   1   53.775 ? 44  GLU   B C    1 ? 2 
ATOM   2373 O O    . GLU   B 1 32  ? -33.178 -0.154  7.362   1   54.452 ? 44  GLU   B O    1 ? 2 
ATOM   2374 C CB   . GLU   B 1 32  ? -35.011 1.149   9.804   1   61.685 ? 44  GLU   B CB   1 ? 2 
ATOM   2375 H H    . GLU   B 1 32  ? -34.897 3.368   8.629   1   61.923 ? 44  GLU   B H    1 c 2 
ATOM   2376 H HA   . GLU   B 1 32  ? -33.018 1.457   9.384   1   59.115 ? 44  GLU   B HA   1 c 2 
ATOM   2377 H HB2  . GLU   B 1 32  ? -34.501 0.645   10.616  0   30     ? 44  GLU   B HB2  1 c 2 
ATOM   2378 H HB3  . GLU   B 1 32  ? -35.756 1.363   9.451   0   30     ? 44  GLU   B HB3  1 c 2 
ATOM   2379 N N    . GLU   B 1 33  ? -34.21  1.56    6.418   1   51.581 ? 45  GLU   B N    1 ? 2 
ATOM   2380 C CA   . GLU   B 1 33  ? -34.265 0.951   5.1     1   49.805 ? 45  GLU   B CA   1 ? 2 
ATOM   2381 C C    . GLU   B 1 33  ? -32.851 0.94    4.51    1   49.735 ? 45  GLU   B C    1 ? 2 
ATOM   2382 O O    . GLU   B 1 33  ? -32.113 1.909   4.583   1   47.143 ? 45  GLU   B O    1 ? 2 
ATOM   2383 C CB   . GLU   B 1 33  ? -35.292 1.689   4.227   1   57.14  ? 45  GLU   B CB   1 ? 2 
ATOM   2384 H H    . GLU   B 1 33  ? -34.543 2.405   6.518   1   53.125 ? 45  GLU   B H    1 c 2 
ATOM   2385 H HA   . GLU   B 1 33  ? -34.569 0.014   5.206   1   52.125 ? 45  GLU   B HA   1 c 2 
ATOM   2386 H HB2  . GLU   B 1 33  ? -34.734 2.057   3.615   0   30     ? 45  GLU   B HB2  1 c 2 
ATOM   2387 H HB3  . GLU   B 1 33  ? -36.13  1.342   4.61    0   30     ? 45  GLU   B HB3  1 c 2 
ATOM   2388 N N    . THR   B 1 34  ? -32.473 -0.175  3.888   1   48.66  ? 46  THR   B N    1 ? 2 
ATOM   2389 C CA   . THR   B 1 34  ? -31.369 -0.19   2.947   1   43.392 ? 46  THR   B CA   1 ? 2 
ATOM   2390 C C    . THR   B 1 34  ? -31.97  -0.644  1.621   1   45.553 ? 46  THR   B C    1 ? 2 
ATOM   2391 O O    . THR   B 1 34  ? -33.088 -1.165  1.602   1   53.212 ? 46  THR   B O    1 ? 2 
ATOM   2392 C CB   . THR   B 1 34  ? -30.257 -1.121  3.414   1   43.262 ? 46  THR   B CB   1 ? 2 
ATOM   2393 O OG1  . THR   B 1 34  ? -30.955 -2.335  3.56    1   40.88  ? 46  THR   B OG1  1 ? 2 
ATOM   2394 C CG2  . THR   B 1 34  ? -29.668 -0.751  4.759   1   44.277 ? 46  THR   B CG2  1 ? 2 
ATOM   2395 H H    . THR   B 1 34  ? -32.917 -0.956  4.058   1   48.89  ? 46  THR   B H    1 c 2 
ATOM   2396 H HA   . THR   B 1 34  ? -31.012 0.719   2.852   1   43.997 ? 46  THR   B HA   1 c 2 
ATOM   2397 H HB   . THR   B 1 34  ? -29.554 -1.21   2.728   1   40.714 ? 46  THR   B HB   1 c 2 
ATOM   2398 H HG1  . THR   B 1 34  ? -31.541 -2.325  4.251   0   30     ? 46  THR   B HG1  1 c 2 
ATOM   2399 H HG21 . THR   B 1 34  ? -28.913 -1.331  4.953   1   42.936 ? 46  THR   B HG21 1 c 2 
ATOM   2400 H HG22 . THR   B 1 34  ? -30.343 -0.857  5.45    1   45.684 ? 46  THR   B HG22 1 c 2 
ATOM   2401 H HG23 . THR   B 1 34  ? -29.369 0.173   4.739   1   43.575 ? 46  THR   B HG23 1 c 2 
ATOM   2402 N N    . PRO   B 1 35  ? -31.353 -0.327  0.47    1   41.786 ? 47  PRO   B N    1 ? 2 
ATOM   2403 C CA   . PRO   B 1 35  ? -31.919 -0.696  -0.81   1   46.421 ? 47  PRO   B CA   1 ? 2 
ATOM   2404 C C    . PRO   B 1 35  ? -32.112 -2.21   -1.011  1   51.028 ? 47  PRO   B C    1 ? 2 
ATOM   2405 O O    . PRO   B 1 35  ? -31.303 -3.026  -0.546  1   39.092 ? 47  PRO   B O    1 ? 2 
ATOM   2406 C CB   . PRO   B 1 35  ? -30.949 -0.143  -1.82   1   42.06  ? 47  PRO   B CB   1 ? 2 
ATOM   2407 C CG   . PRO   B 1 35  ? -29.878 0.676   -1.071  1   42.241 ? 47  PRO   B CG   1 ? 2 
ATOM   2408 C CD   . PRO   B 1 35  ? -30.075 0.402   0.378   1   40.372 ? 47  PRO   B CD   1 ? 2 
ATOM   2409 H HA   . PRO   B 1 35  ? -32.781 -0.244  -0.916  1   47.541 ? 47  PRO   B HA   1 c 2 
ATOM   2410 H HB2  . PRO   B 1 35  ? -30.53  -0.868  -2.316  1   42.231 ? 47  PRO   B HB2  1 c 2 
ATOM   2411 H HB3  . PRO   B 1 35  ? -31.418 0.423   -2.465  1   43.994 ? 47  PRO   B HB3  1 c 2 
ATOM   2412 H HG2  . PRO   B 1 35  ? -28.981 0.404   -1.35   1   39.81  ? 47  PRO   B HG2  1 c 2 
ATOM   2413 H HG3  . PRO   B 1 35  ? -29.985 1.63    -1.254  1   41.814 ? 47  PRO   B HG3  1 c 2 
ATOM   2414 H HD2  . PRO   B 1 35  ? -29.345 -0.144  0.73    1   39.572 ? 47  PRO   B HD2  1 c 2 
ATOM   2415 H HD3  . PRO   B 1 35  ? -30.12  1.236   0.883   1   41.195 ? 47  PRO   B HD3  1 c 2 
ATOM   2416 N N    . MET   B 1 36  ? -33.244 -2.552  -1.645  1   50.186 ? 48  MET   B N    1 ? 2 
ATOM   2417 C CA   . MET   B 1 36  ? -33.576 -3.917  -2.031  1   50.723 ? 48  MET   B CA   1 ? 2 
ATOM   2418 C C    . MET   B 1 36  ? -33.127 -4.035  -3.49   1   49.39  ? 48  MET   B C    1 ? 2 
ATOM   2419 O O    . MET   B 1 36  ? -33.145 -3.041  -4.229  1   46.758 ? 48  MET   B O    1 ? 2 
ATOM   2420 C CB   . MET   B 1 36  ? -35.096 -4.116  -1.981  1   59.112 ? 48  MET   B CB   1 ? 2 
ATOM   2421 C CG   . MET   B 1 36  ? -35.857 -4.007  -0.618  1   55.627 ? 48  MET   B CG   1 ? 2 
ATOM   2422 S SD   . MET   B 1 36  ? -35.366 -5.317  0.526   1   55.984 ? 48  MET   B SD   1 ? 2 
ATOM   2423 C CE   . MET   B 1 36  ? -35.704 -4.458  2.075   1   60.249 ? 48  MET   B CE   1 ? 2 
ATOM   2424 H H    . MET   B 1 36  ? -33.846 -1.893  -1.842  1   51.954 ? 48  MET   B H    1 c 2 
ATOM   2425 H HA   . MET   B 1 36  ? -33.104 -4.569  -1.454  1   50.749 ? 48  MET   B HA   1 c 2 
ATOM   2426 H HB2  . MET   B 1 36  ? -35.494 -3.46   -2.591  1   57.381 ? 48  MET   B HB2  1 c 2 
ATOM   2427 H HB3  . MET   B 1 36  ? -35.287 -5.001  -2.357  1   57.315 ? 48  MET   B HB3  1 c 2 
ATOM   2428 H HG2  . MET   B 1 36  ? -35.67  -3.139  -0.207  1   56.388 ? 48  MET   B HG2  1 c 2 
ATOM   2429 H HG3  . MET   B 1 36  ? -36.821 -4.067  -0.775  1   59.266 ? 48  MET   B HG3  1 c 2 
ATOM   2430 H HE1  . MET   B 1 36  ? -35.482 -5.04   2.824   1   59.652 ? 48  MET   B HE1  1 c 2 
ATOM   2431 H HE2  . MET   B 1 36  ? -35.165 -3.647  2.121   1   57.951 ? 48  MET   B HE2  1 c 2 
ATOM   2432 H HE3  . MET   B 1 36  ? -36.65  -4.222  2.115   1   61.684 ? 48  MET   B HE3  1 c 2 
ATOM   2433 N N    . ILE   B 1 37  ? -32.894 -5.25   -3.986  1   47.265 ? 49  ILE   B N    1 ? 2 
ATOM   2434 C CA   . ILE   B 1 37  ? -32.658 -5.443  -5.406  1   41.055 ? 49  ILE   B CA   1 ? 2 
ATOM   2435 C C    . ILE   B 1 37  ? -33.817 -4.912  -6.255  1   40.542 ? 49  ILE   B C    1 ? 2 
ATOM   2436 O O    . ILE   B 1 37  ? -34.993 -5.123  -5.942  1   42.213 ? 49  ILE   B O    1 ? 2 
ATOM   2437 C CB   . ILE   B 1 37  ? -32.504 -6.948  -5.689  1   47.768 ? 49  ILE   B CB   1 ? 2 
ATOM   2438 C CG1  . ILE   B 1 37  ? -31.289 -7.498  -4.996  1   49.567 ? 49  ILE   B CG1  1 ? 2 
ATOM   2439 C CG2  . ILE   B 1 37  ? -32.534 -7.244  -7.213  1   44.329 ? 49  ILE   B CG2  1 ? 2 
ATOM   2440 C CD1  . ILE   B 1 37  ? -31.138 -8.996  -5.208  1   54.548 ? 49  ILE   B CD1  1 ? 2 
ATOM   2441 H H    . ILE   B 1 37  ? -32.899 -5.974  -3.428  1   46.507 ? 49  ILE   B H    1 c 2 
ATOM   2442 H HA   . ILE   B 1 37  ? -31.833 -4.983  -5.658  1   40.855 ? 49  ILE   B HA   1 c 2 
ATOM   2443 H HB   . ILE   B 1 37  ? -33.281 -7.393  -5.295  1   48.083 ? 49  ILE   B HB   1 c 2 
ATOM   2444 H HG12 . ILE   B 1 37  ? -30.492 -7.044  -5.338  1   47.851 ? 49  ILE   B HG12 1 c 2 
ATOM   2445 H HG13 . ILE   B 1 37  ? -31.353 -7.318  -4.036  1   49.282 ? 49  ILE   B HG13 1 c 2 
ATOM   2446 H HG21 . ILE   B 1 37  ? -32.29  -8.17   -7.374  1   45.646 ? 49  ILE   B HG21 1 c 2 
ATOM   2447 H HG22 . ILE   B 1 37  ? -31.903 -6.662  -7.67   1   44.229 ? 49  ILE   B HG22 1 c 2 
ATOM   2448 H HG23 . ILE   B 1 37  ? -33.427 -7.086  -7.561  1   47.445 ? 49  ILE   B HG23 1 c 2 
ATOM   2449 H HD11 . ILE   B 1 37  ? -32.01  -9.427  -5.134  1   55.126 ? 49  ILE   B HD11 1 c 2 
ATOM   2450 H HD12 . ILE   B 1 37  ? -30.54  -9.359  -4.527  1   52.138 ? 49  ILE   B HD12 1 c 2 
ATOM   2451 H HD13 . ILE   B 1 37  ? -30.763 -9.171  -6.092  1   52.672 ? 49  ILE   B HD13 1 c 2 
ATOM   2452 N N    . GLY   B 1 38  ? -33.502 -4.333  -7.428  1   40.163 ? 50  GLY   B N    1 ? 2 
ATOM   2453 C CA   . GLY   B 1 38  ? -34.48  -3.652  -8.274  1   46.788 ? 50  GLY   B CA   1 ? 2 
ATOM   2454 C C    . GLY   B 1 38  ? -34.634 -2.142  -8.017  1   46.719 ? 50  GLY   B C    1 ? 2 
ATOM   2455 O O    . GLY   B 1 38  ? -35.19  -1.443  -8.865  1   50.303 ? 50  GLY   B O    1 ? 2 
ATOM   2456 H H    . GLY   B 1 38  ? -32.634 -4.367  -7.712  1   39.487 ? 50  GLY   B H    1 c 2 
ATOM   2457 H HA2  . GLY   B 1 38  ? -34.218 -3.786  -9.216  1   45.808 ? 50  GLY   B HA2  1 c 2 
ATOM   2458 H HA3  . GLY   B 1 38  ? -35.357 -4.085  -8.152  1   47.607 ? 50  GLY   B HA3  1 c 2 
ATOM   2459 N N    . ASP   B 1 39  ? -34.237 -1.68   -6.836  1   45.925 ? 51  ASP   B N    1 ? 2 
ATOM   2460 C CA   . ASP   B 1 39  ? -34.41  -0.281  -6.437  1   46.285 ? 51  ASP   B CA   1 ? 2 
ATOM   2461 C C    . ASP   B 1 39  ? -33.559 0.613   -7.36   1   41.874 ? 51  ASP   B C    1 ? 2 
ATOM   2462 O O    . ASP   B 1 39  ? -32.493 0.219   -7.817  1   44.229 ? 51  ASP   B O    1 ? 2 
ATOM   2463 C CB   . ASP   B 1 39  ? -34.026 -0.048  -4.969  1   44.389 ? 51  ASP   B CB   1 ? 2 
ATOM   2464 C CG   . ASP   B 1 39  ? -35.029 -0.485  -3.905  1   47.697 ? 51  ASP   B CG   1 ? 2 
ATOM   2465 O OD1  . ASP   B 1 39  ? -36.104 -0.99   -4.281  1   45.494 ? 51  ASP   B OD1  1 ? 2 
ATOM   2466 O OD2  . ASP   B 1 39  ? -34.746 -0.332  -2.684  1   50.878 ? 51  ASP   B OD2  1 ? 2 
ATOM   2467 H H    . ASP   B 1 39  ? -33.838 -2.252  -6.246  1   44.512 ? 51  ASP   B H    1 c 2 
ATOM   2468 H HA   . ASP   B 1 39  ? -35.357 -0.041  -6.553  1   47.661 ? 51  ASP   B HA   1 c 2 
ATOM   2469 H HB2  . ASP   B 1 39  ? -33.179 -0.509  -4.793  1   42.996 ? 51  ASP   B HB2  1 c 2 
ATOM   2470 H HB3  . ASP   B 1 39  ? -33.867 0.911   -4.843  1   44.737 ? 51  ASP   B HB3  1 c 2 
ATOM   2471 N N    . LYS   B 1 40  ? -34.017 1.846   -7.599  1   43.019 ? 52  LYS   B N    1 ? 2 
ATOM   2472 C CA   . LYS   B 1 40  ? -33.279 2.846   -8.353  1   40.67  ? 52  LYS   B CA   1 ? 2 
ATOM   2473 C C    . LYS   B 1 40  ? -32.454 3.59    -7.316  1   39.096 ? 52  LYS   B C    1 ? 2 
ATOM   2474 O O    . LYS   B 1 40  ? -32.993 4.039   -6.314  1   42.607 ? 52  LYS   B O    1 ? 2 
ATOM   2475 C CB   . LYS   B 1 40  ? -34.15  3.87    -9.109  1   44.741 ? 52  LYS   B CB   1 ? 2 
ATOM   2476 H H    . LYS   B 1 40  ? -34.838 2.075   -7.268  1   44.289 ? 52  LYS   B H    1 c 2 
ATOM   2477 H HA   . LYS   B 1 40  ? -32.674 2.388   -8.99   1   40.439 ? 52  LYS   B HA   1 c 2 
ATOM   2478 H HB2  . LYS   B 1 40  ? -33.616 4.449   -9.607  0   30     ? 52  LYS   B HB2  1 c 2 
ATOM   2479 H HB3  . LYS   B 1 40  ? -35.127 3.604   -8.932  0   30     ? 52  LYS   B HB3  1 c 2 
ATOM   2480 N N    . VAL   B 1 41  ? -31.126 3.597   -7.484  1   38.821 ? 53  VAL   B N    1 ? 2 
ATOM   2481 C CA   . VAL   B 1 41  ? -30.231 4.132   -6.462  1   36.254 ? 53  VAL   B CA   1 ? 2 
ATOM   2482 C C    . VAL   B 1 41  ? -29.427 5.302   -7.043  1   34.837 ? 53  VAL   B C    1 ? 2 
ATOM   2483 O O    . VAL   B 1 41  ? -28.908 5.237   -8.178  1   35.472 ? 53  VAL   B O    1 ? 2 
ATOM   2484 C CB   . VAL   B 1 41  ? -29.295 2.988   -6.01   1   34.363 ? 53  VAL   B CB   1 ? 2 
ATOM   2485 C CG1  . VAL   B 1 41  ? -28.34  3.492   -4.969  1   37.415 ? 53  VAL   B CG1  1 ? 2 
ATOM   2486 C CG2  . VAL   B 1 41  ? -30.058 1.818   -5.433  1   41.074 ? 53  VAL   B CG2  1 ? 2 
ATOM   2487 H H    . VAL   B 1 41  ? -30.765 3.263   -8.255  1   37.881 ? 53  VAL   B H    1 c 2 
ATOM   2488 H HA   . VAL   B 1 41  ? -30.756 4.442   -5.699  1   36.88  ? 53  VAL   B HA   1 c 2 
ATOM   2489 H HB   . VAL   B 1 41  ? -28.785 2.686   -6.797  1   35.646 ? 53  VAL   B HB   1 c 2 
ATOM   2490 H HG11 . VAL   B 1 41  ? -28.803 4.106   -4.375  1   36.693 ? 53  VAL   B HG11 1 c 2 
ATOM   2491 H HG12 . VAL   B 1 41  ? -27.603 3.956   -5.401  1   35.481 ? 53  VAL   B HG12 1 c 2 
ATOM   2492 H HG13 . VAL   B 1 41  ? -27.993 2.745   -4.455  1   34.795 ? 53  VAL   B HG13 1 c 2 
ATOM   2493 H HG21 . VAL   B 1 41  ? -29.432 1.137   -5.134  1   37.484 ? 53  VAL   B HG21 1 c 2 
ATOM   2494 H HG22 . VAL   B 1 41  ? -30.641 1.442   -6.113  1   39.952 ? 53  VAL   B HG22 1 c 2 
ATOM   2495 H HG23 . VAL   B 1 41  ? -30.592 2.119   -4.679  1   39.629 ? 53  VAL   B HG23 1 c 2 
ATOM   2496 N N    . TYR   B 1 42  ? -29.225 6.317   -6.188  1   35.662 ? 54  TYR   B N    1 ? 2 
ATOM   2497 C CA   . TYR   B 1 42  ? -28.593 7.599   -6.51   1   35.365 ? 54  TYR   B CA   1 ? 2 
ATOM   2498 C C    . TYR   B 1 42  ? -27.402 7.783   -5.576  1   33.942 ? 54  TYR   B C    1 ? 2 
ATOM   2499 O O    . TYR   B 1 42  ? -27.591 7.806   -4.367  1   34.46  ? 54  TYR   B O    1 ? 2 
ATOM   2500 C CB   . TYR   B 1 42  ? -29.523 8.777   -6.252  1   39.741 ? 54  TYR   B CB   1 ? 2 
ATOM   2501 C CG   . TYR   B 1 42  ? -30.797 8.76    -7.104  1   43.761 ? 54  TYR   B CG   1 ? 2 
ATOM   2502 C CD1  . TYR   B 1 42  ? -31.866 7.903   -6.821  1   44.741 ? 54  TYR   B CD1  1 ? 2 
ATOM   2503 C CD2  . TYR   B 1 42  ? -30.915 9.63    -8.168  1   47.188 ? 54  TYR   B CD2  1 ? 2 
ATOM   2504 C CE1  . TYR   B 1 42  ? -33.026 7.919   -7.598  1   49.483 ? 54  TYR   B CE1  1 ? 2 
ATOM   2505 C CE2  . TYR   B 1 42  ? -32.065 9.674   -8.932  1   50.796 ? 54  TYR   B CE2  1 ? 2 
ATOM   2506 C CZ   . TYR   B 1 42  ? -33.104 8.797   -8.664  1   53.504 ? 54  TYR   B CZ   1 ? 2 
ATOM   2507 O OH   . TYR   B 1 42  ? -34.213 8.942   -9.459  1   65.229 ? 54  TYR   B OH   1 ? 2 
ATOM   2508 H H    . TYR   B 1 42  ? -29.503 6.196   -5.325  1   35.075 ? 54  TYR   B H    1 c 2 
ATOM   2509 H HA   . TYR   B 1 42  ? -28.291 7.604   -7.457  1   36.254 ? 54  TYR   B HA   1 c 2 
ATOM   2510 H HB2  . TYR   B 1 42  ? -29.777 8.774   -5.303  1   39.428 ? 54  TYR   B HB2  1 c 2 
ATOM   2511 H HB3  . TYR   B 1 42  ? -29.031 9.609   -6.43   1   40.241 ? 54  TYR   B HB3  1 c 2 
ATOM   2512 H HD1  . TYR   B 1 42  ? -31.8   7.299   -6.098  1   43.894 ? 54  TYR   B HD1  1 c 2 
ATOM   2513 H HD2  . TYR   B 1 42  ? -30.209 10.227  -8.36   1   47.128 ? 54  TYR   B HD2  1 c 2 
ATOM   2514 H HE1  . TYR   B 1 42  ? -33.744 7.34    -7.402  1   49.929 ? 54  TYR   B HE1  1 c 2 
ATOM   2515 H HE2  . TYR   B 1 42  ? -32.131 10.274  -9.654  1   52.77  ? 54  TYR   B HE2  1 c 2 
ATOM   2516 H HH   . TYR   B 1 42  ? -34.851 8.287   -9.099  0   30     ? 54  TYR   B HH   1 c 2 
ATOM   2517 N N    . VAL   B 1 43  ? -26.202 7.877   -6.165  1   33.067 ? 55  VAL   B N    1 ? 2 
ATOM   2518 C CA   . VAL   B 1 43  ? -24.985 8.024   -5.375  1   34.252 ? 55  VAL   B CA   1 ? 2 
ATOM   2519 C C    . VAL   B 1 43  ? -24.095 9.154   -5.931  1   35.905 ? 55  VAL   B C    1 ? 2 
ATOM   2520 O O    . VAL   B 1 43  ? -24.21  9.568   -7.105  1   34.762 ? 55  VAL   B O    1 ? 2 
ATOM   2521 C CB   . VAL   B 1 43  ? -24.144 6.733   -5.265  1   31.515 ? 55  VAL   B CB   1 ? 2 
ATOM   2522 C CG1  . VAL   B 1 43  ? -24.968 5.616   -4.687  1   31.315 ? 55  VAL   B CG1  1 ? 2 
ATOM   2523 C CG2  . VAL   B 1 43  ? -23.566 6.351   -6.63   1   32.046 ? 55  VAL   B CG2  1 ? 2 
ATOM   2524 H H    . VAL   B 1 43  ? -26.138 7.851   -7.077  1   34.148 ? 55  VAL   B H    1 c 2 
ATOM   2525 H HA   . VAL   B 1 43  ? -25.252 8.278   -4.473  1   33.843 ? 55  VAL   B HA   1 c 2 
ATOM   2526 H HB   . VAL   B 1 43  ? -23.396 6.918   -4.65   1   31.203 ? 55  VAL   B HB   1 c 2 
ATOM   2527 H HG11 . VAL   B 1 43  ? -25.663 5.364   -5.319  1   31.812 ? 55  VAL   B HG11 1 c 2 
ATOM   2528 H HG12 . VAL   B 1 43  ? -25.378 5.911   -3.857  1   31.509 ? 55  VAL   B HG12 1 c 2 
ATOM   2529 H HG13 . VAL   B 1 43  ? -24.398 4.849   -4.512  1   29.817 ? 55  VAL   B HG13 1 c 2 
ATOM   2530 H HG21 . VAL   B 1 43  ? -23.236 5.439   -6.597  1   30.588 ? 55  VAL   B HG21 1 c 2 
ATOM   2531 H HG22 . VAL   B 1 43  ? -22.834 6.95    -6.855  1   32.239 ? 55  VAL   B HG22 1 c 2 
ATOM   2532 H HG23 . VAL   B 1 43  ? -24.258 6.419   -7.308  1   32.882 ? 55  VAL   B HG23 1 c 2 
ATOM   2533 N N    . HIS   B 1 44  ? -23.167 9.579   -5.06   1   32.946 ? 56  HIS   B N    1 ? 2 
ATOM   2534 C CA   . HIS   B 1 44  ? -21.918 10.228  -5.431  1   34.445 ? 56  HIS   B CA   1 ? 2 
ATOM   2535 C C    . HIS   B 1 44  ? -20.803 9.292   -5.026  1   31.841 ? 56  HIS   B C    1 ? 2 
ATOM   2536 O O    . HIS   B 1 44  ? -20.924 8.565   -4.07   1   34.039 ? 56  HIS   B O    1 ? 2 
ATOM   2537 C CB   . HIS   B 1 44  ? -21.69  11.589  -4.739  1   35.4   ? 56  HIS   B CB   1 ? 2 
ATOM   2538 C CG   . HIS   B 1 44  ? -22.328 12.71   -5.485  1   40.424 ? 56  HIS   B CG   1 ? 2 
ATOM   2539 N ND1  . HIS   B 1 44  ? -22.074 12.89   -6.833  1   43.277 ? 56  HIS   B ND1  1 ? 2 
ATOM   2540 C CD2  . HIS   B 1 44  ? -23.219 13.611  -5.135  1   43.849 ? 56  HIS   B CD2  1 ? 2 
ATOM   2541 C CE1  . HIS   B 1 44  ? -22.764 13.93   -7.26   1   48.551 ? 56  HIS   B CE1  1 ? 2 
ATOM   2542 N NE2  . HIS   B 1 44  ? -23.506 14.354  -6.251  1   47.846 ? 56  HIS   B NE2  1 ? 2 
ATOM   2543 H H    . HIS   B 1 44  ? -23.33  9.454   -4.169  1   33.24  ? 56  HIS   B H    1 c 2 
ATOM   2544 H HA   . HIS   B 1 44  ? -21.895 10.34   -6.412  1   34.846 ? 56  HIS   B HA   1 c 2 
ATOM   2545 H HB2  . HIS   B 1 44  ? -22.063 11.552  -3.832  1   35.778 ? 56  HIS   B HB2  1 c 2 
ATOM   2546 H HB3  . HIS   B 1 44  ? -20.724 11.756  -4.672  1   36.051 ? 56  HIS   B HB3  1 c 2 
ATOM   2547 H HD1  . HIS   B 1 44  ? -21.501 12.442  -7.336  0   30     ? 56  HIS   B HD1  1 c 2 
ATOM   2548 H HD2  . HIS   B 1 44  ? -23.606 13.721  -4.288  1   43.788 ? 56  HIS   B HD2  1 c 2 
ATOM   2549 H HE1  . HIS   B 1 44  ? -22.773 14.27   -8.138  1   49.098 ? 56  HIS   B HE1  1 c 2 
ATOM   2550 H HE2  . HIS   B 1 44  ? -24.04  15.069  -6.327  0   30     ? 56  HIS   B HE2  1 c 2 
ATOM   2551 N N    . TYR   B 1 45  ? -19.798 9.185   -5.883  1   31.315 ? 57  TYR   B N    1 ? 2 
ATOM   2552 C CA   . TYR   B 1 45  ? -18.636 8.347   -5.602  1   28.235 ? 57  TYR   B CA   1 ? 2 
ATOM   2553 C C    . TYR   B 1 45  ? -17.336 8.962   -6.132  1   30.734 ? 57  TYR   B C    1 ? 2 
ATOM   2554 O O    . TYR   B 1 45  ? -17.319 9.795   -7.051  1   34.769 ? 57  TYR   B O    1 ? 2 
ATOM   2555 C CB   . TYR   B 1 45  ? -18.859 6.955   -6.186  1   26.92  ? 57  TYR   B CB   1 ? 2 
ATOM   2556 C CG   . TYR   B 1 45  ? -18.638 6.864   -7.68   1   27.556 ? 57  TYR   B CG   1 ? 2 
ATOM   2557 C CD1  . TYR   B 1 45  ? -17.395 6.628   -8.226  1   27.675 ? 57  TYR   B CD1  1 ? 2 
ATOM   2558 C CD2  . TYR   B 1 45  ? -19.679 7.153   -8.558  1   32.405 ? 57  TYR   B CD2  1 ? 2 
ATOM   2559 C CE1  . TYR   B 1 45  ? -17.21  6.575   -9.6    1   33.747 ? 57  TYR   B CE1  1 ? 2 
ATOM   2560 C CE2  . TYR   B 1 45  ? -19.507 7.114   -9.927  1   33.608 ? 57  TYR   B CE2  1 ? 2 
ATOM   2561 C CZ   . TYR   B 1 45  ? -18.281 6.79    -10.455 1   34.221 ? 57  TYR   B CZ   1 ? 2 
ATOM   2562 O OH   . TYR   B 1 45  ? -18.144 6.841   -11.814 1   40.313 ? 57  TYR   B OH   1 ? 2 
ATOM   2563 H H    . TYR   B 1 45  ? -19.826 9.647   -6.672  1   32.367 ? 57  TYR   B H    1 c 2 
ATOM   2564 H HA   . TYR   B 1 45  ? -18.557 8.26    -4.618  1   28.229 ? 57  TYR   B HA   1 c 2 
ATOM   2565 H HB2  . TYR   B 1 45  ? -18.25  6.328   -5.736  1   25.661 ? 57  TYR   B HB2  1 c 2 
ATOM   2566 H HB3  . TYR   B 1 45  ? -19.78  6.677   -5.984  1   26.512 ? 57  TYR   B HB3  1 c 2 
ATOM   2567 H HD1  . TYR   B 1 45  ? -16.667 6.439   -7.655  1   28.059 ? 57  TYR   B HD1  1 c 2 
ATOM   2568 H HD2  . TYR   B 1 45  ? -20.536 7.34    -8.209  1   31.701 ? 57  TYR   B HD2  1 c 2 
ATOM   2569 H HE1  . TYR   B 1 45  ? -16.36  6.383   -9.951  1   32.527 ? 57  TYR   B HE1  1 c 2 
ATOM   2570 H HE2  . TYR   B 1 45  ? -20.235 7.286   -10.499 1   34.81  ? 57  TYR   B HE2  1 c 2 
ATOM   2571 H HH   . TYR   B 1 45  ? -17.275 6.712   -12.038 0   30     ? 57  TYR   B HH   1 c 2 
ATOM   2572 N N    . LYS   B 1 46  ? -16.267 8.579   -5.44   1   29.827 ? 58  LYS   B N    1 ? 2 
ATOM   2573 C CA   . LYS   B 1 46  ? -14.884 8.738   -5.89   1   33.545 ? 58  LYS   B CA   1 ? 2 
ATOM   2574 C C    . LYS   B 1 46  ? -14.288 7.346   -5.94   1   32.917 ? 58  LYS   B C    1 ? 2 
ATOM   2575 O O    . LYS   B 1 46  ? -14.466 6.586   -4.989  1   32.431 ? 58  LYS   B O    1 ? 2 
ATOM   2576 C CB   . LYS   B 1 46  ? -14.111 9.652   -4.912  1   33.023 ? 58  LYS   B CB   1 ? 2 
ATOM   2577 H H    . LYS   B 1 46  ? -16.404 8.189   -4.625  1   29.416 ? 58  LYS   B H    1 c 2 
ATOM   2578 H HA   . LYS   B 1 46  ? -14.883 9.131   -6.8    1   34.09  ? 58  LYS   B HA   1 c 2 
ATOM   2579 H HB2  . LYS   B 1 46  ? -13.168 9.563   -5.144  0   30     ? 58  LYS   B HB2  1 c 2 
ATOM   2580 H HB3  . LYS   B 1 46  ? -14.784 10.226  -4.51   0   30     ? 58  LYS   B HB3  1 c 2 
ATOM   2581 N N    . GLY   B 1 47  ? -13.641 6.96    -7.042  1   32.76  ? 59  GLY   B N    1 ? 2 
ATOM   2582 C CA   . GLY   B 1 47  ? -13.065 5.628   -7.181  1   30.143 ? 59  GLY   B CA   1 ? 2 
ATOM   2583 C C    . GLY   B 1 47  ? -11.653 5.715   -7.758  1   30.962 ? 59  GLY   B C    1 ? 2 
ATOM   2584 O O    . GLY   B 1 47  ? -11.279 6.752   -8.341  1   35.841 ? 59  GLY   B O    1 ? 2 
ATOM   2585 H H    . GLY   B 1 47  ? -13.553 7.549   -7.736  1   34.058 ? 59  GLY   B H    1 c 2 
ATOM   2586 H HA2  . GLY   B 1 47  ? -13.037 5.19    -6.302  1   29.15  ? 59  GLY   B HA2  1 c 2 
ATOM   2587 H HA3  . GLY   B 1 47  ? -13.635 5.087   -7.777  1   29.769 ? 59  GLY   B HA3  1 c 2 
ATOM   2588 N N    . LYS   B 1 48  ? -10.879 4.65    -7.528  1   31.861 ? 60  LYS   B N    1 ? 2 
ATOM   2589 C CA   . LYS   B 1 48  ? -9.531  4.546   -8.002  1   31.723 ? 60  LYS   B CA   1 ? 2 
ATOM   2590 C C    . LYS   B 1 48  ? -9.059  3.101   -7.926  1   32.585 ? 60  LYS   B C    1 ? 2 
ATOM   2591 O O    . LYS   B 1 48  ? -9.655  2.224   -7.278  1   26.857 ? 60  LYS   B O    1 ? 2 
ATOM   2592 C CB   . LYS   B 1 48  ? -8.543  5.407   -7.21   1   33.451 ? 60  LYS   B CB   1 ? 2 
ATOM   2593 C CG   . LYS   B 1 48  ? -8.494  5.112   -5.74   1   34.834 ? 60  LYS   B CG   1 ? 2 
ATOM   2594 C CD   . LYS   B 1 48  ? -7.387  5.921   -5.128  1   36.166 ? 60  LYS   B CD   1 ? 2 
ATOM   2595 C CE   . LYS   B 1 48  ? -7.301  6.015   -3.663  1   40.617 ? 60  LYS   B CE   1 ? 2 
ATOM   2596 N NZ   . LYS   B 1 48  ? -6.042  6.676   -3.203  1   45.287 ? 60  LYS   B NZ   1 ? 2 
ATOM   2597 H H    . LYS   B 1 48  ? -11.224 3.955   -7.045  1   29.61  ? 60  LYS   B H    1 c 2 
ATOM   2598 H HA   . LYS   B 1 48  ? -9.518  4.833   -8.948  1   33.687 ? 60  LYS   B HA   1 c 2 
ATOM   2599 H HB2  . LYS   B 1 48  ? -7.645  5.279   -7.583  1   35.059 ? 60  LYS   B HB2  1 c 2 
ATOM   2600 H HB3  . LYS   B 1 48  ? -8.784  6.35    -7.33   1   35.209 ? 60  LYS   B HB3  1 c 2 
ATOM   2601 H HG2  . LYS   B 1 48  ? -9.352  5.354   -5.328  1   33.313 ? 60  LYS   B HG2  1 c 2 
ATOM   2602 H HG3  . LYS   B 1 48  ? -8.326  4.156   -5.599  1   32.921 ? 60  LYS   B HG3  1 c 2 
ATOM   2603 H HD2  . LYS   B 1 48  ? -6.538  5.557   -5.46   1   38.078 ? 60  LYS   B HD2  1 c 2 
ATOM   2604 H HD3  . LYS   B 1 48  ? -7.453  6.833   -5.486  1   38.831 ? 60  LYS   B HD3  1 c 2 
ATOM   2605 H HE2  . LYS   B 1 48  ? -8.063  6.522   -3.328  1   39.638 ? 60  LYS   B HE2  1 c 2 
ATOM   2606 H HE3  . LYS   B 1 48  ? -7.344  5.12    -3.281  1   38.484 ? 60  LYS   B HE3  1 c 2 
ATOM   2607 H HZ1  . LYS   B 1 48  ? -6.008  7.524   -3.521  1   46.033 ? 60  LYS   B HZ1  1 c 2 
ATOM   2608 H HZ2  . LYS   B 1 48  ? -5.325  6.215   -3.508  1   44.918 ? 60  LYS   B HZ2  1 c 2 
ATOM   2609 H HZ3  . LYS   B 1 48  ? -6.021  6.697   -2.298  1   44.433 ? 60  LYS   B HZ3  1 c 2 
ATOM   2610 N N    . LEU   B 1 49  ? -8.066  2.828   -8.743  1   30.228 ? 61  LEU   B N    1 ? 2 
ATOM   2611 C CA   . LEU   B 1 49  ? -7.31   1.593   -8.571  1   33.205 ? 61  LEU   B CA   1 ? 2 
ATOM   2612 C C    . LEU   B 1 49  ? -6.652  1.697   -7.194  1   33.241 ? 61  LEU   B C    1 ? 2 
ATOM   2613 O O    . LEU   B 1 49  ? -6.318  2.775   -6.729  1   38.419 ? 61  LEU   B O    1 ? 2 
ATOM   2614 C CB   . LEU   B 1 49  ? -6.274  1.4     -9.68   1   33.444 ? 61  LEU   B CB   1 ? 2 
ATOM   2615 C CG   . LEU   B 1 49  ? -6.826  1.406   -11.109 1   36.158 ? 61  LEU   B CG   1 ? 2 
ATOM   2616 C CD1  . LEU   B 1 49  ? -5.683  1.161   -12.127 1   37.968 ? 61  LEU   B CD1  1 ? 2 
ATOM   2617 C CD2  . LEU   B 1 49  ? -7.871  0.352   -11.234 1   36.33  ? 61  LEU   B CD2  1 ? 2 
ATOM   2618 H H    . LEU   B 1 49  ? -7.839  3.408   -9.412  1   33.411 ? 61  LEU   B H    1 c 2 
ATOM   2619 H HA   . LEU   B 1 49  ? -7.941  0.83    -8.571  1   30.767 ? 61  LEU   B HA   1 c 2 
ATOM   2620 H HB2  . LEU   B 1 49  ? -5.603  2.117   -9.603  1   35.895 ? 61  LEU   B HB2  1 c 2 
ATOM   2621 H HB3  . LEU   B 1 49  ? -5.816  0.542   -9.527  1   33.819 ? 61  LEU   B HB3  1 c 2 
ATOM   2622 H HG   . LEU   B 1 49  ? -7.235  2.291   -11.291 1   36.801 ? 61  LEU   B HG   1 c 2 
ATOM   2623 H HD11 . LEU   B 1 49  ? -5.026  1.874   -12.057 1   39.703 ? 61  LEU   B HD11 1 c 2 
ATOM   2624 H HD12 . LEU   B 1 49  ? -6.048  1.145   -13.028 1   38.826 ? 61  LEU   B HD12 1 c 2 
ATOM   2625 H HD13 . LEU   B 1 49  ? -5.256  0.308   -11.937 1   37.546 ? 61  LEU   B HD13 1 c 2 
ATOM   2626 H HD21 . LEU   B 1 49  ? -8.694  0.659   -10.818 1   34.645 ? 61  LEU   B HD21 1 c 2 
ATOM   2627 H HD22 . LEU   B 1 49  ? -7.569  -0.46   -10.794 1   34.685 ? 61  LEU   B HD22 1 c 2 
ATOM   2628 H HD23 . LEU   B 1 49  ? -8.035  0.168   -12.175 1   36.373 ? 61  LEU   B HD23 1 c 2 
ATOM   2629 N N    . SER   B 1 50  ? -6.463  0.569   -6.528  1   31.677 ? 62  SER   B N    1 ? 2 
ATOM   2630 C CA   . SER   B 1 50  ? -5.856  0.592   -5.22   1   34.637 ? 62  SER   B CA   1 ? 2 
ATOM   2631 C C    . SER   B 1 50  ? -4.439  1.154   -5.294  1   38.114 ? 62  SER   B C    1 ? 2 
ATOM   2632 O O    . SER   B 1 50  ? -4.023  1.767   -4.34   1   49.262 ? 62  SER   B O    1 ? 2 
ATOM   2633 C CB   . SER   B 1 50  ? -5.89   -0.765  -4.554  1   31.554 ? 62  SER   B CB   1 ? 2 
ATOM   2634 O OG   . SER   B 1 50  ? -5.126  -1.632  -5.382  1   42.521 ? 62  SER   B OG   1 ? 2 
ATOM   2635 H H    . SER   B 1 50  ? -6.715  -0.23   -6.894  1   31.569 ? 62  SER   B H    1 c 2 
ATOM   2636 H HA   . SER   B 1 50  ? -6.389  1.211   -4.659  1   33.699 ? 62  SER   B HA   1 c 2 
ATOM   2637 H HB2  . SER   B 1 50  ? -5.495  -0.713  -3.663  1   34.377 ? 62  SER   B HB2  1 c 2 
ATOM   2638 H HB3  . SER   B 1 50  ? -6.809  -1.084  -4.487  1   32.748 ? 62  SER   B HB3  1 c 2 
ATOM   2639 H HG   . SER   B 1 50  ? -5.13   -2.45   -5.063  0   30     ? 62  SER   B HG   1 c 2 
ATOM   2640 N N    . ASN   B 1 51  ? -3.729  0.936   -6.403  1   42.657 ? 63  ASN   B N    1 ? 2 
ATOM   2641 C CA   . ASN   B 1 51  ? -2.388  1.43    -6.736  1   49.372 ? 63  ASN   B CA   1 ? 2 
ATOM   2642 C C    . ASN   B 1 51  ? -2.383  2.926   -7.089  1   53.265 ? 63  ASN   B C    1 ? 2 
ATOM   2643 O O    . ASN   B 1 51  ? -1.419  3.39    -7.672  1   54.89  ? 63  ASN   B O    1 ? 2 
ATOM   2644 C CB   . ASN   B 1 51  ? -1.78   0.682   -7.934  1   42.148 ? 63  ASN   B CB   1 ? 2 
ATOM   2645 H H    . ASN   B 1 51  ? -4.128  0.401   -7.029  1   41.78  ? 63  ASN   B H    1 c 2 
ATOM   2646 H HA   . ASN   B 1 51  ? -1.801  1.284   -5.96   1   47.606 ? 63  ASN   B HA   1 c 2 
ATOM   2647 H HB2  . ASN   B 1 51  ? -0.787  0.749   -7.846  0   30     ? 63  ASN   B HB2  1 c 2 
ATOM   2648 H HB3  . ASN   B 1 51  ? -2.464  0.344   -8.506  0   30     ? 63  ASN   B HB3  1 c 2 
ATOM   2649 N N    . GLY   B 1 52  ? -3.424  3.693   -6.707  1   61.172 ? 64  GLY   B N    1 ? 2 
ATOM   2650 C CA   . GLY   B 1 52  ? -3.572  5.116   -7.039  1   53.748 ? 64  GLY   B CA   1 ? 2 
ATOM   2651 C C    . GLY   B 1 52  ? -3.415  5.484   -8.523  1   59.754 ? 64  GLY   B C    1 ? 2 
ATOM   2652 O O    . GLY   B 1 52  ? -3.176  6.649   -8.807  1   73.568 ? 64  GLY   B O    1 ? 2 
ATOM   2653 H H    . GLY   B 1 52  ? -4.081  3.309   -6.205  1   54.587 ? 64  GLY   B H    1 c 2 
ATOM   2654 H HA2  . GLY   B 1 52  ? -4.462  5.41    -6.735  1   55.532 ? 64  GLY   B HA2  1 c 2 
ATOM   2655 H HA3  . GLY   B 1 52  ? -2.905  5.623   -6.518  1   58.188 ? 64  GLY   B HA3  1 c 2 
ATOM   2656 N N    . LYS   B 1 53  ? -3.519  4.572   -9.497  1   61.23  ? 65  LYS   B N    1 ? 2 
ATOM   2657 C CA   . LYS   B 1 53  ? -2.971  4.903   -10.817 1   63.393 ? 65  LYS   B CA   1 ? 2 
ATOM   2658 C C    . LYS   B 1 53  ? -4.033  5.559   -11.73  1   64.55  ? 65  LYS   B C    1 ? 2 
ATOM   2659 O O    . LYS   B 1 53  ? -3.671  6.309   -12.648 1   69.461 ? 65  LYS   B O    1 ? 2 
ATOM   2660 C CB   . LYS   B 1 53  ? -2.111  3.727   -11.335 1   64.918 ? 65  LYS   B CB   1 ? 2 
ATOM   2661 H H    . LYS   B 1 53  ? -3.927  3.767   -9.356  1   58.442 ? 65  LYS   B H    1 c 2 
ATOM   2662 H HA   . LYS   B 1 53  ? -2.291  5.608   -10.666 1   66.014 ? 65  LYS   B HA   1 c 2 
ATOM   2663 H HB2  . LYS   B 1 53  ? -1.213  3.89    -11.325 0   30     ? 65  LYS   B HB2  1 c 2 
ATOM   2664 H HB3  . LYS   B 1 53  ? -2.831  3.062   -11.716 0   30     ? 65  LYS   B HB3  1 c 2 
ATOM   2665 N N    . LYS   B 1 54  ? -5.346  5.355   -11.459 1   59.068 ? 66  LYS   B N    1 ? 2 
ATOM   2666 C CA   . LYS   B 1 54  ? -6.459  5.927   -12.228 1   52.001 ? 66  LYS   B CA   1 ? 2 
ATOM   2667 C C    . LYS   B 1 54  ? -7.527  6.281   -11.196 1   53.306 ? 66  LYS   B C    1 ? 2 
ATOM   2668 O O    . LYS   B 1 54  ? -7.732  5.441   -10.313 1   47.622 ? 66  LYS   B O    1 ? 2 
ATOM   2669 C CB   . LYS   B 1 54  ? -7.047  4.949   -13.26  1   49.986 ? 66  LYS   B CB   1 ? 2 
ATOM   2670 H H    . LYS   B 1 54  ? -5.555  4.815   -10.751 1   55.98  ? 66  LYS   B H    1 c 2 
ATOM   2671 H HA   . LYS   B 1 54  ? -6.148  6.752   -12.679 1   56.142 ? 66  LYS   B HA   1 c 2 
ATOM   2672 H HB2  . LYS   B 1 54  ? -6.238  4.556   -13.815 0   30     ? 66  LYS   B HB2  1 c 2 
ATOM   2673 H HB3  . LYS   B 1 54  ? -7.958  5.011   -13.277 0   30     ? 66  LYS   B HB3  1 c 2 
ATOM   2674 N N    A PHE   B 1 55  ? -8.231  7.399   -11.419 0.5 49.309 ? 67  PHE   B N    1 ? 2 
ATOM   2675 N N    B PHE   B 1 55  ? -8.035  7.53    -11.223 0.5 52.877 ? 67  PHE   B N    1 ? 2 
ATOM   2676 C CA   A PHE   B 1 55  ? -9.144  8.028   -10.472 0.5 48.788 ? 67  PHE   B CA   1 ? 2 
ATOM   2677 C CA   B PHE   B 1 55  ? -9.144  8.015   -10.404 0.5 55.396 ? 67  PHE   B CA   1 ? 2 
ATOM   2678 C C    A PHE   B 1 55  ? -10.376 8.637   -11.125 0.5 47.399 ? 67  PHE   B C    1 ? 2 
ATOM   2679 C C    B PHE   B 1 55  ? -10.384 8.095   -11.309 0.5 52.376 ? 67  PHE   B C    1 ? 2 
ATOM   2680 O O    A PHE   B 1 55  ? -10.226 9.582   -11.891 0.5 44.819 ? 67  PHE   B O    1 ? 2 
ATOM   2681 O O    B PHE   B 1 55  ? -10.27  8.027   -12.535 0.5 52.902 ? 67  PHE   B O    1 ? 2 
ATOM   2682 C CB   A PHE   B 1 55  ? -8.547  9.281   -9.865  0.5 45.295 ? 67  PHE   B CB   1 ? 2 
ATOM   2683 C CB   B PHE   B 1 55  ? -8.745  9.339   -9.727  0.5 53.835 ? 67  PHE   B CB   1 ? 2 
ATOM   2684 C CG   A PHE   B 1 55  ? -7.252  9.039   -9.129  0.5 46.826 ? 67  PHE   B CG   1 ? 2 
ATOM   2685 C CG   B PHE   B 1 55  ? -9.138  9.598   -8.263  0.5 57.096 ? 67  PHE   B CG   1 ? 2 
ATOM   2686 C CD1  A PHE   B 1 55  ? -6.036  9.053   -9.797  0.5 47.549 ? 67  PHE   B CD1  1 ? 2 
ATOM   2687 C CD1  B PHE   B 1 55  ? -8.225  9.418   -7.226  0.5 57.439 ? 67  PHE   B CD1  1 ? 2 
ATOM   2688 C CD2  A PHE   B 1 55  ? -7.247  8.923   -7.746  0.5 46.197 ? 67  PHE   B CD2  1 ? 2 
ATOM   2689 C CD2  B PHE   B 1 55  ? -10.405 10.044  -7.902  0.5 60.924 ? 67  PHE   B CD2  1 ? 2 
ATOM   2690 C CE1  A PHE   B 1 55  ? -4.86   8.887   -9.104  0.5 48.13  ? 67  PHE   B CE1  1 ? 2 
ATOM   2691 C CE1  B PHE   B 1 55  ? -8.574  9.64    -5.89   0.5 56.322 ? 67  PHE   B CE1  1 ? 2 
ATOM   2692 C CE2  A PHE   B 1 55  ? -6.05   8.769   -7.063  0.5 47.582 ? 67  PHE   B CE2  1 ? 2 
ATOM   2693 C CE2  B PHE   B 1 55  ? -10.734 10.29   -6.57   0.5 62.202 ? 67  PHE   B CE2  1 ? 2 
ATOM   2694 C CZ   A PHE   B 1 55  ? -4.866  8.712   -7.752  0.5 47.107 ? 67  PHE   B CZ   1 ? 2 
ATOM   2695 C CZ   B PHE   B 1 55  ? -9.816  10.088  -5.566  0.5 57.3   ? 67  PHE   B CZ   1 ? 2 
ATOM   2696 H H    A PHE   B 1 55  ? -8.131  7.799   -12.234 0.5 52.497 ? 67  PHE   B H    1 c 2 
ATOM   2697 H H    B PHE   B 1 55  ? -7.653  8.123   -11.804 0.5 56.36  ? 67  PHE   B H    1 c 2 
ATOM   2698 H HA   A PHE   B 1 55  ? -9.406  7.389   -9.761  0.5 45.082 ? 67  PHE   B HA   1 c 2 
ATOM   2699 H HA   B PHE   B 1 55  ? -9.32   7.346   -9.694  0.5 51.209 ? 67  PHE   B HA   1 c 2 
ATOM   2700 H HB2  A PHE   B 1 55  ? -8.389  9.933   -10.584 0.5 49.01  ? 67  PHE   B HB2  1 c 2 
ATOM   2701 H HB2  B PHE   B 1 55  ? -7.768  9.422   -9.795  0.5 56.995 ? 67  PHE   B HB2  1 c 2 
ATOM   2702 H HB3  A PHE   B 1 55  ? -9.201  9.669   -9.241  0.5 46.122 ? 67  PHE   B HB3  1 c 2 
ATOM   2703 H HB3  B PHE   B 1 55  ? -9.116  10.07   -10.27  0.5 57.24  ? 67  PHE   B HB3  1 c 2 
ATOM   2704 H HD1  A PHE   B 1 55  ? -6.019  9.15    -10.736 0.5 49.205 ? 67  PHE   B HD1  1 c 2 
ATOM   2705 H HD1  B PHE   B 1 55  ? -7.356  9.11    -7.429  0.5 57.944 ? 67  PHE   B HD1  1 c 2 
ATOM   2706 H HD2  A PHE   B 1 55  ? -8.062  8.939   -7.271  0.5 44.741 ? 67  PHE   B HD2  1 c 2 
ATOM   2707 H HD2  B PHE   B 1 55  ? -11.051 10.192  -8.575  0.5 60.521 ? 67  PHE   B HD2  1 c 2 
ATOM   2708 H HE1  A PHE   B 1 55  ? -4.042  8.862   -9.575  0.5 50.195 ? 67  PHE   B HE1  1 c 2 
ATOM   2709 H HE1  B PHE   B 1 55  ? -7.931  9.509   -5.211  0.5 56.889 ? 67  PHE   B HE1  1 c 2 
ATOM   2710 H HE2  A PHE   B 1 55  ? -6.056  8.649   -6.127  0.5 45.845 ? 67  PHE   B HE2  1 c 2 
ATOM   2711 H HE2  B PHE   B 1 55  ? -11.604 10.586  -6.353  0.5 59.916 ? 67  PHE   B HE2  1 c 2 
ATOM   2712 H HZ   A PHE   B 1 55  ? -4.052  8.611   -7.284  0.5 48.395 ? 67  PHE   B HZ   1 c 2 
ATOM   2713 H HZ   B PHE   B 1 55  ? -10.049 10.246  -4.666  0.5 57.485 ? 67  PHE   B HZ   1 c 2 
ATOM   2714 N N    . ASP   B 1 56  ? -11.572 8.198   -10.691 1   46.174 ? 68  ASP   B N    1 ? 2 
ATOM   2715 C CA   . ASP   B 1 56  ? -12.825 8.439   -11.395 1   45.289 ? 68  ASP   B CA   1 ? 2 
ATOM   2716 C C    . ASP   B 1 56  ? -13.882 8.86    -10.389 1   47.972 ? 68  ASP   B C    1 ? 2 
ATOM   2717 O O    . ASP   B 1 56  ? -13.957 8.37    -9.273  1   40.539 ? 68  ASP   B O    1 ? 2 
ATOM   2718 C CB   . ASP   B 1 56  ? -13.374 7.208   -12.112 1   46.151 ? 68  ASP   B CB   1 ? 2 
ATOM   2719 C CG   . ASP   B 1 56  ? -14.791 7.271   -12.697 1   49.53  ? 68  ASP   B CG   1 ? 2 
ATOM   2720 O OD1  . ASP   B 1 56  ? -15.035 8.023   -13.67  1   51.775 ? 68  ASP   B OD1  1 ? 2 
ATOM   2721 O OD2  . ASP   B 1 56  ? -15.668 6.551   -12.212 1   42.17  ? 68  ASP   B OD2  1 ? 2 
ATOM   2722 H H    A ASP   B 1 56  ? -11.6   7.722   -9.911  0.5 43.91  ? 68  ASP   B H    1 c 2 
ATOM   2723 H H    B ASP   B 1 56  ? -11.596 8.111   -9.781  0.5 45.728 ? 68  ASP   B H    1 c 2 
ATOM   2724 H HA   . ASP   B 1 56  ? -12.69  9.162   -12.048 1   48.805 ? 68  ASP   B HA   1 c 2 
ATOM   2725 H HB2  . ASP   B 1 56  ? -12.763 6.996   -12.848 1   47.246 ? 68  ASP   B HB2  1 c 2 
ATOM   2726 H HB3  . ASP   B 1 56  ? -13.348 6.458   -11.481 1   44.278 ? 68  ASP   B HB3  1 c 2 
ATOM   2727 N N    . SER   B 1 57  ? -14.693 9.823   -10.804 1   48.731 ? 69  SER   B N    1 ? 2 
ATOM   2728 C CA   . SER   B 1 57  ? -15.666 10.413  -9.901  1   51.353 ? 69  SER   B CA   1 ? 2 
ATOM   2729 C C    . SER   B 1 57  ? -16.941 10.769  -10.66  1   50.604 ? 69  SER   B C    1 ? 2 
ATOM   2730 O O    . SER   B 1 57  ? -16.909 11.244  -11.809 1   55.206 ? 69  SER   B O    1 ? 2 
ATOM   2731 C CB   . SER   B 1 57  ? -15.139 11.643  -9.206  1   58.236 ? 69  SER   B CB   1 ? 2 
ATOM   2732 O OG   . SER   B 1 57  ? -16.263 12.246  -8.581  1   57.532 ? 69  SER   B OG   1 ? 2 
ATOM   2733 H H    . SER   B 1 57  ? -14.647 10.122  -11.666 1   51.235 ? 69  SER   B H    1 c 2 
ATOM   2734 H HA   . SER   B 1 57  ? -15.896 9.741   -9.212  1   49.028 ? 69  SER   B HA   1 c 2 
ATOM   2735 H HB2  . SER   B 1 57  ? -14.472 11.393  -8.538  1   55.93  ? 69  SER   B HB2  1 c 2 
ATOM   2736 H HB3  . SER   B 1 57  ? -14.743 12.254  -9.855  1   58.899 ? 69  SER   B HB3  1 c 2 
ATOM   2737 H HG   . SER   B 1 57  ? -15.785 12.991  -8.112  0   30     ? 69  SER   B HG   1 c 2 
ATOM   2738 N N    . SER   B 1 58  ? -18.055 10.563  -9.969  1   44.319 ? 70  SER   B N    1 ? 2 
ATOM   2739 C CA   . SER   B 1 58  ? -19.325 11.138  -10.372 1   46.971 ? 70  SER   B CA   1 ? 2 
ATOM   2740 C C    . SER   B 1 58  ? -19.175 12.638  -10.659 1   56.209 ? 70  SER   B C    1 ? 2 
ATOM   2741 O O    . SER   B 1 58  ? -19.69  13.141  -11.677 1   60.248 ? 70  SER   B O    1 ? 2 
ATOM   2742 C CB   . SER   B 1 58  ? -20.392 10.859  -9.336  1   43.125 ? 70  SER   B CB   1 ? 2 
ATOM   2743 O OG   . SER   B 1 58  ? -20.02  11.307  -8.035  1   41.938 ? 70  SER   B OG   1 ? 2 
ATOM   2744 H H    . SER   B 1 58  ? -18.028 10.043  -9.217  1   44.027 ? 70  SER   B H    1 c 2 
ATOM   2745 H HA   . SER   B 1 58  ? -19.598 10.696  -11.216 1   47.562 ? 70  SER   B HA   1 c 2 
ATOM   2746 H HB2  . SER   B 1 58  ? -21.219 11.303  -9.603  1   44.792 ? 70  SER   B HB2  1 c 2 
ATOM   2747 H HB3  . SER   B 1 58  ? -20.565 9.898   -9.307  1   41.875 ? 70  SER   B HB3  1 c 2 
ATOM   2748 H HG   . SER   B 1 58  ? -20.654 11.119  -7.508  0   30     ? 70  SER   B HG   1 c 2 
ATOM   2749 N N    . HIS   B 1 59  ? -18.468 13.356  -9.771  1   52.143 ? 71  HIS   B N    1 ? 2 
ATOM   2750 C CA   . HIS   B 1 59  ? -18.332 14.818  -9.886  1   53.52  ? 71  HIS   B CA   1 ? 2 
ATOM   2751 C C    . HIS   B 1 59  ? -17.807 15.275  -11.252 1   55.445 ? 71  HIS   B C    1 ? 2 
ATOM   2752 O O    . HIS   B 1 59  ? -18.239 16.291  -11.767 1   55.812 ? 71  HIS   B O    1 ? 2 
ATOM   2753 C CB   . HIS   B 1 59  ? -17.507 15.365  -8.719  1   52.362 ? 71  HIS   B CB   1 ? 2 
ATOM   2754 C CG   . HIS   B 1 59  ? -18.118 15.014  -7.401  1   49.846 ? 71  HIS   B CG   1 ? 2 
ATOM   2755 N ND1  . HIS   B 1 59  ? -19.376 15.458  -7.047  1   54.061 ? 71  HIS   B ND1  1 ? 2 
ATOM   2756 C CD2  . HIS   B 1 59  ? -17.712 14.177  -6.417  1   49.043 ? 71  HIS   B CD2  1 ? 2 
ATOM   2757 C CE1  . HIS   B 1 59  ? -19.678 14.968  -5.844  1   51.382 ? 71  HIS   B CE1  1 ? 2 
ATOM   2758 N NE2  . HIS   B 1 59  ? -18.689 14.19   -5.46   1   51.838 ? 71  HIS   B NE2  1 ? 2 
ATOM   2759 H H    . HIS   B 1 59  ? -18.057 12.929  -9.075  1   51.002 ? 71  HIS   B H    1 c 2 
ATOM   2760 H HA   . HIS   B 1 59  ? -19.245 15.184  -9.785  1   54.148 ? 71  HIS   B HA   1 c 2 
ATOM   2761 H HB2  . HIS   B 1 59  ? -16.6   14.99   -8.765  1   51.962 ? 71  HIS   B HB2  1 c 2 
ATOM   2762 H HB3  . HIS   B 1 59  ? -17.448 16.342  -8.799  1   54.919 ? 71  HIS   B HB3  1 c 2 
ATOM   2763 H HD1  . HIS   B 1 59  ? -19.995 15.865  -7.483  0   30     ? 71  HIS   B HD1  1 c 2 
ATOM   2764 H HD2  . HIS   B 1 59  ? -16.901 13.712  -6.371  1   48.522 ? 71  HIS   B HD2  1 c 2 
ATOM   2765 H HE1  . HIS   B 1 59  ? -20.471 15.133  -5.364  1   52.163 ? 71  HIS   B HE1  1 c 2 
ATOM   2766 H HE2  . HIS   B 1 59  ? -18.574 13.699  -4.706  0   30     ? 71  HIS   B HE2  1 c 2 
ATOM   2767 N N    . ASP   B 1 60  ? -16.945 14.461  -11.872 1   58.496 ? 72  ASP   B N    1 ? 2 
ATOM   2768 C CA   . ASP   B 1 60  ? -16.449 14.673  -13.239 1   69.765 ? 72  ASP   B CA   1 ? 2 
ATOM   2769 C C    . ASP   B 1 60  ? -17.596 14.982  -14.218 1   65.749 ? 72  ASP   B C    1 ? 2 
ATOM   2770 O O    . ASP   B 1 60  ? -17.46  15.798  -15.121 1   65.998 ? 72  ASP   B O    1 ? 2 
ATOM   2771 C CB   . ASP   B 1 60  ? -15.703 13.431  -13.754 1   73.105 ? 72  ASP   B CB   1 ? 2 
ATOM   2772 C CG   . ASP   B 1 60  ? -14.41  13.024  -13.039 1   73.062 ? 72  ASP   B CG   1 ? 2 
ATOM   2773 O OD1  . ASP   B 1 60  ? -13.73  13.916  -12.463 1   80.461 ? 72  ASP   B OD1  1 ? 2 
ATOM   2774 O OD2  . ASP   B 1 60  ? -14.078 11.815  -13.048 1   63.871 ? 72  ASP   B OD2  1 ? 2 
ATOM   2775 H H    . ASP   B 1 60  ? -16.638 13.731  -11.415 1   57.14  ? 72  ASP   B H    1 c 2 
ATOM   2776 H HA   . ASP   B 1 60  ? -15.826 15.435  -13.229 1   69.635 ? 72  ASP   B HA   1 c 2 
ATOM   2777 H HB2  . ASP   B 1 60  ? -16.317 12.67   -13.729 1   70.253 ? 72  ASP   B HB2  1 c 2 
ATOM   2778 H HB3  . ASP   B 1 60  ? -15.475 13.588  -14.695 1   74.149 ? 72  ASP   B HB3  1 c 2 
ATOM   2779 N N    . ARG   B 1 61  ? -18.728 14.278  -14.055 1   64.429 ? 73  ARG   B N    1 ? 2 
ATOM   2780 C CA   . ARG   B 1 61  ? -19.841 14.341  -14.995 1   64.578 ? 73  ARG   B CA   1 ? 2 
ATOM   2781 C C    . ARG   B 1 61  ? -20.878 15.352  -14.469 1   67.149 ? 73  ARG   B C    1 ? 2 
ATOM   2782 O O    . ARG   B 1 61  ? -21.931 15.519  -15.082 1   66.261 ? 73  ARG   B O    1 ? 2 
ATOM   2783 C CB   . ARG   B 1 61  ? -20.25  12.891  -15.32  1   60.343 ? 73  ARG   B CB   1 ? 2 
ATOM   2784 H H    . ARG   B 1 61  ? -18.805 13.727  -13.329 1   61.423 ? 73  ARG   B H    1 c 2 
ATOM   2785 H HA   . ARG   B 1 61  ? -19.49  14.709  -15.845 1   67.101 ? 73  ARG   B HA   1 c 2 
ATOM   2786 H HB2  . ARG   B 1 61  ? -19.495 12.456  -15.43  0   30     ? 73  ARG   B HB2  1 c 2 
ATOM   2787 H HB3  . ARG   B 1 61  ? -21.258 13.027  -15.289 0   30     ? 73  ARG   B HB3  1 c 2 
ATOM   2788 N N    . ASN   B 1 62  ? -20.529 16.072  -13.369 1   62.167 ? 74  ASN   B N    1 ? 2 
ATOM   2789 C CA   . ASN   B 1 62  ? -21.317 17.145  -12.768 1   59.853 ? 74  ASN   B CA   1 ? 2 
ATOM   2790 C C    . ASN   B 1 62  ? -22.739 16.68   -12.377 1   56.893 ? 74  ASN   B C    1 ? 2 
ATOM   2791 O O    . ASN   B 1 62  ? -23.643 17.498  -12.357 1   59.8   ? 74  ASN   B O    1 ? 2 
ATOM   2792 C CB   . ASN   B 1 62  ? -21.156 18.428  -13.602 1   59.117 ? 74  ASN   B CB   1 ? 2 
ATOM   2793 H H    . ASN   B 1 62  ? -19.737 15.867  -12.966 1   61.102 ? 74  ASN   B H    1 c 2 
ATOM   2794 H HA   . ASN   B 1 62  ? -20.878 17.345  -11.911 1   58.227 ? 74  ASN   B HA   1 c 2 
ATOM   2795 H HB2  . ASN   B 1 62  ? -20.309 18.602  -13.602 0   30     ? 74  ASN   B HB2  1 c 2 
ATOM   2796 H HB3  . ASN   B 1 62  ? -22.152 18.706  -13.669 0   30     ? 74  ASN   B HB3  1 c 2 
ATOM   2797 N N    . GLU   B 1 63  ? -22.964 15.396  -11.967 1   57.943 ? 75  GLU   B N    1 ? 2 
ATOM   2798 C CA   . GLU   B 1 63  ? -24.323 14.902  -11.676 1   56.442 ? 75  GLU   B CA   1 ? 2 
ATOM   2799 C C    . GLU   B 1 63  ? -24.248 13.579  -10.906 1   51.637 ? 75  GLU   B C    1 ? 2 
ATOM   2800 O O    . GLU   B 1 63  ? -23.28  12.826  -11.039 1   48.233 ? 75  GLU   B O    1 ? 2 
ATOM   2801 C CB   . GLU   B 1 63  ? -25.124 14.637  -12.966 1   60.922 ? 75  GLU   B CB   1 ? 2 
ATOM   2802 C CG   . GLU   B 1 63  ? -24.53  13.458  -13.766 1   63.973 ? 75  GLU   B CG   1 ? 2 
ATOM   2803 C CD   . GLU   B 1 63  ? -24.984 13.025  -15.179 1   68.329 ? 75  GLU   B CD   1 ? 2 
ATOM   2804 O OE1  . GLU   B 1 63  ? -24.523 11.922  -15.635 1   64.578 ? 75  GLU   B OE1  1 ? 2 
ATOM   2805 O OE2  . GLU   B 1 63  ? -25.786 13.731  -15.827 1   70.255 ? 75  GLU   B OE2  1 ? 2 
ATOM   2806 H H    . GLU   B 1 63  ? -22.256 14.826  -11.868 1   54.957 ? 75  GLU   B H    1 c 2 
ATOM   2807 H HA   . GLU   B 1 63  ? -24.792 15.576  -11.122 1   57.759 ? 75  GLU   B HA   1 c 2 
ATOM   2808 H HB2  . GLU   B 1 63  ? -26.055 14.44   -12.73  1   61.186 ? 75  GLU   B HB2  1 c 2 
ATOM   2809 H HB3  . GLU   B 1 63  ? -25.118 15.447  -13.519 1   63.833 ? 75  GLU   B HB3  1 c 2 
ATOM   2810 H HG2  . GLU   B 1 63  ? -23.564 13.614  -13.824 1   63.143 ? 75  GLU   B HG2  1 c 2 
ATOM   2811 H HG3  . GLU   B 1 63  ? -24.62  12.661  -13.203 1   60.806 ? 75  GLU   B HG3  1 c 2 
ATOM   2812 N N    . PRO   B 1 64  ? -25.239 13.199  -10.073 1   49.07  ? 76  PRO   B N    1 ? 2 
ATOM   2813 C CA   . PRO   B 1 64  ? -25.158 11.901  -9.402  1   46.75  ? 76  PRO   B CA   1 ? 2 
ATOM   2814 C C    . PRO   B 1 64  ? -25.167 10.723  -10.372 1   44.229 ? 76  PRO   B C    1 ? 2 
ATOM   2815 O O    . PRO   B 1 64  ? -25.653 10.834  -11.496 1   44.968 ? 76  PRO   B O    1 ? 2 
ATOM   2816 C CB   . PRO   B 1 64  ? -26.328 11.849  -8.43   1   46.225 ? 76  PRO   B CB   1 ? 2 
ATOM   2817 C CG   . PRO   B 1 64  ? -27.068 13.145  -8.634  1   49.417 ? 76  PRO   B CG   1 ? 2 
ATOM   2818 C CD   . PRO   B 1 64  ? -26.441 13.955  -9.743  1   51.615 ? 76  PRO   B CD   1 ? 2 
ATOM   2819 H HA   . PRO   B 1 64  ? -24.328 11.871  -8.881  1   44.976 ? 76  PRO   B HA   1 c 2 
ATOM   2820 H HB2  . PRO   B 1 64  ? -26.908 11.086  -8.623  1   45.773 ? 76  PRO   B HB2  1 c 2 
ATOM   2821 H HB3  . PRO   B 1 64  ? -26.01  11.773  -7.51   1   45.04  ? 76  PRO   B HB3  1 c 2 
ATOM   2822 H HG2  . PRO   B 1 64  ? -28.002 12.96   -8.854  1   50.275 ? 76  PRO   B HG2  1 c 2 
ATOM   2823 H HG3  . PRO   B 1 64  ? -27.055 13.665  -7.805  1   49.594 ? 76  PRO   B HG3  1 c 2 
ATOM   2824 H HD2  . PRO   B 1 64  ? -27.034 14.017  -10.517 1   53.073 ? 76  PRO   B HD2  1 c 2 
ATOM   2825 H HD3  . PRO   B 1 64  ? -26.212 14.855  -9.439  1   52.762 ? 76  PRO   B HD3  1 c 2 
ATOM   2826 N N    . PHE   B 1 65  ? -24.615 9.615   -9.889  1   40.826 ? 77  PHE   B N    1 ? 2 
ATOM   2827 C CA   . PHE   B 1 65  ? -24.534 8.324   -10.578 1   38.851 ? 77  PHE   B CA   1 ? 2 
ATOM   2828 C C    . PHE   B 1 65  ? -25.75  7.514   -10.153 1   38.76  ? 77  PHE   B C    1 ? 2 
ATOM   2829 O O    . PHE   B 1 65  ? -26.043 7.383   -8.959  1   33.937 ? 77  PHE   B O    1 ? 2 
ATOM   2830 C CB   . PHE   B 1 65  ? -23.23  7.599   -10.296 1   38.221 ? 77  PHE   B CB   1 ? 2 
ATOM   2831 C CG   . PHE   B 1 65  ? -23.138 6.295   -11.061 1   37.913 ? 77  PHE   B CG   1 ? 2 
ATOM   2832 C CD1  . PHE   B 1 65  ? -22.84  6.277   -12.403 1   41.951 ? 77  PHE   B CD1  1 ? 2 
ATOM   2833 C CD2  . PHE   B 1 65  ? -23.407 5.096   -10.419 1   38.333 ? 77  PHE   B CD2  1 ? 2 
ATOM   2834 C CE1  . PHE   B 1 65  ? -22.75  5.075   -13.099 1   45.135 ? 77  PHE   B CE1  1 ? 2 
ATOM   2835 C CE2  . PHE   B 1 65  ? -23.347 3.895   -11.11  1   38.753 ? 77  PHE   B CE2  1 ? 2 
ATOM   2836 C CZ   . PHE   B 1 65  ? -23.018 3.879   -12.447 1   40.53  ? 77  PHE   B CZ   1 ? 2 
ATOM   2837 H H    . PHE   B 1 65  ? -24.253 9.662   -9.051  1   39.76  ? 77  PHE   B H    1 c 2 
ATOM   2838 H HA   . PHE   B 1 65  ? -24.59  8.491   -11.556 1   40.921 ? 77  PHE   B HA   1 c 2 
ATOM   2839 H HB2  . PHE   B 1 65  ? -22.48  8.18    -10.554 1   38.634 ? 77  PHE   B HB2  1 c 2 
ATOM   2840 H HB3  . PHE   B 1 65  ? -23.17  7.415   -9.332  1   36.701 ? 77  PHE   B HB3  1 c 2 
ATOM   2841 H HD1  . PHE   B 1 65  ? -22.651 7.088   -12.847 1   43.675 ? 77  PHE   B HD1  1 c 2 
ATOM   2842 H HD2  . PHE   B 1 65  ? -23.631 5.098   -9.502  1   37.195 ? 77  PHE   B HD2  1 c 2 
ATOM   2843 H HE1  . PHE   B 1 65  ? -22.535 5.076   -14.018 1   44.747 ? 77  PHE   B HE1  1 c 2 
ATOM   2844 H HE2  . PHE   B 1 65  ? -23.519 3.084   -10.658 1   37.452 ? 77  PHE   B HE2  1 c 2 
ATOM   2845 H HZ   . PHE   B 1 65  ? -22.973 3.061   -12.916 1   40.776 ? 77  PHE   B HZ   1 c 2 
ATOM   2846 N N    . VAL   B 1 66  ? -26.511 7.08    -11.177 1   40.513 ? 78  VAL   B N    1 ? 2 
ATOM   2847 C CA   . VAL   B 1 66  ? -27.821 6.491   -10.955 1   41.504 ? 78  VAL   B CA   1 ? 2 
ATOM   2848 C C    . VAL   B 1 66  ? -27.758 5.093   -11.54  1   39.769 ? 78  VAL   B C    1 ? 2 
ATOM   2849 O O    . VAL   B 1 66  ? -27.204 4.932   -12.633 1   40.528 ? 78  VAL   B O    1 ? 2 
ATOM   2850 C CB   . VAL   B 1 66  ? -28.964 7.309   -11.559 1   46.271 ? 78  VAL   B CB   1 ? 2 
ATOM   2851 C CG1  . VAL   B 1 66  ? -30.301 6.584   -11.428 1   48.797 ? 78  VAL   B CG1  1 ? 2 
ATOM   2852 C CG2  . VAL   B 1 66  ? -29.031 8.686   -10.869 1   44.472 ? 78  VAL   B CG2  1 ? 2 
ATOM   2853 H H    . VAL   B 1 66  ? -26.2   7.15    -12.034 1   41.371 ? 78  VAL   B H    1 c 2 
ATOM   2854 H HA   . VAL   B 1 66  ? -27.968 6.42    -9.996  1   40.488 ? 78  VAL   B HA   1 c 2 
ATOM   2855 H HB   . VAL   B 1 66  ? -28.765 7.441   -12.516 1   46.863 ? 78  VAL   B HB   1 c 2 
ATOM   2856 H HG11 . VAL   B 1 66  ? -30.382 6.213   -10.534 1   46.954 ? 78  VAL   B HG11 1 c 2 
ATOM   2857 H HG12 . VAL   B 1 66  ? -30.348 5.866   -12.082 1   48.376 ? 78  VAL   B HG12 1 c 2 
ATOM   2858 H HG13 . VAL   B 1 66  ? -31.027 7.21    -11.585 1   50.256 ? 78  VAL   B HG13 1 c 2 
ATOM   2859 H HG21 . VAL   B 1 66  ? -29.858 9.134   -11.114 1   47.295 ? 78  VAL   B HG21 1 c 2 
ATOM   2860 H HG22 . VAL   B 1 66  ? -28.275 9.228   -11.151 1   45.42  ? 78  VAL   B HG22 1 c 2 
ATOM   2861 H HG23 . VAL   B 1 66  ? -29.001 8.568   -9.905  1   43.978 ? 78  VAL   B HG23 1 c 2 
ATOM   2862 N N    . PHE   B 1 67  ? -28.235 4.096   -10.786 1   38.193 ? 79  PHE   B N    1 ? 2 
ATOM   2863 C CA   . PHE   B 1 67  ? -28.244 2.705   -11.292 1   34.931 ? 79  PHE   B CA   1 ? 2 
ATOM   2864 C C    . PHE   B 1 67  ? -29.325 1.892   -10.563 1   36.928 ? 79  PHE   B C    1 ? 2 
ATOM   2865 O O    . PHE   B 1 67  ? -29.817 2.268   -9.498  1   36.913 ? 79  PHE   B O    1 ? 2 
ATOM   2866 C CB   . PHE   B 1 67  ? -26.899 1.991   -11.217 1   33.125 ? 79  PHE   B CB   1 ? 2 
ATOM   2867 C CG   . PHE   B 1 67  ? -26.496 1.625   -9.787  1   31.12  ? 79  PHE   B CG   1 ? 2 
ATOM   2868 C CD1  . PHE   B 1 67  ? -26.053 2.593   -8.902  1   34.395 ? 79  PHE   B CD1  1 ? 2 
ATOM   2869 C CD2  . PHE   B 1 67  ? -26.597 0.342   -9.292  1   32.515 ? 79  PHE   B CD2  1 ? 2 
ATOM   2870 C CE1  . PHE   B 1 67  ? -25.693 2.281   -7.611  1   28.872 ? 79  PHE   B CE1  1 ? 2 
ATOM   2871 C CE2  . PHE   B 1 67  ? -26.185 0.031   -8.015  1   31.498 ? 79  PHE   B CE2  1 ? 2 
ATOM   2872 C CZ   . PHE   B 1 67  ? -25.804 1.015   -7.146  1   30.686 ? 79  PHE   B CZ   1 ? 2 
ATOM   2873 H H    . PHE   B 1 67  ? -28.559 4.269   -9.949  1   37.358 ? 79  PHE   B H    1 c 2 
ATOM   2874 H HA   . PHE   B 1 67  ? -28.503 2.744   -12.252 1   37.414 ? 79  PHE   B HA   1 c 2 
ATOM   2875 H HB2  . PHE   B 1 67  ? -26.947 1.171   -11.757 1   33.192 ? 79  PHE   B HB2  1 c 2 
ATOM   2876 H HB3  . PHE   B 1 67  ? -26.21  2.575   -11.605 1   33.15  ? 79  PHE   B HB3  1 c 2 
ATOM   2877 H HD1  . PHE   B 1 67  ? -25.994 3.489   -9.194  1   33.372 ? 79  PHE   B HD1  1 c 2 
ATOM   2878 H HD2  . PHE   B 1 67  ? -26.876 -0.351  -9.869  1   32.583 ? 79  PHE   B HD2  1 c 2 
ATOM   2879 H HE1  . PHE   B 1 67  ? -25.398 2.966   -7.033  1   30.189 ? 79  PHE   B HE1  1 c 2 
ATOM   2880 H HE2  . PHE   B 1 67  ? -26.275 -0.856  -7.702  1   30.764 ? 79  PHE   B HE2  1 c 2 
ATOM   2881 H HZ   . PHE   B 1 67  ? -25.531 0.802   -6.268  1   29.143 ? 79  PHE   B HZ   1 c 2 
ATOM   2882 N N    . SER   B 1 68  ? -29.73  0.767   -11.191 1   40.142 ? 80  SER   B N    1 ? 2 
ATOM   2883 C CA   . SER   B 1 68  ? -30.717 -0.116  -10.593 1   39.965 ? 80  SER   B CA   1 ? 2 
ATOM   2884 C C    . SER   B 1 68  ? -29.926 -1.208  -9.886  1   34.603 ? 80  SER   B C    1 ? 2 
ATOM   2885 O O    . SER   B 1 68  ? -29.036 -1.806  -10.461 1   36.658 ? 80  SER   B O    1 ? 2 
ATOM   2886 C CB   . SER   B 1 68  ? -31.742 -0.682  -11.626 1   42.922 ? 80  SER   B CB   1 ? 2 
ATOM   2887 O OG   . SER   B 1 68  ? -32.529 0.368   -12.183 1   51.243 ? 80  SER   B OG   1 ? 2 
ATOM   2888 H H    . SER   B 1 68  ? -29.379 0.553   -12.008 1   39.612 ? 80  SER   B H    1 c 2 
ATOM   2889 H HA   . SER   B 1 68  ? -31.217 0.396   -9.912  1   39.951 ? 80  SER   B HA   1 c 2 
ATOM   2890 H HB2  . SER   B 1 68  ? -31.261 -1.142  -12.34  1   44.016 ? 80  SER   B HB2  1 c 2 
ATOM   2891 H HB3  . SER   B 1 68  ? -32.325 -1.327  -11.183 1   44.565 ? 80  SER   B HB3  1 c 2 
ATOM   2892 H HG   . SER   B 1 68  ? -33.077 0.035   -12.681 0   30     ? 80  SER   B HG   1 c 2 
ATOM   2893 N N    . LEU   B 1 69  ? -30.268 -1.465  -8.642  1   37.651 ? 81  LEU   B N    1 ? 2 
ATOM   2894 C CA   . LEU   B 1 69  ? -29.452 -2.343  -7.834  1   33.14  ? 81  LEU   B CA   1 ? 2 
ATOM   2895 C C    . LEU   B 1 69  ? -29.754 -3.782  -8.24   1   40.293 ? 81  LEU   B C    1 ? 2 
ATOM   2896 O O    . LEU   B 1 69  ? -30.909 -4.155  -8.432  1   39.85  ? 81  LEU   B O    1 ? 2 
ATOM   2897 C CB   . LEU   B 1 69  ? -29.818 -2.066  -6.389  1   35.382 ? 81  LEU   B CB   1 ? 2 
ATOM   2898 C CG   . LEU   B 1 69  ? -29.033 -2.874  -5.339  1   40.9   ? 81  LEU   B CG   1 ? 2 
ATOM   2899 C CD1  . LEU   B 1 69  ? -27.638 -2.339  -5.213  1   37.139 ? 81  LEU   B CD1  1 ? 2 
ATOM   2900 C CD2  . LEU   B 1 69  ? -29.682 -2.686  -3.956  1   45.56  ? 81  LEU   B CD2  1 ? 2 
ATOM   2901 H H    . LEU   B 1 69  ? -31.024 -1.096  -8.284  1   37.315 ? 81  LEU   B H    1 c 2 
ATOM   2902 H HA   . LEU   B 1 69  ? -28.495 -2.136  -7.987  1   33.868 ? 81  LEU   B HA   1 c 2 
ATOM   2903 H HB2  . LEU   B 1 69  ? -29.677 -1.107  -6.214  1   36.142 ? 81  LEU   B HB2  1 c 2 
ATOM   2904 H HB3  . LEU   B 1 69  ? -30.778 -2.255  -6.273  1   37.841 ? 81  LEU   B HB3  1 c 2 
ATOM   2905 H HG   . LEU   B 1 69  ? -29.018 -3.834  -5.588  1   39.783 ? 81  LEU   B HG   1 c 2 
ATOM   2906 H HD11 . LEU   B 1 69  ? -27.174 -2.44   -6.061  1   37.17  ? 81  LEU   B HD11 1 c 2 
ATOM   2907 H HD12 . LEU   B 1 69  ? -27.162 -2.832  -4.524  1   36.738 ? 81  LEU   B HD12 1 c 2 
ATOM   2908 H HD13 . LEU   B 1 69  ? -27.67  -1.398  -4.973  1   37.754 ? 81  LEU   B HD13 1 c 2 
ATOM   2909 H HD21 . LEU   B 1 69  ? -30.631 -2.876  -4.013  1   45.809 ? 81  LEU   B HD21 1 c 2 
ATOM   2910 H HD22 . LEU   B 1 69  ? -29.552 -1.77   -3.664  1   44.007 ? 81  LEU   B HD22 1 c 2 
ATOM   2911 H HD23 . LEU   B 1 69  ? -29.268 -3.291  -3.317  1   43.541 ? 81  LEU   B HD23 1 c 2 
ATOM   2912 N N    . GLY   B 1 70  ? -28.695 -4.568  -8.442  1   40.717 ? 82  GLY   B N    1 ? 2 
ATOM   2913 C CA   . GLY   B 1 70  ? -28.784 -5.993  -8.735  1   42.451 ? 82  GLY   B CA   1 ? 2 
ATOM   2914 C C    . GLY   B 1 70  ? -29.109 -6.28   -10.195 1   49.433 ? 82  GLY   B C    1 ? 2 
ATOM   2915 O O    . GLY   B 1 70  ? -29.581 -7.385  -10.465 1   52.325 ? 82  GLY   B O    1 ? 2 
ATOM   2916 H H    . GLY   B 1 70  ? -27.864 -4.19   -8.401  1   39.044 ? 82  GLY   B H    1 c 2 
ATOM   2917 H HA2  . GLY   B 1 70  ? -27.93  -6.422  -8.502  1   41.791 ? 82  GLY   B HA2  1 c 2 
ATOM   2918 H HA3  . GLY   B 1 70  ? -29.482 -6.392  -8.164  1   44.044 ? 82  GLY   B HA3  1 c 2 
ATOM   2919 N N    . LYS   B 1 71  ? -28.97  -5.306  -11.103 1   46.578 ? 83  LYS   B N    1 ? 2 
ATOM   2920 C CA   . LYS   B 1 71  ? -29.476 -5.446  -12.46  1   51.697 ? 83  LYS   B CA   1 ? 2 
ATOM   2921 C C    . LYS   B 1 71  ? -28.288 -5.694  -13.417 1   49.614 ? 83  LYS   B C    1 ? 2 
ATOM   2922 O O    . LYS   B 1 71  ? -28.416 -5.593  -14.648 1   54.427 ? 83  LYS   B O    1 ? 2 
ATOM   2923 C CB   . LYS   B 1 71  ? -30.501 -4.346  -12.815 1   49.147 ? 83  LYS   B CB   1 ? 2 
ATOM   2924 H H    . LYS   B 1 71  ? -28.54  -4.534  -10.871 1   46.959 ? 83  LYS   B H    1 c 2 
ATOM   2925 H HA   . LYS   B 1 71  ? -30.013 -6.278  -12.479 1   51.075 ? 83  LYS   B HA   1 c 2 
ATOM   2926 H HB2  . LYS   B 1 71  ? -29.966 -3.612  -13.086 0   30     ? 83  LYS   B HB2  1 c 2 
ATOM   2927 H HB3  . LYS   B 1 71  ? -31.387 -4.733  -12.664 0   30     ? 83  LYS   B HB3  1 c 2 
ATOM   2928 N N    . GLY   B 1 72  ? -27.122 -5.988  -12.824 1   53     ? 84  GLY   B N    1 ? 2 
ATOM   2929 C CA   . GLY   B 1 72  ? -25.884 -6.153  -13.57  1   49.119 ? 84  GLY   B CA   1 ? 2 
ATOM   2930 C C    . GLY   B 1 72  ? -25.417 -4.861  -14.244 1   45.883 ? 84  GLY   B C    1 ? 2 
ATOM   2931 O O    . GLY   B 1 72  ? -24.773 -4.934  -15.275 1   48.88  ? 84  GLY   B O    1 ? 2 
ATOM   2932 H H    . GLY   B 1 72  ? -27.096 -6.099  -11.917 1   49.666 ? 84  GLY   B H    1 c 2 
ATOM   2933 H HA2  . GLY   B 1 72  ? -25.181 -6.477  -12.959 1   47.56  ? 84  GLY   B HA2  1 c 2 
ATOM   2934 H HA3  . GLY   B 1 72  ? -26.021 -6.845  -14.259 1   50.204 ? 84  GLY   B HA3  1 c 2 
ATOM   2935 N N    . GLN   B 1 73  ? -25.764 -3.672  -13.71  1   39.398 ? 85  GLN   B N    1 ? 2 
ATOM   2936 C CA   . GLN   B 1 73  ? -25.386 -2.389  -14.309 1   38.527 ? 85  GLN   B CA   1 ? 2 
ATOM   2937 C C    . GLN   B 1 73  ? -24.047 -1.892  -13.766 1   37.748 ? 85  GLN   B C    1 ? 2 
ATOM   2938 O O    . GLN   B 1 73  ? -23.365 -1.142  -14.442 1   35.134 ? 85  GLN   B O    1 ? 2 
ATOM   2939 C CB   . GLN   B 1 73  ? -26.461 -1.333  -14.079 1   41.107 ? 85  GLN   B CB   1 ? 2 
ATOM   2940 C CG   . GLN   B 1 73  ? -27.734 -1.643  -14.873 1   46.831 ? 85  GLN   B CG   1 ? 2 
ATOM   2941 C CD   . GLN   B 1 73  ? -28.904 -0.787  -14.464 1   49.55  ? 85  GLN   B CD   1 ? 2 
ATOM   2942 O OE1  . GLN   B 1 73  ? -28.764 0.251   -13.795 1   44.775 ? 85  GLN   B OE1  1 ? 2 
ATOM   2943 N NE2  . GLN   B 1 73  ? -30.063 -1.228  -14.924 1   56.008 ? 85  GLN   B NE2  1 ? 2 
ATOM   2944 H H    . GLN   B 1 73  ? -26.255 -3.662  -12.94  1   40.092 ? 85  GLN   B H    1 c 2 
ATOM   2945 H HA   . GLN   B 1 73  ? -25.294 -2.519  -15.287 1   40.661 ? 85  GLN   B HA   1 c 2 
ATOM   2946 H HB2  . GLN   B 1 73  ? -26.676 -1.294  -13.123 1   40.442 ? 85  GLN   B HB2  1 c 2 
ATOM   2947 H HB3  . GLN   B 1 73  ? -26.117 -0.456  -14.349 1   41.84  ? 85  GLN   B HB3  1 c 2 
ATOM   2948 H HG2  . GLN   B 1 73  ? -27.561 -1.506  -15.828 1   47.724 ? 85  GLN   B HG2  1 c 2 
ATOM   2949 H HG3  . GLN   B 1 73  ? -27.974 -2.586  -14.745 1   46.307 ? 85  GLN   B HG3  1 c 2 
ATOM   2950 H HE21 . GLN   B 1 73  ? -30.817 -0.85   -14.651 1   55.545 ? 85  GLN   B HE21 1 c 2 
ATOM   2951 H HE22 . GLN   B 1 73  ? -30.089 -1.899  -15.505 1   55.298 ? 85  GLN   B HE22 1 c 2 
ATOM   2952 N N    . VAL   B 1 74  ? -23.626 -2.431  -12.598 1   30.175 ? 86  VAL   B N    1 ? 2 
ATOM   2953 C CA   . VAL   B 1 74  ? -22.378 -2.095  -11.953 1   30.816 ? 86  VAL   B CA   1 ? 2 
ATOM   2954 C C    . VAL   B 1 74  ? -21.709 -3.397  -11.542 1   27.159 ? 86  VAL   B C    1 ? 2 
ATOM   2955 O O    . VAL   B 1 74  ? -22.292 -4.436  -11.638 1   26.948 ? 86  VAL   B O    1 ? 2 
ATOM   2956 C CB   . VAL   B 1 74  ? -22.676 -1.203  -10.749 1   29.565 ? 86  VAL   B CB   1 ? 2 
ATOM   2957 C CG1  . VAL   B 1 74  ? -23.15  0.188   -11.173 1   31.846 ? 86  VAL   B CG1  1 ? 2 
ATOM   2958 C CG2  . VAL   B 1 74  ? -23.668 -1.877  -9.785  1   32.407 ? 86  VAL   B CG2  1 ? 2 
ATOM   2959 H H    . VAL   B 1 74  ? -24.161 -3.051  -12.192 1   31.833 ? 86  VAL   B H    1 c 2 
ATOM   2960 H HA   . VAL   B 1 74  ? -21.805 -1.617  -12.582 1   30.381 ? 86  VAL   B HA   1 c 2 
ATOM   2961 H HB   . VAL   B 1 74  ? -21.826 -1.087  -10.262 1   29.313 ? 86  VAL   B HB   1 c 2 
ATOM   2962 H HG11 . VAL   B 1 74  ? -23.996 0.114   -11.644 1   32.828 ? 86  VAL   B HG11 1 c 2 
ATOM   2963 H HG12 . VAL   B 1 74  ? -22.488 0.593   -11.759 1   32.054 ? 86  VAL   B HG12 1 c 2 
ATOM   2964 H HG13 . VAL   B 1 74  ? -23.266 0.745   -10.385 1   31.254 ? 86  VAL   B HG13 1 c 2 
ATOM   2965 H HG21 . VAL   B 1 74  ? -23.717 -1.364  -8.96   1   30.93  ? 86  VAL   B HG21 1 c 2 
ATOM   2966 H HG22 . VAL   B 1 74  ? -23.37  -2.779  -9.584  1   30.683 ? 86  VAL   B HG22 1 c 2 
ATOM   2967 H HG23 . VAL   B 1 74  ? -24.549 -1.91   -10.194 1   32.573 ? 86  VAL   B HG23 1 c 2 
ATOM   2968 N N    . ILE   B 1 75  ? -20.452 -3.341  -11.13  1   23.516 ? 87  ILE   B N    1 ? 2 
ATOM   2969 C CA   . ILE   B 1 75  ? -19.727 -4.503  -10.653 1   22.73  ? 87  ILE   B CA   1 ? 2 
ATOM   2970 C C    . ILE   B 1 75  ? -20.454 -5.103  -9.445  1   23.76  ? 87  ILE   B C    1 ? 2 
ATOM   2971 O O    . ILE   B 1 75  ? -21.211 -4.399  -8.754  1   22.616 ? 87  ILE   B O    1 ? 2 
ATOM   2972 C CB   . ILE   B 1 75  ? -18.292 -4.129  -10.301 1   22.554 ? 87  ILE   B CB   1 ? 2 
ATOM   2973 C CG1  . ILE   B 1 75  ? -18.153 -2.985  -9.248  1   22.445 ? 87  ILE   B CG1  1 ? 2 
ATOM   2974 C CG2  . ILE   B 1 75  ? -17.441 -3.824  -11.567 1   23.761 ? 87  ILE   B CG2  1 ? 2 
ATOM   2975 C CD1  . ILE   B 1 75  ? -16.743 -2.738  -8.825  1   22.661 ? 87  ILE   B CD1  1 ? 2 
ATOM   2976 H H    . ILE   B 1 75  ? -20.019 -2.538  -11.161 1   24.246 ? 87  ILE   B H    1 c 2 
ATOM   2977 H HA   . ILE   B 1 75  ? -19.708 -5.168  -11.367 1   23.723 ? 87  ILE   B HA   1 c 2 
ATOM   2978 H HB   . ILE   B 1 75  ? -17.899 -4.924  -9.891  1   21.922 ? 87  ILE   B HB   1 c 2 
ATOM   2979 H HG12 . ILE   B 1 75  ? -18.517 -2.16   -9.626  1   23.214 ? 87  ILE   B HG12 1 c 2 
ATOM   2980 H HG13 . ILE   B 1 75  ? -18.683 -3.215  -8.458  1   21.98  ? 87  ILE   B HG13 1 c 2 
ATOM   2981 H HG21 . ILE   B 1 75  ? -16.496 -3.894  -11.35  1   23.344 ? 87  ILE   B HG21 1 c 2 
ATOM   2982 H HG22 . ILE   B 1 75  ? -17.634 -2.925  -11.88  1   24.437 ? 87  ILE   B HG22 1 c 2 
ATOM   2983 H HG23 . ILE   B 1 75  ? -17.657 -4.463  -12.267 1   24.402 ? 87  ILE   B HG23 1 c 2 
ATOM   2984 H HD11 . ILE   B 1 75  ? -16.298 -3.59   -8.656  1   21.978 ? 87  ILE   B HD11 1 c 2 
ATOM   2985 H HD12 . ILE   B 1 75  ? -16.737 -2.202  -8.01   1   22.056 ? 87  ILE   B HD12 1 c 2 
ATOM   2986 H HD13 . ILE   B 1 75  ? -16.267 -2.259  -9.53   1   23.175 ? 87  ILE   B HD13 1 c 2 
ATOM   2987 N N    . LYS   B 1 76  ? -20.185 -6.391  -9.229  1   21.193 ? 88  LYS   B N    1 ? 2 
ATOM   2988 C CA   . LYS   B 1 76  ? -20.834 -7.207  -8.201  1   22.708 ? 88  LYS   B CA   1 ? 2 
ATOM   2989 C C    . LYS   B 1 76  ? -20.643 -6.498  -6.854  1   21.114 ? 88  LYS   B C    1 ? 2 
ATOM   2990 O O    . LYS   B 1 76  ? -21.552 -6.541  -6.017  1   22.059 ? 88  LYS   B O    1 ? 2 
ATOM   2991 C CB   . LYS   B 1 76  ? -20.287 -8.652  -8.278  1   24.305 ? 88  LYS   B CB   1 ? 2 
ATOM   2992 H H    . LYS   B 1 76  ? -19.551 -6.788  -9.754  1   22.189 ? 88  LYS   B H    1 c 2 
ATOM   2993 H HA   . LYS   B 1 76  ? -21.804 -7.235  -8.401  1   23.361 ? 88  LYS   B HA   1 c 2 
ATOM   2994 H HB2  . LYS   B 1 76  ? -19.385 -8.638  -8.284  0   30     ? 88  LYS   B HB2  1 c 2 
ATOM   2995 H HB3  . LYS   B 1 76  ? -21.151 -9.216  -8.317  0   30     ? 88  LYS   B HB3  1 c 2 
ATOM   2996 N N    . ALA   B 1 77  ? -19.427 -6.02   -6.58   1   21.023 ? 89  ALA   B N    1 ? 2 
ATOM   2997 C CA   . ALA   B 1 77  ? -19.119 -5.427  -5.269  1   22.2   ? 89  ALA   B CA   1 ? 2 
ATOM   2998 C C    . ALA   B 1 77  ? -19.995 -4.218  -4.945  1   20.768 ? 89  ALA   B C    1 ? 2 
ATOM   2999 O O    . ALA   B 1 77  ? -20.328 -3.964  -3.79   1   22.272 ? 89  ALA   B O    1 ? 2 
ATOM   3000 C CB   . ALA   B 1 77  ? -17.689 -4.981  -5.149  1   20.226 ? 89  ALA   B CB   1 ? 2 
ATOM   3001 H H    . ALA   B 1 77  ? -18.767 -6.065  -7.212  1   21.215 ? 89  ALA   B H    1 c 2 
ATOM   3002 H HA   . ALA   B 1 77  ? -19.293 -6.122  -4.575  1   21.168 ? 89  ALA   B HA   1 c 2 
ATOM   3003 H HB1  . ALA   B 1 77  ? -17.098 -5.745  -5.249  1   20.52  ? 89  ALA   B HB1  1 c 2 
ATOM   3004 H HB2  . ALA   B 1 77  ? -17.491 -4.33   -5.843  1   20.914 ? 89  ALA   B HB2  1 c 2 
ATOM   3005 H HB3  . ALA   B 1 77  ? -17.545 -4.576  -4.277  1   20.431 ? 89  ALA   B HB3  1 c 2 
ATOM   3006 N N    . TRP   B 1 78  ? -20.55  -3.51   -5.953  1   20.429 ? 90  TRP   B N    1 ? 2 
ATOM   3007 C CA   . TRP   B 1 78  ? -21.409 -2.382  -5.679  1   21.288 ? 90  TRP   B CA   1 ? 2 
ATOM   3008 C C    . TRP   B 1 78  ? -22.799 -2.896  -5.341  1   20.821 ? 90  TRP   B C    1 ? 2 
ATOM   3009 O O    . TRP   B 1 78  ? -23.461 -2.319  -4.467  1   24.792 ? 90  TRP   B O    1 ? 2 
ATOM   3010 C CB   . TRP   B 1 78  ? -21.446 -1.396  -6.852  1   21.583 ? 90  TRP   B CB   1 ? 2 
ATOM   3011 C CG   . TRP   B 1 78  ? -20.401 -0.315  -6.811  1   21.39  ? 90  TRP   B CG   1 ? 2 
ATOM   3012 C CD1  . TRP   B 1 78  ? -19.059 -0.314  -6.522  1   24.556 ? 90  TRP   B CD1  1 ? 2 
ATOM   3013 C CD2  . TRP   B 1 78  ? -20.748 1.068   -7.013  1   23.87  ? 90  TRP   B CD2  1 ? 2 
ATOM   3014 N NE1  . TRP   B 1 78  ? -18.525 0.957   -6.627  1   24.546 ? 90  TRP   B NE1  1 ? 2 
ATOM   3015 C CE2  . TRP   B 1 78  ? -19.552 1.841   -6.881  1   23.491 ? 90  TRP   B CE2  1 ? 2 
ATOM   3016 C CE3  . TRP   B 1 78  ? -21.955 1.706   -7.308  1   27.227 ? 90  TRP   B CE3  1 ? 2 
ATOM   3017 C CZ2  . TRP   B 1 78  ? -19.545 3.216   -7.047  1   23.5   ? 90  TRP   B CZ2  1 ? 2 
ATOM   3018 C CZ3  . TRP   B 1 78  ? -21.932 3.078   -7.475  1   29.477 ? 90  TRP   B CZ3  1 ? 2 
ATOM   3019 C CH2  . TRP   B 1 78  ? -20.728 3.828   -7.33   1   24.936 ? 90  TRP   B CH2  1 ? 2 
ATOM   3020 H H    . TRP   B 1 78  ? -20.373 -3.734  -6.821  1   20.987 ? 90  TRP   B H    1 c 2 
ATOM   3021 H HA   . TRP   B 1 78  ? -21.051 -1.9    -4.885  1   20.556 ? 90  TRP   B HA   1 c 2 
ATOM   3022 H HB2  . TRP   B 1 78  ? -21.343 -1.902  -7.686  1   21.963 ? 90  TRP   B HB2  1 c 2 
ATOM   3023 H HB3  . TRP   B 1 78  ? -22.333 -0.978  -6.876  1   22.518 ? 90  TRP   B HB3  1 c 2 
ATOM   3024 H HD1  . TRP   B 1 78  ? -18.546 -1.091  -6.366  1   22.765 ? 90  TRP   B HD1  1 c 2 
ATOM   3025 H HE1  . TRP   B 1 78  ? -17.701 1.171   -6.477  1   23.981 ? 90  TRP   B HE1  1 c 2 
ATOM   3026 H HE3  . TRP   B 1 78  ? -22.754 1.216   -7.401  1   27.148 ? 90  TRP   B HE3  1 c 2 
ATOM   3027 H HZ2  . TRP   B 1 78  ? -18.748 3.71    -6.962  1   24.11  ? 90  TRP   B HZ2  1 c 2 
ATOM   3028 H HZ3  . TRP   B 1 78  ? -22.737 3.532   -7.659  1   29.083 ? 90  TRP   B HZ3  1 c 2 
ATOM   3029 H HH2  . TRP   B 1 78  ? -20.749 4.762   -7.439  1   26.874 ? 90  TRP   B HH2  1 c 2 
ATOM   3030 N N    . ASP   B 1 79  ? -23.285 -3.917  -6.064  1   21.762 ? 91  ASP   B N    1 ? 2 
ATOM   3031 C CA   . ASP   B 1 79  ? -24.594 -4.475  -5.784  1   25.739 ? 91  ASP   B CA   1 ? 2 
ATOM   3032 C C    . ASP   B 1 79  ? -24.578 -4.993  -4.351  1   27.073 ? 91  ASP   B C    1 ? 2 
ATOM   3033 O O    . ASP   B 1 79  ? -25.584 -4.876  -3.654  1   28.138 ? 91  ASP   B O    1 ? 2 
ATOM   3034 C CB   . ASP   B 1 79  ? -25.026 -5.568  -6.749  1   27.883 ? 91  ASP   B CB   1 ? 2 
ATOM   3035 C CG   . ASP   B 1 79  ? -25.497 -5.073  -8.112  1   30.848 ? 91  ASP   B CG   1 ? 2 
ATOM   3036 O OD1  . ASP   B 1 79  ? -25.951 -3.926  -8.201  1   31.88  ? 91  ASP   B OD1  1 ? 2 
ATOM   3037 O OD2  . ASP   B 1 79  ? -25.524 -5.892  -9.025  1   32.36  ? 91  ASP   B OD2  1 ? 2 
ATOM   3038 H H    . ASP   B 1 79  ? -22.791 -4.265  -6.75   1   22.147 ? 91  ASP   B H    1 c 2 
ATOM   3039 H HA   . ASP   B 1 79  ? -25.253 -3.749  -5.839  1   26.497 ? 91  ASP   B HA   1 c 2 
ATOM   3040 H HB2  . ASP   B 1 79  ? -24.272 -6.178  -6.89   1   27.313 ? 91  ASP   B HB2  1 c 2 
ATOM   3041 H HB3  . ASP   B 1 79  ? -25.756 -6.08   -6.344  1   28.76  ? 91  ASP   B HB3  1 c 2 
ATOM   3042 N N    . ILE   B 1 80  ? -23.478 -5.632  -3.964  1   20.71  ? 92  ILE   B N    1 ? 2 
ATOM   3043 C CA   . ILE   B 1 80  ? -23.335 -6.14   -2.588  1   20.284 ? 92  ILE   B CA   1 ? 2 
ATOM   3044 C C    . ILE   B 1 80  ? -23.188 -5.002  -1.562  1   21.419 ? 92  ILE   B C    1 ? 2 
ATOM   3045 O O    . ILE   B 1 80  ? -23.91  -4.93   -0.578  1   23.255 ? 92  ILE   B O    1 ? 2 
ATOM   3046 C CB   . ILE   B 1 80  ? -22.168 -7.125  -2.515  1   21.343 ? 92  ILE   B CB   1 ? 2 
ATOM   3047 C CG1  . ILE   B 1 80  ? -22.417 -8.407  -3.238  1   22.872 ? 92  ILE   B CG1  1 ? 2 
ATOM   3048 C CG2  . ILE   B 1 80  ? -21.722 -7.417  -1.059  1   24.868 ? 92  ILE   B CG2  1 ? 2 
ATOM   3049 C CD1  . ILE   B 1 80  ? -21.113 -9.088  -3.664  1   24.456 ? 92  ILE   B CD1  1 ? 2 
ATOM   3050 H H    . ILE   B 1 80  ? -22.799 -5.771  -4.561  1   21.276 ? 92  ILE   B H    1 c 2 
ATOM   3051 H HA   . ILE   B 1 80  ? -24.149 -6.633  -2.37   1   21.93  ? 92  ILE   B HA   1 c 2 
ATOM   3052 H HB   . ILE   B 1 80  ? -21.411 -6.694  -2.96   1   21.027 ? 92  ILE   B HB   1 c 2 
ATOM   3053 H HG12 . ILE   B 1 80  ? -22.92  -9.011  -2.655  1   23.949 ? 92  ILE   B HG12 1 c 2 
ATOM   3054 H HG13 . ILE   B 1 80  ? -22.96  -8.228  -4.033  1   23.606 ? 92  ILE   B HG13 1 c 2 
ATOM   3055 H HG21 . ILE   B 1 80  ? -21.167 -8.214  -1.039  1   23.622 ? 92  ILE   B HG21 1 c 2 
ATOM   3056 H HG22 . ILE   B 1 80  ? -22.504 -7.556  -0.5    1   24.6   ? 92  ILE   B HG22 1 c 2 
ATOM   3057 H HG23 . ILE   B 1 80  ? -21.211 -6.664  -0.716  1   23.199 ? 92  ILE   B HG23 1 c 2 
ATOM   3058 H HD11 . ILE   B 1 80  ? -20.573 -8.467  -4.188  1   23.112 ? 92  ILE   B HD11 1 c 2 
ATOM   3059 H HD12 . ILE   B 1 80  ? -21.321 -9.872  -4.207  1   24.336 ? 92  ILE   B HD12 1 c 2 
ATOM   3060 H HD13 . ILE   B 1 80  ? -20.61  -9.367  -2.876  1   23.506 ? 92  ILE   B HD13 1 c 2 
ATOM   3061 N N    . GLY   B 1 81  ? -22.318 -4.052  -1.823  1   19.93  ? 93  GLY   B N    1 ? 2 
ATOM   3062 C CA   . GLY   B 1 81  ? -22.001 -2.982  -0.867  1   23.078 ? 93  GLY   B CA   1 ? 2 
ATOM   3063 C C    . GLY   B 1 81  ? -23.021 -1.899  -0.7    1   23.037 ? 93  GLY   B C    1 ? 2 
ATOM   3064 O O    . GLY   B 1 81  ? -23.337 -1.559  0.426   1   21.341 ? 93  GLY   B O    1 ? 2 
ATOM   3065 H H    . GLY   B 1 81  ? -21.888 -4.055  -2.63   1   20.37  ? 93  GLY   B H    1 c 2 
ATOM   3066 H HA2  . GLY   B 1 81  ? -21.842 -3.398  0.012   1   22.106 ? 93  GLY   B HA2  1 c 2 
ATOM   3067 H HA3  . GLY   B 1 81  ? -21.152 -2.568  -1.147  1   21.467 ? 93  GLY   B HA3  1 c 2 
ATOM   3068 N N    . VAL   B 1 82  ? -23.639 -1.421  -1.802  1   23.561 ? 94  VAL   B N    1 ? 2 
ATOM   3069 C CA   . VAL   B 1 82  ? -24.629 -0.399  -1.72   1   24.352 ? 94  VAL   B CA   1 ? 2 
ATOM   3070 C C    . VAL   B 1 82  ? -25.875 -0.971  -1.037  1   24.88  ? 94  VAL   B C    1 ? 2 
ATOM   3071 O O    . VAL   B 1 82  ? -26.476 -0.238  -0.318  1   26.53  ? 94  VAL   B O    1 ? 2 
ATOM   3072 C CB   . VAL   B 1 82  ? -24.926 0.232   -3.092  1   26.966 ? 94  VAL   B CB   1 ? 2 
ATOM   3073 C CG1  . VAL   B 1 82  ? -26.011 1.277   -3.005  1   32.654 ? 94  VAL   B CG1  1 ? 2 
ATOM   3074 C CG2  . VAL   B 1 82  ? -23.626 0.869   -3.624  1   25.444 ? 94  VAL   B CG2  1 ? 2 
ATOM   3075 H H    . VAL   B 1 82  ? -23.425 -1.764  -2.621  1   23.191 ? 94  VAL   B H    1 c 2 
ATOM   3076 H HA   . VAL   B 1 82  ? -24.274 0.307   -1.145  1   24.633 ? 94  VAL   B HA   1 c 2 
ATOM   3077 H HB   . VAL   B 1 82  ? -25.212 -0.487  -3.702  1   27.238 ? 94  VAL   B HB   1 c 2 
ATOM   3078 H HG11 . VAL   B 1 82  ? -25.894 1.8     -2.195  1   31.389 ? 94  VAL   B HG11 1 c 2 
ATOM   3079 H HG12 . VAL   B 1 82  ? -26.88  0.843   -2.987  1   32.114 ? 94  VAL   B HG12 1 c 2 
ATOM   3080 H HG13 . VAL   B 1 82  ? -25.96  1.864   -3.778  1   31.703 ? 94  VAL   B HG13 1 c 2 
ATOM   3081 H HG21 . VAL   B 1 82  ? -23.81  1.335   -4.457  1   26.294 ? 94  VAL   B HG21 1 c 2 
ATOM   3082 H HG22 . VAL   B 1 82  ? -22.963 0.177   -3.781  1   24.789 ? 94  VAL   B HG22 1 c 2 
ATOM   3083 H HG23 . VAL   B 1 82  ? -23.284 1.501   -2.969  1   25.608 ? 94  VAL   B HG23 1 c 2 
ATOM   3084 N N    . ALA   B 1 83  ? -26.143 -2.262  -1.173  1   24.602 ? 95  ALA   B N    1 ? 2 
ATOM   3085 C CA   . ALA   B 1 83  ? -27.314 -2.856  -0.521  1   25.754 ? 95  ALA   B CA   1 ? 2 
ATOM   3086 C C    . ALA   B 1 83  ? -27.15  -2.734  1.005   1   26.373 ? 95  ALA   B C    1 ? 2 
ATOM   3087 O O    . ALA   B 1 83  ? -28.137 -2.911  1.693   1   29.771 ? 95  ALA   B O    1 ? 2 
ATOM   3088 C CB   . ALA   B 1 83  ? -27.451 -4.305  -0.92   1   26.551 ? 95  ALA   B CB   1 ? 2 
ATOM   3089 H H    . ALA   B 1 83  ? -25.602 -2.792  -1.684  1   23.868 ? 95  ALA   B H    1 c 2 
ATOM   3090 H HA   . ALA   B 1 83  ? -28.127 -2.35   -0.799  1   27.097 ? 95  ALA   B HA   1 c 2 
ATOM   3091 H HB1  . ALA   B 1 83  ? -27.689 -4.365  -1.861  1   26.573 ? 95  ALA   B HB1  1 c 2 
ATOM   3092 H HB2  . ALA   B 1 83  ? -26.609 -4.767  -0.772  1   25.341 ? 95  ALA   B HB2  1 c 2 
ATOM   3093 H HB3  . ALA   B 1 83  ? -28.146 -4.727  -0.387  1   27.586 ? 95  ALA   B HB3  1 c 2 
ATOM   3094 N N    . THR   B 1 84  ? -25.913 -2.61   1.523   1   26.159 ? 96  THR   B N    1 ? 2 
ATOM   3095 C CA   . THR   B 1 84  ? -25.716 -2.523  2.987   1   27.72  ? 96  THR   B CA   1 ? 2 
ATOM   3096 C C    . THR   B 1 84  ? -25.809 -1.117  3.559   1   33.052 ? 96  THR   B C    1 ? 2 
ATOM   3097 O O    . THR   B 1 84  ? -25.787 -0.966  4.797   1   29.778 ? 96  THR   B O    1 ? 2 
ATOM   3098 C CB   . THR   B 1 84  ? -24.375 -3.072  3.396   1   26.318 ? 96  THR   B CB   1 ? 2 
ATOM   3099 O OG1  . THR   B 1 84  ? -23.351 -2.143  2.971   1   24.051 ? 96  THR   B OG1  1 ? 2 
ATOM   3100 C CG2  . THR   B 1 84  ? -24.174 -4.485  2.884   1   27.006 ? 96  THR   B CG2  1 ? 2 
ATOM   3101 H H    . THR   B 1 84  ? -25.182 -2.597  0.976   1   25.032 ? 96  THR   B H    1 c 2 
ATOM   3102 H HA   . THR   B 1 84  ? -26.407 -3.072  3.416   1   29.393 ? 96  THR   B HA   1 c 2 
ATOM   3103 H HB   . THR   B 1 84  ? -24.355 -3.123  4.381   1   27.109 ? 96  THR   B HB   1 c 2 
ATOM   3104 H HG1  . THR   B 1 84  ? -23.393 -2.067  2.118   0   30     ? 96  THR   B HG1  1 c 2 
ATOM   3105 H HG21 . THR   B 1 84  ? -23.386 -4.872  3.301   1   26.237 ? 96  THR   B HG21 1 c 2 
ATOM   3106 H HG22 . THR   B 1 84  ? -24.054 -4.468  1.921   1   25.928 ? 96  THR   B HG22 1 c 2 
ATOM   3107 H HG23 . THR   B 1 84  ? -24.953 -5.024  3.104   1   27.754 ? 96  THR   B HG23 1 c 2 
ATOM   3108 N N    . MET   B 1 85  ? -25.988 -0.103  2.701   1   29.65  ? 97  MET   B N    1 ? 2 
ATOM   3109 C CA   . MET   B 1 85  ? -25.882 1.302   3.092   1   29.929 ? 97  MET   B CA   1 ? 2 
ATOM   3110 C C    . MET   B 1 85  ? -27.219 1.96    3.376   1   30.321 ? 97  MET   B C    1 ? 2 
ATOM   3111 O O    . MET   B 1 85  ? -28.239 1.597   2.776   1   30.928 ? 97  MET   B O    1 ? 2 
ATOM   3112 C CB   . MET   B 1 85  ? -25.171 2.099   1.983   1   27.299 ? 97  MET   B CB   1 ? 2 
ATOM   3113 C CG   . MET   B 1 85  ? -23.713 1.651   1.762   1   26.654 ? 97  MET   B CG   1 ? 2 
ATOM   3114 S SD   . MET   B 1 85  ? -23.022 2.625   0.411   1   27.326 ? 97  MET   B SD   1 ? 2 
ATOM   3115 C CE   . MET   B 1 85  ? -22.78  4.237   1.207   1   28.631 ? 97  MET   B CE   1 ? 2 
ATOM   3116 H H    . MET   B 1 85  ? -26.187 -0.292  1.83    1   29.969 ? 97  MET   B H    1 c 2 
ATOM   3117 H HA   . MET   B 1 85  ? -25.336 1.347   3.917   1   29.334 ? 97  MET   B HA   1 c 2 
ATOM   3118 H HB2  . MET   B 1 85  ? -25.671 1.99    1.146   1   28.022 ? 97  MET   B HB2  1 c 2 
ATOM   3119 H HB3  . MET   B 1 85  ? -25.184 3.05    2.221   1   28.588 ? 97  MET   B HB3  1 c 2 
ATOM   3120 H HG2  . MET   B 1 85  ? -23.188 1.796   2.572   1   26.643 ? 97  MET   B HG2  1 c 2 
ATOM   3121 H HG3  . MET   B 1 85  ? -23.682 0.703   1.532   1   26.019 ? 97  MET   B HG3  1 c 2 
ATOM   3122 H HE1  . MET   B 1 85  ? -22.444 4.874   0.551   1   28.748 ? 97  MET   B HE1  1 c 2 
ATOM   3123 H HE2  . MET   B 1 85  ? -23.631 4.557   1.56    1   29.595 ? 97  MET   B HE2  1 c 2 
ATOM   3124 H HE3  . MET   B 1 85  ? -22.138 4.147   1.935   1   28.374 ? 97  MET   B HE3  1 c 2 
ATOM   3125 N N    . LYS   B 1 86  ? -27.253 2.907   4.334   1   32.464 ? 98  LYS   B N    1 ? 2 
ATOM   3126 C CA   . LYS   B 1 86  ? -28.433 3.703   4.636   1   34.475 ? 98  LYS   B CA   1 ? 2 
ATOM   3127 C C    . LYS   B 1 86  ? -28.413 5.025   3.877   1   33.778 ? 98  LYS   B C    1 ? 2 
ATOM   3128 O O    . LYS   B 1 86  ? -27.372 5.507   3.479   1   32.412 ? 98  LYS   B O    1 ? 2 
ATOM   3129 C CB   . LYS   B 1 86  ? -28.549 4.026   6.129   1   37.494 ? 98  LYS   B CB   1 ? 2 
ATOM   3130 C CG   . LYS   B 1 86  ? -28.76  2.711   6.871   1   43.036 ? 98  LYS   B CG   1 ? 2 
ATOM   3131 C CD   . LYS   B 1 86  ? -28.847 2.954   8.361   1   55.988 ? 98  LYS   B CD   1 ? 2 
ATOM   3132 C CE   . LYS   B 1 86  ? -29.174 1.691   9.052   1   61.037 ? 98  LYS   B CE   1 ? 2 
ATOM   3133 N NZ   . LYS   B 1 86  ? -29.416 2.08    10.435  1   68.688 ? 98  LYS   B NZ   1 ? 2 
ATOM   3134 H H    . LYS   B 1 86  ? -26.495 3.059   4.822   1   31.738 ? 98  LYS   B H    1 c 2 
ATOM   3135 H HA   . LYS   B 1 86  ? -29.236 3.191   4.362   1   35.252 ? 98  LYS   B HA   1 c 2 
ATOM   3136 H HB2  . LYS   B 1 86  ? -27.729 4.458   6.451   1   37.727 ? 98  LYS   B HB2  1 c 2 
ATOM   3137 H HB3  . LYS   B 1 86  ? -29.309 4.623   6.293   1   39.805 ? 98  LYS   B HB3  1 c 2 
ATOM   3138 H HG2  . LYS   B 1 86  ? -29.591 2.293   6.556   1   44.557 ? 98  LYS   B HG2  1 c 2 
ATOM   3139 H HG3  . LYS   B 1 86  ? -28.011 2.106   6.68    1   42.301 ? 98  LYS   B HG3  1 c 2 
ATOM   3140 H HD2  . LYS   B 1 86  ? -27.985 3.292   8.689   1   53.405 ? 98  LYS   B HD2  1 c 2 
ATOM   3141 H HD3  . LYS   B 1 86  ? -29.539 3.623   8.547   1   55.637 ? 98  LYS   B HD3  1 c 2 
ATOM   3142 H HE2  . LYS   B 1 86  ? -29.973 1.281   8.676   1   61.707 ? 98  LYS   B HE2  1 c 2 
ATOM   3143 H HE3  . LYS   B 1 86  ? -28.43  1.063   9.006   1   59.865 ? 98  LYS   B HE3  1 c 2 
ATOM   3144 H HZ1  . LYS   B 1 86  ? -30.159 2.597   10.489  1   68.231 ? 98  LYS   B HZ1  1 c 2 
ATOM   3145 H HZ2  . LYS   B 1 86  ? -28.707 2.541   10.762  1   66.439 ? 98  LYS   B HZ2  1 c 2 
ATOM   3146 H HZ3  . LYS   B 1 86  ? -29.539 1.338   10.94   1   67.693 ? 98  LYS   B HZ3  1 c 2 
ATOM   3147 N N    . LYS   B 1 87  ? -29.58  5.617   3.681   1   34.443 ? 99  LYS   B N    1 ? 2 
ATOM   3148 C CA   . LYS   B 1 87  ? -29.629 6.911   3.047   1   37.524 ? 99  LYS   B CA   1 ? 2 
ATOM   3149 C C    . LYS   B 1 87  ? -28.803 7.923   3.848   1   39.516 ? 99  LYS   B C    1 ? 2 
ATOM   3150 O O    . LYS   B 1 87  ? -28.994 8.032   5.06    1   39.582 ? 99  LYS   B O    1 ? 2 
ATOM   3151 C CB   . LYS   B 1 87  ? -31.099 7.353   2.993   1   43.902 ? 99  LYS   B CB   1 ? 2 
ATOM   3152 C CG   . LYS   B 1 87  ? -31.26  8.668   2.23    1   46.353 ? 99  LYS   B CG   1 ? 2 
ATOM   3153 C CD   . LYS   B 1 87  ? -32.704 9.049   1.89    1   52.704 ? 99  LYS   B CD   1 ? 2 
ATOM   3154 C CE   . LYS   B 1 87  ? -32.715 10.372  1.153   1   52.086 ? 99  LYS   B CE   1 ? 2 
ATOM   3155 N NZ   . LYS   B 1 87  ? -34.057 10.957  1.186   1   60.499 ? 99  LYS   B NZ   1 ? 2 
ATOM   3156 H H    . LYS   B 1 87  ? -30.356 5.213   3.946   1   36.333 ? 99  LYS   B H    1 c 2 
ATOM   3157 H HA   . LYS   B 1 87  ? -29.263 6.833   2.129   1   36.952 ? 99  LYS   B HA   1 c 2 
ATOM   3158 H HB2  . LYS   B 1 87  ? -31.634 6.659   2.552   1   43.231 ? 99  LYS   B HB2  1 c 2 
ATOM   3159 H HB3  . LYS   B 1 87  ? -31.439 7.469   3.906   1   44.383 ? 99  LYS   B HB3  1 c 2 
ATOM   3160 H HG2  . LYS   B 1 87  ? -30.864 9.388   2.767   1   47.272 ? 99  LYS   B HG2  1 c 2 
ATOM   3161 H HG3  . LYS   B 1 87  ? -30.746 8.605   1.396   1   45.706 ? 99  LYS   B HG3  1 c 2 
ATOM   3162 H HD2  . LYS   B 1 87  ? -33.106 8.355   1.323   1   51.167 ? 99  LYS   B HD2  1 c 2 
ATOM   3163 H HD3  . LYS   B 1 87  ? -33.229 9.13    2.716   1   52.723 ? 99  LYS   B HD3  1 c 2 
ATOM   3164 H HE2  . LYS   B 1 87  ? -32.084 10.991  1.561   1   53.515 ? 99  LYS   B HE2  1 c 2 
ATOM   3165 H HE3  . LYS   B 1 87  ? -32.458 10.232  0.225   1   52.9   ? 99  LYS   B HE3  1 c 2 
ATOM   3166 H HZ1  . LYS   B 1 87  ? -34.294 11.135  2.042   1   59.642 ? 99  LYS   B HZ1  1 c 2 
ATOM   3167 H HZ2  . LYS   B 1 87  ? -34.653 10.378  0.826   1   59.069 ? 99  LYS   B HZ2  1 c 2 
ATOM   3168 H HZ3  . LYS   B 1 87  ? -34.067 11.728  0.709   1   59.714 ? 99  LYS   B HZ3  1 c 2 
ATOM   3169 N N    . GLY   B 1 88  ? -27.866 8.622   3.162   1   36.96  ? 100 GLY   B N    1 ? 2 
ATOM   3170 C CA   . GLY   B 1 88  ? -26.999 9.626   3.783   1   37.761 ? 100 GLY   B CA   1 ? 2 
ATOM   3171 C C    . GLY   B 1 88  ? -25.636 9.054   4.2     1   36.022 ? 100 GLY   B C    1 ? 2 
ATOM   3172 O O    . GLY   B 1 88  ? -24.738 9.778   4.571   1   36.358 ? 100 GLY   B O    1 ? 2 
ATOM   3173 H H    . GLY   B 1 88  ? -27.768 8.461   2.268   1   36.735 ? 100 GLY   B H    1 c 2 
ATOM   3174 H HA2  . GLY   B 1 88  ? -26.86  10.364  3.144   1   38.223 ? 100 GLY   B HA2  1 c 2 
ATOM   3175 H HA3  . GLY   B 1 88  ? -27.453 9.998   4.575   1   39.161 ? 100 GLY   B HA3  1 c 2 
ATOM   3176 N N    . GLU   B 1 89  ? -25.495 7.73    4.186   1   34.438 ? 101 GLU   B N    1 ? 2 
ATOM   3177 C CA   . GLU   B 1 89  ? -24.245 7.107   4.605   1   31.205 ? 101 GLU   B CA   1 ? 2 
ATOM   3178 C C    . GLU   B 1 89  ? -23.132 7.378   3.585   1   28.856 ? 101 GLU   B C    1 ? 2 
ATOM   3179 O O    . GLU   B 1 89  ? -23.363 7.42    2.357   1   30.14  ? 101 GLU   B O    1 ? 2 
ATOM   3180 C CB   . GLU   B 1 89  ? -24.478 5.606   4.681   1   30.744 ? 101 GLU   B CB   1 ? 2 
ATOM   3181 C CG   . GLU   B 1 89  ? -23.329 4.765   5.238   1   31.863 ? 101 GLU   B CG   1 ? 2 
ATOM   3182 C CD   . GLU   B 1 89  ? -23.681 3.289   5.386   1   28.45  ? 101 GLU   B CD   1 ? 2 
ATOM   3183 O OE1  . GLU   B 1 89  ? -24.835 2.93    5.908   1   29.554 ? 101 GLU   B OE1  1 ? 2 
ATOM   3184 O OE2  . GLU   B 1 89  ? -22.785 2.457   4.915   1   28.11  ? 101 GLU   B OE2  1 ? 2 
ATOM   3185 H H    . GLU   B 1 89  ? -26.184 7.198   3.909   1   33.943 ? 101 GLU   B H    1 c 2 
ATOM   3186 H HA   . GLU   B 1 89  ? -23.99  7.463   5.49    1   32.265 ? 101 GLU   B HA   1 c 2 
ATOM   3187 H HB2  . GLU   B 1 89  ? -25.267 5.446   5.238   1   32.052 ? 101 GLU   B HB2  1 c 2 
ATOM   3188 H HB3  . GLU   B 1 89  ? -24.682 5.279   3.78    1   30.348 ? 101 GLU   B HB3  1 c 2 
ATOM   3189 H HG2  . GLU   B 1 89  ? -22.553 4.844   4.643   1   29.734 ? 101 GLU   B HG2  1 c 2 
ATOM   3190 H HG3  . GLU   B 1 89  ? -23.07  5.116   6.117   1   31.512 ? 101 GLU   B HG3  1 c 2 
ATOM   3191 N N    . ILE   B 1 90  ? -21.936 7.588   4.126   1   27.672 ? 102 ILE   B N    1 ? 2 
ATOM   3192 C CA   . ILE   B 1 90  ? -20.726 7.491   3.347   1   28.573 ? 102 ILE   B CA   1 ? 2 
ATOM   3193 C C    . ILE   B 1 90  ? -19.932 6.268   3.775   1   29.667 ? 102 ILE   B C    1 ? 2 
ATOM   3194 O O    . ILE   B 1 90  ? -19.644 6.113   4.961   1   29.056 ? 102 ILE   B O    1 ? 2 
ATOM   3195 C CB   . ILE   B 1 90  ? -19.908 8.777   3.423   1   30.766 ? 102 ILE   B CB   1 ? 2 
ATOM   3196 C CG1  . ILE   B 1 90  ? -20.673 9.98    2.905   1   32.797 ? 102 ILE   B CG1  1 ? 2 
ATOM   3197 C CG2  . ILE   B 1 90  ? -18.572 8.61    2.697   1   31.231 ? 102 ILE   B CG2  1 ? 2 
ATOM   3198 C CD1  . ILE   B 1 90  ? -20.038 11.29   3.272   1   34.555 ? 102 ILE   B CD1  1 ? 2 
ATOM   3199 H H    . ILE   B 1 90  ? -21.873 7.802   5.012   1   29.18  ? 102 ILE   B H    1 c 2 
ATOM   3200 H HA   . ILE   B 1 90  ? -20.984 7.367   2.416   1   28.246 ? 102 ILE   B HA   1 c 2 
ATOM   3201 H HB   . ILE   B 1 90  ? -19.711 8.942   4.367   1   31.64  ? 102 ILE   B HB   1 c 2 
ATOM   3202 H HG12 . ILE   B 1 90  ? -20.734 9.919   1.93    1   32.202 ? 102 ILE   B HG12 1 c 2 
ATOM   3203 H HG13 . ILE   B 1 90  ? -21.583 9.958   3.266   1   33.088 ? 102 ILE   B HG13 1 c 2 
ATOM   3204 H HG21 . ILE   B 1 90  ? -18.118 9.467   2.643   1   32.005 ? 102 ILE   B HG21 1 c 2 
ATOM   3205 H HG22 . ILE   B 1 90  ? -18.73  8.274   1.799   1   30.085 ? 102 ILE   B HG22 1 c 2 
ATOM   3206 H HG23 . ILE   B 1 90  ? -18.012 7.982   3.182   1   30.211 ? 102 ILE   B HG23 1 c 2 
ATOM   3207 H HD11 . ILE   B 1 90  ? -19.93  11.341  4.241   1   35.206 ? 102 ILE   B HD11 1 c 2 
ATOM   3208 H HD12 . ILE   B 1 90  ? -20.609 12.02   2.971   1   35.936 ? 102 ILE   B HD12 1 c 2 
ATOM   3209 H HD13 . ILE   B 1 90  ? -19.164 11.369  2.845   1   34.477 ? 102 ILE   B HD13 1 c 2 
ATOM   3210 N N    . ALA   B 1 91  ? -19.535 5.45    2.787   1   24.395 ? 103 ALA   B N    1 ? 2 
ATOM   3211 C CA   . ALA   B 1 91  ? -18.763 4.238   3.073   1   25.483 ? 103 ALA   B CA   1 ? 2 
ATOM   3212 C C    . ALA   B 1 91  ? -17.513 4.141   2.184   1   24.912 ? 103 ALA   B C    1 ? 2 
ATOM   3213 O O    . ALA   B 1 91  ? -17.495 4.739   1.075   1   24.541 ? 103 ALA   B O    1 ? 2 
ATOM   3214 C CB   . ALA   B 1 91  ? -19.644 3.066   2.921   1   23.626 ? 103 ALA   B CB   1 ? 2 
ATOM   3215 H H    . ALA   B 1 91  ? -19.745 5.647   1.919   1   25.613 ? 103 ALA   B H    1 c 2 
ATOM   3216 H HA   . ALA   B 1 91  ? -18.458 4.285   4.019   1   25.405 ? 103 ALA   B HA   1 c 2 
ATOM   3217 H HB1  . ALA   B 1 91  ? -20.389 3.135   3.541   1   24.631 ? 103 ALA   B HB1  1 c 2 
ATOM   3218 H HB2  . ALA   B 1 91  ? -19.985 3.029   2.012   1   23.592 ? 103 ALA   B HB2  1 c 2 
ATOM   3219 H HB3  . ALA   B 1 91  ? -19.143 2.255   3.109   1   23.319 ? 103 ALA   B HB3  1 c 2 
ATOM   3220 N N    . HIS   B 1 92  ? -16.474 3.469   2.686   1   22.277 ? 104 HIS   B N    1 ? 2 
ATOM   3221 C CA   . HIS   B 1 92  ? -15.299 3.125   1.9     1   22.705 ? 104 HIS   B CA   1 ? 2 
ATOM   3222 C C    . HIS   B 1 92  ? -15.369 1.639   1.583   1   25.716 ? 104 HIS   B C    1 ? 2 
ATOM   3223 O O    . HIS   B 1 92  ? -15.623 0.844   2.485   1   24.379 ? 104 HIS   B O    1 ? 2 
ATOM   3224 C CB   . HIS   B 1 92  ? -14.01  3.395   2.654   1   24.336 ? 104 HIS   B CB   1 ? 2 
ATOM   3225 C CG   . HIS   B 1 92  ? -13.612 4.836   2.694   1   25.329 ? 104 HIS   B CG   1 ? 2 
ATOM   3226 N ND1  . HIS   B 1 92  ? -12.541 5.345   3.377   1   25.777 ? 104 HIS   B ND1  1 ? 2 
ATOM   3227 C CD2  . HIS   B 1 92  ? -14.237 5.876   2.12    1   27.773 ? 104 HIS   B CD2  1 ? 2 
ATOM   3228 C CE1  . HIS   B 1 92  ? -12.483 6.632   3.185   1   26.851 ? 104 HIS   B CE1  1 ? 2 
ATOM   3229 N NE2  . HIS   B 1 92  ? -13.503 6.988   2.432   1   27.906 ? 104 HIS   B NE2  1 ? 2 
ATOM   3230 H H    . HIS   B 1 92  ? -16.499 3.212   3.563   1   23.299 ? 104 HIS   B H    1 c 2 
ATOM   3231 H HA   . HIS   B 1 92  ? -15.308 3.63    1.054   1   23.541 ? 104 HIS   B HA   1 c 2 
ATOM   3232 H HB2  . HIS   B 1 92  ? -14.111 3.069   3.575   1   24.223 ? 104 HIS   B HB2  1 c 2 
ATOM   3233 H HB3  . HIS   B 1 92  ? -13.286 2.879   2.236   1   23.661 ? 104 HIS   B HB3  1 c 2 
ATOM   3234 H HD1  . HIS   B 1 92  ? -11.983 4.858   3.847   0   30     ? 104 HIS   B HD1  1 c 2 
ATOM   3235 H HD2  . HIS   B 1 92  ? -15.004 5.857   1.582   1   26.472 ? 104 HIS   B HD2  1 c 2 
ATOM   3236 H HE1  . HIS   B 1 92  ? -11.836 7.212   3.548   1   28.649 ? 104 HIS   B HE1  1 c 2 
ATOM   3237 H HE2  . HIS   B 1 92  ? -13.698 7.825   2.218   0   30     ? 104 HIS   B HE2  1 c 2 
ATOM   3238 N N    . LEU   B 1 93  ? -15.215 1.261   0.303   1   20.629 ? 105 LEU   B N    1 ? 2 
ATOM   3239 C CA   . LEU   B 1 93  ? -15.121 -0.145  -0.104  1   22.857 ? 105 LEU   B CA   1 ? 2 
ATOM   3240 C C    . LEU   B 1 93  ? -13.745 -0.448  -0.685  1   22.93  ? 105 LEU   B C    1 ? 2 
ATOM   3241 O O    . LEU   B 1 93  ? -13.228 0.32    -1.492  1   23.748 ? 105 LEU   B O    1 ? 2 
ATOM   3242 C CB   . LEU   B 1 93  ? -16.175 -0.523  -1.149  1   20.531 ? 105 LEU   B CB   1 ? 2 
ATOM   3243 C CG   . LEU   B 1 93  ? -17.652 -0.327  -0.789  1   22.728 ? 105 LEU   B CG   1 ? 2 
ATOM   3244 C CD1  . LEU   B 1 93  ? -18.495 -0.731  -1.999  1   23.7   ? 105 LEU   B CD1  1 ? 2 
ATOM   3245 C CD2  . LEU   B 1 93  ? -18.002 -1.059  0.451   1   21.523 ? 105 LEU   B CD2  1 ? 2 
ATOM   3246 H H    . LEU   B 1 93  ? -15.168 1.904   -0.345  1   22.617 ? 105 LEU   B H    1 c 2 
ATOM   3247 H HA   . LEU   B 1 93  ? -15.251 -0.705  0.698   1   21.803 ? 105 LEU   B HA   1 c 2 
ATOM   3248 H HB2  . LEU   B 1 93  ? -15.989 -0.005  -1.966  1   21.618 ? 105 LEU   B HB2  1 c 2 
ATOM   3249 H HB3  . LEU   B 1 93  ? -16.042 -1.471  -1.383  1   20.925 ? 105 LEU   B HB3  1 c 2 
ATOM   3250 H HG   . LEU   B 1 93  ? -17.802 0.64    -0.623  1   22.872 ? 105 LEU   B HG   1 c 2 
ATOM   3251 H HD11 . LEU   B 1 93  ? -18.256 -0.178  -2.761  1   23.615 ? 105 LEU   B HD11 1 c 2 
ATOM   3252 H HD12 . LEU   B 1 93  ? -19.437 -0.61   -1.794  1   23.75  ? 105 LEU   B HD12 1 c 2 
ATOM   3253 H HD13 . LEU   B 1 93  ? -18.329 -1.665  -2.213  1   22.961 ? 105 LEU   B HD13 1 c 2 
ATOM   3254 H HD21 . LEU   B 1 93  ? -17.599 -0.616  1.216   1   22.258 ? 105 LEU   B HD21 1 c 2 
ATOM   3255 H HD22 . LEU   B 1 93  ? -17.671 -1.971  0.395   1   21.488 ? 105 LEU   B HD22 1 c 2 
ATOM   3256 H HD23 . LEU   B 1 93  ? -18.968 -1.074  0.558   1   22.195 ? 105 LEU   B HD23 1 c 2 
ATOM   3257 N N    . LEU   B 1 94  ? -13.207 -1.608  -0.357  1   21.385 ? 106 LEU   B N    1 ? 2 
ATOM   3258 C CA   . LEU   B 1 94  ? -12.018 -2.154  -0.985  1   23.014 ? 106 LEU   B CA   1 ? 2 
ATOM   3259 C C    . LEU   B 1 94  ? -12.422 -3.502  -1.585  1   23.091 ? 106 LEU   B C    1 ? 2 
ATOM   3260 O O    . LEU   B 1 94  ? -13.014 -4.332  -0.9    1   20.184 ? 106 LEU   B O    1 ? 2 
ATOM   3261 C CB   . LEU   B 1 94  ? -10.816 -2.313  -0.079  1   23.119 ? 106 LEU   B CB   1 ? 2 
ATOM   3262 C CG   . LEU   B 1 94  ? -9.474  -2.639  -0.732  1   24.386 ? 106 LEU   B CG   1 ? 2 
ATOM   3263 C CD1  . LEU   B 1 94  ? -8.951  -1.499  -1.678  1   24.144 ? 106 LEU   B CD1  1 ? 2 
ATOM   3264 C CD2  . LEU   B 1 94  ? -8.458  -2.928  0.256   1   27.919 ? 106 LEU   B CD2  1 ? 2 
ATOM   3265 H H    . LEU   B 1 94  ? -13.604 -2.098  0.305   1   21.87  ? 106 LEU   B H    1 c 2 
ATOM   3266 H HA   . LEU   B 1 94  ? -11.77  -1.554  -1.731  1   23.016 ? 106 LEU   B HA   1 c 2 
ATOM   3267 H HB2  . LEU   B 1 94  ? -10.712 -1.478  0.434   1   24.004 ? 106 LEU   B HB2  1 c 2 
ATOM   3268 H HB3  . LEU   B 1 94  ? -11.02  -3.022  0.573   1   23.27  ? 106 LEU   B HB3  1 c 2 
ATOM   3269 H HG   . LEU   B 1 94  ? -9.595  -3.454  -1.284  1   24.063 ? 106 LEU   B HG   1 c 2 
ATOM   3270 H HD11 . LEU   B 1 94  ? -9.604  -1.328  -2.375  1   24.034 ? 106 LEU   B HD11 1 c 2 
ATOM   3271 H HD12 . LEU   B 1 94  ? -8.111  -1.773  -2.084  1   25.029 ? 106 LEU   B HD12 1 c 2 
ATOM   3272 H HD13 . LEU   B 1 94  ? -8.81   -0.687  -1.162  1   25.103 ? 106 LEU   B HD13 1 c 2 
ATOM   3273 H HD21 . LEU   B 1 94  ? -8.736  -3.688  0.795   1   26.756 ? 106 LEU   B HD21 1 c 2 
ATOM   3274 H HD22 . LEU   B 1 94  ? -8.332  -2.154  0.829   1   27.711 ? 106 LEU   B HD22 1 c 2 
ATOM   3275 H HD23 . LEU   B 1 94  ? -7.621  -3.139  -0.191  1   27.583 ? 106 LEU   B HD23 1 c 2 
ATOM   3276 N N    . ILE   B 1 95  ? -12.082 -3.713  -2.866  1   19.709 ? 107 ILE   B N    1 ? 2 
ATOM   3277 C CA   . ILE   B 1 95  ? -12.714 -4.74   -3.686  1   23.02  ? 107 ILE   B CA   1 ? 2 
ATOM   3278 C C    . ILE   B 1 95  ? -11.677 -5.585  -4.438  1   26.377 ? 107 ILE   B C    1 ? 2 
ATOM   3279 O O    . ILE   B 1 95  ? -10.868 -5.039  -5.189  1   22.882 ? 107 ILE   B O    1 ? 2 
ATOM   3280 C CB   . ILE   B 1 95  ? -13.657 -4.062  -4.685  1   23.46  ? 107 ILE   B CB   1 ? 2 
ATOM   3281 C CG1  . ILE   B 1 95  ? -14.779 -3.238  -3.914  1   21.185 ? 107 ILE   B CG1  1 ? 2 
ATOM   3282 C CG2  . ILE   B 1 95  ? -14.207 -5.145  -5.606  1   21.027 ? 107 ILE   B CG2  1 ? 2 
ATOM   3283 C CD1  . ILE   B 1 95  ? -15.416 -2.197  -4.802  1   22.72  ? 107 ILE   B CD1  1 ? 2 
ATOM   3284 H H    . ILE   B 1 95  ? -11.426 -3.198  -3.241  1   21.776 ? 107 ILE   B H    1 c 2 
ATOM   3285 H HA   . ILE   B 1 95  ? -13.241 -5.324  -3.109  1   22.476 ? 107 ILE   B HA   1 c 2 
ATOM   3286 H HB   . ILE   B 1 95  ? -13.132 -3.436  -5.223  1   22.998 ? 107 ILE   B HB   1 c 2 
ATOM   3287 H HG12 . ILE   B 1 95  ? -15.468 -3.855  -3.594  1   21.61  ? 107 ILE   B HG12 1 c 2 
ATOM   3288 H HG13 . ILE   B 1 95  ? -14.383 -2.794  -3.138  1   21.935 ? 107 ILE   B HG13 1 c 2 
ATOM   3289 H HG21 . ILE   B 1 95  ? -15.031 -4.833  -6.016  1   21.832 ? 107 ILE   B HG21 1 c 2 
ATOM   3290 H HG22 . ILE   B 1 95  ? -14.388 -5.951  -5.094  1   21.498 ? 107 ILE   B HG22 1 c 2 
ATOM   3291 H HG23 . ILE   B 1 95  ? -13.559 -5.342  -6.303  1   22.093 ? 107 ILE   B HG23 1 c 2 
ATOM   3292 H HD11 . ILE   B 1 95  ? -14.718 -1.695  -5.263  1   22.808 ? 107 ILE   B HD11 1 c 2 
ATOM   3293 H HD12 . ILE   B 1 95  ? -15.951 -1.586  -4.261  1   22.495 ? 107 ILE   B HD12 1 c 2 
ATOM   3294 H HD13 . ILE   B 1 95  ? -15.989 -2.633  -5.46   1   22.441 ? 107 ILE   B HD13 1 c 2 
ATOM   3295 N N    . LYS   B 1 96  ? -11.677 -6.905  -4.218  1   21.564 ? 108 LYS   B N    1 ? 2 
ATOM   3296 C CA   . LYS   B 1 96  ? -10.794 -7.835  -4.926  1   22.619 ? 108 LYS   B CA   1 ? 2 
ATOM   3297 C C    . LYS   B 1 96  ? -11.337 -8.085  -6.3    1   23.376 ? 108 LYS   B C    1 ? 2 
ATOM   3298 O O    . LYS   B 1 96  ? -12.512 -7.779  -6.59   1   22.566 ? 108 LYS   B O    1 ? 2 
ATOM   3299 C CB   . LYS   B 1 96  ? -10.742 -9.2    -4.22   1   24.271 ? 108 LYS   B CB   1 ? 2 
ATOM   3300 C CG   . LYS   B 1 96  ? -10.09  -9.183  -2.856  1   26.39  ? 108 LYS   B CG   1 ? 2 
ATOM   3301 C CD   . LYS   B 1 96  ? -9.944  -10.581 -2.232  1   28.415 ? 108 LYS   B CD   1 ? 2 
ATOM   3302 C CE   . LYS   B 1 96  ? -9.216  -10.62  -0.907  1   29.181 ? 108 LYS   B CE   1 ? 2 
ATOM   3303 N NZ   . LYS   B 1 96  ? -9.226  -12.038 -0.541  1   34.965 ? 108 LYS   B NZ   1 ? 2 
ATOM   3304 H H    . LYS   B 1 96  ? -12.254 -7.246  -3.596  1   22.463 ? 108 LYS   B H    1 c 2 
ATOM   3305 H HA   . LYS   B 1 96  ? -9.888  -7.438  -4.987  1   23.374 ? 108 LYS   B HA   1 c 2 
ATOM   3306 H HB2  . LYS   B 1 96  ? -11.659 -9.534  -4.119  1   24.035 ? 108 LYS   B HB2  1 c 2 
ATOM   3307 H HB3  . LYS   B 1 96  ? -10.256 -9.835  -4.787  1   24.793 ? 108 LYS   B HB3  1 c 2 
ATOM   3308 H HG2  . LYS   B 1 96  ? -9.202  -8.774  -2.938  1   26.72  ? 108 LYS   B HG2  1 c 2 
ATOM   3309 H HG3  . LYS   B 1 96  ? -10.628 -8.62   -2.259  1   25.911 ? 108 LYS   B HG3  1 c 2 
ATOM   3310 H HD2  . LYS   B 1 96  ? -10.839 -10.965 -2.112  1   27.905 ? 108 LYS   B HD2  1 c 2 
ATOM   3311 H HD3  . LYS   B 1 96  ? -9.466  -11.154 -2.871  1   28.563 ? 108 LYS   B HD3  1 c 2 
ATOM   3312 H HE2  . LYS   B 1 96  ? -8.299  -10.304 -1      1   30.691 ? 108 LYS   B HE2  1 c 2 
ATOM   3313 H HE3  . LYS   B 1 96  ? -9.678  -10.095 -0.23   1   29.958 ? 108 LYS   B HE3  1 c 2 
ATOM   3314 H HZ1  . LYS   B 1 96  ? -8.802  -12.529 -1.174  1   33.602 ? 108 LYS   B HZ1  1 c 2 
ATOM   3315 H HZ2  . LYS   B 1 96  ? -10.078 -12.334 -0.455  1   33.05  ? 108 LYS   B HZ2  1 c 2 
ATOM   3316 H HZ3  . LYS   B 1 96  ? -8.797  -12.148 0.249   1   33.946 ? 108 LYS   B HZ3  1 c 2 
ATOM   3317 N N    . PRO   B 1 97  ? -10.496 -8.509  -7.258  1   21.542 ? 109 PRO   B N    1 ? 2 
ATOM   3318 C CA   . PRO   B 1 97  ? -10.909 -8.546  -8.653  1   22.706 ? 109 PRO   B CA   1 ? 2 
ATOM   3319 C C    . PRO   B 1 97  ? -12.065 -9.476  -8.948  1   19.868 ? 109 PRO   B C    1 ? 2 
ATOM   3320 O O    . PRO   B 1 97  ? -12.8   -9.177  -9.876  1   21.333 ? 109 PRO   B O    1 ? 2 
ATOM   3321 C CB   . PRO   B 1 97  ? -9.628  -8.961  -9.396  1   27.698 ? 109 PRO   B CB   1 ? 2 
ATOM   3322 C CG   . PRO   B 1 97  ? -8.609  -9.363  -8.39   1   26.142 ? 109 PRO   B CG   1 ? 2 
ATOM   3323 C CD   . PRO   B 1 97  ? -9.052  -8.76   -7.082  1   25.225 ? 109 PRO   B CD   1 ? 2 
ATOM   3324 H HA   . PRO   B 1 97  ? -11.154 -7.64   -8.933  1   22.685 ? 109 PRO   B HA   1 c 2 
ATOM   3325 H HB2  . PRO   B 1 97  ? -9.813  -9.703  -10.005 1   26.882 ? 109 PRO   B HB2  1 c 2 
ATOM   3326 H HB3  . PRO   B 1 97  ? -9.294  -8.217  -9.935  1   27.01  ? 109 PRO   B HB3  1 c 2 
ATOM   3327 H HG2  . PRO   B 1 97  ? -8.562  -10.337 -8.317  1   26.716 ? 109 PRO   B HG2  1 c 2 
ATOM   3328 H HG3  . PRO   B 1 97  ? -7.726  -9.026  -8.639  1   27.291 ? 109 PRO   B HG3  1 c 2 
ATOM   3329 H HD2  . PRO   B 1 97  ? -8.896  -9.378  -6.345  1   24.369 ? 109 PRO   B HD2  1 c 2 
ATOM   3330 H HD3  . PRO   B 1 97  ? -8.578  -7.924  -6.904  1   24.657 ? 109 PRO   B HD3  1 c 2 
ATOM   3331 N N    . GLU   B 1 98  ? -12.224 -10.539 -8.133  1   19.622 ? 110 GLU   B N    1 ? 2 
ATOM   3332 C CA   . GLU   B 1 98  ? -13.359 -11.449 -8.296  1   23.356 ? 110 GLU   B CA   1 ? 2 
ATOM   3333 C C    . GLU   B 1 98  ? -14.701 -10.709 -8.203  1   21.564 ? 110 GLU   B C    1 ? 2 
ATOM   3334 O O    . GLU   B 1 98  ? -15.716 -11.194 -8.729  1   24.217 ? 110 GLU   B O    1 ? 2 
ATOM   3335 C CB   . GLU   B 1 98  ? -13.337 -12.623 -7.331  1   26.407 ? 110 GLU   B CB   1 ? 2 
ATOM   3336 C CG   . GLU   B 1 98  ? -12.135 -13.556 -7.573  1   36.839 ? 110 GLU   B CG   1 ? 2 
ATOM   3337 C CD   . GLU   B 1 98  ? -10.743 -13.029 -7.177  1   41.403 ? 110 GLU   B CD   1 ? 2 
ATOM   3338 O OE1  . GLU   B 1 98  ? -10.569 -12.064 -6.352  1   24.283 ? 110 GLU   B OE1  1 ? 2 
ATOM   3339 O OE2  . GLU   B 1 98  ? -9.776  -13.523 -7.834  1   40.401 ? 110 GLU   B OE2  1 ? 2 
ATOM   3340 H H    . GLU   B 1 98  ? -11.624 -10.693 -7.463  1   20.378 ? 110 GLU   B H    1 c 2 
ATOM   3341 H HA   . GLU   B 1 98  ? -13.297 -11.832 -9.208  1   23.681 ? 110 GLU   B HA   1 c 2 
ATOM   3342 H HB2  . GLU   B 1 98  ? -13.306 -12.279 -6.415  1   27.012 ? 110 GLU   B HB2  1 c 2 
ATOM   3343 H HB3  . GLU   B 1 98  ? -14.167 -13.133 -7.432  1   27.85  ? 110 GLU   B HB3  1 c 2 
ATOM   3344 H HG2  . GLU   B 1 98  ? -12.29  -14.393 -7.088  1   35.682 ? 110 GLU   B HG2  1 c 2 
ATOM   3345 H HG3  . GLU   B 1 98  ? -12.11  -13.785 -8.526  1   35.841 ? 110 GLU   B HG3  1 c 2 
ATOM   3346 N N    . TYR   B 1 99  ? -14.751 -9.559  -7.554  1   20.984 ? 111 TYR   B N    1 ? 2 
ATOM   3347 C CA   . TYR   B 1 99  ? -15.989 -8.837  -7.352  1   22.834 ? 111 TYR   B CA   1 ? 2 
ATOM   3348 C C    . TYR   B 1 99  ? -15.984 -7.542  -8.18   1   25.252 ? 111 TYR   B C    1 ? 2 
ATOM   3349 O O    . TYR   B 1 99  ? -16.843 -6.66   -8.001  1   22.62  ? 111 TYR   B O    1 ? 2 
ATOM   3350 C CB   . TYR   B 1 99  ? -16.284 -8.541  -5.882  1   21.675 ? 111 TYR   B CB   1 ? 2 
ATOM   3351 C CG   . TYR   B 1 99  ? -16.555 -9.813  -5.108  1   20.697 ? 111 TYR   B CG   1 ? 2 
ATOM   3352 C CD1  . TYR   B 1 99  ? -15.533 -10.532 -4.574  1   19.376 ? 111 TYR   B CD1  1 ? 2 
ATOM   3353 C CD2  . TYR   B 1 99  ? -17.847 -10.271 -4.881  1   23.248 ? 111 TYR   B CD2  1 ? 2 
ATOM   3354 C CE1  . TYR   B 1 99  ? -15.743 -11.689 -3.888  1   20.446 ? 111 TYR   B CE1  1 ? 2 
ATOM   3355 C CE2  . TYR   B 1 99  ? -18.076 -11.441 -4.218  1   23.441 ? 111 TYR   B CE2  1 ? 2 
ATOM   3356 C CZ   . TYR   B 1 99  ? -17.017 -12.154 -3.689  1   23.706 ? 111 TYR   B CZ   1 ? 2 
ATOM   3357 O OH   . TYR   B 1 99  ? -17.129 -13.32  -2.99   1   25.674 ? 111 TYR   B OH   1 ? 2 
ATOM   3358 H H    . TYR   B 1 99  ? -13.984 -9.211  -7.201  1   21.088 ? 111 TYR   B H    1 c 2 
ATOM   3359 H HA   . TYR   B 1 99  ? -16.729 -9.405  -7.693  1   23.174 ? 111 TYR   B HA   1 c 2 
ATOM   3360 H HB2  . TYR   B 1 99  ? -15.513 -8.077  -5.487  1   21.157 ? 111 TYR   B HB2  1 c 2 
ATOM   3361 H HB3  . TYR   B 1 99  ? -17.071 -7.955  -5.825  1   21.514 ? 111 TYR   B HB3  1 c 2 
ATOM   3362 H HD1  . TYR   B 1 99  ? -14.647 -10.236 -4.708  1   19.665 ? 111 TYR   B HD1  1 c 2 
ATOM   3363 H HD2  . TYR   B 1 99  ? -18.577 -9.8    -5.25   1   22.806 ? 111 TYR   B HD2  1 c 2 
ATOM   3364 H HE1  . TYR   B 1 99  ? -15.011 -12.17  -3.543  1   21.168 ? 111 TYR   B HE1  1 c 2 
ATOM   3365 H HE2  . TYR   B 1 99  ? -18.958 -11.741 -4.081  1   24.217 ? 111 TYR   B HE2  1 c 2 
ATOM   3366 H HH   . TYR   B 1 99  ? -16.371 -13.64  -2.768  0   30     ? 111 TYR   B HH   1 c 2 
ATOM   3367 N N    . ALA   B 1 100 ? -15.051 -7.451  -9.157  1   23.105 ? 112 ALA   B N    1 ? 2 
ATOM   3368 C CA   . ALA   B 1 100 ? -15.027 -6.268  -9.979  1   22.697 ? 112 ALA   B CA   1 ? 2 
ATOM   3369 C C    . ALA   B 1 100 ? -14.828 -6.734  -11.437 1   24.732 ? 112 ALA   B C    1 ? 2 
ATOM   3370 O O    . ALA   B 1 100 ? -15.783 -7.263  -11.999 1   25.948 ? 112 ALA   B O    1 ? 2 
ATOM   3371 C CB   . ALA   B 1 100 ? -13.927 -5.38   -9.474  1   23.436 ? 112 ALA   B CB   1 ? 2 
ATOM   3372 H H    . ALA   B 1 100 ? -14.448 -8.12   -9.306  1   23.604 ? 112 ALA   B H    1 c 2 
ATOM   3373 H HA   . ALA   B 1 100 ? -15.901 -5.799  -9.909  1   23.206 ? 112 ALA   B HA   1 c 2 
ATOM   3374 H HB1  . ALA   B 1 100 ? -14.212 -4.943  -8.654  1   22.549 ? 112 ALA   B HB1  1 c 2 
ATOM   3375 H HB2  . ALA   B 1 100 ? -13.133 -5.911  -9.294  1   23.072 ? 112 ALA   B HB2  1 c 2 
ATOM   3376 H HB3  . ALA   B 1 100 ? -13.719 -4.705  -10.141 1   23.882 ? 112 ALA   B HB3  1 c 2 
ATOM   3377 N N    . TYR   B 1 101 ? -13.599 -6.651  -11.98  1   24.052 ? 113 TYR   B N    1 ? 2 
ATOM   3378 C CA   . TYR   B 1 101 ? -13.384 -6.921  -13.405 1   24.277 ? 113 TYR   B CA   1 ? 2 
ATOM   3379 C C    . TYR   B 1 101 ? -12.55  -8.174  -13.672 1   23.326 ? 113 TYR   B C    1 ? 2 
ATOM   3380 O O    . TYR   B 1 101 ? -12.229 -8.458  -14.805 1   26.872 ? 113 TYR   B O    1 ? 2 
ATOM   3381 C CB   . TYR   B 1 101 ? -12.818 -5.682  -14.1   1   25.954 ? 113 TYR   B CB   1 ? 2 
ATOM   3382 C CG   . TYR   B 1 101 ? -13.705 -4.48   -14.032 1   25.413 ? 113 TYR   B CG   1 ? 2 
ATOM   3383 C CD1  . TYR   B 1 101 ? -14.809 -4.352  -14.885 1   26.724 ? 113 TYR   B CD1  1 ? 2 
ATOM   3384 C CD2  . TYR   B 1 101 ? -13.537 -3.543  -13.029 1   22.705 ? 113 TYR   B CD2  1 ? 2 
ATOM   3385 C CE1  . TYR   B 1 101 ? -15.577 -3.2    -14.868 1   27.913 ? 113 TYR   B CE1  1 ? 2 
ATOM   3386 C CE2  . TYR   B 1 101 ? -14.367 -2.44   -12.938 1   25.141 ? 113 TYR   B CE2  1 ? 2 
ATOM   3387 C CZ   . TYR   B 1 101 ? -15.4   -2.283  -13.841 1   24.237 ? 113 TYR   B CZ   1 ? 2 
ATOM   3388 O OH   . TYR   B 1 101 ? -16.238 -1.227  -13.74  1   26.726 ? 113 TYR   B OH   1 ? 2 
ATOM   3389 H H    . TYR   B 1 101 ? -12.883 -6.426  -11.459 1   23.678 ? 113 TYR   B H    1 c 2 
ATOM   3390 H HA   . TYR   B 1 101 ? -14.278 -7.085  -13.806 1   24.751 ? 113 TYR   B HA   1 c 2 
ATOM   3391 H HB2  . TYR   B 1 101 ? -11.953 -5.462  -13.688 1   25.507 ? 113 TYR   B HB2  1 c 2 
ATOM   3392 H HB3  . TYR   B 1 101 ? -12.654 -5.901  -15.044 1   27.055 ? 113 TYR   B HB3  1 c 2 
ATOM   3393 H HD1  . TYR   B 1 101 ? -14.914 -4.964  -15.596 1   27.701 ? 113 TYR   B HD1  1 c 2 
ATOM   3394 H HD2  . TYR   B 1 101 ? -12.83  -3.643  -12.412 1   23.079 ? 113 TYR   B HD2  1 c 2 
ATOM   3395 H HE1  . TYR   B 1 101 ? -16.316 -3.119  -15.447 1   27.995 ? 113 TYR   B HE1  1 c 2 
ATOM   3396 H HE2  . TYR   B 1 101 ? -14.231 -1.799  -12.262 1   23.745 ? 113 TYR   B HE2  1 c 2 
ATOM   3397 H HH   . TYR   B 1 101 ? -16.847 -1.286  -14.375 0   30     ? 113 TYR   B HH   1 c 2 
ATOM   3398 N N    . GLY   B 1 102 ? -12.09  -8.855  -12.627 1   23.416 ? 114 GLY   B N    1 ? 2 
ATOM   3399 C CA   . GLY   B 1 102 ? -11.578 -10.22  -12.753 1   26.841 ? 114 GLY   B CA   1 ? 2 
ATOM   3400 C C    . GLY   B 1 102 ? -10.236 -10.319 -13.466 1   27.233 ? 114 GLY   B C    1 ? 2 
ATOM   3401 O O    . GLY   B 1 102 ? -9.494  -9.323  -13.633 1   27.596 ? 114 GLY   B O    1 ? 2 
ATOM   3402 H H    . GLY   B 1 102 ? -12.081 -8.462  -11.802 1   22.814 ? 114 GLY   B H    1 c 2 
ATOM   3403 H HA2  . GLY   B 1 102 ? -11.491 -10.605 -11.851 1   25.162 ? 114 GLY   B HA2  1 c 2 
ATOM   3404 H HA3  . GLY   B 1 102 ? -12.242 -10.759 -13.243 1   26.401 ? 114 GLY   B HA3  1 c 2 
ATOM   3405 N N    . SER   B 1 103 ? -10.001 -11.474 -14.077 1   28.934 ? 115 SER   B N    1 ? 2 
ATOM   3406 C CA   . SER   B 1 103 ? -8.712  -11.698 -14.732 1   27.638 ? 115 SER   B CA   1 ? 2 
ATOM   3407 C C    . SER   B 1 103 ? -8.727  -11.03  -16.087 1   27.327 ? 115 SER   B C    1 ? 2 
ATOM   3408 O O    . SER   B 1 103 ? -7.69   -10.66  -16.556 1   29.13  ? 115 SER   B O    1 ? 2 
ATOM   3409 C CB   . SER   B 1 103 ? -8.353  -13.159 -14.782 1   32.619 ? 115 SER   B CB   1 ? 2 
ATOM   3410 O OG   . SER   B 1 103 ? -9.433  -13.802 -15.423 1   32.666 ? 115 SER   B OG   1 ? 2 
ATOM   3411 H H    . SER   B 1 103 ? -10.635 -12.132 -14.092 1   28.093 ? 115 SER   B H    1 c 2 
ATOM   3412 H HA   . SER   B 1 103 ? -8.023  -11.241 -14.193 1   28.14  ? 115 SER   B HA   1 c 2 
ATOM   3413 H HB2  . SER   B 1 103 ? -7.53   -13.287 -15.291 1   32.803 ? 115 SER   B HB2  1 c 2 
ATOM   3414 H HB3  . SER   B 1 103 ? -8.238  -13.509 -13.878 1   30.58  ? 115 SER   B HB3  1 c 2 
ATOM   3415 H HG   . SER   B 1 103 ? -9.25   -14.654 -15.466 0   30     ? 115 SER   B HG   1 c 2 
ATOM   3416 N N    . ALA   B 1 104 ? -9.903  -10.833 -16.716 1   28.309 ? 116 ALA   B N    1 ? 2 
ATOM   3417 C CA   . ALA   B 1 104 ? -9.949  -10.18  -17.99  1   31.146 ? 116 ALA   B CA   1 ? 2 
ATOM   3418 C C    . ALA   B 1 104 ? -9.629  -8.691  -17.941 1   28.425 ? 116 ALA   B C    1 ? 2 
ATOM   3419 O O    . ALA   B 1 104 ? -9.086  -8.158  -18.929 1   30.177 ? 116 ALA   B O    1 ? 2 
ATOM   3420 C CB   . ALA   B 1 104 ? -11.276 -10.422 -18.696 1   37.081 ? 116 ALA   B CB   1 ? 2 
ATOM   3421 H H    . ALA   B 1 104 ? -10.682 -11.122 -16.336 1   27.471 ? 116 ALA   B H    1 c 2 
ATOM   3422 H HA   . ALA   B 1 104 ? -9.24   -10.602 -18.55  1   32.678 ? 116 ALA   B HA   1 c 2 
ATOM   3423 H HB1  . ALA   B 1 104 ? -11.367 -11.367 -18.906 1   35.887 ? 116 ALA   B HB1  1 c 2 
ATOM   3424 H HB2  . ALA   B 1 104 ? -12.008 -10.149 -18.118 1   34.011 ? 116 ALA   B HB2  1 c 2 
ATOM   3425 H HB3  . ALA   B 1 104 ? -11.307 -9.906  -19.519 1   36.786 ? 116 ALA   B HB3  1 c 2 
ATOM   3426 N N    . GLY   B 1 105 ? -9.947  -8.09   -16.807 1   29.231 ? 117 GLY   B N    1 ? 2 
ATOM   3427 C CA   . GLY   B 1 105 ? -9.939  -6.651  -16.624 1   28.912 ? 117 GLY   B CA   1 ? 2 
ATOM   3428 C C    . GLY   B 1 105 ? -10.966 -5.988  -17.536 1   30.87  ? 117 GLY   B C    1 ? 2 
ATOM   3429 O O    . GLY   B 1 105 ? -11.889 -6.631  -18.059 1   28.382 ? 117 GLY   B O    1 ? 2 
ATOM   3430 H H    . GLY   B 1 105 ? -10.192 -8.607  -16.095 1   27.114 ? 117 GLY   B H    1 c 2 
ATOM   3431 H HA2  . GLY   B 1 105 ? -10.146 -6.442  -15.684 1   27.613 ? 117 GLY   B HA2  1 c 2 
ATOM   3432 H HA3  . GLY   B 1 105 ? -9.039  -6.303  -16.826 1   30.191 ? 117 GLY   B HA3  1 c 2 
ATOM   3433 N N    . SER   B 1 106 ? -10.705 -4.694  -17.818 1   33.065 ? 118 SER   B N    1 ? 2 
ATOM   3434 C CA   . SER   B 1 106 ? -11.525 -3.881  -18.683 1   32.085 ? 118 SER   B CA   1 ? 2 
ATOM   3435 C C    . SER   B 1 106 ? -10.678 -2.716  -19.161 1   33.617 ? 118 SER   B C    1 ? 2 
ATOM   3436 O O    . SER   B 1 106 ? -10.871 -1.571  -18.761 1   34.073 ? 118 SER   B O    1 ? 2 
ATOM   3437 C CB   . SER   B 1 106 ? -12.74  -3.378  -17.943 1   31.651 ? 118 SER   B CB   1 ? 2 
ATOM   3438 O OG   . SER   B 1 106 ? -13.691 -2.943  -18.902 1   31.827 ? 118 SER   B OG   1 ? 2 
ATOM   3439 H H    . SER   B 1 106 ? -9.97   -4.308  -17.436 1   32.1   ? 118 SER   B H    1 c 2 
ATOM   3440 H HA   . SER   B 1 106 ? -11.812 -4.42   -19.464 1   33.769 ? 118 SER   B HA   1 c 2 
ATOM   3441 H HB2  . SER   B 1 106 ? -13.119 -4.097  -17.404 1   29.507 ? 118 SER   B HB2  1 c 2 
ATOM   3442 H HB3  . SER   B 1 106 ? -12.494 -2.639  -17.356 1   30.413 ? 118 SER   B HB3  1 c 2 
ATOM   3443 H HG   . SER   B 1 106 ? -14.379 -2.661  -18.499 0   30     ? 118 SER   B HG   1 c 2 
ATOM   3444 N N    . LEU   B 1 107 ? -9.787  -3.014  -20.093 1   33.477 ? 119 LEU   B N    1 ? 2 
ATOM   3445 C CA   . LEU   B 1 107 ? -8.845  -2.028  -20.581 1   36.514 ? 119 LEU   B CA   1 ? 2 
ATOM   3446 C C    . LEU   B 1 107 ? -9.599  -0.985  -21.4   1   41.596 ? 119 LEU   B C    1 ? 2 
ATOM   3447 O O    . LEU   B 1 107 ? -10.534 -1.313  -22.164 1   42.158 ? 119 LEU   B O    1 ? 2 
ATOM   3448 C CB   . LEU   B 1 107 ? -7.759  -2.711  -21.419 1   39.035 ? 119 LEU   B CB   1 ? 2 
ATOM   3449 C CG   . LEU   B 1 107 ? -6.767  -3.554  -20.621 1   38.036 ? 119 LEU   B CG   1 ? 2 
ATOM   3450 C CD1  . LEU   B 1 107 ? -5.739  -4.175  -21.536 1   40.509 ? 119 LEU   B CD1  1 ? 2 
ATOM   3451 C CD2  . LEU   B 1 107 ? -6.098  -2.729  -19.541 1   38.037 ? 119 LEU   B CD2  1 ? 2 
ATOM   3452 H H    . LEU   B 1 107 ? -9.762  -3.86   -20.439 1   34.385 ? 119 LEU   B H    1 c 2 
ATOM   3453 H HA   . LEU   B 1 107 ? -8.43   -1.586  -19.801 1   36.061 ? 119 LEU   B HA   1 c 2 
ATOM   3454 H HB2  . LEU   B 1 107 ? -8.2    -3.291  -22.081 1   39.888 ? 119 LEU   B HB2  1 c 2 
ATOM   3455 H HB3  . LEU   B 1 107 ? -7.26   -2.019  -21.908 1   41.452 ? 119 LEU   B HB3  1 c 2 
ATOM   3456 H HG   . LEU   B 1 107 ? -7.269  -4.288  -20.18  1   36.135 ? 119 LEU   B HG   1 c 2 
ATOM   3457 H HD11 . LEU   B 1 107 ? -6.185  -4.728  -22.198 1   41.281 ? 119 LEU   B HD11 1 c 2 
ATOM   3458 H HD12 . LEU   B 1 107 ? -5.129  -4.724  -21.015 1   39.826 ? 119 LEU   B HD12 1 c 2 
ATOM   3459 H HD13 . LEU   B 1 107 ? -5.238  -3.474  -21.985 1   42.749 ? 119 LEU   B HD13 1 c 2 
ATOM   3460 H HD21 . LEU   B 1 107 ? -6.695  -2.642  -18.78  1   35.592 ? 119 LEU   B HD21 1 c 2 
ATOM   3461 H HD22 . LEU   B 1 107 ? -5.888  -1.846  -19.889 1   39.452 ? 119 LEU   B HD22 1 c 2 
ATOM   3462 H HD23 . LEU   B 1 107 ? -5.278  -3.166  -19.257 1   37.792 ? 119 LEU   B HD23 1 c 2 
ATOM   3463 N N    . PRO   B 1 108 ? -9.04   0.241   -21.528 1   44.661 ? 120 PRO   B N    1 ? 2 
ATOM   3464 C CA   . PRO   B 1 108 ? -7.747  0.614   -20.951 1   45.398 ? 120 PRO   B CA   1 ? 2 
ATOM   3465 C C    . PRO   B 1 108 ? -7.823  1.066   -19.507 1   41.897 ? 120 PRO   B C    1 ? 2 
ATOM   3466 O O    . PRO   B 1 108 ? -6.816  1.123   -18.826 1   45.089 ? 120 PRO   B O    1 ? 2 
ATOM   3467 C CB   . PRO   B 1 108 ? -7.257  1.787   -21.787 1   48.886 ? 120 PRO   B CB   1 ? 2 
ATOM   3468 C CG   . PRO   B 1 108 ? -8.532  2.326   -22.348 1   51.612 ? 120 PRO   B CG   1 ? 2 
ATOM   3469 C CD   . PRO   B 1 108 ? -9.555  1.24    -22.457 1   48.869 ? 120 PRO   B CD   1 ? 2 
ATOM   3470 H HA   . PRO   B 1 108 ? -7.118  -0.128  -21.031 1   45.024 ? 120 PRO   B HA   1 c 2 
ATOM   3471 H HB2  . PRO   B 1 108 ? -6.803  2.453   -21.234 1   49.486 ? 120 PRO   B HB2  1 c 2 
ATOM   3472 H HB3  . PRO   B 1 108 ? -6.657  1.487   -22.498 1   51.46  ? 120 PRO   B HB3  1 c 2 
ATOM   3473 H HG2  . PRO   B 1 108 ? -8.873  3.038   -21.77  1   50.174 ? 120 PRO   B HG2  1 c 2 
ATOM   3474 H HG3  . PRO   B 1 108 ? -8.369  2.711   -23.232 1   53.89  ? 120 PRO   B HG3  1 c 2 
ATOM   3475 H HD2  . PRO   B 1 108 ? -10.439 1.55    -22.182 1   47.71  ? 120 PRO   B HD2  1 c 2 
ATOM   3476 H HD3  . PRO   B 1 108 ? -9.601  0.882   -23.365 1   50.545 ? 120 PRO   B HD3  1 c 2 
ATOM   3477 N N    . LYS   B 1 109 ? -9.019  1.235   -18.971 1   43.227 ? 121 LYS   B N    1 ? 2 
ATOM   3478 C CA   . LYS   B 1 109 ? -9.111  1.76    -17.616 1   39.608 ? 121 LYS   B CA   1 ? 2 
ATOM   3479 C C    . LYS   B 1 109 ? -8.701  0.796   -16.546 1   38.328 ? 121 LYS   B C    1 ? 2 
ATOM   3480 O O    . LYS   B 1 109 ? -8.174  1.249   -15.557 1   37.819 ? 121 LYS   B O    1 ? 2 
ATOM   3481 C CB   . LYS   B 1 109 ? -10.514 2.241   -17.233 1   43.535 ? 121 LYS   B CB   1 ? 2 
ATOM   3482 C CG   . LYS   B 1 109 ? -11.014 3.472   -18.027 1   49.682 ? 121 LYS   B CG   1 ? 2 
ATOM   3483 C CD   . LYS   B 1 109 ? -12.088 4.237   -17.24  1   54.091 ? 121 LYS   B CD   1 ? 2 
ATOM   3484 C CE   . LYS   B 1 109 ? -13.217 4.8     -18.053 1   58.954 ? 121 LYS   B CE   1 ? 2 
ATOM   3485 N NZ   . LYS   B 1 109 ? -12.835 6.021   -18.711 1   64.152 ? 121 LYS   B NZ   1 ? 2 
ATOM   3486 H H    . LYS   B 1 109 ? -9.782  1.035   -19.433 1   42.077 ? 121 LYS   B H    1 c 2 
ATOM   3487 H HA   . LYS   B 1 109 ? -8.511  2.548   -17.559 1   42.408 ? 121 LYS   B HA   1 c 2 
ATOM   3488 H HB2  . LYS   B 1 109 ? -11.148 1.505   -17.37  1   41.97  ? 121 LYS   B HB2  1 c 2 
ATOM   3489 H HB3  . LYS   B 1 109 ? -10.52  2.466   -16.278 1   41.514 ? 121 LYS   B HB3  1 c 2 
ATOM   3490 H HG2  . LYS   B 1 109 ? -10.254 4.067   -18.209 1   51.771 ? 121 LYS   B HG2  1 c 2 
ATOM   3491 H HG3  . LYS   B 1 109 ? -11.386 3.172   -18.885 1   51.252 ? 121 LYS   B HG3  1 c 2 
ATOM   3492 H HD2  . LYS   B 1 109 ? -12.464 3.635   -16.562 1   50.99  ? 121 LYS   B HD2  1 c 2 
ATOM   3493 H HD3  . LYS   B 1 109 ? -11.65  4.974   -16.759 1   53.785 ? 121 LYS   B HD3  1 c 2 
ATOM   3494 H HE2  . LYS   B 1 109 ? -13.504 4.152   -18.72  1   58.762 ? 121 LYS   B HE2  1 c 2 
ATOM   3495 H HE3  . LYS   B 1 109 ? -13.966 4.995   -17.466 1   57.069 ? 121 LYS   B HE3  1 c 2 
ATOM   3496 H HZ1  . LYS   B 1 109 ? -12.111 5.873   -19.236 1   64.853 ? 121 LYS   B HZ1  1 c 2 
ATOM   3497 H HZ2  . LYS   B 1 109 ? -12.631 6.652   -18.094 1   63.365 ? 121 LYS   B HZ2  1 c 2 
ATOM   3498 H HZ3  . LYS   B 1 109 ? -13.519 6.319   -19.225 1   64.771 ? 121 LYS   B HZ3  1 c 2 
ATOM   3499 N N    . ILE   B 1 110 ? -9.119  -0.479  -16.638 1   35.072 ? 122 ILE   B N    1 ? 2 
ATOM   3500 C CA   . ILE   B 1 110 ? -8.915  -1.407  -15.578 1   33.002 ? 122 ILE   B CA   1 ? 2 
ATOM   3501 C C    . ILE   B 1 110 ? -8.03   -2.553  -16.059 1   33.106 ? 122 ILE   B C    1 ? 2 
ATOM   3502 O O    . ILE   B 1 110 ? -8.427  -3.278  -16.972 1   29.709 ? 122 ILE   B O    1 ? 2 
ATOM   3503 C CB   . ILE   B 1 110 ? -10.23  -2.007  -15.062 1   32.147 ? 122 ILE   B CB   1 ? 2 
ATOM   3504 C CG1  . ILE   B 1 110 ? -11.391 -0.99   -14.961 1   31.84  ? 122 ILE   B CG1  1 ? 2 
ATOM   3505 C CG2  . ILE   B 1 110 ? -9.923  -2.721  -13.752 1   34.921 ? 122 ILE   B CG2  1 ? 2 
ATOM   3506 C CD1  . ILE   B 1 110 ? -11.169 -0      -13.849 1   35.607 ? 122 ILE   B CD1  1 ? 2 
ATOM   3507 H H    . ILE   B 1 110 ? -9.546  -0.761  -17.395 1   36.306 ? 122 ILE   B H    1 c 2 
ATOM   3508 H HA   . ILE   B 1 110 ? -8.473  -0.949  -14.84  1   32.755 ? 122 ILE   B HA   1 c 2 
ATOM   3509 H HB   . ILE   B 1 110 ? -10.508 -2.69   -15.705 1   32.982 ? 122 ILE   B HB   1 c 2 
ATOM   3510 H HG12 . ILE   B 1 110 ? -11.476 -0.51   -15.81  1   34.513 ? 122 ILE   B HG12 1 c 2 
ATOM   3511 H HG13 . ILE   B 1 110 ? -12.227 -1.474  -14.799 1   31.795 ? 122 ILE   B HG13 1 c 2 
ATOM   3512 H HG21 . ILE   B 1 110 ? -10.753 -2.915  -13.286 1   31.923 ? 122 ILE   B HG21 1 c 2 
ATOM   3513 H HG22 . ILE   B 1 110 ? -9.366  -2.155  -13.192 1   33.243 ? 122 ILE   B HG22 1 c 2 
ATOM   3514 H HG23 . ILE   B 1 110 ? -9.456  -3.553  -13.934 1   33.319 ? 122 ILE   B HG23 1 c 2 
ATOM   3515 H HD11 . ILE   B 1 110 ? -11.312 -0.434  -12.987 1   32.54  ? 122 ILE   B HD11 1 c 2 
ATOM   3516 H HD12 . ILE   B 1 110 ? -11.8   0.737   -13.948 1   34.606 ? 122 ILE   B HD12 1 c 2 
ATOM   3517 H HD13 . ILE   B 1 110 ? -10.258 0.347   -13.89  1   35.125 ? 122 ILE   B HD13 1 c 2 
ATOM   3518 N N    . PRO   B 1 111 ? -6.875  -2.789  -15.411 1   32.888 ? 123 PRO   B N    1 ? 2 
ATOM   3519 C CA   . PRO   B 1 111 ? -6.034  -3.905  -15.807 1   32.674 ? 123 PRO   B CA   1 ? 2 
ATOM   3520 C C    . PRO   B 1 111 ? -6.544  -5.219  -15.242 1   28.477 ? 123 PRO   B C    1 ? 2 
ATOM   3521 O O    . PRO   B 1 111 ? -7.439  -5.255  -14.416 1   27.506 ? 123 PRO   B O    1 ? 2 
ATOM   3522 C CB   . PRO   B 1 111 ? -4.673  -3.433  -15.34  1   34.591 ? 123 PRO   B CB   1 ? 2 
ATOM   3523 C CG   . PRO   B 1 111 ? -4.978  -2.645  -14.106 1   34.767 ? 123 PRO   B CG   1 ? 2 
ATOM   3524 C CD   . PRO   B 1 111 ? -6.295  -1.971  -14.323 1   34.306 ? 123 PRO   B CD   1 ? 2 
ATOM   3525 H HA   . PRO   B 1 111 ? -6.022  -3.965  -16.785 1   34.159 ? 123 PRO   B HA   1 c 2 
ATOM   3526 H HB2  . PRO   B 1 111 ? -4.09   -4.19   -15.137 1   34.884 ? 123 PRO   B HB2  1 c 2 
ATOM   3527 H HB3  . PRO   B 1 111 ? -4.245  -2.872  -16.016 1   36.897 ? 123 PRO   B HB3  1 c 2 
ATOM   3528 H HG2  . PRO   B 1 111 ? -5.027  -3.236  -13.327 1   32.854 ? 123 PRO   B HG2  1 c 2 
ATOM   3529 H HG3  . PRO   B 1 111 ? -4.281  -1.979  -13.944 1   35.599 ? 123 PRO   B HG3  1 c 2 
ATOM   3530 H HD2  . PRO   B 1 111 ? -6.854  -2.006  -13.523 1   32.023 ? 123 PRO   B HD2  1 c 2 
ATOM   3531 H HD3  . PRO   B 1 111 ? -6.181  -1.043  -14.605 1   35.113 ? 123 PRO   B HD3  1 c 2 
ATOM   3532 N N    . SER   B 1 112 ? -5.944  -6.314  -15.705 1   29.582 ? 124 SER   B N    1 ? 2 
ATOM   3533 C CA   . SER   B 1 112 ? -6.216  -7.632  -15.197 1   26.394 ? 124 SER   B CA   1 ? 2 
ATOM   3534 C C    . SER   B 1 112 ? -5.949  -7.685  -13.699 1   27.656 ? 124 SER   B C    1 ? 2 
ATOM   3535 O O    . SER   B 1 112 ? -4.988  -7.123  -13.233 1   27.58  ? 124 SER   B O    1 ? 2 
ATOM   3536 C CB   . SER   B 1 112 ? -5.385  -8.624  -15.959 1   29.743 ? 124 SER   B CB   1 ? 2 
ATOM   3537 O OG   . SER   B 1 112 ? -5.451  -9.918  -15.365 1   27.668 ? 124 SER   B OG   1 ? 2 
ATOM   3538 H H    . SER   B 1 112 ? -5.333  -6.225  -16.378 1   30.927 ? 124 SER   B H    1 c 2 
ATOM   3539 H HA   . SER   B 1 112 ? -7.174  -7.834  -15.354 1   26.8   ? 124 SER   B HA   1 c 2 
ATOM   3540 H HB2  . SER   B 1 112 ? -5.708  -8.673  -16.878 1   30.285 ? 124 SER   B HB2  1 c 2 
ATOM   3541 H HB3  . SER   B 1 112 ? -4.457  -8.322  -15.977 1   30.294 ? 124 SER   B HB3  1 c 2 
ATOM   3542 H HG   . SER   B 1 112 ? -4.998  -10.475 -15.832 0   30     ? 124 SER   B HG   1 c 2 
ATOM   3543 N N    . ASN   B 1 113 ? -6.863  -8.318  -12.966 1   23.977 ? 125 ASN   B N    1 ? 2 
ATOM   3544 C CA   . ASN   B 1 113 ? -6.631  -8.658  -11.569 1   26.231 ? 125 ASN   B CA   1 ? 2 
ATOM   3545 C C    . ASN   B 1 113 ? -6.495  -7.393  -10.701 1   24.451 ? 125 ASN   B C    1 ? 2 
ATOM   3546 O O    . ASN   B 1 113 ? -5.614  -7.361  -9.794  1   26.924 ? 125 ASN   B O    1 ? 2 
ATOM   3547 C CB   . ASN   B 1 113 ? -5.413  -9.583  -11.386 1   26.084 ? 125 ASN   B CB   1 ? 2 
ATOM   3548 C CG   . ASN   B 1 113 ? -5.631  -10.957 -11.97  1   29.675 ? 125 ASN   B CG   1 ? 2 
ATOM   3549 O OD1  . ASN   B 1 113 ? -4.68   -11.614 -12.388 1   36.433 ? 125 ASN   B OD1  1 ? 2 
ATOM   3550 N ND2  . ASN   B 1 113 ? -6.895  -11.342 -12.03  1   31.923 ? 125 ASN   B ND2  1 ? 2 
ATOM   3551 H H    . ASN   B 1 113 ? -7.662  -8.546  -13.346 1   24.849 ? 125 ASN   B H    1 c 2 
ATOM   3552 H HA   . ASN   B 1 113 ? -7.42   -9.144  -11.247 1   24.119 ? 125 ASN   B HA   1 c 2 
ATOM   3553 H HB2  . ASN   B 1 113 ? -4.631  -9.176  -11.808 1   28.288 ? 125 ASN   B HB2  1 c 2 
ATOM   3554 H HB3  . ASN   B 1 113 ? -5.224  -9.675  -10.431 1   26.343 ? 125 ASN   B HB3  1 c 2 
ATOM   3555 H HD21 . ASN   B 1 113 ? -7.106  -12.024 -12.551 1   31.302 ? 125 ASN   B HD21 1 c 2 
ATOM   3556 H HD22 . ASN   B 1 113 ? -7.52   -10.97  -11.529 1   29.571 ? 125 ASN   B HD22 1 c 2 
ATOM   3557 N N    . ALA   B 1 114 ? -7.293  -6.375  -11.004 1   23.232 ? 126 ALA   B N    1 ? 2 
ATOM   3558 C CA   . ALA   B 1 114 ? -7.187  -5.118  -10.282 1   25.801 ? 126 ALA   B CA   1 ? 2 
ATOM   3559 C C    . ALA   B 1 114 ? -8.008  -5.144  -8.99   1   25.205 ? 126 ALA   B C    1 ? 2 
ATOM   3560 O O    . ALA   B 1 114 ? -9.19   -5.513  -9.006  1   22.35  ? 126 ALA   B O    1 ? 2 
ATOM   3561 C CB   . ALA   B 1 114 ? -7.589  -3.974  -11.165 1   25.852 ? 126 ALA   B CB   1 ? 2 
ATOM   3562 H H    . ALA   B 1 114 ? -7.921  -6.461  -11.663 1   24.141 ? 126 ALA   B H    1 c 2 
ATOM   3563 H HA   . ALA   B 1 114 ? -6.231  -4.994  -10.031 1   26.13  ? 126 ALA   B HA   1 c 2 
ATOM   3564 H HB1  . ALA   B 1 114 ? -7.014  -3.947  -11.948 1   27.549 ? 126 ALA   B HB1  1 c 2 
ATOM   3565 H HB2  . ALA   B 1 114 ? -8.512  -4.088  -11.448 1   25.553 ? 126 ALA   B HB2  1 c 2 
ATOM   3566 H HB3  . ALA   B 1 114 ? -7.505  -3.138  -10.676 1   26.141 ? 126 ALA   B HB3  1 c 2 
ATOM   3567 N N    . THR   B 1 115 ? -7.372  -4.672  -7.878  1   25.07  ? 127 THR   B N    1 ? 2 
ATOM   3568 C CA   . THR   B 1 115 ? -8.101  -4.252  -6.685  1   21.567 ? 127 THR   B CA   1 ? 2 
ATOM   3569 C C    . THR   B 1 115 ? -8.56   -2.781  -6.794  1   23.279 ? 127 THR   B C    1 ? 2 
ATOM   3570 O O    . THR   B 1 115 ? -7.768  -1.914  -7.142  1   24.466 ? 127 THR   B O    1 ? 2 
ATOM   3571 C CB   . THR   B 1 115 ? -7.182  -4.466  -5.494  1   24.09  ? 127 THR   B CB   1 ? 2 
ATOM   3572 O OG1  . THR   B 1 115 ? -7.127  -5.877  -5.39   1   21.857 ? 127 THR   B OG1  1 ? 2 
ATOM   3573 C CG2  . THR   B 1 115 ? -7.835  -4.01   -4.172  1   25.089 ? 127 THR   B CG2  1 ? 2 
ATOM   3574 H H    . THR   B 1 115 ? -6.46   -4.616  -7.877  1   25.459 ? 127 THR   B H    1 c 2 
ATOM   3575 H HA   . THR   B 1 115 ? -8.888  -4.826  -6.582  1   21.791 ? 127 THR   B HA   1 c 2 
ATOM   3576 H HB   . THR   B 1 115 ? -6.281  -4.085  -5.63   1   24.693 ? 127 THR   B HB   1 c 2 
ATOM   3577 H HG1  . THR   B 1 115 ? -7.939  -6.217  -5.28   0   30     ? 127 THR   B HG1  1 c 2 
ATOM   3578 H HG21 . THR   B 1 115 ? -7.241  -4.215  -3.431  1   24.907 ? 127 THR   B HG21 1 c 2 
ATOM   3579 H HG22 . THR   B 1 115 ? -8.677  -4.476  -4.048  1   23.659 ? 127 THR   B HG22 1 c 2 
ATOM   3580 H HG23 . THR   B 1 115 ? -7.995  -3.052  -4.199  1   24.82  ? 127 THR   B HG23 1 c 2 
ATOM   3581 N N    . LEU   B 1 116 ? -9.82   -2.512  -6.442  1   21.765 ? 128 LEU   B N    1 ? 2 
ATOM   3582 C CA   . LEU   B 1 116 ? -10.453 -1.194  -6.553  1   24.527 ? 128 LEU   B CA   1 ? 2 
ATOM   3583 C C    . LEU   B 1 116 ? -10.818 -0.659  -5.157  1   24.941 ? 128 LEU   B C    1 ? 2 
ATOM   3584 O O    . LEU   B 1 116 ? -11.187 -1.432  -4.267  1   22.659 ? 128 LEU   B O    1 ? 2 
ATOM   3585 C CB   . LEU   B 1 116 ? -11.728 -1.208  -7.417  1   26.165 ? 128 LEU   B CB   1 ? 2 
ATOM   3586 C CG   . LEU   B 1 116 ? -11.689 -1.928  -8.783  1   32.361 ? 128 LEU   B CG   1 ? 2 
ATOM   3587 C CD1  . LEU   B 1 116 ? -12.937 -1.473  -9.518  1   30.388 ? 128 LEU   B CD1  1 ? 2 
ATOM   3588 C CD2  . LEU   B 1 116 ? -10.473 -1.6    -9.533  1   32.079 ? 128 LEU   B CD2  1 ? 2 
ATOM   3589 H H    . LEU   B 1 116 ? -10.324 -3.197  -6.107  1   21.56  ? 128 LEU   B H    1 c 2 
ATOM   3590 H HA   . LEU   B 1 116 ? -9.799  -0.573  -6.962  1   25.628 ? 128 LEU   B HA   1 c 2 
ATOM   3591 H HB2  . LEU   B 1 116 ? -12.45  -1.612  -6.882  1   25.959 ? 128 LEU   B HB2  1 c 2 
ATOM   3592 H HB3  . LEU   B 1 116 ? -11.994 -0.272  -7.572  1   27.489 ? 128 LEU   B HB3  1 c 2 
ATOM   3593 H HG   . LEU   B 1 116 ? -11.733 -2.907  -8.634  1   29.831 ? 128 LEU   B HG   1 c 2 
ATOM   3594 H HD11 . LEU   B 1 116 ? -13.715 -1.603  -8.95   1   30.151 ? 128 LEU   B HD11 1 c 2 
ATOM   3595 H HD12 . LEU   B 1 116 ? -13.04  -1.993  -10.332 1   31.348 ? 128 LEU   B HD12 1 c 2 
ATOM   3596 H HD13 . LEU   B 1 116 ? -12.856 -0.531  -9.744  1   31.846 ? 128 LEU   B HD13 1 c 2 
ATOM   3597 H HD21 . LEU   B 1 116 ? -9.727  -2.115  -9.186  1   32.415 ? 128 LEU   B HD21 1 c 2 
ATOM   3598 H HD22 . LEU   B 1 116 ? -10.28  -0.651  -9.443  1   33.28  ? 128 LEU   B HD22 1 c 2 
ATOM   3599 H HD23 . LEU   B 1 116 ? -10.603 -1.815  -10.472 1   33.245 ? 128 LEU   B HD23 1 c 2 
ATOM   3600 N N    . PHE   B 1 117 ? -10.797 0.674   -5.059  1   24.233 ? 129 PHE   B N    1 ? 2 
ATOM   3601 C CA   . PHE   B 1 117 ? -11.211 1.428   -3.886  1   22.245 ? 129 PHE   B CA   1 ? 2 
ATOM   3602 C C    . PHE   B 1 117 ? -12.274 2.443   -4.265  1   23.839 ? 129 PHE   B C    1 ? 2 
ATOM   3603 O O    . PHE   B 1 117 ? -12.162 3.169   -5.27   1   23.066 ? 129 PHE   B O    1 ? 2 
ATOM   3604 C CB   . PHE   B 1 117 ? -10.015 2.147   -3.268  1   23.778 ? 129 PHE   B CB   1 ? 2 
ATOM   3605 C CG   . PHE   B 1 117 ? -10.4   3.083   -2.131  1   25.945 ? 129 PHE   B CG   1 ? 2 
ATOM   3606 C CD1  . PHE   B 1 117 ? -10.75  4.402   -2.396  1   27.38  ? 129 PHE   B CD1  1 ? 2 
ATOM   3607 C CD2  . PHE   B 1 117 ? -10.47  2.601   -0.825  1   25.802 ? 129 PHE   B CD2  1 ? 2 
ATOM   3608 C CE1  . PHE   B 1 117 ? -11.178 5.213   -1.337  1   30.677 ? 129 PHE   B CE1  1 ? 2 
ATOM   3609 C CE2  . PHE   B 1 117 ? -10.839 3.401   0.211   1   28.983 ? 129 PHE   B CE2  1 ? 2 
ATOM   3610 C CZ   . PHE   B 1 117 ? -11.199 4.716   -0.029  1   27.996 ? 129 PHE   B CZ   1 ? 2 
ATOM   3611 H H    . PHE   B 1 117 ? -10.503 1.149   -5.782  1   25.062 ? 129 PHE   B H    1 c 2 
ATOM   3612 H HA   . PHE   B 1 117 ? -11.586 0.8     -3.217  1   22.032 ? 129 PHE   B HA   1 c 2 
ATOM   3613 H HB2  . PHE   B 1 117 ? -9.384  1.474   -2.929  1   23.935 ? 129 PHE   B HB2  1 c 2 
ATOM   3614 H HB3  . PHE   B 1 117 ? -9.562  2.665   -3.97   1   25.156 ? 129 PHE   B HB3  1 c 2 
ATOM   3615 H HD1  . PHE   B 1 117 ? -10.745 4.73    -3.281  1   28.462 ? 129 PHE   B HD1  1 c 2 
ATOM   3616 H HD2  . PHE   B 1 117 ? -10.229 1.704   -0.653  1   25.66  ? 129 PHE   B HD2  1 c 2 
ATOM   3617 H HE1  . PHE   B 1 117 ? -11.398 6.117   -1.499  1   30.483 ? 129 PHE   B HE1  1 c 2 
ATOM   3618 H HE2  . PHE   B 1 117 ? -10.866 3.055   1.089   1   27.708 ? 129 PHE   B HE2  1 c 2 
ATOM   3619 H HZ   . PHE   B 1 117 ? -11.457 5.275   0.686   1   29.557 ? 129 PHE   B HZ   1 c 2 
ATOM   3620 N N    . PHE   B 1 118 ? -13.364 2.488   -3.487  1   23.347 ? 130 PHE   B N    1 ? 2 
ATOM   3621 C CA   . PHE   B 1 118 ? -14.317 3.586   -3.666  1   26.212 ? 130 PHE   B CA   1 ? 2 
ATOM   3622 C C    . PHE   B 1 118 ? -14.685 4.246   -2.353  1   25.919 ? 130 PHE   B C    1 ? 2 
ATOM   3623 O O    . PHE   B 1 118 ? -14.742 3.588   -1.295  1   26.376 ? 130 PHE   B O    1 ? 2 
ATOM   3624 C CB   . PHE   B 1 118 ? -15.582 2.969   -4.283  1   23.451 ? 130 PHE   B CB   1 ? 2 
ATOM   3625 C CG   . PHE   B 1 118 ? -15.543 2.449   -5.702  1   22.13  ? 130 PHE   B CG   1 ? 2 
ATOM   3626 C CD1  . PHE   B 1 118 ? -15.195 1.083   -5.907  1   20.627 ? 130 PHE   B CD1  1 ? 2 
ATOM   3627 C CD2  . PHE   B 1 118 ? -15.835 3.283   -6.806  1   22.769 ? 130 PHE   B CD2  1 ? 2 
ATOM   3628 C CE1  . PHE   B 1 118 ? -15.143 0.586   -7.174  1   22.326 ? 130 PHE   B CE1  1 ? 2 
ATOM   3629 C CE2  . PHE   B 1 118 ? -15.853 2.738   -8.095  1   23.893 ? 130 PHE   B CE2  1 ? 2 
ATOM   3630 C CZ   . PHE   B 1 118 ? -15.443 1.432   -8.29   1   25.9   ? 130 PHE   B CZ   1 ? 2 
ATOM   3631 H H    . PHE   B 1 118 ? -13.52  1.847   -2.854  1   22.989 ? 130 PHE   B H    1 c 2 
ATOM   3632 H HA   . PHE   B 1 118 ? -13.94  4.26    -4.286  1   26.293 ? 130 PHE   B HA   1 c 2 
ATOM   3633 H HB2  . PHE   B 1 118 ? -15.865 2.23    -3.699  1   22.681 ? 130 PHE   B HB2  1 c 2 
ATOM   3634 H HB3  . PHE   B 1 118 ? -16.296 3.644   -4.231  1   24.106 ? 130 PHE   B HB3  1 c 2 
ATOM   3635 H HD1  . PHE   B 1 118 ? -14.972 0.537   -5.171  1   20.439 ? 130 PHE   B HD1  1 c 2 
ATOM   3636 H HD2  . PHE   B 1 118 ? -16.102 4.178   -6.665  1   23.964 ? 130 PHE   B HD2  1 c 2 
ATOM   3637 H HE1  . PHE   B 1 118 ? -14.904 -0.316  -7.316  1   21.954 ? 130 PHE   B HE1  1 c 2 
ATOM   3638 H HE2  . PHE   B 1 118 ? -16.026 3.294   -8.838  1   25.511 ? 130 PHE   B HE2  1 c 2 
ATOM   3639 H HZ   . PHE   B 1 118 ? -15.433 1.072   -9.162  1   25.035 ? 130 PHE   B HZ   1 c 2 
ATOM   3640 N N    . GLU   B 1 119 ? -15.016 5.535   -2.435  1   24.459 ? 131 GLU   B N    1 ? 2 
ATOM   3641 C CA   . GLU   B 1 119 ? -15.83  6.22    -1.458  1   25.986 ? 131 GLU   B CA   1 ? 2 
ATOM   3642 C C    . GLU   B 1 119 ? -17.184 6.447   -2.127  1   30.279 ? 131 GLU   B C    1 ? 2 
ATOM   3643 O O    . GLU   B 1 119 ? -17.268 7.041   -3.241  1   30.344 ? 131 GLU   B O    1 ? 2 
ATOM   3644 C CB   . GLU   B 1 119 ? -15.117 7.466   -0.979  1   30.365 ? 131 GLU   B CB   1 ? 2 
ATOM   3645 C CG   . GLU   B 1 119 ? -15.867 8.362   0.022   1   31.654 ? 131 GLU   B CG   1 ? 2 
ATOM   3646 C CD   . GLU   B 1 119 ? -15.097 9.511   0.567   1   32.501 ? 131 GLU   B CD   1 ? 2 
ATOM   3647 O OE1  . GLU   B 1 119 ? -14.339 9.419   1.535   1   37.066 ? 131 GLU   B OE1  1 ? 2 
ATOM   3648 O OE2  . GLU   B 1 119 ? -15.261 10.629  -0.026  1   33.696 ? 131 GLU   B OE2  1 ? 2 
ATOM   3649 H H    . GLU   B 1 119 ? -14.707 6.017   -3.148  1   26.162 ? 131 GLU   B H    1 c 2 
ATOM   3650 H HA   . GLU   B 1 119 ? -15.955 5.621   -0.683  1   26.25  ? 131 GLU   B HA   1 c 2 
ATOM   3651 H HB2  . GLU   B 1 119 ? -14.273 7.195   -0.563  1   29.698 ? 131 GLU   B HB2  1 c 2 
ATOM   3652 H HB3  . GLU   B 1 119 ? -14.896 8.013   -1.761  1   30.651 ? 131 GLU   B HB3  1 c 2 
ATOM   3653 H HG2  . GLU   B 1 119 ? -16.673 8.712   -0.413  1   31.662 ? 131 GLU   B HG2  1 c 2 
ATOM   3654 H HG3  . GLU   B 1 119 ? -16.164 7.809   0.775   1   30.62  ? 131 GLU   B HG3  1 c 2 
ATOM   3655 N N    . ILE   B 1 120 ? -18.247 6.031   -1.425  1   29.067 ? 132 ILE   B N    1 ? 2 
ATOM   3656 C CA   . ILE   B 1 120 ? -19.611 6.151   -1.911  1   28.391 ? 132 ILE   B CA   1 ? 2 
ATOM   3657 C C    . ILE   B 1 120 ? -20.501 6.859   -0.897  1   28.813 ? 132 ILE   B C    1 ? 2 
ATOM   3658 O O    . ILE   B 1 120 ? -20.488 6.489   0.265   1   26.832 ? 132 ILE   B O    1 ? 2 
ATOM   3659 C CB   . ILE   B 1 120 ? -20.199 4.749   -2.187  1   25.04  ? 132 ILE   B CB   1 ? 2 
ATOM   3660 C CG1  . ILE   B 1 120 ? -19.288 3.967   -3.175  1   24.139 ? 132 ILE   B CG1  1 ? 2 
ATOM   3661 C CG2  . ILE   B 1 120 ? -21.647 4.876   -2.676  1   25.192 ? 132 ILE   B CG2  1 ? 2 
ATOM   3662 C CD1  . ILE   B 1 120 ? -19.61  2.508   -3.353  1   26.655 ? 132 ILE   B CD1  1 ? 2 
ATOM   3663 H H    . ILE   B 1 120 ? -18.113 5.655   -0.603  1   28.51  ? 132 ILE   B H    1 c 2 
ATOM   3664 H HA   . ILE   B 1 120 ? -19.609 6.658   -2.745  1   28.801 ? 132 ILE   B HA   1 c 2 
ATOM   3665 H HB   . ILE   B 1 120 ? -20.21  4.259   -1.34   1   24.771 ? 132 ILE   B HB   1 c 2 
ATOM   3666 H HG12 . ILE   B 1 120 ? -19.339 4.402   -4.051  1   25.6   ? 132 ILE   B HG12 1 c 2 
ATOM   3667 H HG13 . ILE   B 1 120 ? -18.362 4.038   -2.867  1   24.773 ? 132 ILE   B HG13 1 c 2 
ATOM   3668 H HG21 . ILE   B 1 120 ? -21.921 4.049   -3.106  1   24.879 ? 132 ILE   B HG21 1 c 2 
ATOM   3669 H HG22 . ILE   B 1 120 ? -21.713 5.607   -3.314  1   26.319 ? 132 ILE   B HG22 1 c 2 
ATOM   3670 H HG23 . ILE   B 1 120 ? -22.234 5.054   -1.921  1   25.822 ? 132 ILE   B HG23 1 c 2 
ATOM   3671 H HD11 . ILE   B 1 120 ? -19.641 2.072   -2.48   1   25.044 ? 132 ILE   B HD11 1 c 2 
ATOM   3672 H HD12 . ILE   B 1 120 ? -18.92  2.086   -3.9    1   25.082 ? 132 ILE   B HD12 1 c 2 
ATOM   3673 H HD13 . ILE   B 1 120 ? -20.475 2.412   -3.794  1   25.833 ? 132 ILE   B HD13 1 c 2 
ATOM   3674 N N    . GLU   B 1 121 ? -21.237 7.877   -1.402  1   28.802 ? 133 GLU   B N    1 ? 2 
ATOM   3675 C CA   . GLU   B 1 121 ? -22.305 8.511   -0.661  1   28.25  ? 133 GLU   B CA   1 ? 2 
ATOM   3676 C C    . GLU   B 1 121 ? -23.635 8.078   -1.253  1   29.392 ? 133 GLU   B C    1 ? 2 
ATOM   3677 O O    . GLU   B 1 121 ? -23.944 8.355   -2.434  1   33.248 ? 133 GLU   B O    1 ? 2 
ATOM   3678 C CB   . GLU   B 1 121 ? -22.146 10.037  -0.61   1   29.624 ? 133 GLU   B CB   1 ? 2 
ATOM   3679 C CG   . GLU   B 1 121 ? -23.227 10.698  0.208   1   33.684 ? 133 GLU   B CG   1 ? 2 
ATOM   3680 C CD   . GLU   B 1 121 ? -23.254 12.218  0.259   1   36.006 ? 133 GLU   B CD   1 ? 2 
ATOM   3681 O OE1  . GLU   B 1 121 ? -22.252 12.808  -0.169  1   37.24  ? 133 GLU   B OE1  1 ? 2 
ATOM   3682 O OE2  . GLU   B 1 121 ? -24.216 12.8    0.73    1   34.623 ? 133 GLU   B OE2  1 ? 2 
ATOM   3683 H H    . GLU   B 1 121 ? -21.053 8.182   -2.244  1   29.154 ? 133 GLU   B H    1 c 2 
ATOM   3684 H HA   . GLU   B 1 121 ? -22.261 8.186   0.272   1   28.312 ? 133 GLU   B HA   1 c 2 
ATOM   3685 H HB2  . GLU   B 1 121 ? -21.269 10.254  -0.233  1   30.294 ? 133 GLU   B HB2  1 c 2 
ATOM   3686 H HB3  . GLU   B 1 121 ? -22.174 10.389  -1.524  1   30.904 ? 133 GLU   B HB3  1 c 2 
ATOM   3687 H HG2  . GLU   B 1 121 ? -24.098 10.399  -0.129  1   33.136 ? 133 GLU   B HG2  1 c 2 
ATOM   3688 H HG3  . GLU   B 1 121 ? -23.159 10.37   1.13    1   32.666 ? 133 GLU   B HG3  1 c 2 
ATOM   3689 N N    . LEU   B 1 122 ? -24.434 7.433   -0.399  1   29.963 ? 134 LEU   B N    1 ? 2 
ATOM   3690 C CA   . LEU   B 1 122 ? -25.802 7.049   -0.777  1   32.41  ? 134 LEU   B CA   1 ? 2 
ATOM   3691 C C    . LEU   B 1 122 ? -26.759 8.229   -0.616  1   33.48  ? 134 LEU   B C    1 ? 2 
ATOM   3692 O O    . LEU   B 1 122 ? -27.071 8.63    0.477   1   33.598 ? 134 LEU   B O    1 ? 2 
ATOM   3693 C CB   . LEU   B 1 122 ? -26.316 5.824   0.006   1   31.754 ? 134 LEU   B CB   1 ? 2 
ATOM   3694 C CG   . LEU   B 1 122 ? -27.723 5.33    -0.39   1   31.128 ? 134 LEU   B CG   1 ? 2 
ATOM   3695 C CD1  . LEU   B 1 122 ? -27.764 5.13    -1.954  1   30.1   ? 134 LEU   B CD1  1 ? 2 
ATOM   3696 C CD2  . LEU   B 1 122 ? -28.021 4.037   0.367   1   32.527 ? 134 LEU   B CD2  1 ? 2 
ATOM   3697 H H    . LEU   B 1 122 ? -24.131 7.222   0.438   1   29.747 ? 134 LEU   B H    1 c 2 
ATOM   3698 H HA   . LEU   B 1 122 ? -25.782 6.812   -1.738  1   31.555 ? 134 LEU   B HA   1 c 2 
ATOM   3699 H HB2  . LEU   B 1 122 ? -25.678 5.085   -0.124  1   30.009 ? 134 LEU   B HB2  1 c 2 
ATOM   3700 H HB3  . LEU   B 1 122 ? -26.324 6.052   0.964   1   31.774 ? 134 LEU   B HB3  1 c 2 
ATOM   3701 H HG   . LEU   B 1 122 ? -28.391 6.017   -0.132  1   33.096 ? 134 LEU   B HG   1 c 2 
ATOM   3702 H HD11 . LEU   B 1 122 ? -27.905 5.988   -2.388  1   31.379 ? 134 LEU   B HD11 1 c 2 
ATOM   3703 H HD12 . LEU   B 1 122 ? -28.491 4.528   -2.184  1   30.841 ? 134 LEU   B HD12 1 c 2 
ATOM   3704 H HD13 . LEU   B 1 122 ? -26.922 4.749   -2.255  1   29.069 ? 134 LEU   B HD13 1 c 2 
ATOM   3705 H HD21 . LEU   B 1 122 ? -27.861 4.171   1.315   1   32.093 ? 134 LEU   B HD21 1 c 2 
ATOM   3706 H HD22 . LEU   B 1 122 ? -27.442 3.329   0.04    1   30.661 ? 134 LEU   B HD22 1 c 2 
ATOM   3707 H HD23 . LEU   B 1 122 ? -28.95  3.786   0.228   1   32.989 ? 134 LEU   B HD23 1 c 2 
ATOM   3708 N N    . LEU   B 1 123 ? -27.256 8.784   -1.725  1   35.639 ? 135 LEU   B N    1 ? 2 
ATOM   3709 C CA   . LEU   B 1 123 ? -28.062 9.996   -1.677  1   40.345 ? 135 LEU   B CA   1 ? 2 
ATOM   3710 C C    . LEU   B 1 123 ? -29.53  9.63    -1.487  1   43.737 ? 135 LEU   B C    1 ? 2 
ATOM   3711 O O    . LEU   B 1 123 ? -30.24  10.216  -0.633  1   45.043 ? 135 LEU   B O    1 ? 2 
ATOM   3712 C CB   . LEU   B 1 123 ? -27.852 10.758  -2.975  1   39.923 ? 135 LEU   B CB   1 ? 2 
ATOM   3713 C CG   . LEU   B 1 123 ? -26.399 11.105  -3.291  1   37.226 ? 135 LEU   B CG   1 ? 2 
ATOM   3714 C CD1  . LEU   B 1 123 ? -26.255 11.672  -4.699  1   40.111 ? 135 LEU   B CD1  1 ? 2 
ATOM   3715 C CD2  . LEU   B 1 123 ? -25.885 12.093  -2.248  1   41.132 ? 135 LEU   B CD2  1 ? 2 
ATOM   3716 H H    . LEU   B 1 123 ? -27.092 8.395   -2.536  1   35.355 ? 135 LEU   B H    1 c 2 
ATOM   3717 H HA   . LEU   B 1 123 ? -27.764 10.553  -0.914  1   40.302 ? 135 LEU   B HA   1 c 2 
ATOM   3718 H HB2  . LEU   B 1 123 ? -28.213 10.217  -3.714  1   39.677 ? 135 LEU   B HB2  1 c 2 
ATOM   3719 H HB3  . LEU   B 1 123 ? -28.371 11.594  -2.93   1   41.667 ? 135 LEU   B HB3  1 c 2 
ATOM   3720 H HG   . LEU   B 1 123 ? -25.856 10.278  -3.232  1   36.613 ? 135 LEU   B HG   1 c 2 
ATOM   3721 H HD11 . LEU   B 1 123 ? -26.685 11.075  -5.335  1   39.464 ? 135 LEU   B HD11 1 c 2 
ATOM   3722 H HD12 . LEU   B 1 123 ? -25.313 11.756  -4.921  1   39.111 ? 135 LEU   B HD12 1 c 2 
ATOM   3723 H HD13 . LEU   B 1 123 ? -26.677 12.547  -4.742  1   41.533 ? 135 LEU   B HD13 1 c 2 
ATOM   3724 H HD21 . LEU   B 1 123 ? -25.73  11.629  -1.408  1   39.16  ? 135 LEU   B HD21 1 c 2 
ATOM   3725 H HD22 . LEU   B 1 123 ? -26.543 12.794  -2.113  1   41.901 ? 135 LEU   B HD22 1 c 2 
ATOM   3726 H HD23 . LEU   B 1 123 ? -25.052 12.488  -2.556  1   40.231 ? 135 LEU   B HD23 1 c 2 
ATOM   3727 N N    . ASP   B 1 124 ? -29.994 8.634   -2.276  1   42.694 ? 136 ASP   B N    1 ? 2 
ATOM   3728 C CA   . ASP   B 1 124 ? -31.411 8.297   -2.247  1   44.22  ? 136 ASP   B CA   1 ? 2 
ATOM   3729 C C    . ASP   B 1 124 ? -31.584 6.939   -2.922  1   41.657 ? 136 ASP   B C    1 ? 2 
ATOM   3730 O O    . ASP   B 1 124 ? -30.686 6.491   -3.636  1   38.356 ? 136 ASP   B O    1 ? 2 
ATOM   3731 C CB   . ASP   B 1 124 ? -32.252 9.449   -2.813  1   49.778 ? 136 ASP   B CB   1 ? 2 
ATOM   3732 C CG   . ASP   B 1 124 ? -33.709 9.492   -2.372  1   50.802 ? 136 ASP   B CG   1 ? 2 
ATOM   3733 O OD1  . ASP   B 1 124 ? -34.11  8.601   -1.58   1   48.161 ? 136 ASP   B OD1  1 ? 2 
ATOM   3734 O OD2  . ASP   B 1 124 ? -34.427 10.417  -2.802  1   58.186 ? 136 ASP   B OD2  1 ? 2 
ATOM   3735 H H    . ASP   B 1 124 ? -29.431 8.177   -2.832  1   41.478 ? 136 ASP   B H    1 c 2 
ATOM   3736 H HA   . ASP   B 1 124 ? -31.673 8.196   -1.304  1   44.658 ? 136 ASP   B HA   1 c 2 
ATOM   3737 H HB2  . ASP   B 1 124 ? -31.844 10.307  -2.576  1   49.167 ? 136 ASP   B HB2  1 c 2 
ATOM   3738 H HB3  . ASP   B 1 124 ? -32.241 9.38    -3.791  1   48.971 ? 136 ASP   B HB3  1 c 2 
ATOM   3739 N N    . PHE   B 1 125 ? -32.737 6.297   -2.707  1   43.296 ? 137 PHE   B N    1 ? 2 
ATOM   3740 C CA   . PHE   B 1 125 ? -33.121 5.114   -3.469  1   42.404 ? 137 PHE   B CA   1 ? 2 
ATOM   3741 C C    . PHE   B 1 125 ? -34.641 4.997   -3.478  1   45.123 ? 137 PHE   B C    1 ? 2 
ATOM   3742 O O    . PHE   B 1 125 ? -35.283 5.536   -2.596  1   46.23  ? 137 PHE   B O    1 ? 2 
ATOM   3743 C CB   . PHE   B 1 125 ? -32.442 3.87    -2.889  1   39.393 ? 137 PHE   B CB   1 ? 2 
ATOM   3744 C CG   . PHE   B 1 125 ? -32.699 3.569   -1.423  1   41.431 ? 137 PHE   B CG   1 ? 2 
ATOM   3745 C CD1  . PHE   B 1 125 ? -31.933 4.155   -0.43   1   42.498 ? 137 PHE   B CD1  1 ? 2 
ATOM   3746 C CD2  . PHE   B 1 125 ? -33.622 2.627   -1.056  1   46.042 ? 137 PHE   B CD2  1 ? 2 
ATOM   3747 C CE1  . PHE   B 1 125 ? -32.145 3.856   0.903   1   45.47  ? 137 PHE   B CE1  1 ? 2 
ATOM   3748 C CE2  . PHE   B 1 125 ? -33.859 2.364   0.295   1   51.849 ? 137 PHE   B CE2  1 ? 2 
ATOM   3749 C CZ   . PHE   B 1 125 ? -33.106 2.962   1.263   1   47.257 ? 137 PHE   B CZ   1 ? 2 
ATOM   3750 H H    . PHE   B 1 125 ? -33.303 6.605   -2.06   1   44.297 ? 137 PHE   B H    1 c 2 
ATOM   3751 H HA   . PHE   B 1 125 ? -32.811 5.234   -4.403  1   42.177 ? 137 PHE   B HA   1 c 2 
ATOM   3752 H HB2  . PHE   B 1 125 ? -32.727 3.093   -3.419  1   40.174 ? 137 PHE   B HB2  1 c 2 
ATOM   3753 H HB3  . PHE   B 1 125 ? -31.472 3.965   -3.02   1   38.372 ? 137 PHE   B HB3  1 c 2 
ATOM   3754 H HD1  . PHE   B 1 125 ? -31.269 4.783   -0.667  1   41.882 ? 137 PHE   B HD1  1 c 2 
ATOM   3755 H HD2  . PHE   B 1 125 ? -34.16  2.218   -1.715  1   47.101 ? 137 PHE   B HD2  1 c 2 
ATOM   3756 H HE1  . PHE   B 1 125 ? -31.631 4.287   1.567   1   44.532 ? 137 PHE   B HE1  1 c 2 
ATOM   3757 H HE2  . PHE   B 1 125 ? -34.513 1.729   0.538   1   50.749 ? 137 PHE   B HE2  1 c 2 
ATOM   3758 H HZ   . PHE   B 1 125 ? -33.253 2.76    2.174   1   48.486 ? 137 PHE   B HZ   1 c 2 
ATOM   3759 N N    . LYS   B 1 126 ? -35.21  4.398   -4.528  1   46.238 ? 138 LYS   B N    1 ? 2 
ATOM   3760 C CA   . LYS   B 1 126 ? -36.641 4.458   -4.796  1   49.24  ? 138 LYS   B CA   1 ? 2 
ATOM   3761 C C    . LYS   B 1 126 ? -37.018 3.135   -5.461  1   49.404 ? 138 LYS   B C    1 ? 2 
ATOM   3762 O O    . LYS   B 1 126 ? -36.227 2.578   -6.214  1   49.514 ? 138 LYS   B O    1 ? 2 
ATOM   3763 C CB   . LYS   B 1 126 ? -37.059 5.736   -5.556  1   50.291 ? 138 LYS   B CB   1 ? 2 
ATOM   3764 H H    . LYS   B 1 126 ? -34.678 3.93    -5.106  1   44.971 ? 138 LYS   B H    1 c 2 
ATOM   3765 H HA   . LYS   B 1 126 ? -37.107 4.488   -3.922  1   49.86  ? 138 LYS   B HA   1 c 2 
ATOM   3766 H HB2  . LYS   B 1 126 ? -36.328 6.206   -5.77   0   30     ? 138 LYS   B HB2  1 c 2 
ATOM   3767 H HB3  . LYS   B 1 126 ? -38.099 5.721   -5.483  0   30     ? 138 LYS   B HB3  1 c 2 
ATOM   3768 N N    . GLY   B 1 127 ? -38.244 2.64    -5.215  1   55.954 ? 139 GLY   B N    1 ? 2 
ATOM   3769 C CA   . GLY   B 1 127 ? -38.647 1.318   -5.697  1   58.754 ? 139 GLY   B CA   1 ? 2 
ATOM   3770 C C    . GLY   B 1 127 ? -38.959 1.288   -7.195  1   63.089 ? 139 GLY   B C    1 ? 2 
ATOM   3771 O O    . GLY   B 1 127 ? -39.582 2.223   -7.666  1   67.328 ? 139 GLY   B O    1 ? 2 
ATOM   3772 H H    . GLY   B 1 127 ? -38.843 3.138   -4.737  1   56.881 ? 139 GLY   B H    1 c 2 
ATOM   3773 H HA2  . GLY   B 1 127 ? -37.925 0.675   -5.502  1   56.716 ? 139 GLY   B HA2  1 c 2 
ATOM   3774 H HA3  . GLY   B 1 127 ? -39.445 1.029   -5.196  1   60.648 ? 139 GLY   B HA3  1 c 2 
ATOM   3775 N N    . GLU   B 1 128 ? -38.554 0.213   -7.911  1   65.364 ? 140 GLU   B N    1 ? 2 
ATOM   3776 C CA   . GLU   B 1 128 ? -38.986 -0.096  -9.278  1   69.824 ? 140 GLU   B CA   1 ? 2 
ATOM   3777 C C    . GLU   B 1 128 ? -40.45  0.322   -9.526  1   76.342 ? 140 GLU   B C    1 ? 2 
ATOM   3778 O O    . GLU   B 1 128 ? -41.221 0.563   -8.555  1   81.86  ? 140 GLU   B O    1 ? 2 
ATOM   3779 C CB   . GLU   B 1 128 ? -38.863 -1.57   -9.702  1   64.174 ? 140 GLU   B CB   1 ? 2 
ATOM   3780 O OXT  . GLU   B 1 128 ? -40.789 0.396   -10.717 1   78.287 ? 140 GLU   B OXT  1 ? 2 
ATOM   3781 H H    . GLU   B 1 128 ? -37.966 -0.363  -7.513  1   63.103 ? 140 GLU   B H    1 c 2 
ATOM   3782 H HA   . GLU   B 1 128 ? -38.415 0.43    -9.895  1   67.827 ? 140 GLU   B HA   1 c 2 
ATOM   3783 H HB2  . GLU   B 1 128 ? -37.828 -1.674  -9.652  0   30     ? 140 GLU   B HB2  1 c 2 
ATOM   3784 H HB3  . GLU   B 1 128 ? -39.662 -1.952  -9.732  0   30     ? 140 GLU   B HB3  1 c 2 
HETATM 3785 C C4   . A1INL C 2 .   ? -6.021  -17.354 -19.818 1   25.655 ? 201 A1INL A C4   1 ? 1 
HETATM 3786 C C14  . A1INL C 2 .   ? -10.817 -14.699 -18.613 1   26.895 ? 201 A1INL A C14  1 ? 1 
HETATM 3787 C C5   . A1INL C 2 .   ? -6.518  -18.498 -19.226 1   27.493 ? 201 A1INL A C5   1 ? 1 
HETATM 3788 C C6   . A1INL C 2 .   ? -6.618  -18.595 -17.845 1   32.65  ? 201 A1INL A C6   1 ? 1 
HETATM 3789 C C11  . A1INL C 2 .   ? -10.31  -18.43  -18.474 1   34.233 ? 201 A1INL A C11  1 ? 1 
HETATM 3790 C C7   . A1INL C 2 .   ? -6.329  -17.491 -17.06  1   29.677 ? 201 A1INL A C7   1 ? 1 
HETATM 3791 C C8   . A1INL C 2 .   ? -7.546  -16.971 -15.066 1   38.869 ? 201 A1INL A C8   1 ? 1 
HETATM 3792 C C9   . A1INL C 2 .   ? -7.951  -20.562 -17.785 1   35.455 ? 201 A1INL A C9   1 ? 1 
HETATM 3793 C C10  . A1INL C 2 .   ? -9.337  -20.391 -17.208 1   41.713 ? 201 A1INL A C10  1 ? 1 
HETATM 3794 C C12  . A1INL C 2 .   ? -10.772 -17.215 -18.056 1   33.185 ? 201 A1INL A C12  1 ? 1 
HETATM 3795 C C13  . A1INL C 2 .   ? -11.377 -16.103 -18.842 1   29.455 ? 201 A1INL A C13  1 ? 1 
HETATM 3796 N N1   . A1INL C 2 .   ? -9.936  -19.075 -17.357 1   38.563 ? 201 A1INL A N1   1 ? 1 
HETATM 3797 N N2   . A1INL C 2 .   ? -10.626 -17.169 -16.725 1   41.957 ? 201 A1INL A N2   1 ? 1 
HETATM 3798 C C3   . A1INL C 2 .   ? -5.674  -16.267 -19.036 1   23.054 ? 201 A1INL A C3   1 ? 1 
HETATM 3799 N N3   . A1INL C 2 .   ? -10.049 -18.274 -16.283 1   41.73  ? 201 A1INL A N3   1 ? 1 
HETATM 3800 C C1   . A1INL C 2 .   ? -5.234  -14.077 -17.331 1   27.543 ? 201 A1INL A C1   1 ? 1 
HETATM 3801 O O1   . A1INL C 2 .   ? -5.556  -15.346 -16.762 1   27.51  ? 201 A1INL A O1   1 ? 1 
HETATM 3802 C C2   . A1INL C 2 .   ? -5.875  -16.332 -17.648 1   28.963 ? 201 A1INL A C2   1 ? 1 
HETATM 3803 O O2   . A1INL C 2 .   ? -6.413  -17.613 -15.684 1   35.666 ? 201 A1INL A O2   1 ? 1 
HETATM 3804 O O3   . A1INL C 2 .   ? -7.053  -19.682 -17.113 1   34.456 ? 201 A1INL A O3   1 ? 1 
HETATM 3805 C C15  . A1INL C 2 .   ? -9.355  -14.535 -18.9   1   24.96  ? 201 A1INL A C15  1 ? 1 
HETATM 3806 O O4   . A1INL C 2 .   ? -8.94   -15.046 -20.212 1   22.599 ? 201 A1INL A O4   1 ? 1 
HETATM 3807 C C16  . A1INL C 2 .   ? -9.272  -14.346 -21.301 1   22.403 ? 201 A1INL A C16  1 ? 1 
HETATM 3808 O O5   . A1INL C 2 .   ? -9.985  -13.398 -21.308 1   21.634 ? 201 A1INL A O5   1 ? 1 
HETATM 3809 C C17  . A1INL C 2 .   ? -8.736  -15.01  -22.561 1   22.509 ? 201 A1INL A C17  1 ? 1 
HETATM 3810 C C18  . A1INL C 2 .   ? -9.917  -15.391 -23.48  1   25.053 ? 201 A1INL A C18  1 ? 1 
HETATM 3811 C C19  . A1INL C 2 .   ? -10.73  -16.585 -23.062 1   23.771 ? 201 A1INL A C19  1 ? 1 
HETATM 3812 C C20  . A1INL C 2 .   ? -9.794  -17.779 -22.859 1   23.658 ? 201 A1INL A C20  1 ? 1 
HETATM 3813 C C21  . A1INL C 2 .   ? -8.655  -17.469 -21.884 1   23.697 ? 201 A1INL A C21  1 ? 1 
HETATM 3814 N N4   . A1INL C 2 .   ? -7.901  -16.183 -22.222 1   22.284 ? 201 A1INL A N4   1 ? 1 
HETATM 3815 C C22  . A1INL C 2 .   ? -6.584  -16.081 -21.936 1   23.518 ? 201 A1INL A C22  1 ? 1 
HETATM 3816 O O6   . A1INL C 2 .   ? -6.092  -14.985 -21.96  1   24.014 ? 201 A1INL A O6   1 ? 1 
HETATM 3817 C C23  . A1INL C 2 .   ? -5.823  -17.29  -21.332 1   25.048 ? 201 A1INL A C23  1 ? 1 
HETATM 3818 C C24  . A1INL C 2 .   ? -4.314  -17.177 -21.648 1   24.726 ? 201 A1INL A C24  1 ? 1 
HETATM 3819 C C25  . A1INL C 2 .   ? -3.45   -18.212 -20.979 1   26.371 ? 201 A1INL A C25  1 ? 1 
HETATM 3820 C C26  . A1INL C 2 .   ? -1.967  -18.005 -21.292 1   29.063 ? 201 A1INL A C26  1 ? 1 
HETATM 3821 C C27  . A1INL C 2 .   ? -1.711  -18.209 -22.772 1   26.243 ? 201 A1INL A C27  1 ? 1 
HETATM 3822 C C28  . A1INL C 2 .   ? -2.605  -17.264 -23.535 1   25.348 ? 201 A1INL A C28  1 ? 1 
HETATM 3823 C C29  . A1INL C 2 .   ? -4.055  -17.292 -23.158 1   24.376 ? 201 A1INL A C29  1 ? 1 
HETATM 3824 H H17  . A1INL C 2 .   ? -11.314 -14.077 -19.174 1   26.273 ? 201 A1INL A H17  1 c 1 
HETATM 3825 H H16  . A1INL C 2 .   ? -10.978 -14.454 -17.684 1   27.903 ? 201 A1INL A H16  1 c 1 
HETATM 3826 H H5   . A1INL C 2 .   ? -6.691  -19.253 -19.763 1   28.639 ? 201 A1INL A H5   1 c 1 
HETATM 3827 H H13  . A1INL C 2 .   ? -10.321 -18.776 -19.35  1   34.252 ? 201 A1INL A H13  1 c 1 
HETATM 3828 H H7   . A1INL C 2 .   ? -7.39   -16.896 -14.11  1   39.307 ? 201 A1INL A H7   1 c 1 
HETATM 3829 H H8   . A1INL C 2 .   ? -8.34   -17.499 -15.221 1   38.301 ? 201 A1INL A H8   1 c 1 
HETATM 3830 H H6   . A1INL C 2 .   ? -7.666  -16.084 -15.444 1   36.665 ? 201 A1INL A H6   1 c 1 
HETATM 3831 H H10  . A1INL C 2 .   ? -7.97   -20.364 -18.741 1   35.148 ? 201 A1INL A H10  1 c 1 
HETATM 3832 H H9   . A1INL C 2 .   ? -7.656  -21.488 -17.661 1   37.818 ? 201 A1INL A H9   1 c 1 
HETATM 3833 H H11  . A1INL C 2 .   ? -9.304  -20.605 -16.254 1   41.444 ? 201 A1INL A H11  1 c 1 
HETATM 3834 H H12  . A1INL C 2 .   ? -9.931  -21.042 -17.632 1   40.526 ? 201 A1INL A H12  1 c 1 
HETATM 3835 H H15  . A1INL C 2 .   ? -11.281 -16.318 -19.788 1   28.763 ? 201 A1INL A H15  1 c 1 
HETATM 3836 H H14  . A1INL C 2 .   ? -12.332 -16.084 -18.648 1   30.114 ? 201 A1INL A H14  1 c 1 
HETATM 3837 H H4   . A1INL C 2 .   ? -5.376  -15.469 -19.443 1   23.903 ? 201 A1INL A H4   1 c 1 
HETATM 3838 H H2   . A1INL C 2 .   ? -5.102  -13.43  -16.619 1   27.776 ? 201 A1INL A H2   1 c 1 
HETATM 3839 H H3   . A1INL C 2 .   ? -5.962  -13.782 -17.902 1   26.281 ? 201 A1INL A H3   1 c 1 
HETATM 3840 H H1   . A1INL C 2 .   ? -4.419  -14.151 -17.854 1   26.81  ? 201 A1INL A H1   1 c 1 
HETATM 3841 H H19  . A1INL C 2 .   ? -9.133  -13.583 -18.836 1   24.516 ? 201 A1INL A H19  1 c 1 
HETATM 3842 H H18  . A1INL C 2 .   ? -8.855  -15.001 -18.199 1   25.758 ? 201 A1INL A H18  1 c 1 
HETATM 3843 H H20  . A1INL C 2 .   ? -8.161  -14.353 -23.037 1   22.131 ? 201 A1INL A H20  1 c 1 
HETATM 3844 H H22  . A1INL C 2 .   ? -10.522 -14.613 -23.552 1   23.488 ? 201 A1INL A H22  1 c 1 
HETATM 3845 H H21  . A1INL C 2 .   ? -9.56   -15.563 -24.382 1   23.678 ? 201 A1INL A H21  1 c 1 
HETATM 3846 H H23  . A1INL C 2 .   ? -11.396 -16.797 -23.756 1   24.159 ? 201 A1INL A H23  1 c 1 
HETATM 3847 H H24  . A1INL C 2 .   ? -11.208 -16.388 -22.224 1   24.41  ? 201 A1INL A H24  1 c 1 
HETATM 3848 H H25  . A1INL C 2 .   ? -9.414  -18.042 -23.724 1   23.791 ? 201 A1INL A H25  1 c 1 
HETATM 3849 H H26  . A1INL C 2 .   ? -10.311 -18.539 -22.516 1   24.897 ? 201 A1INL A H26  1 c 1 
HETATM 3850 H H27  . A1INL C 2 .   ? -8.027  -18.225 -21.888 1   24.345 ? 201 A1INL A H27  1 c 1 
HETATM 3851 H H28  . A1INL C 2 .   ? -9.024  -17.394 -20.975 1   24.152 ? 201 A1INL A H28  1 c 1 
HETATM 3852 H H29  . A1INL C 2 .   ? -6.173  -18.129 -21.729 1   25.326 ? 201 A1INL A H29  1 c 1 
HETATM 3853 H H30  . A1INL C 2 .   ? -4.001  -16.283 -21.352 1   24.426 ? 201 A1INL A H30  1 c 1 
HETATM 3854 H H31  . A1INL C 2 .   ? -3.722  -19.102 -21.28  1   27.562 ? 201 A1INL A H31  1 c 1 
HETATM 3855 H H32  . A1INL C 2 .   ? -3.581  -18.169 -20.01  1   27.374 ? 201 A1INL A H32  1 c 1 
HETATM 3856 H H34  . A1INL C 2 .   ? -1.698  -17.098 -21.035 1   27.491 ? 201 A1INL A H34  1 c 1 
HETATM 3857 H H33  . A1INL C 2 .   ? -1.429  -18.644 -20.774 1   29.071 ? 201 A1INL A H33  1 c 1 
HETATM 3858 H H36  . A1INL C 2 .   ? -0.769  -18.022 -22.979 1   27.32  ? 201 A1INL A H36  1 c 1 
HETATM 3859 H H35  . A1INL C 2 .   ? -1.91   -19.137 -23.023 1   27.667 ? 201 A1INL A H35  1 c 1 
HETATM 3860 H H38  . A1INL C 2 .   ? -2.269  -16.349 -23.408 1   24.705 ? 201 A1INL A H38  1 c 1 
HETATM 3861 H H37  . A1INL C 2 .   ? -2.529  -17.47  -24.494 1   25.224 ? 201 A1INL A H37  1 c 1 
HETATM 3862 H H39  . A1INL C 2 .   ? -4.448  -18.128 -23.482 1   24.972 ? 201 A1INL A H39  1 c 1 
HETATM 3863 H H40  . A1INL C 2 .   ? -4.511  -16.557 -23.614 1   23.632 ? 201 A1INL A H40  1 c 1 
HETATM 3864 C C4   . A1INL D 2 .   ? -15.508 3.023   -14.211 1   33.821 ? 201 A1INL B C4   1 ? 2 
HETATM 3865 C C14  . A1INL D 2 .   ? -20.423 0.698   -15.029 1   36.759 ? 201 A1INL B C14  1 ? 2 
HETATM 3866 C C5   . A1INL D 2 .   ? -15.876 4.221   -14.8   1   34.896 ? 201 A1INL B C5   1 ? 2 
HETATM 3867 C C6   . A1INL D 2 .   ? -16.009 4.328   -16.16  1   38.525 ? 201 A1INL B C6   1 ? 2 
HETATM 3868 C C11  . A1INL D 2 .   ? -19.679 4.425   -15.186 1   44.284 ? 201 A1INL B C11  1 ? 2 
HETATM 3869 C C7   . A1INL D 2 .   ? -15.827 3.246   -16.973 1   37.85  ? 201 A1INL B C7   1 ? 2 
HETATM 3870 C C8   . A1INL D 2 .   ? -17.143 2.802   -18.92  1   43.663 ? 201 A1INL B C8   1 ? 2 
HETATM 3871 C C9   . A1INL D 2 .   ? -17.24  6.394   -16.085 1   49.406 ? 201 A1INL B C9   1 ? 2 
HETATM 3872 C C10  . A1INL D 2 .   ? -18.679 6.321   -16.548 1   51.019 ? 201 A1INL B C10  1 ? 2 
HETATM 3873 C C12  . A1INL D 2 .   ? -20.218 3.221   -15.549 1   45.914 ? 201 A1INL B C12  1 ? 2 
HETATM 3874 C C13  . A1INL D 2 .   ? -20.812 2.144   -14.692 1   43.793 ? 201 A1INL B C13  1 ? 2 
HETATM 3875 N N1   . A1INL D 2 .   ? -19.334 5.035   -16.347 1   49.267 ? 201 A1INL B N1   1 ? 2 
HETATM 3876 N N2   . A1INL D 2 .   ? -20.22  3.167   -16.918 1   48.632 ? 201 A1INL B N2   1 ? 2 
HETATM 3877 C C3   . A1INL D 2 .   ? -15.24  1.95    -15.043 1   33.148 ? 201 A1INL B C3   1 ? 2 
HETATM 3878 N N3   . A1INL D 2 .   ? -19.669 4.271   -17.402 1   51.241 ? 201 A1INL B N3   1 ? 2 
HETATM 3879 C C1   . A1INL D 2 .   ? -14.97  -0.213  -16.794 1   34.257 ? 201 A1INL B C1   1 ? 2 
HETATM 3880 O O1   . A1INL D 2 .   ? -15.225 1.063   -17.316 1   35.846 ? 201 A1INL B O1   1 ? 2 
HETATM 3881 C C2   . A1INL D 2 .   ? -15.402 2.059   -16.411 1   35.194 ? 201 A1INL B C2   1 ? 2 
HETATM 3882 O O2   . A1INL D 2 .   ? -15.987 3.381   -18.341 1   42.629 ? 201 A1INL B O2   1 ? 2 
HETATM 3883 O O3   . A1INL D 2 .   ? -16.495 5.415   -16.834 1   43.216 ? 201 A1INL B O3   1 ? 2 
HETATM 3884 C C15  . A1INL D 2 .   ? -18.977 0.352   -14.77  1   32.996 ? 201 A1INL B C15  1 ? 2 
HETATM 3885 O O4   . A1INL D 2 .   ? -18.556 0.887   -13.501 1   28.119 ? 201 A1INL B O4   1 ? 2 
HETATM 3886 C C16  . A1INL D 2 .   ? -18.744 0.15    -12.394 1   28.859 ? 201 A1INL B C16  1 ? 2 
HETATM 3887 O O5   . A1INL D 2 .   ? -19.38  -0.879  -12.363 1   29.232 ? 201 A1INL B O5   1 ? 2 
HETATM 3888 C C17  . A1INL D 2 .   ? -18.011 0.774   -11.208 1   30.371 ? 201 A1INL B C17  1 ? 2 
HETATM 3889 C C18  . A1INL D 2 .   ? -19.012 1.182   -10.12  1   30.258 ? 201 A1INL B C18  1 ? 2 
HETATM 3890 C C19  . A1INL D 2 .   ? -19.833 2.366   -10.514 1   31.547 ? 201 A1INL B C19  1 ? 2 
HETATM 3891 C C20  . A1INL D 2 .   ? -18.889 3.535   -10.708 1   30.228 ? 201 A1INL B C20  1 ? 2 
HETATM 3892 C C21  . A1INL D 2 .   ? -17.863 3.248   -11.805 1   32.913 ? 201 A1INL B C21  1 ? 2 
HETATM 3893 N N4   . A1INL D 2 .   ? -17.189 1.955   -11.632 1   29.435 ? 201 A1INL B N4   1 ? 2 
HETATM 3894 C C22  . A1INL D 2 .   ? -15.921 1.784   -12.047 1   31.324 ? 201 A1INL B C22  1 ? 2 
HETATM 3895 O O6   . A1INL D 2 .   ? -15.428 0.651   -12.04  1   28.604 ? 201 A1INL B O6   1 ? 2 
HETATM 3896 C C23  . A1INL D 2 .   ? -15.163 2.953   -12.732 1   31.837 ? 201 A1INL B C23  1 ? 2 
HETATM 3897 C C24  . A1INL D 2 .   ? -13.634 2.813   -12.433 1   33.892 ? 201 A1INL B C24  1 ? 2 
HETATM 3898 C C25  . A1INL D 2 .   ? -12.748 3.8     -13.183 1   37.325 ? 201 A1INL B C25  1 ? 2 
HETATM 3899 C C26  . A1INL D 2 .   ? -11.274 3.617   -12.763 1   36.827 ? 201 A1INL B C26  1 ? 2 
HETATM 3900 C C27  . A1INL D 2 .   ? -10.915 3.778   -11.322 1   33.914 ? 201 A1INL B C27  1 ? 2 
HETATM 3901 C C28  . A1INL D 2 .   ? -11.765 2.765   -10.594 1   30.953 ? 201 A1INL B C28  1 ? 2 
HETATM 3902 C C29  . A1INL D 2 .   ? -13.258 2.981   -10.951 1   32.801 ? 201 A1INL B C29  1 ? 2 
HETATM 3903 H H17  . A1INL D 2 .   ? -20.984 0.099   -14.504 1   36.403 ? 201 A1INL B H17  1 c 2 
HETATM 3904 H H16  . A1INL D 2 .   ? -20.617 0.539   -15.97  1   38.869 ? 201 A1INL B H16  1 c 2 
HETATM 3905 H H5   . A1INL D 2 .   ? -16.017 4.975   -14.252 1   35.694 ? 201 A1INL B H5   1 c 2 
HETATM 3906 H H13  . A1INL D 2 .   ? -19.54  4.75    -14.313 1   44.264 ? 201 A1INL B H13  1 c 2 
HETATM 3907 H H7   . A1INL D 2 .   ? -17.116 2.924   -19.883 1   45.669 ? 201 A1INL B H7   1 c 2 
HETATM 3908 H H8   . A1INL D 2 .   ? -17.933 3.233   -18.563 1   43.314 ? 201 A1INL B H8   1 c 2 
HETATM 3909 H H6   . A1INL D 2 .   ? -17.17  1.854   -18.714 1   42.009 ? 201 A1INL B H6   1 c 2 
HETATM 3910 H H10  . A1INL D 2 .   ? -17.191 6.21    -15.128 1   45.826 ? 201 A1INL B H10  1 c 2 
HETATM 3911 H H9   . A1INL D 2 .   ? -16.88  7.289   -16.258 1   49.58  ? 201 A1INL B H9   1 c 2 
HETATM 3912 H H11  . A1INL D 2 .   ? -18.712 6.536   -17.501 1   53.021 ? 201 A1INL B H11  1 c 2 
HETATM 3913 H H12  . A1INL D 2 .   ? -19.194 7.003   -16.072 1   51.087 ? 201 A1INL B H12  1 c 2 
HETATM 3914 H H15  . A1INL D 2 .   ? -20.563 2.322   -13.766 1   40.817 ? 201 A1INL B H15  1 c 2 
HETATM 3915 H H14  . A1INL D 2 .   ? -21.782 2.217   -14.747 1   42.875 ? 201 A1INL B H14  1 c 2 
HETATM 3916 H H4   . A1INL D 2 .   ? -14.926 1.143   -14.667 1   31.981 ? 201 A1INL B H4   1 c 2 
HETATM 3917 H H2   . A1INL D 2 .   ? -14.913 -0.852  -17.523 1   34.94  ? 201 A1INL B H2   1 c 2 
HETATM 3918 H H3   . A1INL D 2 .   ? -15.69  -0.47   -16.196 1   32.783 ? 201 A1INL B H3   1 c 2 
HETATM 3919 H H1   . A1INL D 2 .   ? -14.129 -0.204  -16.308 1   33.456 ? 201 A1INL B H1   1 c 2 
HETATM 3920 H H19  . A1INL D 2 .   ? -18.861 -0.62   -14.779 1   31.959 ? 201 A1INL B H19  1 c 2 
HETATM 3921 H H18  . A1INL D 2 .   ? -18.424 0.727   -15.485 1   33.95  ? 201 A1INL B H18  1 c 2 
HETATM 3922 H H20  . A1INL D 2 .   ? -17.395 0.091   -10.832 1   28.484 ? 201 A1INL B H20  1 c 2 
HETATM 3923 H H22  . A1INL D 2 .   ? -19.613 0.422   -9.928  1   29.5   ? 201 A1INL B H22  1 c 2 
HETATM 3924 H H21  . A1INL D 2 .   ? -18.518 1.393   -9.293  1   29.255 ? 201 A1INL B H21  1 c 2 
HETATM 3925 H H23  . A1INL D 2 .   ? -20.489 2.574   -9.81   1   30.758 ? 201 A1INL B H23  1 c 2 
HETATM 3926 H H24  . A1INL D 2 .   ? -20.319 2.182   -11.35  1   31.996 ? 201 A1INL B H24  1 c 2 
HETATM 3927 H H25  . A1INL D 2 .   ? -18.421 3.721   -9.866  1   30.391 ? 201 A1INL B H25  1 c 2 
HETATM 3928 H H26  . A1INL D 2 .   ? -19.406 4.332   -10.949 1   32.411 ? 201 A1INL B H26  1 c 2 
HETATM 3929 H H27  . A1INL D 2 .   ? -17.194 3.969   -11.802 1   32.732 ? 201 A1INL B H27  1 c 2 
HETATM 3930 H H28  . A1INL D 2 .   ? -18.314 3.262   -12.679 1   33.172 ? 201 A1INL B H28  1 c 2 
HETATM 3931 H H29  . A1INL D 2 .   ? -15.478 3.8     -12.323 1   32.82  ? 201 A1INL B H29  1 c 2 
HETATM 3932 H H30  . A1INL D 2 .   ? -13.357 1.9     -12.708 1   33.204 ? 201 A1INL B H30  1 c 2 
HETATM 3933 H H31  . A1INL D 2 .   ? -13.035 4.713   -12.988 1   37.843 ? 201 A1INL B H31  1 c 2 
HETATM 3934 H H32  . A1INL D 2 .   ? -12.833 3.652   -14.147 1   38.188 ? 201 A1INL B H32  1 c 2 
HETATM 3935 H H34  . A1INL D 2 .   ? -10.991 2.719   -13.044 1   36.078 ? 201 A1INL B H34  1 c 2 
HETATM 3936 H H33  . A1INL D 2 .   ? -10.735 4.256   -13.28  1   38.499 ? 201 A1INL B H33  1 c 2 
HETATM 3937 H H36  . A1INL D 2 .   ? -9.961  3.594   -11.181 1   34.505 ? 201 A1INL B H36  1 c 2 
HETATM 3938 H H35  . A1INL D 2 .   ? -11.121 4.688   -11.014 1   34.819 ? 201 A1INL B H35  1 c 2 
HETATM 3939 H H38  . A1INL D 2 .   ? -11.491 1.857   -10.851 1   30.953 ? 201 A1INL B H38  1 c 2 
HETATM 3940 H H37  . A1INL D 2 .   ? -11.639 2.863   -9.624  1   30.658 ? 201 A1INL B H37  1 c 2 
HETATM 3941 H H39  . A1INL D 2 .   ? -13.514 3.882   -10.669 1   32.856 ? 201 A1INL B H39  1 c 2 
HETATM 3942 H H40  . A1INL D 2 .   ? -13.792 2.352   -10.424 1   30.801 ? 201 A1INL B H40  1 c 2 
HETATM 3943 O O    . HOH   E 3 .   ? -25.374 -14.441 -21.552 1   42.335 ? 301 HOH   A O    1 ? ? 
HETATM 3944 O O    . HOH   E 3 .   ? 3.845   -8.221  -28.031 1   38.742 ? 302 HOH   A O    1 ? ? 
HETATM 3945 O O    . HOH   E 3 .   ? -5.799  -2.35   -40.942 1   37.78  ? 303 HOH   A O    1 ? ? 
HETATM 3946 O O    . HOH   E 3 .   ? -1.029  -11.36  -10.041 1   33.545 ? 304 HOH   A O    1 ? ? 
HETATM 3947 O O    . HOH   E 3 .   ? -24.177 -19.137 -37.591 1   40.309 ? 305 HOH   A O    1 ? ? 
HETATM 3948 O O    . HOH   E 3 .   ? -1.958  -1.174  -32.915 1   41.748 ? 306 HOH   A O    1 ? ? 
HETATM 3949 O O    . HOH   E 3 .   ? -18.642 -25.689 -19.876 1   49.483 ? 307 HOH   A O    1 ? ? 
HETATM 3950 O O    . HOH   E 3 .   ? -28.341 -13.966 -31.32  1   47.321 ? 308 HOH   A O    1 ? ? 
HETATM 3951 O O    . HOH   E 3 .   ? -14.541 -13.243 -40.551 1   38.03  ? 309 HOH   A O    1 ? ? 
HETATM 3952 O O    . HOH   E 3 .   ? -17.756 -15.313 -39.941 1   38.526 ? 310 HOH   A O    1 ? ? 
HETATM 3953 O O    . HOH   E 3 .   ? 1.746   -22.874 -36.406 1   36.066 ? 311 HOH   A O    1 ? ? 
HETATM 3954 O O    . HOH   E 3 .   ? -15.083 -5.979  -24.456 1   42.005 ? 312 HOH   A O    1 ? ? 
HETATM 3955 O O    . HOH   E 3 .   ? 0.399   -8.021  -21.702 1   25.202 ? 313 HOH   A O    1 ? ? 
HETATM 3956 O O    . HOH   E 3 .   ? -14.586 -14.815 -17.388 1   38.945 ? 314 HOH   A O    1 ? ? 
HETATM 3957 O O    . HOH   E 3 .   ? -8.535  -4.111  -24.538 1   34.456 ? 315 HOH   A O    1 ? ? 
HETATM 3958 O O    . HOH   E 3 .   ? -12.983 -2.889  -32.766 1   38.401 ? 316 HOH   A O    1 ? ? 
HETATM 3959 O O    . HOH   E 3 .   ? -2.963  -13.975 -14.328 1   35.381 ? 317 HOH   A O    1 ? ? 
HETATM 3960 O O    . HOH   E 3 .   ? -5.985  -20.019 -44.064 1   39.041 ? 318 HOH   A O    1 ? ? 
HETATM 3961 O O    . HOH   E 3 .   ? 1.427   -22.192 -33.635 1   47.509 ? 319 HOH   A O    1 ? ? 
HETATM 3962 O O    . HOH   E 3 .   ? -4.292  -5.984  -18.13  1   30.003 ? 320 HOH   A O    1 ? ? 
HETATM 3963 O O    . HOH   E 3 .   ? -12.239 -7.218  -21.02  1   26.644 ? 321 HOH   A O    1 ? ? 
HETATM 3964 O O    . HOH   E 3 .   ? -1.82   -10.389 -12.056 1   29.203 ? 322 HOH   A O    1 ? ? 
HETATM 3965 O O    . HOH   E 3 .   ? -6.738  -6.954  -19.774 1   30.855 ? 323 HOH   A O    1 ? ? 
HETATM 3966 O O    . HOH   E 3 .   ? -8.306  -23.738 -19.492 1   42.998 ? 324 HOH   A O    1 ? ? 
HETATM 3967 O O    . HOH   E 3 .   ? -1.355  -8.925  -23.514 1   24.79  ? 325 HOH   A O    1 ? ? 
HETATM 3968 O O    . HOH   E 3 .   ? -5.877  -27.704 -34.221 1   40.617 ? 326 HOH   A O    1 ? ? 
HETATM 3969 O O    . HOH   E 3 .   ? -2.616  -8.695  -41.781 1   44.31  ? 327 HOH   A O    1 ? ? 
HETATM 3970 O O    . HOH   E 3 .   ? 0.643   -7.973  -14.168 1   36.078 ? 328 HOH   A O    1 ? ? 
HETATM 3971 O O    . HOH   E 3 .   ? -17.602 -10.84  -22.387 1   26.49  ? 329 HOH   A O    1 ? ? 
HETATM 3972 O O    . HOH   E 3 .   ? -6.295  -20.195 -14.475 1   44.887 ? 330 HOH   A O    1 ? ? 
HETATM 3973 O O    . HOH   E 3 .   ? -16.548 -7.424  -34.054 1   29.92  ? 331 HOH   A O    1 ? ? 
HETATM 3974 O O    . HOH   E 3 .   ? -2.801  -8.273  -34.039 1   32.036 ? 332 HOH   A O    1 ? ? 
HETATM 3975 O O    . HOH   E 3 .   ? -8.683  -6.615  -23.169 1   22.823 ? 333 HOH   A O    1 ? ? 
HETATM 3976 O O    . HOH   E 3 .   ? -3.008  -2.307  -30.952 1   39.462 ? 334 HOH   A O    1 ? ? 
HETATM 3977 O O    . HOH   E 3 .   ? 2.033   -2.269  -35.142 1   36.004 ? 335 HOH   A O    1 ? ? 
HETATM 3978 O O    . HOH   E 3 .   ? -19.244 -8.358  -28.797 1   43.36  ? 336 HOH   A O    1 ? ? 
HETATM 3979 O O    . HOH   E 3 .   ? -13.135 -24.918 -20.711 1   43.405 ? 337 HOH   A O    1 ? ? 
HETATM 3980 O O    . HOH   E 3 .   ? -6.224  -0.956  -23.954 1   35.17  ? 338 HOH   A O    1 ? ? 
HETATM 3981 O O    . HOH   E 3 .   ? -10.853 -0.688  -32.511 1   32.323 ? 339 HOH   A O    1 ? ? 
HETATM 3982 O O    . HOH   E 3 .   ? 1.824   -8.113  -32.23  1   37.912 ? 340 HOH   A O    1 ? ? 
HETATM 3983 O O    . HOH   E 3 .   ? -16.802 -22.23  -19.031 1   35.137 ? 341 HOH   A O    1 ? ? 
HETATM 3984 O O    . HOH   E 3 .   ? 4.38    -11.658 -26.825 1   39.119 ? 342 HOH   A O    1 ? ? 
HETATM 3985 O O    . HOH   E 3 .   ? 6.341   -8.44   -17.636 1   36.017 ? 343 HOH   A O    1 ? ? 
HETATM 3986 O O    . HOH   E 3 .   ? -4.626  -5.087  -42.301 1   35.276 ? 344 HOH   A O    1 ? ? 
HETATM 3987 O O    . HOH   E 3 .   ? 1.157   -5.062  -37.233 1   41.829 ? 345 HOH   A O    1 ? ? 
HETATM 3988 O O    . HOH   E 3 .   ? -1.081  -14.739 -13.143 1   30.097 ? 346 HOH   A O    1 ? ? 
HETATM 3989 O O    . HOH   E 3 .   ? 4.386   -18.258 -36.611 1   45.328 ? 347 HOH   A O    1 ? ? 
HETATM 3990 O O    . HOH   E 3 .   ? -1.793  -13.656 -10.569 1   28.49  ? 348 HOH   A O    1 ? ? 
HETATM 3991 O O    . HOH   E 3 .   ? -9.17   -25.601 -31.091 1   43.58  ? 349 HOH   A O    1 ? ? 
HETATM 3992 O O    . HOH   E 3 .   ? 3.299   -15.184 -43.648 1   53.75  ? 350 HOH   A O    1 ? ? 
HETATM 3993 O O    . HOH   E 3 .   ? -3.666  -20.65  -17.59  1   51.081 ? 351 HOH   A O    1 ? ? 
HETATM 3994 O O    . HOH   E 3 .   ? -28.666 -18.833 -38.408 1   58.311 ? 352 HOH   A O    1 ? ? 
HETATM 3995 O O    . HOH   E 3 .   ? -4.485  0.211   -29.164 1   42.581 ? 353 HOH   A O    1 ? ? 
HETATM 3996 O O    . HOH   E 3 .   ? -26.6   -20.471 -36.755 1   48.732 ? 354 HOH   A O    1 ? ? 
HETATM 3997 O O    . HOH   E 3 .   ? -2.887  -0.713  -22.17  1   41.682 ? 355 HOH   A O    1 ? ? 
HETATM 3998 O O    . HOH   E 3 .   ? 4.140   0.546   -21.768 1   38.458 ? 356 HOH   A O    1 ? ? 
HETATM 3999 O O    . HOH   E 3 .   ? -13.384 -5.31   -22.557 1   41.252 ? 357 HOH   A O    1 ? ? 
HETATM 4000 O O    . HOH   E 3 .   ? 0.271   -8.735  -34.182 1   40.57  ? 358 HOH   A O    1 ? ? 
HETATM 4001 O O    . HOH   E 3 .   ? 4.869   -12.668 -24.221 1   46.922 ? 359 HOH   A O    1 ? ? 
HETATM 4002 O O    . HOH   E 3 .   ? -3.613  -17.911 -10.896 1   37.932 ? 360 HOH   A O    1 ? ? 
HETATM 4003 O O    . HOH   F 3 .   ? -36.601 -4.283  -4.709  1   42.471 ? 301 HOH   B O    1 ? ? 
HETATM 4004 O O    . HOH   F 3 .   ? -25.159 0.791   6.72    1   32.121 ? 302 HOH   B O    1 ? ? 
HETATM 4005 O O    . HOH   F 3 .   ? -4.907  -0.412  11.366  1   48.408 ? 303 HOH   B O    1 ? ? 
HETATM 4006 O O    . HOH   F 3 .   ? -7.069  -12.948 -1.367  1   45.16  ? 304 HOH   B O    1 ? ? 
HETATM 4007 O O    . HOH   F 3 .   ? -30.609 -4.272  1.512   1   43.583 ? 305 HOH   B O    1 ? ? 
HETATM 4008 O O    . HOH   F 3 .   ? -25.418 -4.853  -11.304 1   53.702 ? 306 HOH   B O    1 ? ? 
HETATM 4009 O O    . HOH   F 3 .   ? -14.416 12.995  0.218   1   43.121 ? 307 HOH   B O    1 ? ? 
HETATM 4010 O O    . HOH   F 3 .   ? -13.605 -12.453 6.521   1   26.303 ? 308 HOH   B O    1 ? ? 
HETATM 4011 O O    . HOH   F 3 .   ? -18.205 -7.704  -11.128 1   24.075 ? 309 HOH   B O    1 ? ? 
HETATM 4012 O O    . HOH   F 3 .   ? -31.949 4.493   5.101   1   35.208 ? 310 HOH   B O    1 ? ? 
HETATM 4013 O O    . HOH   F 3 .   ? -11.893 -10.248 7.374   1   28.756 ? 311 HOH   B O    1 ? ? 
HETATM 4014 O O    . HOH   F 3 .   ? -14.494 -17.11  -2.862  1   43.949 ? 312 HOH   B O    1 ? ? 
HETATM 4015 O O    . HOH   F 3 .   ? -9.435  -6.545  -13.195 1   23.214 ? 313 HOH   B O    1 ? ? 
HETATM 4016 O O    . HOH   F 3 .   ? -8.116  -12.014 -5.262  1   28.922 ? 314 HOH   B O    1 ? ? 
HETATM 4017 O O    . HOH   F 3 .   ? -26.161 7.96    -13.697 1   39.779 ? 315 HOH   B O    1 ? ? 
HETATM 4018 O O    . HOH   F 3 .   ? -10.975 -5.49   -11.024 1   23.627 ? 316 HOH   B O    1 ? ? 
HETATM 4019 O O    . HOH   F 3 .   ? -10.269 -5.966  7.746   1   26.213 ? 317 HOH   B O    1 ? ? 
HETATM 4020 O O    . HOH   F 3 .   ? -25.2   4.456   8.111   1   34.159 ? 318 HOH   B O    1 ? ? 
HETATM 4021 O O    . HOH   F 3 .   ? -25.148 -7.008  0.674   1   27.767 ? 319 HOH   B O    1 ? ? 
HETATM 4022 O O    . HOH   F 3 .   ? -23.646 -8.312  2.652   1   34.635 ? 320 HOH   B O    1 ? ? 
HETATM 4023 O O    . HOH   F 3 .   ? -15.925 -4.505  -18.587 1   36.033 ? 321 HOH   B O    1 ? ? 
HETATM 4024 O O    . HOH   F 3 .   ? -7.09   -7.301  -3.027  1   32.121 ? 322 HOH   B O    1 ? ? 
HETATM 4025 O O    . HOH   F 3 .   ? -4.818  -3.653  -8.2    1   34.723 ? 323 HOH   B O    1 ? ? 
HETATM 4026 O O    . HOH   F 3 .   ? -21.7   -11.49  -1.018  1   31.98  ? 324 HOH   B O    1 ? ? 
HETATM 4027 O O    . HOH   F 3 .   ? -20.419 -9.054  7.701   1   35.295 ? 325 HOH   B O    1 ? ? 
HETATM 4028 O O    . HOH   F 3 .   ? -19.448 -13.955 -1.602  1   26.734 ? 326 HOH   B O    1 ? ? 
HETATM 4029 O O    . HOH   F 3 .   ? -10.677 4.008   4.941   1   37.924 ? 327 HOH   B O    1 ? ? 
HETATM 4030 O O    . HOH   F 3 .   ? -6.788  -5.785  0.853   1   30.165 ? 328 HOH   B O    1 ? ? 
HETATM 4031 O O    . HOH   F 3 .   ? -22.144 -1.676  7.275   1   32.165 ? 329 HOH   B O    1 ? ? 
HETATM 4032 O O    . HOH   F 3 .   ? -11.193 -6.573  -0.696  1   24.405 ? 330 HOH   B O    1 ? ? 
HETATM 4033 O O    . HOH   F 3 .   ? -12.179 -12.738 -4.154  1   39.289 ? 331 HOH   B O    1 ? ? 
HETATM 4034 O O    . HOH   F 3 .   ? -17.339 9.518   -14.269 1   50.226 ? 332 HOH   B O    1 ? ? 
HETATM 4035 O O    . HOH   F 3 .   ? -21.753 15.089  1.407   1   39.465 ? 333 HOH   B O    1 ? ? 
HETATM 4036 O O    . HOH   F 3 .   ? -26.876 -7.373  -3.394  1   46.315 ? 334 HOH   B O    1 ? ? 
HETATM 4037 O O    . HOH   F 3 .   ? -12.384 -11.953 -15.932 1   28.023 ? 335 HOH   B O    1 ? ? 
HETATM 4038 O O    . HOH   F 3 .   ? -6.847  7.399   -0.571  1   49.345 ? 336 HOH   B O    1 ? ? 
HETATM 4039 O O    . HOH   F 3 .   ? -12.114 0.793   -19.77  1   41.973 ? 337 HOH   B O    1 ? ? 
HETATM 4040 O O    . HOH   F 3 .   ? -10.451 -12.469 -10.406 1   48.879 ? 338 HOH   B O    1 ? ? 
HETATM 4041 O O    . HOH   F 3 .   ? -2.52   -6.188  -14.339 1   36.882 ? 339 HOH   B O    1 ? ? 
HETATM 4042 O O    . HOH   F 3 .   ? -17.99  0.047   9.327   1   34.779 ? 340 HOH   B O    1 ? ? 
HETATM 4043 O O    . HOH   F 3 .   ? -12.901 -2.929  -21.962 1   36.145 ? 341 HOH   B O    1 ? ? 
HETATM 4044 O O    . HOH   F 3 .   ? -2.754  -7.596  -10.108 1   34.678 ? 342 HOH   B O    1 ? ? 
HETATM 4045 O O    . HOH   F 3 .   ? -12.941 -8.228  8.748   1   27.569 ? 343 HOH   B O    1 ? ? 
HETATM 4046 O O    . HOH   F 3 .   ? -15.666 -8.759  9.062   1   28.316 ? 344 HOH   B O    1 ? ? 
HETATM 4047 O O    . HOH   F 3 .   ? -15.39  7.981   10.243  1   43.266 ? 345 HOH   B O    1 ? ? 
HETATM 4048 O O    . HOH   F 3 .   ? -9.795  -5.931  -20.715 1   29.953 ? 346 HOH   B O    1 ? ? 
HETATM 4049 O O    . HOH   F 3 .   ? -21.146 17.028  -8.799  1   42.31  ? 347 HOH   B O    1 ? ? 
HETATM 4050 O O    . HOH   F 3 .   ? -21.186 9.554   11.494  1   44.744 ? 348 HOH   B O    1 ? ? 
HETATM 4051 O O    . HOH   F 3 .   ? -7.365  -10.333 2.265   1   29.133 ? 349 HOH   B O    1 ? ? 
HETATM 4052 O O    . HOH   F 3 .   ? -6.846  -8.081  2.274   1   37.348 ? 350 HOH   B O    1 ? ? 
HETATM 4053 O O    . HOH   F 3 .   ? -13.908 -18.209 2.157   1   43.404 ? 351 HOH   B O    1 ? ? 
HETATM 4054 O O    . HOH   F 3 .   ? -3.455  2.988   1.171   1   32.569 ? 352 HOH   B O    1 ? ? 
HETATM 4055 O O    . HOH   F 3 .   ? -10.509 -14.213 -2.468  1   36.66  ? 353 HOH   B O    1 ? ? 
HETATM 4056 O O    . HOH   F 3 .   ? -7.558  -7.29   8.757   1   35.342 ? 354 HOH   B O    1 ? ? 
HETATM 4057 O O    . HOH   F 3 .   ? -13.586 -14.626 -4.939  1   40.335 ? 355 HOH   B O    1 ? ? 
HETATM 4058 O O    . HOH   F 3 .   ? -8.228  -13.619 -3.275  1   37.534 ? 356 HOH   B O    1 ? ? 
HETATM 4059 O O    . HOH   F 3 .   ? -10.762 -14.739 3.58    1   43.98  ? 357 HOH   B O    1 ? ? 
HETATM 4060 O O    . HOH   F 3 .   ? -18.095 10.758  -2.078  1   36.185 ? 358 HOH   B O    1 ? ? 
HETATM 4061 O O    . HOH   F 3 .   ? -9.332  6.203   6.118   1   42.328 ? 359 HOH   B O    1 ? ? 
HETATM 4062 O O    . HOH   F 3 .   ? -5.496  -9.404  6.575   1   45.107 ? 360 HOH   B O    1 ? ? 
HETATM 4063 O O    . HOH   F 3 .   ? -20.628 -3.542  -15.296 1   43.447 ? 361 HOH   B O    1 ? ? 
HETATM 4064 O O    . HOH   F 3 .   ? -5.377  -10.908 3.675   1   39.66  ? 362 HOH   B O    1 ? ? 
HETATM 4065 O O    . HOH   F 3 .   ? -19.947 4.303   12.187  1   44.737 ? 363 HOH   B O    1 ? ? 
HETATM 4066 O O    . HOH   F 3 .   ? -34.33  5.812   4.062   1   39.339 ? 364 HOH   B O    1 ? ? 
HETATM 4067 O O    . HOH   F 3 .   ? -18.756 15.006  0.930   1   35.738 ? 365 HOH   B O    1 ? ? 
HETATM 4068 O O    . HOH   F 3 .   ? -8.336  -6.464  -0.883  1   30.958 ? 366 HOH   B O    1 ? ? 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N    . GLY   A 1   ? 0.615227 0.966019 0.497875 0.363863    0.0940088   -0.135447   13  GLY   A N    
2    C CA   . GLY   A 1   ? 0.623394 0.902014 0.517156 0.353742    0.0661062   -0.145802   13  GLY   A CA   
3    C C    . GLY   A 1   ? 0.627045 0.87308  0.489894 0.332815    0.0600844   -0.13597    13  GLY   A C    
4    O O    . GLY   A 1   ? 0.663062 0.93738  0.496534 0.325112    0.0760015   -0.118125   13  GLY   A O    
5    H H1   . GLY   A 1   ? 0.624641 0.997008 0.528645 0.376913    0.0974289   -0.142068   13  GLY   A H1   
6    H H2   . GLY   A 1   ? 0.601012 0.961108 0.483072 0.343041    0.104059    -0.108539   13  GLY   A H2   
7    H H3   . GLY   A 1   ? 0.644003 1.0113   0.500006 0.37813     0.0980852   -0.148802   13  GLY   A H3   
8    H HA2  . GLY   A 1   ? 0.645604 0.911942 0.543485 0.375311    0.054203    -0.174475   13  GLY   A HA2  
9    H HA3  . GLY   A 1   ? 0.600498 0.864763 0.520471 0.339443    0.062191    -0.130638   13  GLY   A HA3  
10   N N    . ALA   A 2   ? 0.61165  0.798134 0.486372 0.321162    0.0370076   -0.14281    14  ALA   A N    
11   C CA   . ALA   A 2   ? 0.578178 0.733275 0.432309 0.301389    0.0293082   -0.134628   14  ALA   A CA   
12   C C    . ALA   A 2   ? 0.535773 0.705697 0.381402 0.273939    0.0465042   -0.0962174  14  ALA   A C    
13   O O    . ALA   A 2   ? 0.552836 0.728845 0.369071 0.269643    0.0511521   -0.088714   14  ALA   A O    
14   C CB   . ALA   A 2   ? 0.58214  0.679241 0.460481 0.288352    0.00605445  -0.140153   14  ALA   A CB   
15   H H    . ALA   A 2   ? 0.609198 0.775812 0.50727  0.325916    0.0259178   -0.151823   14  ALA   A H    
16   H HA   . ALA   A 2   ? 0.606103 0.770394 0.436033 0.31568     0.0275789   -0.151459   14  ALA   A HA   
17   H HB1  . ALA   A 2   ? 0.60152  0.684205 0.481654 0.304113    -0.00711282 -0.165685   14  ALA   A HB1  
18   H HB2  . ALA   A 2   ? 0.563893 0.654515 0.465729 0.28129     0.00550369  -0.1294     14  ALA   A HB2  
19   H HB3  . ALA   A 2   ? 0.563851 0.645146 0.433927 0.271288    0.00410849  -0.128803   14  ALA   A HB3  
20   N N    . PRO   A 3   ? 0.487275 0.661616 0.35832  0.254791    0.0541252   -0.0715559  15  PRO   A N    
21   C CA   . PRO   A 3   ? 0.483963 0.668119 0.350094 0.228884    0.0678377   -0.0393281  15  PRO   A CA   
22   C C    . PRO   A 3   ? 0.53053  0.763018 0.373611 0.234773    0.0891147   -0.0256605  15  PRO   A C    
23   O O    . PRO   A 3   ? 0.561975 0.788519 0.386252 0.220814    0.0935554   -0.00741449 15  PRO   A O    
24   C CB   . PRO   A 3   ? 0.466726 0.648285 0.366392 0.211803    0.0676385   -0.0240079  15  PRO   A CB   
25   C CG   . PRO   A 3   ? 0.471429 0.621543 0.390795 0.222361    0.0478763   -0.0437264  15  PRO   A CG   
26   C CD   . PRO   A 3   ? 0.517673 0.677982 0.424739 0.253855    0.0448042   -0.0730237  15  PRO   A CD   
27   H HA   . PRO   A 3   ? 0.481223 0.637447 0.339309 0.217826    0.0603105   -0.0370368  15  PRO   A HA   
28   H HB2  . PRO   A 3   ? 0.465954 0.681721 0.374686 0.215098    0.0791885   -0.0167217  15  PRO   A HB2  
29   H HB3  . PRO   A 3   ? 0.448928 0.614892 0.34988  0.191516    0.0672659   -0.00941151 15  PRO   A HB3  
30   H HG2  . PRO   A 3   ? 0.466645 0.626224 0.407073 0.220874    0.04798     -0.0377427  15  PRO   A HG2  
31   H HG3  . PRO   A 3   ? 0.466521 0.583585 0.385092 0.211063    0.0374524   -0.0432726  15  PRO   A HG3  
32   H HD2  . PRO   A 3   ? 0.513745 0.703537 0.430324 0.267986    0.0518461   -0.0772778  15  PRO   A HD2  
33   H HD3  . PRO   A 3   ? 0.512872 0.642612 0.426139 0.259223    0.0294536   -0.0880225  15  PRO   A HD3  
34   N N    . ALA   A 4   ? 0.531138 0.812046 0.376107 0.255788    0.102214    -0.0328523  16  ALA   A N    
35   C CA   . ALA   A 4   ? 0.528418 0.863626 0.351005 0.262193    0.124984    -0.0171886  16  ALA   A CA   
36   C C    . ALA   A 4   ? 0.606184 0.937487 0.383906 0.275989    0.120695    -0.0282472  16  ALA   A C    
37   O O    . ALA   A 4   ? 0.698363 1.05441  0.451791 0.270356    0.134439    -0.00408667 16  ALA   A O    
38   C CB   . ALA   A 4   ? 0.56792  0.961472 0.400553 0.287555    0.139736    -0.029391   16  ALA   A CB   
39   H H    . ALA   A 4   ? 0.530364 0.812555 0.391985 0.266946    0.0973079   -0.0469727  16  ALA   A H    
40   H HA   . ALA   A 4   ? 0.531612 0.870952 0.362191 0.241105    0.133579    0.00958014  16  ALA   A HA   
41   H HB1  . ALA   A 4   ? 0.543883 0.94287  0.40702  0.279651    0.141362    -0.0221926  16  ALA   A HB1  
42   H HB2  . ALA   A 4   ? 0.578555 0.966194 0.403954 0.309488    0.130465    -0.0578391  16  ALA   A HB2  
43   H HB3  . ALA   A 4   ? 0.577373 1.01053  0.394539 0.290321    0.156517    -0.0161665  16  ALA   A HB3  
44   N N    . THR   A 5   ? 0.635492 0.94039  0.40288  0.296106    0.101087    -0.0650259  17  THR   A N    
45   C CA   . THR   A 5   ? 0.695927 1.0012   0.420927 0.310835    0.093812    -0.0796209  17  THR   A CA   
46   C C    . THR   A 5   ? 0.630103 0.901253 0.346891 0.284525    0.087924    -0.0533939  17  THR   A C    
47   O O    . THR   A 5   ? 0.708482 0.994871 0.391311 0.287339    0.0916182   -0.0413985  17  THR   A O    
48   C CB   . THR   A 5   ? 0.758902 1.0362   0.484365 0.333924    0.0698524   -0.126708   17  THR   A CB   
49   O OG1  . THR   A 5   ? 0.792513 1.11134  0.520397 0.363091    0.0788712   -0.150328   17  THR   A OG1  
50   C CG2  . THR   A 5   ? 0.740669 1.01118  0.427338 0.347664    0.0548635   -0.148341   17  THR   A CG2  
51   H H    . THR   A 5   ? 0.63155  0.918392 0.419342 0.300589    0.0911168   -0.080843   17  THR   A H    
52   H HA   . THR   A 5   ? 0.711088 1.05976  0.414903 0.323089    0.108388    -0.0751787  17  THR   A HA   
53   H HB   . THR   A 5   ? 0.720524 0.959475 0.4724   0.322366    0.0574485   -0.129365   17  THR   A HB   
55   H HG21 . THR   A 5   ? 0.771736 1.02916  0.462442 0.363657    0.0404298   -0.180617   17  THR   A HG21 
56   H HG22 . THR   A 5   ? 0.777245 1.08702  0.434717 0.358148    0.0673266   -0.142288   17  THR   A HG22 
57   H HG23 . THR   A 5   ? 0.738842 0.98024  0.426853 0.330326    0.0465048   -0.136159   17  THR   A HG23 
58   N N    . VAL   A 6   ? 0.620179 0.846991 0.367848 0.260149    0.0784918   -0.0439905  18  VAL   A N    
59   C CA   . VAL   A 6   ? 0.570218 0.766017 0.314318 0.237913    0.0730674   -0.0232136  18  VAL   A CA   
60   C C    . VAL   A 6   ? 0.578243 0.798402 0.319373 0.221812    0.0932351   0.0163743   18  VAL   A C    
61   O O    . VAL   A 6   ? 0.618376 0.833768 0.339189 0.217137    0.0928639   0.0332976   18  VAL   A O    
62   C CB   . VAL   A 6   ? 0.525513 0.672468 0.30154  0.217477    0.0588556   -0.0257143  18  VAL   A CB   
63   C CG1  . VAL   A 6   ? 0.492139 0.613305 0.263987 0.198713    0.0547484   -0.00763868 18  VAL   A CG1  
64   C CG2  . VAL   A 6   ? 0.533172 0.65371  0.316777 0.230849    0.0380617   -0.060416   18  VAL   A CG2  
65   H H    . VAL   A 6   ? 0.591404 0.808301 0.362615 0.258247    0.0752015   -0.0508048  18  VAL   A H    
66   H HA   . VAL   A 6   ? 0.5945   0.78647  0.316784 0.247543    0.0645914   -0.0334592  18  VAL   A HA   
67   H HB   . VAL   A 6   ? 0.507267 0.659133 0.303321 0.208116    0.0659559   -0.0157666  18  VAL   A HB   
68   H HG11 . VAL   A 6   ? 0.518655 0.645726 0.268068 0.208397    0.0515256   -0.0104367  18  VAL   A HG11 
69   H HG12 . VAL   A 6   ? 0.490542 0.618468 0.268894 0.185832    0.0655608   0.0140574   18  VAL   A HG12 
70   H HG13 . VAL   A 6   ? 0.483818 0.576898 0.270384 0.190391    0.0439922   -0.0151799  18  VAL   A HG13 
71   H HG21 . VAL   A 6   ? 0.51365  0.606252 0.31629  0.216806    0.0303468   -0.0583707  18  VAL   A HG21 
72   H HG22 . VAL   A 6   ? 0.54145  0.675605 0.331164 0.243599    0.0399076   -0.0722644  18  VAL   A HG22 
73   H HG23 . VAL   A 6   ? 0.55089  0.669631 0.315761 0.240652    0.0300763   -0.0725173  18  VAL   A HG23 
74   N N    . THR   A 7   ? 0.589122 0.833918 0.35417  0.212505    0.108979    0.0323883   19  THR   A N    
75   C CA   . THR   A 7   ? 0.655432 0.929049 0.422012 0.197485    0.128778    0.0702093   19  THR   A CA   
76   C C    . THR   A 7   ? 0.772791 1.0859   0.497773 0.214767    0.139955    0.0811734   19  THR   A C    
77   O O    . THR   A 7   ? 0.811522 1.12315  0.525646 0.202491    0.145383    0.112428    19  THR   A O    
78   C CB   . THR   A 7   ? 0.698453 1.00732  0.497293 0.191561    0.143817    0.0788491   19  THR   A CB   
79   O OG1  . THR   A 7   ? 0.588828 0.860593 0.421374 0.171693    0.132359    0.0760391   19  THR   A OG1  
80   C CG2  . THR   A 7   ? 0.711557 1.06047  0.516709 0.176985    0.166168    0.117866    19  THR   A CG2  
81   H H    . THR   A 7   ? 0.584673 0.828442 0.368043 0.214878    0.106597    0.0205502   19  THR   A H    
82   H HA   . THR   A 7   ? 0.652244 0.898112 0.427826 0.17948     0.124502    0.0840834   19  THR   A HA   
83   H HB   . THR   A 7   ? 0.680947 1.01239  0.476193 0.210835    0.145566    0.0601592   19  THR   A HB   
85   H HG21 . THR   A 7   ? 0.697011 1.05837  0.531285 0.166508    0.171618    0.124028    19  THR   A HG21 
86   H HG22 . THR   A 7   ? 0.712789 1.03894  0.515086 0.162555    0.163638    0.135319    19  THR   A HG22 
87   H HG23 . THR   A 7   ? 0.736311 1.12238  0.520855 0.192493    0.177163    0.119674    19  THR   A HG23 
88   N N    . GLU   A 8   ? 0.765113 1.1125   0.465337 0.24459     0.141807    0.0548741   20  GLU   A N    
89   C CA   . GLU   A 8   ? 0.860441 1.25878  0.517955 0.262809    0.155739    0.0656444   20  GLU   A CA   
90   C C    . GLU   A 8   ? 0.800414 1.17731  0.417237 0.274152    0.137712    0.0557184   20  GLU   A C    
91   O O    . GLU   A 8   ? 0.913035 1.32085  0.494065 0.280507    0.146364    0.0781375   20  GLU   A O    
92   C CB   . GLU   A 8   ? 0.879678 1.33275  0.527854 0.292466    0.167306    0.0387566   20  GLU   A CB   
93   H H    . GLU   A 8   ? 0.773436 1.11305  0.48314  0.254446    0.133956    0.0294578   20  GLU   A H    
94   H HA   . GLU   A 8   ? 0.837062 1.25285  0.499432 0.248441    0.170209    0.0990944   20  GLU   A HA   
97   N N    . GLN   A 9   ? 0.76665  1.09622  0.388587 0.278325    0.112207    0.0220752   21  GLN   A N    
98   C CA   . GLN   A 9   ? 0.822398 1.14039  0.408663 0.293873    0.0924623   0.00327392  21  GLN   A CA   
99   C C    . GLN   A 9   ? 0.711619 0.971601 0.315296 0.274715    0.0721011   0.00714988  21  GLN   A C    
100  O O    . GLN   A 9   ? 0.705442 0.953955 0.286905 0.285339    0.0528938   -0.00845271 21  GLN   A O    
101  C CB   . GLN   A 9   ? 0.907188 1.21353  0.487271 0.317396    0.0710851   -0.0499272  21  GLN   A CB   
102  C CG   . GLN   A 9   ? 0.975246 1.3154   0.557419 0.34078     0.0794456   -0.0798546  21  GLN   A CG   
103  C CD   . GLN   A 9   ? 0.97532  1.38516  0.515679 0.362103    0.100634    -0.0717521  21  GLN   A CD   
104  O OE1  . GLN   A 9   ? 1.06688  1.49599  0.562436 0.373688    0.0960799   -0.0692379  21  GLN   A OE1  
105  N NE2  . GLN   A 9   ? 1.09706  1.54852  0.65228  0.367405    0.123697    -0.0661956  21  GLN   A NE2  
106  H H    . GLN   A 9   ? 0.751719 1.05756  0.401301 0.271184    0.106439    0.0107081   21  GLN   A H    
107  H HA   . GLN   A 9   ? 0.841477 1.19075  0.396996 0.301698    0.100639    0.0192521   21  GLN   A HA   
108  H HB2  . GLN   A 9   ? 0.869133 1.13491  0.475277 0.305899    0.0577557   -0.0590781  21  GLN   A HB2  
109  H HB3  . GLN   A 9   ? 0.924441 1.23836  0.474599 0.329475    0.0616781   -0.0582507  21  GLN   A HB3  
110  H HG2  . GLN   A 9   ? 0.926177 1.26047  0.539105 0.329788    0.0874612   -0.0716651  21  GLN   A HG2  
111  H HG3  . GLN   A 9   ? 0.961238 1.28405  0.544024 0.353568    0.0621861   -0.113974   21  GLN   A HG3  
112  H HE21 . GLN   A 9   ? 1.07119  1.56305  0.611416 0.36864     0.141927    -0.0443581  21  GLN   A HE21 
113  H HE22 . GLN   A 9   ? 1.03993  1.48031  0.621431 0.369733    0.120822    -0.0833022  21  GLN   A HE22 
114  N N    . GLY   A 10  ? 0.691247 0.918975 0.335915 0.249165    0.0749698   0.0218018   22  GLY   A N    
115  C CA   . GLY   A 10  ? 0.613585 0.788987 0.282478 0.23334     0.0565566   0.0148458   22  GLY   A CA   
116  C C    . GLY   A 10  ? 0.618388 0.782385 0.278037 0.222802    0.0553124   0.0450935   22  GLY   A C    
117  O O    . GLY   A 10  ? 0.607287 0.79207  0.260844 0.216028    0.072287    0.0790601   22  GLY   A O    
118  H H    . GLY   A 10  ? 0.667248 0.908694 0.325395 0.241199    0.0890967   0.0367295   22  GLY   A H    
119  H HA2  . GLY   A 10  ? 0.62845  0.79329  0.292934 0.243869    0.0416416   -0.0114357  22  GLY   A HA2  
120  H HA3  . GLY   A 10  ? 0.596963 0.757055 0.293674 0.219531    0.0596769   0.0173172   22  GLY   A HA3  
121  N N    . GLU   A 11  ? 0.598248 0.734899 0.256496 0.22456     0.0348317   0.0320395   23  GLU   A N    
122  C CA   . GLU   A 11  ? 0.588579 0.708601 0.245055 0.216698    0.0294169   0.0569131   23  GLU   A CA   
123  C C    . GLU   A 11  ? 0.533844 0.619667 0.230251 0.190816    0.0344288   0.0733754   23  GLU   A C    
124  O O    . GLU   A 11  ? 0.444035 0.508689 0.167732 0.180873    0.030336    0.0544405   23  GLU   A O    
125  C CB   . GLU   A 11  ? 0.689403 0.798787 0.335575 0.229739    0.00471838  0.031374    23  GLU   A CB   
126  C CG   . GLU   A 11  ? 0.793822 0.879968 0.45032  0.221901    -0.00481264 0.0506157   23  GLU   A CG   
127  C CD   . GLU   A 11  ? 0.970606 1.04756  0.626892 0.231823    -0.0303307  0.0279655   23  GLU   A CD   
128  O OE1  . GLU   A 11  ? 0.94129  1.02295  0.595113 0.241383    -0.0434676  -0.00708948 23  GLU   A OE1  
129  O OE2  . GLU   A 11  ? 0.959541 1.02307  0.623781 0.229187    -0.0379491  0.0457139   23  GLU   A OE2  
130  H H    . GLU   A 11  ? 0.596966 0.725059 0.258317 0.231175    0.0230479   0.0063981   23  GLU   A H    
131  H HA   . GLU   A 11  ? 0.626532 0.768673 0.261719 0.22163     0.0380384   0.0786102   23  GLU   A HA   
132  H HB2  . GLU   A 11  ? 0.714341 0.848501 0.330752 0.24653     0.00170595  0.0245594   23  GLU   A HB2  
133  H HB3  . GLU   A 11  ? 0.666432 0.760991 0.330675 0.227254    -0.00298265 0.0079877   23  GLU   A HB3  
134  H HG2  . GLU   A 11  ? 0.771839 0.836187 0.456238 0.206172    -0.00013993 0.0566002   23  GLU   A HG2  
135  H HG3  . GLU   A 11  ? 0.821503 0.920556 0.460399 0.224864    0.00160226  0.0757034   23  GLU   A HG3  
136  N N    . ASP   A 12  ? 0.520929 0.603219 0.219793 0.1807      0.0431097   0.108838    24  ASP   A N    
137  C CA   . ASP   A 12  ? 0.499695 0.54881  0.234915 0.158429    0.0455405   0.121656    24  ASP   A CA   
138  C C    . ASP   A 12  ? 0.478642 0.496591 0.226305 0.158864    0.0278355   0.111177    24  ASP   A C    
139  O O    . ASP   A 12  ? 0.522055 0.539497 0.254901 0.16893     0.0193621   0.125221    24  ASP   A O    
140  C CB   . ASP   A 12  ? 0.539514 0.591071 0.278934 0.147342    0.0583558   0.162247    24  ASP   A CB   
141  C CG   . ASP   A 12  ? 0.527595 0.545617 0.307812 0.12368     0.060921    0.171086    24  ASP   A CG   
142  O OD1  . ASP   A 12  ? 0.514985 0.506831 0.316592 0.117588    0.0517456   0.146231    24  ASP   A OD1  
143  O OD2  . ASP   A 12  ? 0.512354 0.530496 0.302806 0.111743    0.070934    0.204004    24  ASP   A OD2  
144  H H    . ASP   A 12  ? 0.554528 0.655904 0.23162  0.188376    0.0471329   0.125372    24  ASP   A H    
145  H HA   . ASP   A 12  ? 0.476544 0.521759 0.228888 0.149891    0.0495452   0.110324    24  ASP   A HA   
146  H HB2  . ASP   A 12  ? 0.544821 0.623009 0.275207 0.148257    0.0704868   0.171049    24  ASP   A HB2  
147  H HB3  . ASP   A 12  ? 0.561177 0.612609 0.285678 0.155109    0.0530555   0.1762      24  ASP   A HB3  
148  N N    . ILE   A 13  ? 0.470475 0.468437 0.243609 0.150304    0.02175     0.0861274   25  ILE   A N    
149  C CA   . ILE   A 13  ? 0.489816 0.468078 0.276574 0.152563    0.00606222  0.0718048   25  ILE   A CA   
150  C C    . ILE   A 13  ? 0.51274  0.463486 0.331666 0.136503    0.00910974  0.0786996   25  ILE   A C    
151  O O    . ILE   A 13  ? 0.504992 0.442106 0.342173 0.136558    -0.00059015 0.0648422   25  ILE   A O    
152  C CB   . ILE   A 13  ? 0.4848   0.464154 0.278241 0.155514    -0.00420569 0.0391449   25  ILE   A CB   
153  C CG1  . ILE   A 13  ? 0.447347 0.420664 0.260126 0.140844    0.00471106  0.0302577   25  ILE   A CG1  
154  C CG2  . ILE   A 13  ? 0.518147 0.520302 0.282371 0.17428     -0.0122883  0.0254307   25  ILE   A CG2  
155  C CD1  . ILE   A 13  ? 0.474399 0.440971 0.303675 0.138388    -0.00540631 0.00503552  25  ILE   A CD1  
156  H H    . ILE   A 13  ? 0.453111 0.452298 0.235963 0.142986    0.0278124   0.0793594   25  ILE   A H    
157  H HA   . ILE   A 13  ? 0.514286 0.497639 0.286555 0.163406    -0.00098259 0.0790531   25  ILE   A HA   
158  H HB   . ILE   A 13  ? 0.477902 0.44715  0.284396 0.15513     -0.0131597  0.0321169   25  ILE   A HB   
159  H HG12 . ILE   A 13  ? 0.463002 0.449233 0.264801 0.143221    0.0119582   0.0338119   25  ILE   A HG12 
160  H HG13 . ILE   A 13  ? 0.450115 0.412288 0.277397 0.129677    0.0105186   0.0391107   25  ILE   A HG13 
161  H HG21 . ILE   A 13  ? 0.50603  0.504085 0.279398 0.175364    -0.0218122  0.00506914  25  ILE   A HG21 
162  H HG22 . ILE   A 13  ? 0.518107 0.53294  0.271536 0.175823    -0.0028348  0.0286591   25  ILE   A HG22 
163  H HG23 . ILE   A 13  ? 0.536512 0.54606  0.284447 0.184218    -0.0180172  0.0332449   25  ILE   A HG23 
164  H HD11 . ILE   A 13  ? 0.458114 0.417804 0.297529 0.138035    -0.0129927  0.00061716  25  ILE   A HD11 
165  H HD12 . ILE   A 13  ? 0.442883 0.404239 0.285332 0.127565    0.00061254  0.00431967  25  ILE   A HD12 
166  H HD13 . ILE   A 13  ? 0.468926 0.444328 0.286996 0.14803     -0.0108641  -0.0057804  25  ILE   A HD13 
167  N N    . THR   A 14  ? 0.482039 0.426438 0.3102   0.123547    0.0216518   0.0989299   26  THR   A N    
168  C CA   . THR   A 14  ? 0.474744 0.391273 0.33225  0.110748    0.0222186   0.10401     26  THR   A CA   
169  C C    . THR   A 14  ? 0.513028 0.413778 0.372427 0.119496    0.0139729   0.12339     26  THR   A C    
170  O O    . THR   A 14  ? 0.535225 0.449245 0.370457 0.129904    0.0134014   0.146669    26  THR   A O    
171  C CB   . THR   A 14  ? 0.445877 0.360103 0.317343 0.0925219   0.0351773   0.116183    26  THR   A CB   
172  O OG1  . THR   A 14  ? 0.463465 0.390079 0.321593 0.0938074   0.0425432   0.14743     26  THR   A OG1  
173  C CG2  . THR   A 14  ? 0.41788  0.349387 0.288318 0.0862498   0.0412594   0.099297    26  THR   A CG2  
174  H H    . THR   A 14  ? 0.49323  0.452001 0.310712 0.122853    0.0296738   0.108721    26  THR   A H    
175  H HA   . THR   A 14  ? 0.455795 0.365681 0.325771 0.1084      0.0183093   0.0850978   26  THR   A HA   
176  H HB   . THR   A 14  ? 0.448842 0.343118 0.340768 0.0843224   0.033739    0.114525    26  THR   A HB   
178  H HG21 . THR   A 14  ? 0.41474  0.344348 0.29822  0.0739317   0.0473199   0.104394    26  THR   A HG21 
179  H HG22 . THR   A 14  ? 0.422388 0.373065 0.275209 0.0942542   0.0437474   0.101779    26  THR   A HG22 
180  H HG23 . THR   A 14  ? 0.402028 0.32852  0.27765  0.0868373   0.0360732   0.0809082   26  THR   A HG23 
181  N N    . SER   A 15  ? 0.573371 0.448179 0.461482 0.116336    0.00778094  0.113427    27  SER   A N    
182  C CA   . SER   A 15  ? 0.614448 0.46594  0.51615  0.123765    -0.00113588 0.130313    27  SER   A CA   
183  C C    . SER   A 15  ? 0.584    0.421375 0.490672 0.113581    0.00597587  0.16406     27  SER   A C    
184  O O    . SER   A 15  ? 0.627346 0.458186 0.527025 0.121993    0.00078851  0.194604    27  SER   A O    
185  C CB   . SER   A 15  ? 0.606232 0.435881 0.541689 0.122766    -0.00678912 0.107067    27  SER   A CB   
186  O OG   . SER   A 15  ? 0.627813 0.475332 0.56144  0.132255    -0.0135489  0.0819807   27  SER   A OG   
187  H H    . SER   A 15  ? 0.536896 0.409368 0.43709  0.110179    0.00912553  0.0950307   27  SER   A H    
188  H HA   . SER   A 15  ? 0.612943 0.474329 0.499332 0.137275    -0.00899915 0.13544     27  SER   A HA   
189  H HB2  . SER   A 15  ? 0.603479 0.426802 0.550762 0.110277    9.436e-05   0.0981291   27  SER   A HB2  
190  H HB3  . SER   A 15  ? 0.638672 0.450231 0.586506 0.12838     -0.0129979  0.118245    27  SER   A HB3  
192  N N    . LYS   A 16  ? 0.571851 0.405089 0.493271 0.0943898   0.0168481   0.160903    28  LYS   A N    
193  C CA   . LYS   A 16  ? 0.649063 0.469245 0.584511 0.0798619   0.023594    0.192248    28  LYS   A CA   
194  C C    . LYS   A 16  ? 0.636224 0.489289 0.543571 0.0797404   0.0347994   0.222856    28  LYS   A C    
195  O O    . LYS   A 16  ? 0.678748 0.526709 0.596826 0.0684031   0.0410111   0.255958    28  LYS   A O    
196  C CB   . LYS   A 16  ? 0.666806 0.477571 0.629148 0.0585704   0.0298212   0.175958    28  LYS   A CB   
197  C CG   . LYS   A 16  ? 0.730118 0.516594 0.715862 0.0592119   0.0213692   0.142079    28  LYS   A CG   
198  C CD   . LYS   A 16  ? 0.873864 0.621031 0.897503 0.0478388   0.0162084   0.145755    28  LYS   A CD   
199  C CE   . LYS   A 16  ? 0.950348 0.701127 0.989307 0.026503    0.0220577   0.131038    28  LYS   A CE   
200  N NZ   . LYS   A 16  ? 0.898411 0.646904 0.943248 0.0296377   0.0181818   0.0895828   28  LYS   A NZ   
201  H H    . LYS   A 16  ? 0.559027 0.398735 0.483244 0.0894387   0.019611    0.140063    28  LYS   A H    
202  H HA   . LYS   A 16  ? 0.665018 0.461658 0.613943 0.0833323   0.016378    0.204799    28  LYS   A HA   
203  H HB2  . LYS   A 16  ? 0.651547 0.485936 0.601563 0.0552998   0.0366414   0.167581    28  LYS   A HB2  
204  H HB3  . LYS   A 16  ? 0.696327 0.49591  0.673912 0.0474974   0.0324746   0.195937    28  LYS   A HB3  
205  H HG2  . LYS   A 16  ? 0.731309 0.516317 0.711168 0.0733065   0.0147814   0.135654    28  LYS   A HG2  
206  H HG3  . LYS   A 16  ? 0.710422 0.510204 0.693331 0.0537997   0.025252    0.122318    28  LYS   A HG3  
207  H HD2  . LYS   A 16  ? 0.888882 0.625771 0.916718 0.0463549   0.0155601   0.174073    28  LYS   A HD2  
208  H HD3  . LYS   A 16  ? 0.867759 0.598221 0.903385 0.0561998   0.00876665  0.129048    28  LYS   A HD3  
209  H HE2  . LYS   A 16  ? 0.902088 0.678947 0.925546 0.0218529   0.0298227   0.136863    28  LYS   A HE2  
210  H HE3  . LYS   A 16  ? 0.945026 0.674797 1.00698  0.0158418   0.01985     0.14218     28  LYS   A HE3  
211  H HZ1  . LYS   A 16  ? 0.883937 0.650578 0.91074  0.038425    0.019866    0.0812074   28  LYS   A HZ1  
212  H HZ2  . LYS   A 16  ? 0.922697 0.648575 0.983886 0.0346458   0.0115459   0.08209     28  LYS   A HZ2  
213  H HZ3  . LYS   A 16  ? 0.898874 0.652053 0.949977 0.0177888   0.0205598   0.0793105   28  LYS   A HZ3  
214  N N    . LYS   A 17  ? 0.613214 0.501735 0.486545 0.0923049   0.0377038   0.211841    29  LYS   A N    
215  C CA   . LYS   A 17  ? 0.609345 0.536466 0.453677 0.0954959   0.0499734   0.234333    29  LYS   A CA   
216  C C    . LYS   A 17  ? 0.617469 0.554474 0.482619 0.0737127   0.0655217   0.246737    29  LYS   A C    
217  O O    . LYS   A 17  ? 0.620708 0.573947 0.484432 0.0668338   0.0764961   0.282649    29  LYS   A O    
218  C CB   . LYS   A 17  ? 0.673115 0.60793  0.494173 0.107643    0.0475856   0.271521    29  LYS   A CB   
219  C CG   . LYS   A 17  ? 0.71854  0.657742 0.512743 0.131757    0.031427    0.257843    29  LYS   A CG   
220  C CD   . LYS   A 17  ? 0.751589 0.729814 0.509467 0.147184    0.0318874   0.232169    29  LYS   A CD   
221  C CE   . LYS   A 17  ? 0.859304 0.844981 0.591858 0.170224    0.0130568   0.219106    29  LYS   A CE   
222  N NZ   . LYS   A 17  ? 0.75702  0.727129 0.510867 0.169458    0.00274995  0.177107    29  LYS   A NZ   
223  H H    . LYS   A 17  ? 0.590962 0.480805 0.460105 0.0994456   0.0318963   0.188334    29  LYS   A H    
224  H HA   . LYS   A 17  ? 0.602138 0.549201 0.427532 0.105032    0.0495874   0.214971    29  LYS   A HA   
225  H HB2  . LYS   A 17  ? 0.697416 0.607256 0.539438 0.0995851   0.0453121   0.291218    29  LYS   A HB2  
226  H HB3  . LYS   A 17  ? 0.688908 0.65294  0.492378 0.10771     0.0586302   0.28746     29  LYS   A HB3  
227  H HG2  . LYS   A 17  ? 0.703473 0.618819 0.517151 0.131748    0.0218875   0.239179    29  LYS   A HG2  
228  H HG3  . LYS   A 17  ? 0.752823 0.691935 0.53635  0.138219    0.0280176   0.284523    29  LYS   A HG3  
229  H HD2  . LYS   A 17  ? 0.773662 0.778389 0.513072 0.147917    0.0429258   0.24783     29  LYS   A HD2  
230  H HD3  . LYS   A 17  ? 0.727    0.702161 0.497477 0.141186    0.0336424   0.207167    29  LYS   A HD3  
231  H HE2  . LYS   A 17  ? 0.844551 0.816679 0.580205 0.174035    0.00551664  0.238045    29  LYS   A HE2  
232  H HE3  . LYS   A 17  ? 0.834827 0.849953 0.536785 0.18121     0.0148235   0.218314    29  LYS   A HE3  
233  H HZ1  . LYS   A 17  ? 0.761995 0.708872 0.542534 0.159359    0.0031744   0.176031    29  LYS   A HZ1  
234  H HZ2  . LYS   A 17  ? 0.756326 0.738791 0.505629 0.167549    0.00798348  0.160891    29  LYS   A HZ2  
235  H HZ3  . LYS   A 17  ? 0.781465 0.754171 0.527306 0.18121     -0.00970413 0.168587    29  LYS   A HZ3  
236  N N    . ASP   A 18  ? 0.553318 0.485255 0.437976 0.062821    0.0662905   0.218238    30  ASP   A N    
237  C CA   . ASP   A 18  ? 0.542879 0.488325 0.449855 0.0428195   0.0779596   0.223706    30  ASP   A CA   
238  C C    . ASP   A 18  ? 0.508216 0.493833 0.398883 0.0486057   0.0865893   0.207098    30  ASP   A C    
239  O O    . ASP   A 18  ? 0.485297 0.48307  0.397077 0.0341924   0.0926986   0.201601    30  ASP   A O    
240  C CB   . ASP   A 18  ? 0.519383 0.431082 0.462541 0.0257968   0.0705313   0.204125    30  ASP   A CB   
241  C CG   . ASP   A 18  ? 0.473579 0.376212 0.412083 0.0331536   0.0616034   0.164664    30  ASP   A CG   
242  O OD1  . ASP   A 18  ? 0.454106 0.378387 0.3668   0.0475835   0.0620353   0.152299    30  ASP   A OD1  
243  O OD2  . ASP   A 18  ? 0.509144 0.383946 0.47065  0.0246377   0.0543168   0.148007    30  ASP   A OD2  
244  H H    . ASP   A 18  ? 0.541341 0.463376 0.425931 0.0679246   0.0588977   0.194753    30  ASP   A H    
245  H HA   . ASP   A 18  ? 0.564485 0.515706 0.476902 0.0360438   0.08454     0.251977    30  ASP   A HA   
246  H HB2  . ASP   A 18  ? 0.513648 0.4358   0.472579 0.0121582   0.0764906   0.207419    30  ASP   A HB2  
247  H HB3  . ASP   A 18  ? 0.539553 0.424879 0.496776 0.0224519   0.0651678   0.214873    30  ASP   A HB3  
248  N N    . ARG   A 19  ? 0.522159 0.526784 0.37824  0.0705434   0.0844862   0.196039    31  ARG   A N    
249  C CA   . ARG   A 19  ? 0.528271 0.565519 0.36846  0.0813925   0.0892684   0.176056    31  ARG   A CA   
250  C C    . ARG   A 19  ? 0.486814 0.5133   0.347011 0.0731672   0.0842471   0.147319    31  ARG   A C    
251  O O    . ARG   A 19  ? 0.480466 0.532439 0.340082 0.0767475   0.0894805   0.136693    31  ARG   A O    
252  C CB   . ARG   A 19  ? 0.529344 0.612118 0.363916 0.0812133   0.107451    0.19879     31  ARG   A CB   
253  C CG   . ARG   A 19  ? 0.54838  0.653274 0.351615 0.0944197   0.113505    0.225687    31  ARG   A CG   
254  C CD   . ARG   A 19  ? 0.576769 0.733763 0.378542 0.0915057   0.135504    0.252482    31  ARG   A CD   
255  N NE   . ARG   A 19  ? 0.557551 0.749259 0.355832 0.102725    0.141897    0.225956    31  ARG   A NE   
256  C CZ   . ARG   A 19  ? 0.569334 0.783637 0.335642 0.128355    0.139759    0.200944    31  ARG   A CZ   
257  N NH1  . ARG   A 19  ? 0.607521 0.819603 0.337044 0.146336    0.131391    0.198052    31  ARG   A NH1  
258  N NH2  . ARG   A 19  ? 0.590464 0.832608 0.362065 0.137796    0.145164    0.178481    31  ARG   A NH2  
259  H H    . ARG   A 19  ? 0.538032 0.533996 0.38098  0.0799867   0.0784098   0.200398    31  ARG   A H    
260  H HA   . ARG   A 19  ? 0.523935 0.564692 0.341627 0.0971155   0.0834074   0.166142    31  ARG   A HA   
261  H HB2  . ARG   A 19  ? 0.528585 0.609476 0.387707 0.0644177   0.112944    0.212271    31  ARG   A HB2  
262  H HB3  . ARG   A 19  ? 0.515063 0.617717 0.343809 0.0891242   0.109881    0.182429    31  ARG   A HB3  
263  H HG2  . ARG   A 19  ? 0.557325 0.668546 0.335153 0.111929    0.107431    0.209834    31  ARG   A HG2  
264  H HG3  . ARG   A 19  ? 0.569986 0.651977 0.379285 0.08808     0.109104    0.24266     31  ARG   A HG3  
265  H HD2  . ARG   A 19  ? 0.604171 0.779038 0.3813   0.101258    0.139904    0.270163    31  ARG   A HD2  
266  H HD3  . ARG   A 19  ? 0.57614  0.726856 0.4058   0.0725683   0.140624    0.270568    31  ARG   A HD3  
267  H HE   . ARG   A 19  ? 0.545388 0.74268  0.367365 0.0915894   0.146603    0.225824    31  ARG   A HE   
268  H HH11 . ARG   A 19  ? 0.628385 0.851479 0.343992 0.147245    0.136373    0.221194    31  ARG   A HH11 
269  H HH12 . ARG   A 19  ? 0.595063 0.795361 0.314386 0.157307    0.120073    0.173574    31  ARG   A HH12 
270  H HH21 . ARG   A 19  ? 0.564315 0.813191 0.360506 0.126754    0.150782    0.181756    31  ARG   A HH21 
271  H HH22 . ARG   A 19  ? 0.584011 0.837666 0.335813 0.155686    0.142148    0.15959     31  ARG   A HH22 
272  N N    . GLY   A 20  ? 0.409138 0.400858 0.28546  0.0647319   0.0737388   0.13406     32  GLY   A N    
273  C CA   . GLY   A 20  ? 0.403873 0.38829  0.297124 0.0550366   0.0697576   0.111475    32  GLY   A CA   
274  C C    . GLY   A 20  ? 0.396916 0.38567  0.275449 0.0688221   0.0627803   0.0875917   32  GLY   A C    
275  O O    . GLY   A 20  ? 0.412359 0.405476 0.299438 0.0642925   0.06133     0.0741706   32  GLY   A O    
276  H H    . GLY   A 20  ? 0.440218 0.414362 0.316334 0.0660408   0.0689182   0.139225    32  GLY   A H    
277  H HA2  . GLY   A 20  ? 0.397634 0.396726 0.301296 0.0469361   0.0757841   0.116424    32  GLY   A HA2  
278  H HA3  . GLY   A 20  ? 0.399359 0.362018 0.305359 0.0470793   0.064999    0.107409    32  GLY   A HA3  
279  N N    . VAL   A 21  ? 0.414285 0.402744 0.271785 0.0856991   0.0570117   0.083668    33  VAL   A N    
280  C CA   . VAL   A 21  ? 0.410895 0.399927 0.259104 0.0977379   0.0477561   0.0609458   33  VAL   A CA   
281  C C    . VAL   A 21  ? 0.416878 0.425279 0.237171 0.118006    0.0466176   0.0619727   33  VAL   A C    
282  O O    . VAL   A 21  ? 0.428878 0.433662 0.236398 0.124725    0.0427355   0.0714019   33  VAL   A O    
283  C CB   . VAL   A 21  ? 0.394977 0.36101  0.252527 0.0956628   0.0364418   0.0460239   33  VAL   A CB   
284  C CG1  . VAL   A 21  ? 0.378157 0.346473 0.231969 0.105063    0.0267366   0.0253593   33  VAL   A CG1  
285  C CG2  . VAL   A 21  ? 0.390524 0.341116 0.270813 0.0777751   0.0383909   0.0439067   33  VAL   A CG2  
286  H H    . VAL   A 21  ? 0.430613 0.418135 0.280663 0.0893219   0.0577959   0.0961965   33  VAL   A H    
287  H HA   . VAL   A 21  ? 0.393469 0.389671 0.247582 0.0952798   0.0495719   0.0544331   33  VAL   A HA   
288  H HB   . VAL   A 21  ? 0.40865  0.369591 0.260323 0.101136    0.0331502   0.0513608   33  VAL   A HB   
289  H HG11 . VAL   A 21  ? 0.374499 0.349606 0.230983 0.103644    0.0293784   0.022242    33  VAL   A HG11 
290  H HG12 . VAL   A 21  ? 0.395212 0.370008 0.234707 0.117309    0.0224757   0.022981    33  VAL   A HG12 
291  H HG13 . VAL   A 21  ? 0.372253 0.329489 0.236939 0.100328    0.021509    0.0176462   33  VAL   A HG13 
292  H HG21 . VAL   A 21  ? 0.382205 0.323606 0.267832 0.0780748   0.0327651   0.0342366   33  VAL   A HG21 
293  H HG22 . VAL   A 21  ? 0.39594  0.341124 0.281059 0.0724952   0.0421075   0.0550207   33  VAL   A HG22 
294  H HG23 . VAL   A 21  ? 0.376635 0.333581 0.26182  0.0719069   0.0410264   0.0407654   33  VAL   A HG23 
295  N N    . LEU   A 22  ? 0.398939 0.429644 0.210371 0.12875     0.0496122   0.0517671   34  LEU   A N    
296  C CA   . LEU   A 22  ? 0.418031 0.473145 0.200764 0.150549    0.0490005   0.0459328   34  LEU   A CA   
297  C C    . LEU   A 22  ? 0.445885 0.493698 0.226738 0.163346    0.0341751   0.0147397   34  LEU   A C    
298  O O    . LEU   A 22  ? 0.405929 0.443789 0.207444 0.157502    0.0316522   0.00304285  34  LEU   A O    
299  C CB   . LEU   A 22  ? 0.46381  0.553876 0.242841 0.153537    0.0659098   0.0582047   34  LEU   A CB   
300  C CG   . LEU   A 22  ? 0.465941 0.567188 0.25223  0.138545    0.0812174   0.0921479   34  LEU   A CG   
301  C CD1  . LEU   A 22  ? 0.475562 0.617429 0.266089 0.140594    0.0978877   0.100891    34  LEU   A CD1  
302  C CD2  . LEU   A 22  ? 0.476615 0.580884 0.238183 0.14446     0.0816115   0.114132    34  LEU   A CD2  
303  H H    . LEU   A 22  ? 0.388486 0.419905 0.212685 0.123076    0.0516285   0.0471122   34  LEU   A H    
304  H HA   . LEU   A 22  ? 0.446383 0.501373 0.215571 0.154488    0.0470415   0.0552387   34  LEU   A HA   
305  H HB2  . LEU   A 22  ? 0.438453 0.528327 0.232763 0.150543    0.0663055   0.0488577   34  LEU   A HB2  
306  H HB3  . LEU   A 22  ? 0.473061 0.583101 0.231106 0.169976    0.0663248   0.0515125   34  LEU   A HB3  
307  H HG   . LEU   A 22  ? 0.447005 0.527257 0.254188 0.122852    0.079323    0.0956298   34  LEU   A HG   
308  H HD11 . LEU   A 22  ? 0.455529 0.594708 0.263342 0.136882    0.0963074   0.089457    34  LEU   A HD11 
309  H HD12 . LEU   A 22  ? 0.480234 0.629553 0.278845 0.129018    0.107257    0.123944    34  LEU   A HD12 
310  H HD13 . LEU   A 22  ? 0.49196  0.657148 0.261323 0.157544    0.100565    0.0949328   34  LEU   A HD13 
311  H HD21 . LEU   A 22  ? 0.478105 0.556738 0.242557 0.142121    0.0709548   0.1099      34  LEU   A HD21 
312  H HD22 . LEU   A 22  ? 0.500932 0.626669 0.238212 0.160917    0.0818488   0.108502    34  LEU   A HD22 
313  H HD23 . LEU   A 22  ? 0.490589 0.602065 0.259331 0.134332    0.0916672   0.137923    34  LEU   A HD23 
314  N N    . LYS   A 23  ? 0.433817 0.486899 0.191608 0.180296    0.0231487   0.00238761  35  LYS   A N    
315  C CA   . LYS   A 23  ? 0.454855 0.495174 0.216281 0.189725    0.00463529  -0.0282611  35  LYS   A CA   
316  C C    . LYS   A 23  ? 0.517001 0.581595 0.24865  0.215197    -0.00158458 -0.0483176  35  LYS   A C    
317  O O    . LYS   A 23  ? 0.532627 0.620261 0.232699 0.226673    0.00123264  -0.0380841  35  LYS   A O    
318  C CB   . LYS   A 23  ? 0.506666 0.526908 0.274651 0.184673    -0.0101768  -0.0312511  35  LYS   A CB   
319  C CG   . LYS   A 23  ? 0.506792 0.513077 0.287237 0.189704    -0.0314074  -0.0614094  35  LYS   A CG   
320  C CD   . LYS   A 23  ? 0.513309 0.509274 0.302827 0.186881    -0.0469188  -0.0660196  35  LYS   A CD   
321  C CE   . LYS   A 23  ? 0.538803 0.5205   0.352788 0.185284    -0.066805   -0.0931892  35  LYS   A CE   
322  N NZ   . LYS   A 23  ? 0.517568 0.500213 0.337872 0.187021    -0.0836676  -0.100034   35  LYS   A NZ   
323  H H    . LYS   A 23  ? 0.463326 0.529007 0.203098 0.185817    0.0264598   0.0141319   35  LYS   A H    
324  H HA   . LYS   A 23  ? 0.449777 0.479459 0.230438 0.1836      0.00378819  -0.0357932  35  LYS   A HA   
325  H HB2  . LYS   A 23  ? 0.472538 0.479085 0.258264 0.169965    -0.00595818 -0.0203351  35  LYS   A HB2  
326  H HB3  . LYS   A 23  ? 0.509534 0.540582 0.258219 0.192066    -0.01053    -0.0226445  35  LYS   A HB3  
327  H HG2  . LYS   A 23  ? 0.529647 0.548054 0.294006 0.20472     -0.0363953  -0.0760278  35  LYS   A HG2  
328  H HG3  . LYS   A 23  ? 0.492533 0.485975 0.29409  0.180541    -0.0309959  -0.0656566  35  LYS   A HG3  
329  H HD2  . LYS   A 23  ? 0.500091 0.487159 0.303189 0.17448     -0.0407528  -0.0517948  35  LYS   A HD2  
330  H HD3  . LYS   A 23  ? 0.538839 0.548124 0.306191 0.198384    -0.0505629  -0.0638951  35  LYS   A HD3  
331  H HE2  . LYS   A 23  ? 0.542958 0.529119 0.347878 0.196526    -0.0728013  -0.109566   35  LYS   A HE2  
332  H HE3  . LYS   A 23  ? 0.505996 0.474298 0.343379 0.171768    -0.0632352  -0.0902789  35  LYS   A HE3  
333  H HZ1  . LYS   A 23  ? 0.544487 0.540435 0.341381 0.198806    -0.0861338  -0.0980332  35  LYS   A HZ1  
334  H HZ2  . LYS   A 23  ? 0.509244 0.485799 0.344854 0.176263    -0.079269   -0.0886417  35  LYS   A HZ2  
335  H HZ3  . LYS   A 23  ? 0.532102 0.509415 0.365878 0.187338    -0.0967004  -0.117788   35  LYS   A HZ3  
336  N N    . ILE   A 24  ? 0.518986 0.57776  0.260739 0.224858    -0.0115717  -0.0774834  36  ILE   A N    
337  C CA   . ILE   A 24  ? 0.567067 0.641086 0.285727 0.250424    -0.0246099  -0.108881   36  ILE   A CA   
338  C C    . ILE   A 24  ? 0.593463 0.635327 0.336598 0.24852     -0.0497833  -0.13796    36  ILE   A C    
339  O O    . ILE   A 24  ? 0.58084  0.595746 0.359232 0.235634    -0.0535947  -0.141316   36  ILE   A O    
340  C CB   . ILE   A 24  ? 0.592047 0.693234 0.30083  0.269488    -0.014269   -0.122211   36  ILE   A CB   
341  C CG1  . ILE   A 24  ? 0.620386 0.758806 0.309822 0.268806    0.0115503   -0.0907394  36  ILE   A CG1  
342  C CG2  . ILE   A 24  ? 0.64813  0.763094 0.333531 0.298479    -0.0306676  -0.163101   36  ILE   A CG2  
343  C CD1  . ILE   A 24  ? 0.662434 0.83845  0.343854 0.288327    0.0254666   -0.101333   36  ILE   A CD1  
344  H H    . ILE   A 24  ? 0.503574 0.547709 0.267966 0.215657    -0.0111921  -0.0785388  36  ILE   A H    
345  H HA   . ILE   A 24  ? 0.587865 0.677407 0.281693 0.257464    -0.0252196  -0.103445   36  ILE   A HA   
346  H HB   . ILE   A 24  ? 0.58126  0.666519 0.31599  0.262939    -0.0144763  -0.125572   36  ILE   A HB   
347  H HG12 . ILE   A 24  ? 0.635751 0.788078 0.300202 0.273185    0.0121236   -0.0818394  36  ILE   A HG12 
348  H HG13 . ILE   A 24  ? 0.592241 0.718489 0.300693 0.250354    0.0191247   -0.0697561  36  ILE   A HG13 
349  H HG21 . ILE   A 24  ? 0.657091 0.789359 0.339488 0.311718    -0.023496   -0.173482   36  ILE   A HG21 
350  H HG22 . ILE   A 24  ? 0.664581 0.798895 0.320929 0.306322    -0.0311279  -0.159938   36  ILE   A HG22 
351  H HG23 . ILE   A 24  ? 0.644607 0.732775 0.348344 0.296028    -0.0483418  -0.182119   36  ILE   A HG23 
352  H HD11 . ILE   A 24  ? 0.644059 0.804869 0.3499   0.287913    0.0210565   -0.11437    36  ILE   A HD11 
353  H HD12 . ILE   A 24  ? 0.650607 0.848595 0.329017 0.282218    0.0430475   -0.0767677  36  ILE   A HD12 
354  H HD13 . ILE   A 24  ? 0.685945 0.881409 0.34208  0.308027    0.0210811   -0.119841   36  ILE   A HD13 
355  N N    . VAL   A 25  ? 0.583088 0.629392 0.308843 0.260232    -0.0682334  -0.156951   37  VAL   A N    
356  C CA   . VAL   A 25  ? 0.567786 0.588202 0.318969 0.259433    -0.0943334  -0.187835   37  VAL   A CA   
357  C C    . VAL   A 25  ? 0.612834 0.633977 0.363584 0.280023    -0.10276    -0.223226   37  VAL   A C    
358  O O    . VAL   A 25  ? 0.621913 0.673766 0.335159 0.305555    -0.103556   -0.242327   37  VAL   A O    
359  C CB   . VAL   A 25  ? 0.620666 0.649336 0.356235 0.265993    -0.114147   -0.19932    37  VAL   A CB   
360  C CG1  . VAL   A 25  ? 0.638189 0.643879 0.40355  0.265815    -0.143613   -0.23596    37  VAL   A CG1  
361  C CG2  . VAL   A 25  ? 0.590407 0.616181 0.332495 0.248534    -0.10825    -0.166928   37  VAL   A CG2  
362  H H    . VAL   A 25  ? 0.600899 0.667533 0.299718 0.268275    -0.0651903  -0.14957    37  VAL   A H    
363  H HA   . VAL   A 25  ? 0.555568 0.553637 0.336929 0.241891    -0.0945223  -0.179159   37  VAL   A HA   
364  H HB   . VAL   A 25  ? 0.641009 0.695124 0.342118 0.283673    -0.112701   -0.204951   37  VAL   A HB   
365  H HG11 . VAL   A 25  ? 0.617044 0.599219 0.415832 0.250863    -0.143131   -0.23225    37  VAL   A HG11 
366  H HG12 . VAL   A 25  ? 0.666752 0.679352 0.41893  0.282831    -0.151518   -0.261238   37  VAL   A HG12 
367  H HG13 . VAL   A 25  ? 0.642037 0.650629 0.407837 0.263643    -0.155625   -0.237738   37  VAL   A HG13 
368  H HG21 . VAL   A 25  ? 0.607409 0.640156 0.341263 0.254387    -0.122276   -0.174684   37  VAL   A HG21 
369  H HG22 . VAL   A 25  ? 0.586749 0.625335 0.310966 0.248891    -0.0916181  -0.144595   37  VAL   A HG22 
370  H HG23 . VAL   A 25  ? 0.566424 0.571603 0.340094 0.231782    -0.107648   -0.161268   37  VAL   A HG23 
371  N N    . LYS   A 26  ? 0.578463 0.566113 0.370857 0.270804    -0.111799   -0.23445    38  LYS   A N    
372  C CA   . LYS   A 26  ? 0.604816 0.587617 0.403008 0.291769    -0.121439   -0.268627   38  LYS   A CA   
373  C C    . LYS   A 26  ? 0.645031 0.602335 0.463641 0.296392    -0.153896   -0.307471   38  LYS   A C    
374  O O    . LYS   A 26  ? 0.678876 0.638449 0.490979 0.320501    -0.166207   -0.344984   38  LYS   A O    
375  C CB   . LYS   A 26  ? 0.607389 0.568815 0.440198 0.283284    -0.112984   -0.257151   38  LYS   A CB   
376  C CG   . LYS   A 26  ? 0.59017  0.580069 0.407034 0.280013    -0.0828865  -0.22353    38  LYS   A CG   
377  C CD   . LYS   A 26  ? 0.619869 0.658834 0.394401 0.304631    -0.0658243  -0.227445   38  LYS   A CD   
378  C CE   . LYS   A 26  ? 0.627672 0.678824 0.404523 0.330769    -0.0661708  -0.255413   38  LYS   A CE   
379  N NZ   . LYS   A 26  ? 0.659176 0.764514 0.397214 0.357036    -0.0488087  -0.262963   38  LYS   A NZ   
380  H H    . LYS   A 26  ? 0.559267 0.527555 0.376785 0.252237    -0.111976   -0.220453   38  LYS   A H    
381  H HA   . LYS   A 26  ? 0.631561 0.643728 0.398349 0.310694    -0.113588   -0.276118   38  LYS   A HA   
382  H HB2  . LYS   A 26  ? 0.586378 0.521768 0.447705 0.264109    -0.119221   -0.246738   38  LYS   A HB2  
383  H HB3  . LYS   A 26  ? 0.629444 0.584856 0.469427 0.299031    -0.121922   -0.282036   38  LYS   A HB3  
384  H HG2  . LYS   A 26  ? 0.565038 0.55421  0.38077  0.262863    -0.075954   -0.199921   38  LYS   A HG2  
385  H HG3  . LYS   A 26  ? 0.579405 0.55648  0.419438 0.275835    -0.0804079  -0.218418   38  LYS   A HG3  
386  H HD2  . LYS   A 26  ? 0.63072  0.68258  0.380313 0.312313    -0.0712741  -0.236178   38  LYS   A HD2  
387  H HD3  . LYS   A 26  ? 0.590971 0.644929 0.36     0.294893    -0.0478906  -0.199761   38  LYS   A HD3  
388  H HE2  . LYS   A 26  ? 0.615414 0.655278 0.417271 0.323328    -0.0610461  -0.24413    38  LYS   A HE2  
389  H HE3  . LYS   A 26  ? 0.656283 0.687217 0.44297  0.339062    -0.0857045  -0.283724   38  LYS   A HE3  
390  H HZ1  . LYS   A 26  ? 0.638812 0.763556 0.370449 0.34857     -0.030761   -0.235915   38  LYS   A HZ1  
391  H HZ2  . LYS   A 26  ? 0.679594 0.797513 0.391719 0.366266    -0.0545134  -0.274934   38  LYS   A HZ2  
392  H HZ3  . LYS   A 26  ? 0.674366 0.78344  0.421162 0.373003    -0.050384   -0.282576   38  LYS   A HZ3  
393  N N    . ARG   A 27  ? 0.627266 0.559873 0.476624 0.273214    -0.168002   -0.30044    39  ARG   A N    
394  C CA   . ARG   A 27  ? 0.696469 0.611346 0.565968 0.275519    -0.200525   -0.336626   39  ARG   A CA   
395  C C    . ARG   A 27  ? 0.689775 0.61241  0.562648 0.257822    -0.2064     -0.320721   39  ARG   A C    
396  O O    . ARG   A 27  ? 0.65936  0.573722 0.55423  0.233318    -0.193521   -0.286718   39  ARG   A O    
397  C CB   . ARG   A 27  ? 0.69817  0.566164 0.62623  0.261106    -0.215912   -0.3451     39  ARG   A CB   
398  C CG   . ARG   A 27  ? 0.753651 0.597942 0.71353  0.260666    -0.252132   -0.384148   39  ARG   A CG   
399  C CD   . ARG   A 27  ? 0.810301 0.605403 0.83379  0.240686    -0.263935   -0.379869   39  ARG   A CD   
400  N NE   . ARG   A 27  ? 0.791853 0.576787 0.850449 0.205107    -0.255987   -0.33951    39  ARG   A NE   
401  C CZ   . ARG   A 27  ? 0.796679 0.547308 0.90607  0.181925    -0.258712   -0.319533   39  ARG   A CZ   
402  N NH1  . ARG   A 27  ? 0.801526 0.514339 0.943285 0.188281    -0.275529   -0.337654   39  ARG   A NH1  
403  N NH2  . ARG   A 27  ? 0.818992 0.57469  0.946584 0.153328    -0.24459    -0.28075    39  ARG   A NH2  
404  H H    . ARG   A 27  ? 0.604428 0.532465 0.464661 0.255305    -0.157548   -0.273518   39  ARG   A H    
405  H HA   . ARG   A 27  ? 0.724309 0.654547 0.568695 0.297591    -0.208737   -0.364191   39  ARG   A HA   
406  H HB2  . ARG   A 27  ? 0.712378 0.575359 0.640009 0.272847    -0.210978   -0.351626   39  ARG   A HB2  
407  H HB3  . ARG   A 27  ? 0.670754 0.528555 0.619716 0.239505    -0.206978   -0.316661   39  ARG   A HB3  
408  H HG2  . ARG   A 27  ? 0.753145 0.606501 0.714256 0.250387    -0.258008   -0.379216   39  ARG   A HG2  
409  H HG3  . ARG   A 27  ? 0.796802 0.648988 0.737274 0.283301    -0.262684   -0.416449   39  ARG   A HG3  
410  H HD2  . ARG   A 27  ? 0.83597  0.613381 0.880048 0.245152    -0.2881     -0.41051    39  ARG   A HD2  
411  H HD3  . ARG   A 27  ? 0.800721 0.588759 0.823021 0.248567    -0.254006   -0.375135   39  ARG   A HD3  
412  H HE   . ARG   A 27  ? 0.769185 0.574184 0.813617 0.19914     -0.248466   -0.326863   39  ARG   A HE   
413  H HH11 . ARG   A 27  ? 0.844054 0.545455 0.994662 0.198591    -0.295501   -0.368947   39  ARG   A HH11 
414  H HH12 . ARG   A 27  ? 0.802894 0.501651 0.957869 0.182719    -0.267625   -0.31878    39  ARG   A HH12 
415  H HH21 . ARG   A 27  ? 0.770252 0.548121 0.873328 0.152022    -0.227222   -0.263314   39  ARG   A HH21 
416  H HH22 . ARG   A 27  ? 0.801621 0.539217 0.966506 0.135782    -0.252488   -0.272642   39  ARG   A HH22 
417  N N    . VAL   A 28  ? 0.708316 0.649432 0.559976 0.27206     -0.227095   -0.347557   40  VAL   A N    
418  C CA   . VAL   A 28  ? 0.72511  0.680065 0.577775 0.260697    -0.234403   -0.334229   40  VAL   A CA   
419  C C    . VAL   A 28  ? 0.715209 0.640476 0.632067 0.233614    -0.252025   -0.336161   40  VAL   A C    
420  O O    . VAL   A 28  ? 0.757853 0.654854 0.711691 0.230139    -0.272312   -0.363126   40  VAL   A O    
421  C CB   . VAL   A 28  ? 0.801041 0.788551 0.610612 0.285812    -0.25411    -0.36253    40  VAL   A CB   
422  C CG1  . VAL   A 28  ? 0.825645 0.824563 0.647996 0.274666    -0.269313   -0.353868   40  VAL   A CG1  
423  C CG2  . VAL   A 28  ? 0.80001  0.824849 0.54471  0.308859    -0.23158    -0.348698   40  VAL   A CG2  
424  H H    . VAL   A 28  ? 0.752132 0.698893 0.588485 0.29053     -0.237779   -0.376028   40  VAL   A H    
425  H HA   . VAL   A 28  ? 0.697078 0.661911 0.5377   0.254274    -0.214592   -0.303761   40  VAL   A HA   
426  H HB   . VAL   A 28  ? 0.82942  0.807979 0.64692  0.295053    -0.273106   -0.396754   40  VAL   A HB   
427  H HG11 . VAL   A 28  ? 0.779235 0.775678 0.612364 0.260186    -0.253187   -0.322819   40  VAL   A HG11 
428  H HG12 . VAL   A 28  ? 0.823342 0.807338 0.681277 0.266045    -0.289847   -0.373553   40  VAL   A HG12 
429  H HG13 . VAL   A 28  ? 0.838268 0.863396 0.62365  0.291223    -0.275135   -0.359861   40  VAL   A HG13 
430  H HG21 . VAL   A 28  ? 0.836402 0.883907 0.551423 0.325341    -0.244425   -0.365978   40  VAL   A HG21 
431  H HG22 . VAL   A 28  ? 0.808923 0.830496 0.548431 0.316811    -0.221993   -0.355584   40  VAL   A HG22 
432  H HG23 . VAL   A 28  ? 0.775625 0.806394 0.515092 0.299205    -0.21424    -0.315316   40  VAL   A HG23 
433  N N    . GLY   A 29  ? 0.647543 0.579927 0.581285 0.21423     -0.244364   -0.307129   41  GLY   A N    
434  C CA   . GLY   A 29  ? 0.648095 0.563037 0.643003 0.187648    -0.257307   -0.304737   41  GLY   A CA   
435  C C    . GLY   A 29  ? 0.707028 0.639824 0.713853 0.190203    -0.286369   -0.327712   41  GLY   A C    
436  O O    . GLY   A 29  ? 0.755377 0.707666 0.723113 0.214399    -0.301898   -0.353178   41  GLY   A O    
437  H H    . GLY   A 29  ? 0.645139 0.594702 0.553592 0.217636    -0.230371   -0.288001   41  GLY   A H    
438  H HA2  . GLY   A 29  ? 0.662499 0.553702 0.683877 0.1816      -0.264449   -0.315166   41  GLY   A HA2  
439  H HA3  . GLY   A 29  ? 0.620175 0.536795 0.624994 0.173443    -0.240088   -0.27676    41  GLY   A HA3  
440  N N    . ASN   A 30  ? 0.676951 0.606562 0.739542 0.164917    -0.293681   -0.318462   42  ASN   A N    
441  C CA   . ASN   A 30  ? 0.749491 0.693065 0.843437 0.161318    -0.324941   -0.342065   42  ASN   A CA   
442  C C    . ASN   A 30  ? 0.705302 0.679855 0.805541 0.155025    -0.316483   -0.316963   42  ASN   A C    
443  O O    . ASN   A 30  ? 0.676853 0.650634 0.789021 0.139971    -0.289061   -0.282788   42  ASN   A O    
444  C CB   . ASN   A 30  ? 0.814525 0.733117 0.982247 0.133982    -0.341571   -0.350716   42  ASN   A CB   
445  C CG   . ASN   A 30  ? 0.91214  0.79065  1.08823  0.130253    -0.335031   -0.351942   42  ASN   A CG   
446  O OD1  . ASN   A 30  ? 0.944795 0.808997 1.13838  0.112152    -0.310846   -0.318477   42  ASN   A OD1  
447  N ND2  . ASN   A 30  ? 0.905565 0.768557 1.06446  0.150686    -0.356088   -0.391003   42  ASN   A ND2  
448  H H    . ASN   A 30  ? 0.664497 0.585822 0.746927 0.149059    -0.277816   -0.295753   42  ASN   A H    
449  H HA   . ASN   A 30  ? 0.777642 0.728665 0.845722 0.179857    -0.342124   -0.368431   42  ASN   A HA   
450  H HB2  . ASN   A 30  ? 0.790293 0.716361 0.987508 0.115776    -0.331053   -0.32781    42  ASN   A HB2  
451  H HB3  . ASN   A 30  ? 0.846456 0.768853 1.02977  0.136761    -0.368125   -0.377994   42  ASN   A HB3  
452  H HD21 . ASN   A 30  ? 0.932655 0.769549 1.10636  0.148455    -0.358087   -0.396542   42  ASN   A HD21 
453  H HD22 . ASN   A 30  ? 0.940887 0.820287 1.07316  0.167559    -0.368496   -0.412176   42  ASN   A HD22 
454  N N    . GLY   A 31  ? 0.719159 0.72118  0.812544 0.168001    -0.341909   -0.336528   43  GLY   A N    
455  C CA   . GLY   A 31  ? 0.730365 0.76334  0.83787  0.165106    -0.34077    -0.317849   43  GLY   A CA   
456  C C    . GLY   A 31  ? 0.742827 0.787215 0.798533 0.179837    -0.313084   -0.28561    43  GLY   A C    
457  O O    . GLY   A 31  ? 0.746304 0.777657 0.755764 0.190477    -0.294758   -0.277622   43  GLY   A O    
458  H H    . GLY   A 31  ? 0.761132 0.76356  0.84087  0.18025     -0.361543   -0.363424   43  GLY   A H    
459  H HA2  . GLY   A 31  ? 0.753986 0.804207 0.863001 0.173785    -0.365301   -0.337742   43  GLY   A HA2  
460  H HA3  . GLY   A 31  ? 0.707635 0.738355 0.861314 0.144585    -0.335149   -0.306764   43  GLY   A HA3  
461  N N    . GLU   A 32  ? 0.694689 0.763662 0.763036 0.180598    -0.311696   -0.268087   44  GLU   A N    
462  C CA   . GLU   A 32  ? 0.684695 0.762214 0.708756 0.195969    -0.291514   -0.238956   44  GLU   A CA   
463  C C    . GLU   A 32  ? 0.613079 0.67707  0.657648 0.178334    -0.257665   -0.208566   44  GLU   A C    
464  O O    . GLU   A 32  ? 0.606598 0.661958 0.613383 0.185567    -0.235281   -0.186423   44  GLU   A O    
465  C CB   . GLU   A 32  ? 0.718428 0.827929 0.73323  0.214696    -0.31429    -0.240741   44  GLU   A CB   
466  H H    . GLU   A 32  ? 0.699379 0.7798   0.807599 0.171407    -0.324103   -0.27425    44  GLU   A H    
467  H HA   . GLU   A 32  ? 0.696265 0.76697  0.677303 0.207837    -0.286402   -0.239789   44  GLU   A HA   
470  N N    . GLU   A 33  ? 0.561143 0.624062 0.664383 0.154322    -0.253588   -0.208125   45  GLU   A N    
471  C CA   . GLU   A 33  ? 0.552274 0.613641 0.676767 0.139852    -0.224645   -0.18259    45  GLU   A CA   
472  C C    . GLU   A 33  ? 0.520739 0.554964 0.611821 0.135817    -0.198219   -0.167362   45  GLU   A C    
473  O O    . GLU   A 33  ? 0.510519 0.524701 0.593691 0.130895    -0.199554   -0.176497   45  GLU   A O    
474  C CB   . GLU   A 33  ? 0.571973 0.64492  0.764374 0.114305    -0.224179   -0.18401    45  GLU   A CB   
475  C CG   . GLU   A 33  ? 0.67335  0.781075 0.913067 0.11423     -0.245496   -0.194909   45  GLU   A CG   
476  C CD   . GLU   A 33  ? 0.716762 0.855179 1.00516  0.104932    -0.231141   -0.181423   45  GLU   A CD   
477  O OE1  . GLU   A 33  ? 0.592054 0.730961 0.863218 0.112484    -0.208235   -0.163948   45  GLU   A OE1  
478  O OE2  . GLU   A 33  ? 0.810007 0.977224 1.15703  0.0929487   -0.245501   -0.190911   45  GLU   A OE2  
479  H H    . GLU   A 33  ? 0.584459 0.649161 0.715513 0.1466      -0.269491   -0.224529   45  GLU   A H    
480  H HA   . GLU   A 33  ? 0.546923 0.620271 0.663753 0.150038    -0.221813   -0.172867   45  GLU   A HA   
481  H HB2  . GLU   A 33  ? 0.589439 0.648836 0.792767 0.10404     -0.230047   -0.192828   45  GLU   A HB2  
482  H HB3  . GLU   A 33  ? 0.560522 0.632794 0.759059 0.106118    -0.202794   -0.167851   45  GLU   A HB3  
483  H HG2  . GLU   A 33  ? 0.678872 0.793423 0.893884 0.132497    -0.258988   -0.200791   45  GLU   A HG2  
484  H HG3  . GLU   A 33  ? 0.675922 0.783476 0.942258 0.104038    -0.261272   -0.209313   45  GLU   A HG3  
485  N N    . THR   A 34  ? 0.498941 0.531847 0.575114 0.137441    -0.174384   -0.144523   46  THR   A N    
486  C CA   . THR   A 34  ? 0.459599 0.472112 0.518558 0.127937    -0.148733   -0.129236   46  THR   A CA   
487  C C    . THR   A 34  ? 0.443671 0.464972 0.536337 0.11243     -0.130113   -0.11616    46  THR   A C    
488  O O    . THR   A 34  ? 0.461289 0.50354  0.580774 0.115121    -0.134926   -0.117513   46  THR   A O    
489  C CB   . THR   A 34  ? 0.457715 0.461085 0.464922 0.14384     -0.137714   -0.116098   46  THR   A CB   
490  O OG1  . THR   A 34  ? 0.448831 0.464811 0.459755 0.153451    -0.138504   -0.106392   46  THR   A OG1  
491  C CG2  . THR   A 34  ? 0.512685 0.516843 0.482198 0.161893    -0.153837   -0.128891   46  THR   A CG2  
492  H H    . THR   A 34  ? 0.494639 0.539249 0.573006 0.144836    -0.175372   -0.139186   46  THR   A H    
493  H HA   . THR   A 34  ? 0.46673  0.468577 0.529714 0.1208      -0.151463   -0.136241   46  THR   A HA   
494  H HB   . THR   A 34  ? 0.448133 0.440596 0.448026 0.1367      -0.121067   -0.105841   46  THR   A HB   
496  H HG21 . THR   A 34  ? 0.509657 0.51077  0.448211 0.169898    -0.143965   -0.117337   46  THR   A HG21 
497  H HG22 . THR   A 34  ? 0.520136 0.537259 0.492557 0.170547    -0.170133   -0.137006   46  THR   A HG22 
498  H HG23 . THR   A 34  ? 0.509107 0.505489 0.483019 0.157351    -0.158193   -0.140824   46  THR   A HG23 
499  N N    . PRO   A 35  ? 0.386685 0.397439 0.482901 0.0963895   -0.110467   -0.105567   47  PRO   A N    
500  C CA   . PRO   A 35  ? 0.385427 0.412139 0.514377 0.081347    -0.0939525  -0.0967383  47  PRO   A CA   
501  C C    . PRO   A 35  ? 0.355724 0.389643 0.475655 0.0918361   -0.0809487  -0.0894993  47  PRO   A C    
502  O O    . PRO   A 35  ? 0.401942 0.419231 0.485421 0.103973    -0.0767955  -0.082946   47  PRO   A O    
503  C CB   . PRO   A 35  ? 0.34542  0.357829 0.466772 0.0653787   -0.0772957  -0.085411   47  PRO   A CB   
504  C CG   . PRO   A 35  ? 0.364853 0.353186 0.449714 0.0752297   -0.0836198  -0.0881164  47  PRO   A CG   
505  C CD   . PRO   A 35  ? 0.390844 0.379308 0.465547 0.0917382   -0.105591   -0.103548   47  PRO   A CD   
506  H HA   . PRO   A 35  ? 0.373485 0.415411 0.535211 0.0746274   -0.102001   -0.102539   47  PRO   A HA   
507  H HB2  . PRO   A 35  ? 0.344508 0.360211 0.459241 0.0633897   -0.0619049  -0.0772684  47  PRO   A HB2  
508  H HB3  . PRO   A 35  ? 0.353505 0.371119 0.501226 0.0519889   -0.0792717  -0.0850351  47  PRO   A HB3  
509  H HG2  . PRO   A 35  ? 0.359254 0.341782 0.419805 0.080268    -0.072584   -0.0805313  47  PRO   A HG2  
510  H HG3  . PRO   A 35  ? 0.36547  0.344444 0.456414 0.0660333   -0.0838524  -0.0868747  47  PRO   A HG3  
511  H HD2  . PRO   A 35  ? 0.395928 0.376765 0.438677 0.103545    -0.104244   -0.102085   47  PRO   A HD2  
512  H HD3  . PRO   A 35  ? 0.399277 0.383412 0.487496 0.0878742   -0.118165   -0.113585   47  PRO   A HD3  
513  N N    . MET   A 36  ? 0.375192 0.433759 0.53115  0.0851047   -0.0724532  -0.089828   48  MET   A N    
514  C CA   . MET   A 36  ? 0.36012  0.426898 0.518173 0.0959055   -0.061391   -0.0878935  48  MET   A CA   
515  C C    . MET   A 36  ? 0.357648 0.424406 0.510652 0.0830883   -0.0369113  -0.0813685  48  MET   A C    
516  O O    . MET   A 36  ? 0.319172 0.394402 0.483124 0.0648175   -0.0294571  -0.0773216  48  MET   A O    
517  C CB   . MET   A 36  ? 0.379032 0.481502 0.584919 0.0991695   -0.0666742  -0.0966409  48  MET   A CB   
518  C CG   . MET   A 36  ? 0.433631 0.545775 0.65256  0.113706    -0.0936743  -0.105105   48  MET   A CG   
519  S SD   . MET   A 36  ? 0.448007 0.5347   0.62373  0.141054    -0.104093   -0.0983941  48  MET   A SD   
520  C CE   . MET   A 36  ? 0.52651  0.626274 0.705052 0.153138    -0.138411   -0.108483   48  MET   A CE   
521  H H    . MET   A 36  ? 0.361619 0.433308 0.544146 0.0735262   -0.0735859  -0.0917772  48  MET   A H    
522  H HA   . MET   A 36  ? 0.376586 0.428195 0.510822 0.108934    -0.065932   -0.085283   48  MET   A HA   
523  H HB2  . MET   A 36  ? 0.375332 0.494397 0.604899 0.0845077   -0.0613076  -0.096951   48  MET   A HB2  
524  H HB3  . MET   A 36  ? 0.381256 0.488449 0.590312 0.10601     -0.0568515  -0.0966432  48  MET   A HB3  
525  H HG2  . MET   A 36  ? 0.426723 0.535151 0.644695 0.107253    -0.104795   -0.108614   48  MET   A HG2  
526  H HG3  . MET   A 36  ? 0.420439 0.558625 0.674142 0.11463     -0.0952919  -0.110237   48  MET   A HG3  
527  H HE1  . MET   A 36  ? 0.526998 0.617978 0.681827 0.168635    -0.145966   -0.102678   48  MET   A HE1  
528  H HE2  . MET   A 36  ? 0.512778 0.605587 0.680863 0.145055    -0.143225   -0.112913   48  MET   A HE2  
529  H HE3  . MET   A 36  ? 0.509441 0.633547 0.724476 0.152636    -0.145444   -0.115754   48  MET   A HE3  
530  N N    . ILE   A 37  ? 0.345557 0.40677  0.488137 0.0926029   -0.025761   -0.0811428  49  ILE   A N    
531  C CA   . ILE   A 37  ? 0.305976 0.375025 0.447268 0.0824609   -0.00424135 -0.0807345  49  ILE   A CA   
532  C C    . ILE   A 37  ? 0.277296 0.387011 0.455243 0.0698112   0.00612325  -0.0842975  49  ILE   A C    
533  O O    . ILE   A 37  ? 0.267259 0.404323 0.480365 0.0761493   0.00240599  -0.0922926  49  ILE   A O    
534  C CB   . ILE   A 37  ? 0.349413 0.405536 0.481277 0.0962274   0.00261594  -0.0855183  49  ILE   A CB   
535  C CG1  . ILE   A 37  ? 0.408379 0.427507 0.505691 0.102562    -0.00348872 -0.0760192  49  ILE   A CG1  
536  C CG2  . ILE   A 37  ? 0.357804 0.428599 0.489287 0.086492    0.0232476   -0.0912103  49  ILE   A CG2  
537  C CD1  . ILE   A 37  ? 0.45152  0.451493 0.54321  0.111818    0.00217599  -0.0782795  49  ILE   A CD1  
538  H H    . ILE   A 37  ? 0.350422 0.402948 0.487013 0.1058      -0.0325879  -0.0816236  49  ILE   A H    
539  H HA   . ILE   A 37  ? 0.310444 0.366188 0.431365 0.073904    -0.00078861 -0.0740641  49  ILE   A HA   
540  H HB   . ILE   A 37  ? 0.359278 0.424969 0.511044 0.107491    -0.00272665 -0.0916165  49  ILE   A HB   
541  H HG12 . ILE   A 37  ? 0.395152 0.407272 0.475186 0.0923851   0.00034655  -0.0703389  49  ILE   A HG12 
542  H HG13 . ILE   A 37  ? 0.407026 0.421173 0.502562 0.110679    -0.0162264  -0.072975   49  ILE   A HG13 
543  H HG21 . ILE   A 37  ? 0.363683 0.422504 0.489414 0.0945762   0.0261226   -0.0965431  49  ILE   A HG21 
544  H HG22 . ILE   A 37  ? 0.349023 0.414221 0.463246 0.0748774   0.0275385   -0.084087   49  ILE   A HG22 
545  H HG23 . ILE   A 37  ? 0.351502 0.450903 0.506393 0.0841414   0.0288225   -0.096847   49  ILE   A HG23 
546  H HD11 . ILE   A 37  ? 0.446602 0.45746  0.56017  0.120437    0.00209305  -0.0870804  49  ILE   A HD11 
547  H HD12 . ILE   A 37  ? 0.451157 0.430727 0.528282 0.118341    -0.0051834  -0.0695391  49  ILE   A HD12 
548  H HD13 . ILE   A 37  ? 0.437743 0.435409 0.51995  0.102911    0.012597    -0.07977    49  ILE   A HD13 
549  N N    . GLY   A 38  ? 0.26703  0.385272 0.436939 0.0519558   0.0213338   -0.0765593  50  GLY   A N    
550  C CA   . GLY   A 38  ? 0.26708  0.426532 0.466444 0.0363756   0.0344381   -0.0730567  50  GLY   A CA   
551  C C    . GLY   A 38  ? 0.298349 0.459885 0.517067 0.0181476   0.0248777   -0.0603772  50  GLY   A C    
552  O O    . GLY   A 38  ? 0.269101 0.463391 0.51181  0.00037409  0.037008    -0.0501013  50  GLY   A O    
553  H H    . GLY   A 38  ? 0.268975 0.367683 0.413204 0.0494153   0.0236158   -0.0715685  50  GLY   A H    
554  H HA2  . GLY   A 38  ? 0.27409  0.439291 0.458423 0.0307585   0.0480994   -0.0702959  50  GLY   A HA2  
555  H HA3  . GLY   A 38  ? 0.274059 0.457297 0.49814  0.0433059   0.0364653   -0.0817172  50  GLY   A HA3  
556  N N    . ASP   A 39  ? 0.278302 0.411558 0.494091 0.0233435   0.00269611  -0.0626532  51  ASP   A N    
557  C CA   . ASP   A 39  ? 0.298145 0.428894 0.538458 0.00823862  -0.0109937  -0.0566117  51  ASP   A CA   
558  C C    . ASP   A 39  ? 0.303605 0.419161 0.52695  -0.00876168 -0.00252836 -0.039092   51  ASP   A C    
559  O O    . ASP   A 39  ? 0.290427 0.384877 0.473745 -0.0037431  0.00467983  -0.0354046  51  ASP   A O    
560  C CB   . ASP   A 39  ? 0.291379 0.391695 0.520781 0.0202161   -0.0365768  -0.066867   51  ASP   A CB   
561  C CG   . ASP   A 39  ? 0.322881 0.439134 0.577478 0.0334622   -0.0545073  -0.0818161  51  ASP   A CG   
562  O OD1  . ASP   A 39  ? 0.297707 0.449837 0.585366 0.0333606   -0.0469211  -0.08434    51  ASP   A OD1  
563  O OD2  . ASP   A 39  ? 0.336605 0.432518 0.57647  0.0455598   -0.0764404  -0.0916556  51  ASP   A OD2  
564  H H    . ASP   A 39  ? 0.287605 0.40298  0.485957 0.0367522   -0.00438685 -0.0685384  51  ASP   A H    
565  H HA   . ASP   A 39  ? 0.293325 0.452358 0.56854  0.00088907  -0.00952384 -0.0565857  51  ASP   A HA   
566  H HB2  . ASP   A 39  ? 0.300144 0.379427 0.495893 0.0303302   -0.0355047  -0.0673629  51  ASP   A HB2  
567  H HB3  . ASP   A 39  ? 0.306677 0.396549 0.544268 0.00985258  -0.0443167  -0.063283   51  ASP   A HB3  
568  N N    . LYS   A 40  ? 0.341413 0.467681 0.599447 -0.0295935  -0.0052967  -0.026646   52  LYS   A N    
569  C CA   . LYS   A 40  ? 0.345915 0.454114 0.593873 -0.0452648  -0.00208462 -0.00682046 52  LYS   A CA   
570  C C    . LYS   A 40  ? 0.318121 0.381611 0.555911 -0.0385433  -0.0252783  -0.0143884  52  LYS   A C    
571  O O    . LYS   A 40  ? 0.36928  0.425942 0.634685 -0.0381181  -0.0454308  -0.0263311  52  LYS   A O    
572  C CB   . LYS   A 40  ? 0.389883 0.526033 0.683429 -0.0712493  0.00368738  0.0135578   52  LYS   A CB   
573  C CG   . LYS   A 40  ? 0.448811 0.577173 0.728144 -0.0869261  0.0136823   0.0406734   52  LYS   A CG   
574  C CD   . LYS   A 40  ? 0.599604 0.758419 0.926949 -0.114098   0.0200899   0.0658288   52  LYS   A CD   
575  C CE   . LYS   A 40  ? 0.666483 0.806615 0.986944 -0.130356   0.0214366   0.0967228   52  LYS   A CE   
576  N NZ   . LYS   A 40  ? 0.732422 0.895468 1.10521  -0.158484   0.0239375   0.124607    52  LYS   A NZ   
577  H H    . LYS   A 40  ? 0.334643 0.479702 0.625436 -0.0342258  -0.010058   -0.0295286  52  LYS   A H    
578  H HA   . LYS   A 40  ? 0.34018  0.44805  0.559482 -0.0425081  0.0104784   -0.0019476  52  LYS   A HA   
579  H HB2  . LYS   A 40  ? 0.38738  0.558885 0.695148 -0.0729751  0.0161531   0.0130756   52  LYS   A HB2  
580  H HB3  . LYS   A 40  ? 0.399913 0.526786 0.721489 -0.0762793  -0.0122259  0.0100242   52  LYS   A HB3  
581  H HG2  . LYS   A 40  ? 0.469484 0.56316  0.738144 -0.0841712  0.00085495  0.0405961   52  LYS   A HG2  
582  H HG3  . LYS   A 40  ? 0.457113 0.596793 0.70797  -0.0820579  0.0283344   0.042655    52  LYS   A HG3  
583  H HD2  . LYS   A 40  ? 0.569087 0.767149 0.900651 -0.116538   0.0372231   0.0685625   52  LYS   A HD2  
584  H HD3  . LYS   A 40  ? 0.576493 0.730659 0.93814  -0.118693   0.00585442  0.0596761   52  LYS   A HD3  
585  H HE2  . LYS   A 40  ? 0.661884 0.762889 0.975266 -0.124669   0.00532912  0.0914727   52  LYS   A HE2  
586  H HE3  . LYS   A 40  ? 0.661592 0.813533 0.950732 -0.127689   0.0359386   0.104304    52  LYS   A HE3  
587  H HZ1  . LYS   A 40  ? 0.720843 0.871145 1.12502  -0.161946   0.00861224  0.116598    52  LYS   A HZ1  
588  H HZ2  . LYS   A 40  ? 0.714072 0.917875 1.09444  -0.163426   0.0401153   0.129384    52  LYS   A HZ2  
589  H HZ3  . LYS   A 40  ? 0.73288  0.883509 1.1011   -0.167918   0.0243401   0.145887    52  LYS   A HZ3  
590  N N    . VAL   A 41  ? 0.339865 0.37597  0.537979 -0.0318372  -0.0228675  -0.00994881 53  VAL   A N    
591  C CA   . VAL   A 41  ? 0.370198 0.368273 0.552547 -0.0204531  -0.04157    -0.0201639  53  VAL   A CA   
592  C C    . VAL   A 41  ? 0.377263 0.352796 0.562645 -0.0321679  -0.0442159  -0.00282985 53  VAL   A C    
593  O O    . VAL   A 41  ? 0.350532 0.333049 0.520046 -0.0395156  -0.0287877  0.0160501   53  VAL   A O    
594  C CB   . VAL   A 41  ? 0.396183 0.384853 0.533037 0.00085109  -0.0372176  -0.0306892  53  VAL   A CB   
595  C CG1  . VAL   A 41  ? 0.415567 0.373838 0.531219 0.0149967   -0.0521732  -0.0411097  53  VAL   A CG1  
596  C CG2  . VAL   A 41  ? 0.381022 0.387864 0.519682 0.0131773   -0.0377307  -0.0445802  53  VAL   A CG2  
597  H H    . VAL   A 41  ? 0.334187 0.378108 0.515117 -0.0338456  -0.00912575 -0.00131249 53  VAL   A H    
598  H HA   . VAL   A 41  ? 0.377656 0.372899 0.579427 -0.018517   -0.0559593  -0.0315678  53  VAL   A HA   
599  H HB   . VAL   A 41  ? 0.382572 0.375716 0.503281 -0.00214059 -0.023729   -0.0209193  53  VAL   A HB   
600  H HG11 . VAL   A 41  ? 0.423332 0.375797 0.55665  0.0157814   -0.0668895  -0.0509207  53  VAL   A HG11 
601  H HG12 . VAL   A 41  ? 0.41529  0.362249 0.524656 0.0109254   -0.0496035  -0.0321246  53  VAL   A HG12 
602  H HG13 . VAL   A 41  ? 0.407666 0.365151 0.499341 0.0278343   -0.0499608  -0.0471943  53  VAL   A HG13 
603  H HG21 . VAL   A 41  ? 0.380729 0.378452 0.492755 0.0258103   -0.0367476  -0.0488422  53  VAL   A HG21 
604  H HG22 . VAL   A 41  ? 0.375476 0.403113 0.524445 0.00721827  -0.0259723  -0.0399001  53  VAL   A HG22 
605  H HG23 . VAL   A 41  ? 0.390147 0.397779 0.547562 0.0147184   -0.0514317  -0.0535894  53  VAL   A HG23 
606  N N    . TYR   A 42  ? 0.402404 0.349442 0.605126 -0.0298266  -0.0664168  -0.0131925  54  TYR   A N    
607  C CA   . TYR   A 42  ? 0.447941 0.36555  0.663373 -0.0378457  -0.075743   -0.00072943 54  TYR   A CA   
608  C C    . TYR   A 42  ? 0.394479 0.282065 0.581914 -0.0150147  -0.088533   -0.0205981  54  TYR   A C    
609  O O    . TYR   A 42  ? 0.409877 0.289825 0.5993   -0.00237687 -0.10471    -0.0460902  54  TYR   A O    
610  C CB   . TYR   A 42  ? 0.470935 0.378307 0.741699 -0.0555238  -0.0935448  0.00131449  54  TYR   A CB   
611  C CG   . TYR   A 42  ? 0.515226 0.459053 0.821209 -0.0799448  -0.0802177  0.0227881   54  TYR   A CG   
612  C CD1  . TYR   A 42  ? 0.514329 0.491583 0.834261 -0.0789779  -0.0773692  0.00909602  54  TYR   A CD1  
613  C CD2  . TYR   A 42  ? 0.529119 0.477418 0.85673  -0.10307    -0.0710483  0.0575815   54  TYR   A CD2  
614  C CE1  . TYR   A 42  ? 0.519352 0.536641 0.876027 -0.0998146  -0.0641987  0.0265838   54  TYR   A CE1  
615  C CE2  . TYR   A 42  ? 0.536458 0.526013 0.89626  -0.125354   -0.0563586  0.0783048   54  TYR   A CE2  
616  C CZ   . TYR   A 42  ? 0.551865 0.577601 0.926487 -0.12313    -0.0519022  0.0612003   54  TYR   A CZ   
617  O OH   . TYR   A 42  ? 0.571966 0.645182 0.982228 -0.142802   -0.0365441  0.0782104   54  TYR   A OH   
618  H H    . TYR   A 42  ? 0.408432 0.353789 0.615842 -0.0216891  -0.0775299  -0.03007    54  TYR   A H    
619  H HA   . TYR   A 42  ? 0.426674 0.350785 0.633568 -0.0456267  -0.0629618  0.0190222   54  TYR   A HA   
620  H HB2  . TYR   A 42  ? 0.485923 0.386886 0.763842 -0.0469867  -0.1082     -0.0206904  54  TYR   A HB2  
621  H HB3  . TYR   A 42  ? 0.498331 0.381658 0.777325 -0.0592049  -0.100677   0.00994004  54  TYR   A HB3  
622  H HD1  . TYR   A 42  ? 0.505747 0.480347 0.811231 -0.0633647  -0.0847206  -0.0118065  54  TYR   A HD1  
623  H HD2  . TYR   A 42  ? 0.542549 0.468168 0.862298 -0.102973   -0.074216   0.0684587   54  TYR   A HD2  
624  H HE1  . TYR   A 42  ? 0.511632 0.553375 0.879661 -0.0973209  -0.0624534  0.0163301   54  TYR   A HE1  
625  H HE2  . TYR   A 42  ? 0.554598 0.54995  0.926387 -0.141119   -0.0491498  0.104539    54  TYR   A HE2  
627  N N    . VAL   A 43  ? 0.406777 0.281295 0.571246 -0.0100845  -0.0821637  -0.00870551 55  VAL   A N    
628  C CA   . VAL   A 43  ? 0.405422 0.258233 0.545693 0.0122305   -0.0911275  -0.0259516  55  VAL   A CA   
629  C C    . VAL   A 43  ? 0.428297 0.255343 0.57819  0.0114381   -0.0972975  -0.0124984  55  VAL   A C    
630  O O    . VAL   A 43  ? 0.431254 0.261216 0.593779 -0.00591515 -0.0900783  0.0160141   55  VAL   A O    
631  C CB   . VAL   A 43  ? 0.386418 0.256844 0.481366 0.0265081   -0.0746418  -0.0283995  55  VAL   A CB   
632  C CG1  . VAL   A 43  ? 0.386405 0.278921 0.471157 0.0298119   -0.0689635  -0.0387112  55  VAL   A CG1  
633  C CG2  . VAL   A 43  ? 0.380275 0.261339 0.459773 0.0181934   -0.0573088  -0.00411322 55  VAL   A CG2  
634  H H    . VAL   A 43  ? 0.398868 0.281391 0.563064 -0.0205265  -0.0716942  0.0108444   55  VAL   A H    
635  H HA   . VAL   A 43  ? 0.420491 0.264772 0.568221 0.0201412   -0.104782   -0.0456662  55  VAL   A HA   
636  H HB   . VAL   A 43  ? 0.397697 0.257775 0.479473 0.0415859   -0.0807967  -0.0410081  55  VAL   A HB   
637  H HG11 . VAL   A 43  ? 0.3731   0.27966  0.468925 0.017159    -0.0606925  -0.0278695  55  VAL   A HG11 
638  H HG12 . VAL   A 43  ? 0.39208  0.280008 0.487001 0.03492     -0.0817961  -0.0538204  55  VAL   A HG12 
639  H HG13 . VAL   A 43  ? 0.372535 0.270724 0.430834 0.0399095   -0.0613781  -0.0409115  55  VAL   A HG13 
640  H HG21 . VAL   A 43  ? 0.363939 0.258064 0.420954 0.0235728   -0.0472059  -0.00637339 55  VAL   A HG21 
641  H HG22 . VAL   A 43  ? 0.387747 0.255738 0.465729 0.0228711   -0.0614827  -0.00056985 55  VAL   A HG22 
642  H HG23 . VAL   A 43  ? 0.377786 0.267145 0.472187 0.00310834  -0.0527274  0.0100178   55  VAL   A HG23 
643  N N    . HIS   A 44  ? 0.45114  0.256909 0.592526 0.0327717   -0.110216   -0.033821   56  HIS   A N    
644  C CA   . HIS   A 44  ? 0.493528 0.280829 0.633026 0.0419767   -0.113187   -0.0260688  56  HIS   A CA   
645  C C    . HIS   A 44  ? 0.449836 0.254748 0.54721  0.0630725   -0.101304   -0.0369327  56  HIS   A C    
646  O O    . HIS   A 44  ? 0.470558 0.288223 0.546924 0.0751161   -0.0996751  -0.0574357  56  HIS   A O    
647  C CB   . HIS   A 44  ? 0.549604 0.298189 0.721818 0.0510345   -0.138544   -0.0434703  56  HIS   A CB   
648  C CG   . HIS   A 44  ? 0.588194 0.313921 0.805915 0.0280114   -0.148521   -0.0187305  56  HIS   A CG   
649  N ND1  . HIS   A 44  ? 0.613087 0.343032 0.833043 0.0136223   -0.137827   0.0198939   56  HIS   A ND1  
650  C CD2  . HIS   A 44  ? 0.635951 0.338287 0.898872 0.0146199   -0.167385   -0.0235295  56  HIS   A CD2  
651  C CE1  . HIS   A 44  ? 0.621487 0.330218 0.88633  -0.00751077 -0.14922    0.0405932   56  HIS   A CE1  
652  N NE2  . HIS   A 44  ? 0.620619 0.313295 0.914239 -0.00915447 -0.166208   0.0153125   56  HIS   A NE2  
653  H H    . HIS   A 44  ? 0.45981  0.264888 0.5965   0.0432624   -0.117745   -0.0550269  56  HIS   A H    
654  H HA   . HIS   A 44  ? 0.481853 0.273124 0.626375 0.0288217   -0.105793   -0.001385   56  HIS   A HA   
655  H HB2  . HIS   A 44  ? 0.556785 0.303053 0.730849 0.0580421   -0.147997   -0.0673272  56  HIS   A HB2  
656  H HB3  . HIS   A 44  ? 0.556139 0.29805  0.718232 0.0662418   -0.139615   -0.0482537  56  HIS   A HB3  
658  H HD2  . HIS   A 44  ? 0.633423 0.329998 0.905648 0.0191956   -0.179202   -0.0478253  56  HIS   A HD2  
659  H HE1  . HIS   A 44  ? 0.628798 0.337406 0.902691 -0.0204229  -0.145243   0.0700201   56  HIS   A HE1  
661  N N    . TYR   A 45  ? 0.470411 0.279113 0.557279 0.0659162   -0.093064   -0.0200293  57  TYR   A N    
662  C CA   . TYR   A 45  ? 0.417192 0.247802 0.469802 0.0815147   -0.0797525  -0.0250994  57  TYR   A CA   
663  C C    . TYR   A 45  ? 0.4507   0.277636 0.507112 0.0896001   -0.0806598  -0.0130908  57  TYR   A C    
664  O O    . TYR   A 45  ? 0.442918 0.254409 0.521858 0.079379    -0.0878073  0.0078263   57  TYR   A O    
665  C CB   . TYR   A 45  ? 0.429982 0.289511 0.457229 0.0706634   -0.0600227  -0.0132718  57  TYR   A CB   
666  C CG   . TYR   A 45  ? 0.377263 0.246749 0.405628 0.0531685   -0.0508589  0.0149437   57  TYR   A CG   
667  C CD1  . TYR   A 45  ? 0.394698 0.264499 0.439303 0.0323895   -0.0499892  0.031766    57  TYR   A CD1  
668  C CD2  . TYR   A 45  ? 0.365654 0.246446 0.38174  0.0581949   -0.0451295  0.0247833   57  TYR   A CD2  
669  C CE1  . TYR   A 45  ? 0.385639 0.267736 0.427726 0.0182918   -0.0429121  0.0580199   57  TYR   A CE1  
670  C CE2  . TYR   A 45  ? 0.361534 0.253005 0.376696 0.0441775   -0.0404249  0.0489153   57  TYR   A CE2  
671  C CZ   . TYR   A 45  ? 0.387097 0.280158 0.411754 0.0244424   -0.0386849  0.0656305   57  TYR   A CZ   
672  O OH   . TYR   A 45  ? 0.380761 0.291371 0.396953 0.0120794   -0.0328964  0.0891769   57  TYR   A OH   
673  H H    . TYR   A 45  ? 0.465221 0.263949 0.568163 0.0574089   -0.0962316  -0.00356549 57  TYR   A H    
674  H HA   . TYR   A 45  ? 0.443597 0.273731 0.488131 0.0962827   -0.0840974  -0.0459406  57  TYR   A HA   
675  H HB2  . TYR   A 45  ? 0.402178 0.273312 0.410462 0.0817143   -0.0537306  -0.020138   57  TYR   A HB2  
676  H HB3  . TYR   A 45  ? 0.404777 0.266531 0.434203 0.0647169   -0.0600922  -0.018093   57  TYR   A HB3  
677  H HD1  . TYR   A 45  ? 0.393176 0.257094 0.451284 0.0279739   -0.054685   0.0257805   57  TYR   A HD1  
678  H HD2  . TYR   A 45  ? 0.366913 0.251283 0.374901 0.0717218   -0.044563   0.0147794   57  TYR   A HD2  
679  H HE1  . TYR   A 45  ? 0.391537 0.279323 0.442009 0.00447574  -0.04004    0.0699429   57  TYR   A HE1  
680  H HE2  . TYR   A 45  ? 0.364081 0.265922 0.371062 0.0477539   -0.037652   0.0540945   57  TYR   A HE2  
682  N N    . LYS   A 46  ? 0.449224 0.292118 0.485654 0.109725    -0.0745318  -0.0264672  58  LYS   A N    
683  C CA   . LYS   A 46  ? 0.456356 0.309446 0.492645 0.119296    -0.0713072  -0.0167597  58  LYS   A CA   
684  C C    . LYS   A 46  ? 0.467997 0.355986 0.475322 0.119957    -0.0523888  -0.0146649  58  LYS   A C    
685  O O    . LYS   A 46  ? 0.473803 0.372672 0.462395 0.125106    -0.0456386  -0.0284245  58  LYS   A O    
686  C CB   . LYS   A 46  ? 0.51219  0.3562   0.560046 0.147227    -0.0821588  -0.0385572  58  LYS   A CB   
687  C CG   . LYS   A 46  ? 0.597982 0.404704 0.671368 0.152941    -0.103054   -0.0572645  58  LYS   A CG   
688  C CD   . LYS   A 46  ? 0.649675 0.433093 0.749336 0.17674     -0.120227   -0.0741584  58  LYS   A CD   
689  C CE   . LYS   A 46  ? 0.655112 0.450841 0.740854 0.206591    -0.121074   -0.112425   58  LYS   A CE   
690  N NZ   . LYS   A 46  ? 0.641779 0.410223 0.758761 0.229705    -0.139992   -0.131574   58  LYS   A NZ   
691  H H    . LYS   A 46  ? 0.447769 0.298081 0.470919 0.117909    -0.0722492  -0.0417705  58  LYS   A H    
692  H HA   . LYS   A 46  ? 0.4672   0.315327 0.51392  0.107713    -0.0731532  0.00285701  58  LYS   A HA   
693  H HB2  . LYS   A 46  ? 0.511718 0.374433 0.542057 0.159242    -0.0745264  -0.0522577  58  LYS   A HB2  
694  H HB3  . LYS   A 46  ? 0.520674 0.366474 0.578104 0.150534    -0.0835239  -0.0274207  58  LYS   A HB3  
695  H HG2  . LYS   A 46  ? 0.587181 0.379264 0.674441 0.135152    -0.107414   -0.0415814  58  LYS   A HG2  
696  H HG3  . LYS   A 46  ? 0.587463 0.398155 0.648823 0.157151    -0.1027     -0.0751698  58  LYS   A HG3  
697  H HD2  . LYS   A 46  ? 0.640568 0.430433 0.745608 0.178926    -0.117594   -0.0588778  58  LYS   A HD2  
698  H HD3  . LYS   A 46  ? 0.663326 0.416614 0.787217 0.170377    -0.134759   -0.0739646  58  LYS   A HD3  
699  H HE2  . LYS   A 46  ? 0.646786 0.439384 0.723924 0.205129    -0.124186   -0.127591   58  LYS   A HE2  
700  H HE3  . LYS   A 46  ? 0.627034 0.453598 0.692432 0.213063    -0.106432   -0.110081   58  LYS   A HE3  
701  H HZ1  . LYS   A 46  ? 0.676512 0.414167 0.814636 0.223166    -0.15466    -0.134422   58  LYS   A HZ1  
702  H HZ2  . LYS   A 46  ? 0.656246 0.427403 0.783146 0.231424    -0.138354   -0.116136   58  LYS   A HZ2  
703  H HZ3  . LYS   A 46  ? 0.669695 0.449707 0.776582 0.249662    -0.139454   -0.1566     58  LYS   A HZ3  
704  N N    . GLY   A 47  ? 0.400362 0.305625 0.40599  0.113433    -0.0454225  0.00453434  59  GLY   A N    
705  C CA   . GLY   A 47  ? 0.404796 0.340251 0.390109 0.107484    -0.0292189  0.0103935   59  GLY   A CA   
706  C C    . GLY   A 47  ? 0.406583 0.362324 0.399345 0.11365     -0.0280581  0.0202587   59  GLY   A C    
707  O O    . GLY   A 47  ? 0.401666 0.347337 0.412403 0.116098    -0.0394018  0.0302745   59  GLY   A O    
708  H H    . GLY   A 47  ? 0.428385 0.325771 0.44766  0.112373    -0.05235    0.0146248   59  GLY   A H    
709  H HA2  . GLY   A 47  ? 0.396288 0.338971 0.370586 0.115291    -0.0239125  -0.00129575 59  GLY   A HA2  
710  H HA3  . GLY   A 47  ? 0.387713 0.324359 0.367429 0.0918418   -0.0251204  0.0196765   59  GLY   A HA3  
711  N N    . LYS   A 48  ? 0.336493 0.321871 0.318482 0.115583    -0.0151538  0.0193437   60  LYS   A N    
712  C CA   . LYS   A 48  ? 0.331663 0.344021 0.324015 0.120674    -0.0130457  0.0270486   60  LYS   A CA   
713  C C    . LYS   A 48  ? 0.334466 0.375193 0.315626 0.109597    0.00196879  0.0314297   60  LYS   A C    
714  O O    . LYS   A 48  ? 0.340671 0.379741 0.306166 0.106018    0.011165    0.0259533   60  LYS   A O    
715  C CB   . LYS   A 48  ? 0.381491 0.402085 0.389977 0.147355    -0.017447   0.01519     60  LYS   A CB   
716  C CG   . LYS   A 48  ? 0.413322 0.447382 0.4089   0.163585    -0.00706966 -0.00382556 60  LYS   A CG   
717  C CD   . LYS   A 48  ? 0.470843 0.5244   0.481504 0.192143    -0.0079903  -0.0181669  60  LYS   A CD   
718  C CE   . LYS   A 48  ? 0.521762 0.585459 0.51525  0.211116    -0.0007097  -0.0402843  60  LYS   A CE   
719  N NZ   . LYS   A 48  ? 0.586258 0.686526 0.592684 0.237246    0.00539034  -0.0516502  60  LYS   A NZ   
720  H H    . LYS   A 48  ? 0.341536 0.330822 0.311188 0.113064    -0.00783103 0.0145728   60  LYS   A H    
721  H HA   . LYS   A 48  ? 0.343555 0.352528 0.34235  0.112347    -0.0194092  0.0390797   60  LYS   A HA   
722  H HB2  . LYS   A 48  ? 0.376563 0.41834  0.395049 0.149049    -0.0163057  0.0224667   60  LYS   A HB2  
723  H HB3  . LYS   A 48  ? 0.394568 0.39244  0.413587 0.153561    -0.0290264  0.0125234   60  LYS   A HB3  
724  H HG2  . LYS   A 48  ? 0.421454 0.434451 0.408839 0.164308    -0.011121   -0.0128884  60  LYS   A HG2  
725  H HG3  . LYS   A 48  ? 0.402221 0.455219 0.387628 0.154985    0.00433636  0.00200073  60  LYS   A HG3  
726  H HD2  . LYS   A 48  ? 0.462466 0.544136 0.4809   0.191415    -0.00127137 -0.00964559 60  LYS   A HD2  
727  H HD3  . LYS   A 48  ? 0.48331  0.516984 0.509317 0.199716    -0.0208765  -0.0212673  60  LYS   A HD3  
728  H HE2  . LYS   A 48  ? 0.53704  0.574158 0.528809 0.216865    -0.0109395  -0.053152   60  LYS   A HE2  
729  H HE3  . LYS   A 48  ? 0.512327 0.587617 0.48867  0.201458    0.00998063  -0.034748   60  LYS   A HE3  
730  H HZ1  . LYS   A 48  ? 0.579914 0.669038 0.605036 0.246535    -0.00519895 -0.0556303  60  LYS   A HZ1  
731  H HZ2  . LYS   A 48  ? 0.556935 0.685226 0.566058 0.230995    0.0157728   -0.0396203  60  LYS   A HZ2  
732  H HZ3  . LYS   A 48  ? 0.583227 0.691048 0.577426 0.251007    0.00919014  -0.0670189  60  LYS   A HZ3  
733  N N    . LEU   A 49  ? 0.315512 0.381334 0.307814 0.103776    0.00229391  0.0424339   61  LEU   A N    
734  C CA   . LEU   A 49  ? 0.360241 0.456691 0.353058 0.095638    0.0146866   0.0460362   61  LEU   A CA   
735  C C    . LEU   A 49  ? 0.414637 0.531602 0.411726 0.116476    0.0237773   0.0373754   61  LEU   A C    
736  O O    . LEU   A 49  ? 0.416131 0.533452 0.423367 0.137998    0.0178281   0.0285517   61  LEU   A O    
737  C CB   . LEU   A 49  ? 0.375036 0.496866 0.384338 0.0864583   0.00916939  0.0572699   61  LEU   A CB   
738  C CG   . LEU   A 49  ? 0.394011 0.501536 0.393868 0.068436    -0.00030257 0.0648164   61  LEU   A CG   
739  C CD1  . LEU   A 49  ? 0.473378 0.611021 0.486325 0.0597306   -0.00823664 0.0742392   61  LEU   A CD1  
740  C CD2  . LEU   A 49  ? 0.406324 0.49653  0.386621 0.0526308   0.00784397  0.059748    61  LEU   A CD2  
741  H H    . LEU   A 49  ? 0.336548 0.400869 0.338184 0.104515    -0.00628893 0.0486208   61  LEU   A H    
742  H HA   . LEU   A 49  ? 0.353754 0.441936 0.334649 0.0840298   0.0197642   0.0461331   61  LEU   A HA   
743  H HB2  . LEU   A 49  ? 0.383538 0.514055 0.40644  0.0997893   0.00371257  0.0575886   61  LEU   A HB2  
744  H HB3  . LEU   A 49  ? 0.369366 0.511511 0.383222 0.0796126   0.0167733   0.059244    61  LEU   A HB3  
745  H HG   . LEU   A 49  ? 0.413445 0.503327 0.412128 0.0744417   -0.00772779 0.0664688   61  LEU   A HG   
746  H HD11 . LEU   A 49  ? 0.454518 0.60227  0.481683 0.0720707   -0.0140314  0.0775737   61  LEU   A HD11 
747  H HD12 . LEU   A 49  ? 0.451736 0.582485 0.454614 0.0497668   -0.0142054  0.078406    61  LEU   A HD12 
748  H HD13 . LEU   A 49  ? 0.44215  0.59696  0.460271 0.0521572   -0.00217037 0.0725369   61  LEU   A HD13 
749  H HD21 . LEU   A 49  ? 0.401491 0.471158 0.373913 0.0572225   0.00766369  0.0559199   61  LEU   A HD21 
750  H HD22 . LEU   A 49  ? 0.394823 0.494217 0.37683  0.0508831   0.016027    0.0574106   61  LEU   A HD22 
751  H HD23 . LEU   A 49  ? 0.399697 0.491433 0.375187 0.0402318   0.00441773  0.0626484   61  LEU   A HD23 
752  N N    . SER   A 50  ? 0.439152 0.574383 0.429153 0.111169    0.0382246   0.0400074   62  SER   A N    
753  C CA   . SER   A 50  ? 0.555319 0.721044 0.547102 0.130495    0.0499092   0.0348973   62  SER   A CA   
754  C C    . SER   A 50  ? 0.520663 0.725254 0.541736 0.140136    0.0501694   0.0379289   62  SER   A C    
755  O O    . SER   A 50  ? 0.589503 0.817547 0.616909 0.163922    0.0552149   0.0279783   62  SER   A O    
756  C CB   . SER   A 50  ? 0.601742 0.781223 0.581569 0.119527    0.0656368   0.0445686   62  SER   A CB   
757  O OG   . SER   A 50  ? 0.587865 0.785406 0.586929 0.0975809   0.0690296   0.059704    62  SER   A OG   
758  H H    . SER   A 50  ? 0.445117 0.575071 0.429471 0.0960446   0.0411329   0.0454481   62  SER   A H    
759  H HA   . SER   A 50  ? 0.542675 0.695116 0.525409 0.145656    0.0463458   0.0228309   62  SER   A HA   
760  H HB2  . SER   A 50  ? 0.600194 0.802143 0.577096 0.132831    0.0745545   0.0423808   62  SER   A HB2  
761  H HB3  . SER   A 50  ? 0.589603 0.744005 0.553341 0.114275    0.0635681   0.0427944   62  SER   A HB3  
763  N N    . ASN   A 51  ? 0.621555 0.835578 0.661141 0.123371    0.0434519   0.0495812   63  ASN   A N    
764  C CA   . ASN   A 51  ? 0.651289 0.899478 0.722107 0.132029    0.0378774   0.0530802   63  ASN   A CA   
765  C C    . ASN   A 51  ? 0.735243 0.965706 0.814465 0.155457    0.0224103   0.0440485   63  ASN   A C    
766  O O    . ASN   A 51  ? 0.813171 1.06818  0.919718 0.165035    0.0146613   0.0477019   63  ASN   A O    
767  C CB   . ASN   A 51  ? 0.558344 0.814895 0.641758 0.107605    0.029007    0.0657622   63  ASN   A CB   
768  H H    . ASN   A 51  ? 0.587288 0.787338 0.619907 0.106159    0.0415304   0.0548008   63  ASN   A H    
769  H HA   . ASN   A 51  ? 0.643452 0.924646 0.725144 0.138859    0.0490369   0.0534771   63  ASN   A HA   
772  N N    . GLY   A 52  ? 0.824499 1.01112  0.884679 0.163548    0.0156119   0.0334641   64  GLY   A N    
773  C CA   . GLY   A 52  ? 0.773804 0.928744 0.843264 0.178856    -0.00262147 0.0281683   64  GLY   A CA   
774  C C    . GLY   A 52  ? 0.797126 0.950143 0.883542 0.170522    -0.0188721  0.0456857   64  GLY   A C    
775  O O    . GLY   A 52  ? 0.805486 0.947654 0.911999 0.188296    -0.0335741  0.0458467   64  GLY   A O    
776  H H    . GLY   A 52  ? 0.77913  0.954348 0.821315 0.15847     0.0221447   0.0300271   64  GLY   A H    
777  H HA2  . GLY   A 52  ? 0.797142 0.920676 0.851373 0.174958    -0.00578532 0.0238737   64  GLY   A HA2  
778  H HA3  . GLY   A 52  ? 0.807333 0.972537 0.887839 0.200376    -0.00212794 0.0166398   64  GLY   A HA3  
779  N N    . LYS   A 53  ? 0.712445 0.875812 0.791294 0.144704    -0.0183487  0.0604693   65  LYS   A N    
780  C CA   . LYS   A 53  ? 0.617511 0.791067 0.710297 0.139446    -0.0339592  0.0765899   65  LYS   A CA   
781  C C    . LYS   A 53  ? 0.606074 0.738817 0.682631 0.12885     -0.0472702  0.0882172   65  LYS   A C    
782  O O    . LYS   A 53  ? 0.569685 0.70229  0.65562  0.130072    -0.0632755  0.104362    65  LYS   A O    
783  C CB   . LYS   A 53  ? 0.605062 0.823473 0.706531 0.123278    -0.0282027  0.0823156   65  LYS   A CB   
784  H H    . LYS   A 53  ? 0.687111 0.850911 0.751924 0.131234    -0.00950348 0.0599382   65  LYS   A H    
785  H HA   . LYS   A 53  ? 0.644675 0.826782 0.757749 0.157918    -0.0401863  0.0752695   65  LYS   A HA   
788  N N    . LYS   A 54  ? 0.466089 0.565314 0.521009 0.120487    -0.0415538  0.0820605   66  LYS   A N    
789  C CA   . LYS   A 54  ? 0.425064 0.491892 0.465125 0.106792    -0.0488475  0.0929531   66  LYS   A CA   
790  C C    . LYS   A 54  ? 0.461312 0.494882 0.496075 0.113472    -0.0444421  0.0775568   66  LYS   A C    
791  O O    . LYS   A 54  ? 0.451571 0.493202 0.476254 0.115049    -0.0309728  0.0619888   66  LYS   A O    
792  C CB   . LYS   A 54  ? 0.364967 0.441675 0.380888 0.0807788   -0.0420513  0.0982399   66  LYS   A CB   
793  H H    . LYS   A 54  ? 0.478785 0.578449 0.528636 0.123633    -0.0316385  0.070522    66  LYS   A H    
794  H HA   . LYS   A 54  ? 0.447199 0.507752 0.497865 0.111726    -0.0609868  0.104877    66  LYS   A HA   
797  N N    A PHE   A 55  ? 0.469022 0.467485 0.513554 0.118214    -0.0570995  0.0825027   67  PHE   A N    
798  N N    B PHE   A 55  ? 0.462373 0.461943 0.504227 0.114642    -0.056578   0.0848416   67  PHE   A N    
799  C CA   A PHE   A 55  ? 0.467774 0.432342 0.514868 0.125465    -0.0591193  0.0667353   67  PHE   A CA   
800  C CA   B PHE   A 55  ? 0.450736 0.415427 0.496514 0.121553    -0.0595515  0.0710464   67  PHE   A CA   
801  C C    A PHE   A 55  ? 0.476093 0.411104 0.523534 0.107931    -0.066962   0.0829806   67  PHE   A C    
802  C C    B PHE   A 55  ? 0.459345 0.400742 0.499444 0.10071     -0.0635171  0.086861    67  PHE   A C    
803  O O    A PHE   A 55  ? 0.458801 0.388574 0.517504 0.104207    -0.078307   0.106236    67  PHE   A O    
804  O O    B PHE   A 55  ? 0.404416 0.350917 0.4433   0.0880045   -0.0687888  0.111636    67  PHE   A O    
805  C CB   A PHE   A 55  ? 0.503185 0.454487 0.576095 0.153939    -0.0704541  0.0526933   67  PHE   A CB   
806  C CB   B PHE   A 55  ? 0.47516  0.420824 0.549921 0.1462      -0.0748198  0.0651726   67  PHE   A CB   
807  C CG   A PHE   A 55  ? 0.520654 0.438708 0.599294 0.166076    -0.0762445  0.0289244   67  PHE   A CG   
808  C CG   B PHE   A 55  ? 0.479316 0.457075 0.563055 0.168718    -0.0695763  0.0507397   67  PHE   A CG   
809  C CD1  A PHE   A 55  ? 0.546809 0.422059 0.643274 0.160862    -0.0923625  0.0349351   67  PHE   A CD1  
810  C CD1  B PHE   A 55  ? 0.477122 0.463201 0.553847 0.184109    -0.0593516  0.0238415   67  PHE   A CD1  
811  C CD2  A PHE   A 55  ? 0.550592 0.482287 0.61943  0.183634    -0.0673319  0.0008672   67  PHE   A CD2  
812  C CD2  B PHE   A 55  ? 0.492307 0.499062 0.589797 0.173108    -0.0735299  0.06529     67  PHE   A CD2  
813  C CE1  A PHE   A 55  ? 0.557335 0.402571 0.662817 0.170809    -0.100738   0.0101521   67  PHE   A CE1  
814  C CE1  B PHE   A 55  ? 0.475269 0.499599 0.55967  0.20317     -0.0507795  0.0131265   67  PHE   A CE1  
815  C CE2  A PHE   A 55  ? 0.574674 0.478821 0.647121 0.19653     -0.0756639  -0.0245202  67  PHE   A CE2  
816  C CE2  B PHE   A 55  ? 0.479631 0.523012 0.589662 0.192316    -0.0667311  0.0528231   67  PHE   A CE2  
817  C CZ   A PHE   A 55  ? 0.575073 0.434819 0.667548 0.189886    -0.0935549  -0.0215208  67  PHE   A CZ   
818  C CZ   B PHE   A 55  ? 0.477063 0.529761 0.580917 0.207296    -0.054139   0.0271293   67  PHE   A CZ   
819  H H    A PHE   A 55  ? 0.480903 0.476836 0.532477 0.11599     -0.0663418  0.0977475   67  PHE   A H    
820  H H    B PHE   A 55  ? 0.470624 0.469556 0.516482 0.109823    -0.0646567  0.100852    67  PHE   A H    
821  H HA   A PHE   A 55  ? 0.457342 0.428351 0.490851 0.123585    -0.0486474  0.0542677   67  PHE   A HA   
822  H HA   B PHE   A 55  ? 0.443519 0.413459 0.479024 0.124041    -0.0501195  0.0557188   67  PHE   A HA   
823  H HB2  A PHE   A 55  ? 0.493846 0.470764 0.567698 0.164869    -0.0640187  0.0447691   67  PHE   A HB2  
824  H HB2  B PHE   A 55  ? 0.491579 0.42884  0.577213 0.143013    -0.0851824  0.0832388   67  PHE   A HB2  
825  H HB3  A PHE   A 55  ? 0.516345 0.458522 0.604622 0.155789    -0.0819645  0.0668838   67  PHE   A HB3  
826  H HB3  B PHE   A 55  ? 0.487958 0.409599 0.566611 0.151016    -0.0783983  0.0526958   67  PHE   A HB3  
827  H HD1  A PHE   A 55  ? 0.549667 0.417791 0.651668 0.14859     -0.0975823  0.0568678   67  PHE   A HD1  
828  H HD1  B PHE   A 55  ? 0.477808 0.447016 0.544186 0.18131     -0.0578519  0.0137807   67  PHE   A HD1  
829  H HD2  A PHE   A 55  ? 0.528237 0.489749 0.587824 0.186546    -0.0559458  -0.00081404 67  PHE   A HD2  
830  H HD2  B PHE   A 55  ? 0.491907 0.495565 0.591124 0.163301    -0.0812686  0.0842456   67  PHE   A HD2  
831  H HE1  A PHE   A 55  ? 0.582208 0.398204 0.703797 0.164927    -0.112318   0.0152671   67  PHE   A HE1  
832  H HE1  B PHE   A 55  ? 0.477336 0.510621 0.554632 0.214076    -0.0429737  -0.00371543 67  PHE   A HE1  
833  H HE2  A PHE   A 55  ? 0.568921 0.486058 0.630528 0.208943    -0.06945    -0.0433118  67  PHE   A HE2  
834  H HE2  B PHE   A 55  ? 0.483662 0.548433 0.606748 0.195669    -0.0707174  0.0623345   67  PHE   A HE2  
835  H HZ   A PHE   A 55  ? 0.591115 0.432138 0.688141 0.197507    -0.100836   -0.0405065  67  PHE   A HZ   
836  H HZ   B PHE   A 55  ? 0.477335 0.559536 0.589938 0.220314    -0.0476437  0.0197708   67  PHE   A HZ   
837  N N    . ASP   A 56  ? 0.435487 0.355935 0.472164 0.0974164   -0.0609086  0.0732563   68  ASP   A N    
838  C CA   . ASP   A 56  ? 0.492018 0.39555  0.529131 0.0773223   -0.0633257  0.0886015   68  ASP   A CA   
839  C C    . ASP   A 56  ? 0.554414 0.428742 0.603543 0.0808033   -0.0686201  0.0709387   68  ASP   A C    
840  O O    . ASP   A 56  ? 0.512245 0.390198 0.551446 0.0905838   -0.062908   0.0466248   68  ASP   A O    
841  C CB   . ASP   A 56  ? 0.474805 0.40268  0.486371 0.0571855   -0.0485157  0.0943979   68  ASP   A CB   
842  C CG   . ASP   A 56  ? 0.469735 0.390054 0.480904 0.0371309   -0.0464221  0.107242    68  ASP   A CG   
843  O OD1  . ASP   A 56  ? 0.488877 0.394459 0.51648  0.03097     -0.0563091  0.128412    68  ASP   A OD1  
844  O OD2  . ASP   A 56  ? 0.445282 0.374404 0.443473 0.0283387   -0.0351631  0.0969325   68  ASP   A OD2  
845  H H    A ASP   A 56  ? 0.44531  0.369628 0.474884 0.103589    -0.0546822  0.0567488   68  ASP   A H    
846  H H    B ASP   A 56  ? 0.448062 0.36757  0.482511 0.10724     -0.0576582  0.0555184   68  ASP   A H    
847  H HA   . ASP   A 56  ? 0.507907 0.403894 0.556513 0.0750579   -0.0722318  0.106475    68  ASP   A HA   
848  H HB2  . ASP   A 56  ? 0.467869 0.414015 0.4726   0.0541884   -0.0474756  0.104791    68  ASP   A HB2  
849  H HB3  . ASP   A 56  ? 0.455347 0.390081 0.457118 0.060424    -0.0405645  0.0786957   68  ASP   A HB3  
850  N N    . SER   A 57  ? 0.578897 0.428034 0.648357 0.0696953   -0.079166   0.0860089   69  SER   A N    
851  C CA   . SER   A 57  ? 0.652869 0.472847 0.741428 0.0700652   -0.0882261  0.0701258   69  SER   A CA   
852  C C    . SER   A 57  ? 0.65943  0.470938 0.762084 0.0443097   -0.0893942  0.0943364   69  SER   A C    
853  O O    . SER   A 57  ? 0.614571 0.423411 0.72728  0.033057    -0.0935138  0.126244    69  SER   A O    
854  C CB   . SER   A 57  ? 0.715694 0.50324  0.832982 0.0916819   -0.107595   0.0562894   69  SER   A CB   
855  O OG   . SER   A 57  ? 0.820898 0.582285 0.954737 0.0949567   -0.118266   0.0318066   69  SER   A OG   
856  H H    . SER   A 57  ? 0.598339 0.449599 0.670885 0.0609007   -0.081368   0.107624    69  SER   A H    
857  H HA   . SER   A 57  ? 0.626333 0.455219 0.701295 0.0733875   -0.081312   0.0516529   69  SER   A HA   
858  H HB2  . SER   A 57  ? 0.723494 0.523134 0.831941 0.10815     -0.104859   0.0440117   69  SER   A HB2  
859  H HB3  . SER   A 57  ? 0.748529 0.522537 0.883095 0.0876856   -0.116262   0.0762812   69  SER   A HB3  
861  N N    . SER   A 58  ? 0.606292 0.415153 0.712284 0.0363178   -0.0868995  0.0795308   70  SER   A N    
862  C CA   . SER   A 58  ? 0.576839 0.373252 0.709897 0.0149845   -0.0918435  0.0958216   70  SER   A CA   
863  C C    . SER   A 58  ? 0.686185 0.439295 0.860807 0.0182858   -0.114794   0.100801    70  SER   A C    
864  O O    . SER   A 58  ? 0.718656 0.461441 0.918328 -0.00131255 -0.119383   0.13129     70  SER   A O    
865  C CB   . SER   A 58  ? 0.510798 0.314064 0.644646 0.00993851  -0.0879496  0.073954    70  SER   A CB   
866  O OG   . SER   A 58  ? 0.546326 0.325478 0.690267 0.0292626   -0.103113   0.041458    70  SER   A OG   
867  H H    . SER   A 58  ? 0.590549 0.407606 0.682893 0.0441167   -0.0820586  0.0598659   70  SER   A H    
868  H HA   . SER   A 58  ? 0.58369  0.396952 0.709735 0.00124463  -0.0833684  0.119403    70  SER   A HA   
869  H HB2  . SER   A 58  ? 0.535419 0.337006 0.688775 -0.00621883 -0.0891328  0.0866718   70  SER   A HB2  
870  H HB3  . SER   A 58  ? 0.503275 0.330165 0.612422 0.0105518   -0.074848   0.0690552   70  SER   A HB3  
872  N N    . HIS   A 59  ? 0.693761 0.421904 0.877944 0.0426401   -0.129329   0.0712419   71  HIS   A N    
873  C CA   . HIS   A 59  ? 0.863252 0.545573 1.0903   0.0487802   -0.153464   0.0725113   71  HIS   A CA   
874  C C    . HIS   A 59  ? 0.899033 0.572668 1.14004  0.040466    -0.157649   0.115812    71  HIS   A C    
875  O O    . HIS   A 59  ? 1.05256  0.689694 1.33505  0.0304132   -0.174813   0.135103    71  HIS   A O    
876  C CB   . HIS   A 59  ? 0.910305 0.576092 1.13816  0.0816326   -0.165506   0.0309669   71  HIS   A CB   
877  C CG   . HIS   A 59  ? 0.929903 0.599595 1.14885  0.0876142   -0.166733   -0.00755853 71  HIS   A CG   
878  N ND1  . HIS   A 59  ? 0.943393 0.590319 1.19389  0.0720205   -0.180615   -0.0144973  71  HIS   A ND1  
879  C CD2  . HIS   A 59  ? 0.92845  0.624221 1.11227  0.105591    -0.156892   -0.0379527  71  HIS   A CD2  
880  C CE1  . HIS   A 59  ? 0.940607 0.599375 1.17413  0.0825473   -0.181294   -0.0508903  71  HIS   A CE1  
881  N NE2  . HIS   A 59  ? 0.909032 0.59795  1.0996   0.102588    -0.165923   -0.0634358  71  HIS   A NE2  
882  H H    . HIS   A 59  ? 0.706209 0.446254 0.870674 0.056063    -0.124256   0.0498251   71  HIS   A H    
883  H HA   . HIS   A 59  ? 0.856463 0.524384 1.10606  0.035948    -0.160426   0.0715335   71  HIS   A HA   
884  H HB2  . HIS   A 59  ? 0.89345  0.579649 1.0986   0.0941094   -0.156356   0.0296307   71  HIS   A HB2  
885  H HB3  . HIS   A 59  ? 0.941716 0.575402 1.19972  0.0872891   -0.182326   0.031221    71  HIS   A HB3  
887  H HD2  . HIS   A 59  ? 0.902127 0.618858 1.06215  0.117089    -0.146085   -0.0399645  71  HIS   A HD2  
888  H HE1  . HIS   A 59  ? 0.946971 0.596885 1.19672  0.0755357   -0.190859   -0.0633407  71  HIS   A HE1  
890  N N    . ASP   A 60  ? 1.03304  0.741058 1.2409   0.0423896   -0.143033   0.133728    72  ASP   A N    
891  C CA   . ASP   A 60  ? 1.02824  0.737327 1.24096  0.0358685   -0.146778   0.175953    72  ASP   A CA   
892  C C    . ASP   A 60  ? 0.982343 0.694181 1.20663  0.00399895  -0.14323    0.217177    72  ASP   A C    
893  O O    . ASP   A 60  ? 0.896809 0.611451 1.12313  -0.00335783 -0.146637   0.256904    72  ASP   A O    
894  C CB   . ASP   A 60  ? 1.01983  0.774274 1.19083  0.040967    -0.131137   0.18309     72  ASP   A CB   
895  C CG   . ASP   A 60  ? 0.943375 0.709516 1.10108  0.0692693   -0.130026   0.152084    72  ASP   A CG   
896  O OD1  . ASP   A 60  ? 0.92794  0.665172 1.11247  0.0909601   -0.146319   0.137928    72  ASP   A OD1  
897  O OD2  . ASP   A 60  ? 0.890367 0.695629 1.01376  0.0693483   -0.112993   0.14323     72  ASP   A OD2  
898  H H    . ASP   A 60  ? 0.952962 0.685311 1.13425  0.0483175   -0.131271   0.118832    72  ASP   A H    
899  H HA   . ASP   A 60  ? 1.05235  0.733272 1.28914  0.0488031   -0.162537   0.175458    72  ASP   A HA   
900  H HB2  . ASP   A 60  ? 0.974388 0.7539   1.12356  0.0283588   -0.116608   0.182896    72  ASP   A HB2  
901  H HB3  . ASP   A 60  ? 1.01599  0.77214  1.19007  0.0364858   -0.135583   0.211794    72  ASP   A HB3  
902  N N    . ARG   A 61  ? 1.00382  0.726293 1.22976  -0.0150241  -0.133185   0.210922    73  ARG   A N    
903  C CA   . ARG   A 61  ? 0.910583 0.640878 1.15344  -0.0456549  -0.128112   0.249585    73  ARG   A CA   
904  C C    . ARG   A 61  ? 0.829361 0.522115 1.12327  -0.056467   -0.143269   0.239701    73  ARG   A C    
905  O O    . ARG   A 61  ? 0.824827 0.524286 1.14254  -0.0836146  -0.139264   0.26703     73  ARG   A O    
906  C CB   . ARG   A 61  ? 0.889115 0.676705 1.08777  -0.0573196  -0.1009     0.252284    73  ARG   A CB   
907  H H    . ARG   A 61  ? 0.94223  0.671108 1.15819  -0.00862182 -0.128467   0.18272     73  ARG   A H    
908  H HA   . ARG   A 61  ? 0.936836 0.660477 1.18652  -0.0492533  -0.133919   0.280474    73  ARG   A HA   
911  N N    . ASN   A 62  ? 0.842429 0.499737 1.15341  -0.03478    -0.160674   0.197951    74  ASN   A N    
912  C CA   . ASN   A 62  ? 0.85785  0.478483 1.21454  -0.0392071  -0.179427   0.174298    74  ASN   A CA   
913  C C    . ASN   A 62  ? 0.813356 0.463322 1.17275  -0.0607445  -0.167061   0.1674      74  ASN   A C    
914  O O    . ASN   A 62  ? 0.876293 0.502228 1.28033  -0.0724384  -0.182573   0.15694     74  ASN   A O    
915  C CB   . ASN   A 62  ? 0.833787 0.402755 1.24755  -0.0493656  -0.203531   0.202793    74  ASN   A CB   
916  H H    . ASN   A 62  ? 0.834862 0.492655 1.1276   -0.0151166  -0.161472   0.181966    74  ASN   A H    
917  H HA   . ASN   A 62  ? 0.834658 0.443422 1.18507  -0.0179394  -0.186928   0.139542    74  ASN   A HA   
920  N N    . GLU   A 63  ? 0.746029 0.447997 1.06201  -0.0655202  -0.140835   0.171175    75  GLU   A N    
921  C CA   . GLU   A 63  ? 0.716852 0.452736 1.03886  -0.0869621  -0.126841   0.173589    75  GLU   A CA   
922  C C    . GLU   A 63  ? 0.610076 0.382562 0.885164 -0.0722988  -0.109486   0.142439    75  GLU   A C    
923  O O    . GLU   A 63  ? 0.567104 0.352922 0.799327 -0.0555803  -0.0995601  0.137047    75  GLU   A O    
924  C CB   . GLU   A 63  ? 0.734927 0.502727 1.06004  -0.114575   -0.109733   0.223432    75  GLU   A CB   
925  C CG   . GLU   A 63  ? 0.725133 0.536372 0.993616 -0.10895    -0.0864496  0.235175    75  GLU   A CG   
926  C CD   . GLU   A 63  ? 0.826032 0.684692 1.08377  -0.132675   -0.0646173  0.275628    75  GLU   A CD   
927  O OE1  . GLU   A 63  ? 0.778151 0.679659 0.990158 -0.129007   -0.044409   0.274691    75  GLU   A OE1  
928  O OE2  . GLU   A 63  ? 0.927299 0.779402 1.22497  -0.155463   -0.0689045  0.309861    75  GLU   A OE2  
929  H H    . GLU   A 63  ? 0.732991 0.449839 1.01671  -0.0540923  -0.132122   0.170341    75  GLU   A H    
930  H HA   . GLU   A 63  ? 0.724105 0.440428 1.08043  -0.0924775  -0.140273   0.161632    75  GLU   A HA   
931  H HB2  . GLU   A 63  ? 0.731836 0.517099 1.07439  -0.129462   -0.104106   0.22426     75  GLU   A HB2  
932  H HB3  . GLU   A 63  ? 0.768686 0.512731 1.11845  -0.122194   -0.12029    0.2483      75  GLU   A HB3  
933  H HG2  . GLU   A 63  ? 0.74937  0.545188 1.00613  -0.0971297  -0.0929853  0.239965    75  GLU   A HG2  
934  H HG3  . GLU   A 63  ? 0.710451 0.536724 0.955882 -0.0980298  -0.0791181  0.207956    75  GLU   A HG3  
935  N N    . PRO   A 64  ? 0.59288  0.382577 0.878055 -0.0782018  -0.10668    0.121821    76  PRO   A N    
936  C CA   . PRO   A 64  ? 0.524643 0.338601 0.77031  -0.0608656  -0.0956498  0.0912164   76  PRO   A CA   
937  C C    . PRO   A 64  ? 0.463338 0.31882  0.669266 -0.0642786  -0.0696356  0.107603    76  PRO   A C    
938  O O    . PRO   A 64  ? 0.478024 0.356608 0.69001  -0.0841575  -0.0572807  0.139338    76  PRO   A O    
939  C CB   . PRO   A 64  ? 0.542865 0.363913 0.815526 -0.0668758  -0.102663   0.0695726   76  PRO   A CB   
940  C CG   . PRO   A 64  ? 0.622245 0.425582 0.952966 -0.0910175  -0.116273   0.0894449   76  PRO   A CG   
941  C CD   . PRO   A 64  ? 0.636917 0.425028 0.973629 -0.10117    -0.114807   0.128237    76  PRO   A CD   
942  H HA   . PRO   A 64  ? 0.527349 0.324394 0.758489 -0.0424438  -0.103173   0.0729236   76  PRO   A HA   
943  H HB2  . PRO   A 64  ? 0.526262 0.378116 0.787012 -0.0711143  -0.0882071  0.0708099   76  PRO   A HB2  
944  H HB3  . PRO   A 64  ? 0.547589 0.354802 0.814031 -0.0510117  -0.113603   0.0423846   76  PRO   A HB3  
945  H HG2  . PRO   A 64  ? 0.601811 0.431107 0.947735 -0.105917   -0.107918   0.0975337   76  PRO   A HG2  
946  H HG3  . PRO   A 64  ? 0.625717 0.402595 0.977457 -0.0852877  -0.135381   0.0690972   76  PRO   A HG3  
947  H HD2  . PRO   A 64  ? 0.632189 0.445138 0.974455 -0.118935   -0.101555   0.155108    76  PRO   A HD2  
948  H HD3  . PRO   A 64  ? 0.661914 0.416246 1.02998  -0.103694   -0.132731   0.129573    76  PRO   A HD3  
949  N N    . PHE   A 65  ? 0.413072 0.27967  0.580384 -0.0451008  -0.0620343  0.0836627   77  PHE   A N    
950  C CA   . PHE   A 65  ? 0.407229 0.309976 0.538866 -0.0453841  -0.0402671  0.0874594   77  PHE   A CA   
951  C C    . PHE   A 65  ? 0.377507 0.304102 0.516167 -0.0489079  -0.032758   0.0719337   77  PHE   A C    
952  O O    . PHE   A 65  ? 0.358675 0.273444 0.503006 -0.0371827  -0.0435846  0.0466312   77  PHE   A O    
953  C CB   . PHE   A 65  ? 0.422845 0.322028 0.517043 -0.0249426  -0.037763   0.0731134   77  PHE   A CB   
954  C CG   . PHE   A 65  ? 0.377748 0.308931 0.439781 -0.0260366  -0.0185291  0.0741516   77  PHE   A CG   
955  C CD1  . PHE   A 65  ? 0.403515 0.354418 0.451554 -0.0363933  -0.00864957 0.0968501   77  PHE   A CD1  
956  C CD2  . PHE   A 65  ? 0.360935 0.303253 0.408676 -0.0173662  -0.0115868  0.0525363   77  PHE   A CD2  
957  C CE1  . PHE   A 65  ? 0.391242 0.370537 0.41139  -0.0368721  0.00666521  0.0923091   77  PHE   A CE1  
958  C CE2  . PHE   A 65  ? 0.350638 0.316729 0.374322 -0.0180867  0.00364465  0.0508174   77  PHE   A CE2  
959  C CZ   . PHE   A 65  ? 0.387361 0.372129 0.397765 -0.0278893  0.0127154   0.067919    77  PHE   A CZ   
960  H H    . PHE   A 65  ? 0.424374 0.274763 0.588517 -0.0310999  -0.0714644  0.0636006   77  PHE   A H    
961  H HA   . PHE   A 65  ? 0.412875 0.328702 0.543794 -0.0572938  -0.0327404  0.110397    77  PHE   A HA   
962  H HB2  . PHE   A 65  ? 0.421873 0.30808  0.516139 -0.0221825  -0.0434802  0.0829792   77  PHE   A HB2  
963  H HB3  . PHE   A 65  ? 0.406222 0.294907 0.499318 -0.013043   -0.0443496  0.0526512   77  PHE   A HB3  
964  H HD1  . PHE   A 65  ? 0.415294 0.359469 0.472499 -0.0422928  -0.0137053  0.114854    77  PHE   A HD1  
965  H HD2  . PHE   A 65  ? 0.360753 0.292604 0.415293 -0.00979654 -0.0188209  0.0382162   77  PHE   A HD2  
966  H HE1  . PHE   A 65  ? 0.399921 0.394413 0.408359 -0.0430571  0.0120264   0.105615    77  PHE   A HE1  
967  H HE2  . PHE   A 65  ? 0.346726 0.31627  0.363752 -0.0116152  0.00681508  0.0372614   77  PHE   A HE2  
968  H HZ   . PHE   A 65  ? 0.368819 0.369358 0.36341  -0.027961   0.0217443   0.0633986   77  PHE   A HZ   
969  N N    . VAL   A 66  ? 0.382288 0.344401 0.521052 -0.0637461  -0.0152824  0.0876503   78  VAL   A N    
970  C CA   . VAL   A 66  ? 0.376451 0.36637  0.532024 -0.0688316  -0.00766699 0.0771808   78  VAL   A CA   
971  C C    . VAL   A 66  ? 0.3673   0.386481 0.488569 -0.0618557  0.0115524   0.0699749   78  VAL   A C    
972  O O    . VAL   A 66  ? 0.378667 0.412686 0.476105 -0.0664514  0.0233566   0.0851379   78  VAL   A O    
973  C CB   . VAL   A 66  ? 0.385095 0.398118 0.581459 -0.0929672  -0.00293178 0.0999081   78  VAL   A CB   
974  C CG1  . VAL   A 66  ? 0.401549 0.449448 0.616792 -0.0946439  0.00563088  0.0856349   78  VAL   A CG1  
975  C CG2  . VAL   A 66  ? 0.431623 0.41127  0.669387 -0.103906   -0.0237556  0.110416    78  VAL   A CG2  
976  H H    . VAL   A 66  ? 0.386355 0.358119 0.514232 -0.0698497  -0.00790346 0.104936    78  VAL   A H    
977  H HA   . VAL   A 66  ? 0.371745 0.348814 0.534708 -0.0598939  -0.0180829  0.0585994   78  VAL   A HA   
978  H HB   . VAL   A 66  ? 0.401096 0.431528 0.585277 -0.100915   0.00902579  0.119155    78  VAL   A HB   
979  H HG11 . VAL   A 66  ? 0.387249 0.420746 0.610019 -0.0851322  -0.00637075 0.0661099   78  VAL   A HG11 
980  H HG12 . VAL   A 66  ? 0.381023 0.450025 0.57317  -0.0888502  0.0193958   0.0809399   78  VAL   A HG12 
981  H HG13 . VAL   A 66  ? 0.405279 0.470392 0.649807 -0.11065    0.00887023  0.100681    78  VAL   A HG13 
982  H HG21 . VAL   A 66  ? 0.434432 0.430822 0.702837 -0.119865   -0.0210433  0.122651    78  VAL   A HG21 
983  H HG22 . VAL   A 66  ? 0.438487 0.402053 0.668545 -0.105494   -0.026477   0.126035    78  VAL   A HG22 
984  H HG23 . VAL   A 66  ? 0.42435  0.382607 0.667102 -0.0930798  -0.0377548  0.089076    78  VAL   A HG23 
985  N N    . PHE   A 67  ? 0.346498 0.371167 0.463453 -0.0486315  0.0122607   0.0451255   79  PHE   A N    
986  C CA   . PHE   A 67  ? 0.304187 0.353684 0.397837 -0.0420902  0.0286873   0.0356381   79  PHE   A CA   
987  C C    . PHE   A 67  ? 0.302817 0.365712 0.413709 -0.0333919  0.0284231   0.015605    79  PHE   A C    
988  O O    . PHE   A 67  ? 0.311738 0.362719 0.445855 -0.0303505  0.0133507   0.00735027  79  PHE   A O    
989  C CB   . PHE   A 67  ? 0.312509 0.342972 0.368531 -0.0289473  0.0283496   0.028464    79  PHE   A CB   
990  C CG   . PHE   A 67  ? 0.340825 0.345328 0.389985 -0.0115609  0.0160935   0.0105054   79  PHE   A CG   
991  C CD1  . PHE   A 67  ? 0.378954 0.357496 0.435349 -0.00674323 -0.00015093 0.00889872  79  PHE   A CD1  
992  C CD2  . PHE   A 67  ? 0.325206 0.332128 0.360899 0.00093242  0.0203548   -0.00469666 79  PHE   A CD2  
993  C CE1  . PHE   A 67  ? 0.377199 0.339213 0.421633 0.0104323   -0.00980042 -0.00720333 79  PHE   A CE1  
994  C CE2  . PHE   A 67  ? 0.327646 0.314863 0.353894 0.0162372   0.010158    -0.015637   79  PHE   A CE2  
995  C CZ   . PHE   A 67  ? 0.318087 0.286327 0.346388 0.021109    -0.00396121 -0.0169664  79  PHE   A CZ   
996  H H    . PHE   A 67  ? 0.340046 0.351902 0.469399 -0.0431625  0.0011847   0.0338633   79  PHE   A H    
997  H HA   . PHE   A 67  ? 0.319688 0.392538 0.412912 -0.0521627  0.0402192   0.0475718   79  PHE   A HA   
998  H HB2  . PHE   A 67  ? 0.312706 0.359281 0.355336 -0.0278213  0.0390686   0.0244378   79  PHE   A HB2  
999  H HB3  . PHE   A 67  ? 0.323246 0.344883 0.37232  -0.0331132  0.0258358   0.0407126   79  PHE   A HB3  
1000 H HD1  . PHE   A 67  ? 0.379759 0.352257 0.44839  -0.0145301  -0.00475013 0.0189102   79  PHE   A HD1  
1001 H HD2  . PHE   A 67  ? 0.325354 0.347785 0.357846 -0.00075205 0.0302595   -0.00683171 79  PHE   A HD2  
1002 H HE1  . PHE   A 67  ? 0.372047 0.319002 0.419859 0.0151476   -0.0206689  -0.0111008  79  PHE   A HE1  
1003 H HE2  . PHE   A 67  ? 0.320216 0.307928 0.338779 0.0238047   0.0127561   -0.0222698  79  PHE   A HE2  
1004 H HZ   . PHE   A 67  ? 0.335012 0.294271 0.353986 0.0322939   -0.01009    -0.0245704  79  PHE   A HZ   
1005 N N    . SER   A 68  ? 0.308768 0.398839 0.41131  -0.0294672  0.0438587   0.00744656  80  SER   A N    
1006 C CA   . SER   A 68  ? 0.322192 0.425733 0.442204 -0.018056   0.043558    -0.0112934  80  SER   A CA   
1007 C C    . SER   A 68  ? 0.298807 0.374329 0.391994 0.00105391  0.0370684   -0.0259888  80  SER   A C    
1008 O O    . SER   A 68  ? 0.307527 0.377213 0.373524 0.00443614  0.0449311   -0.0276609  80  SER   A O    
1009 C CB   . SER   A 68  ? 0.343961 0.490689 0.473305 -0.020074   0.0627025   -0.0157606  80  SER   A CB   
1010 O OG   . SER   A 68  ? 0.380574 0.559268 0.540443 -0.0381521  0.0693401   0.00026363  80  SER   A OG   
1011 H H    . SER   A 68  ? 0.312799 0.413505 0.399189 -0.0328734  0.0538143   0.0125911   80  SER   A H    
1012 H HA   . SER   A 68  ? 0.318692 0.421145 0.462736 -0.0201849  0.0337821   -0.0118691  80  SER   A HA   
1013 H HB2  . SER   A 68  ? 0.348475 0.497845 0.45428  -0.0195937  0.0715546   -0.0157188  80  SER   A HB2  
1014 H HB3  . SER   A 68  ? 0.341946 0.49338  0.481134 -0.00909225 0.0612619   -0.029724   80  SER   A HB3  
1016 N N    . LEU   A 69  ? 0.299335 0.361742 0.402647 0.012843    0.0226354   -0.0360311  81  LEU   A N    
1017 C CA   . LEU   A 69  ? 0.281412 0.317598 0.358567 0.0292913   0.0161551   -0.0432579  81  LEU   A CA   
1018 C C    . LEU   A 69  ? 0.275021 0.318774 0.348024 0.0389295   0.0261378   -0.0527721  81  LEU   A C    
1019 O O    . LEU   A 69  ? 0.311605 0.379224 0.40876  0.0422809   0.0305941   -0.0613482  81  LEU   A O    
1020 C CB   . LEU   A 69  ? 0.331194 0.357231 0.418084 0.0398528   -0.00259992 -0.0501757  81  LEU   A CB   
1021 C CG   . LEU   A 69  ? 0.380406 0.382776 0.438147 0.0567766   -0.0100051  -0.0527523  81  LEU   A CG   
1022 C CD1  . LEU   A 69  ? 0.408912 0.391039 0.438947 0.0550185   -0.00973999 -0.0454108  81  LEU   A CD1  
1023 C CD2  . LEU   A 69  ? 0.454031 0.458504 0.52384  0.0683033   -0.0284304  -0.061431   81  LEU   A CD2  
1024 H H    . LEU   A 69  ? 0.296527 0.367899 0.423193 0.0103708   0.0164817   -0.0374712  81  LEU   A H    
1025 H HA   . LEU   A 69  ? 0.292573 0.314    0.349998 0.0271768   0.0166715   -0.03725    81  LEU   A HA   
1026 H HB2  . LEU   A 69  ? 0.331511 0.35259  0.424816 0.0333386   -0.00967014 -0.0471348  81  LEU   A HB2  
1027 H HB3  . LEU   A 69  ? 0.329663 0.372188 0.437974 0.0422127   -0.00398282 -0.055956   81  LEU   A HB3  
1028 H HG   . LEU   A 69  ? 0.387545 0.390435 0.440097 0.0616888   -0.00309648 -0.0537705  81  LEU   A HG   
1029 H HD11 . LEU   A 69  ? 0.394382 0.377248 0.416802 0.048831    0.00079343  -0.0403778  81  LEU   A HD11 
1030 H HD12 . LEU   A 69  ? 0.405605 0.37748  0.419411 0.0655147   -0.0143181  -0.0461223  81  LEU   A HD12 
1031 H HD13 . LEU   A 69  ? 0.402234 0.382299 0.439592 0.0499972   -0.0159625  -0.0450575  81  LEU   A HD13 
1032 H HD21 . LEU   A 69  ? 0.429091 0.448949 0.519102 0.0700112   -0.0281964  -0.0656949  81  LEU   A HD21 
1033 H HD22 . LEU   A 69  ? 0.432923 0.436372 0.510967 0.0631275   -0.0364986  -0.0632178  81  LEU   A HD22 
1034 H HD23 . LEU   A 69  ? 0.438996 0.431808 0.488911 0.0795048   -0.0331164  -0.0610549  81  LEU   A HD23 
1035 N N    . GLY   A 70  ? 0.325478 0.348363 0.371105 0.0435014   0.0286754   -0.0517532  82  GLY   A N    
1036 C CA   . GLY   A 70  ? 0.34833  0.363857 0.389902 0.0545442   0.0322917   -0.0607359  82  GLY   A CA   
1037 C C    . GLY   A 70  ? 0.434718 0.470505 0.480091 0.0498513   0.0469494   -0.070288   82  GLY   A C    
1038 O O    . GLY   A 70  ? 0.504532 0.537257 0.557609 0.0609957   0.0486142   -0.0829865  82  GLY   A O    
1039 H H    . GLY   A 70  ? 0.314528 0.326654 0.345705 0.039187    0.0275236   -0.0448489  82  GLY   A H    
1040 H HA2  . GLY   A 70  ? 0.363389 0.359635 0.387408 0.056727    0.0300923   -0.05642    82  GLY   A HA2  
1041 H HA3  . GLY   A 70  ? 0.364236 0.380515 0.419    0.0641717   0.0260701   -0.065251   82  GLY   A HA3  
1042 N N    . LYS   A 71  ? 0.379836 0.437127 0.421025 0.0349374   0.056311    -0.06422    83  LYS   A N    
1043 C CA   . LYS   A 71  ? 0.401233 0.484555 0.43775  0.0300777   0.071174    -0.0731023  83  LYS   A CA   
1044 C C    . LYS   A 71  ? 0.409093 0.476733 0.415102 0.0241089   0.0720884   -0.070223   83  LYS   A C    
1045 O O    . LYS   A 71  ? 0.411558 0.496204 0.405331 0.0201027   0.0809772   -0.0784713  83  LYS   A O    
1046 C CB   . LYS   A 71  ? 0.325139 0.446856 0.381396 0.0194449   0.0792965   -0.0654405  83  LYS   A CB   
1047 H H    . LYS   A 71  ? 0.387446 0.443085 0.42763  0.0281296   0.0526443   -0.0538984  83  LYS   A H    
1048 H HA   . LYS   A 71  ? 0.390948 0.476498 0.436331 0.0399528   0.0731545   -0.087171   83  LYS   A HA   
1051 N N    . GLY   A 72  ? 0.465669 0.501752 0.459061 0.0253953   0.0620847   -0.0613615  84  GLY   A N    
1052 C CA   . GLY   A 72  ? 0.536442 0.564153 0.506754 0.0179034   0.0622168   -0.0563644  84  GLY   A CA   
1053 C C    . GLY   A 72  ? 0.554263 0.60515  0.512788 0.00437129  0.0672125   -0.0442524  84  GLY   A C    
1054 O O    . GLY   A 72  ? 0.503103 0.557962 0.443569 -0.00109903 0.0684175   -0.0449087  84  GLY   A O    
1055 H H    . GLY   A 72  ? 0.458626 0.480978 0.457953 0.031321    0.0550418   -0.05848    84  GLY   A H    
1056 H HA2  . GLY   A 72  ? 0.516603 0.525246 0.482592 0.0199759   0.0555549   -0.0488658  84  GLY   A HA2  
1057 H HA3  . GLY   A 72  ? 0.530496 0.556239 0.497833 0.0202061   0.06462     -0.0681799  84  GLY   A HA3  
1058 N N    . GLN   A 73  ? 0.426343 0.490689 0.397108 -0.00146329 0.0678771   -0.0312736  85  GLN   A N    
1059 C CA   . GLN   A 73  ? 0.403908 0.479488 0.367698 -0.0140259  0.0681967   -0.0109766  85  GLN   A CA   
1060 C C    . GLN   A 73  ? 0.378538 0.428249 0.331053 -0.0136792  0.0572309   0.00071964  85  GLN   A C    
1061 O O    . GLN   A 73  ? 0.352618 0.408912 0.296278 -0.0219172  0.0557777   0.0171281   85  GLN   A O    
1062 C CB   . GLN   A 73  ? 0.374248 0.462318 0.363092 -0.0208896  0.0686247   0.00104788  85  GLN   A CB   
1063 C CG   . GLN   A 73  ? 0.382715 0.511328 0.382777 -0.0249749  0.0834303   -0.00435605 85  GLN   A CG   
1064 C CD   . GLN   A 73  ? 0.348754 0.491811 0.382274 -0.0330903  0.083478    0.00717164  85  GLN   A CD   
1065 O OE1  . GLN   A 73  ? 0.355801 0.476979 0.40353  -0.0377819  0.0711901   0.0198601   85  GLN   A OE1  
1066 N NE2  . GLN   A 73  ? 0.408939 0.591935 0.45912  -0.0353524  0.0971665   0.0019867   85  GLN   A NE2  
1067 H H    . GLN   A 73  ? 0.441735 0.5074   0.428334 0.002409    0.0670192   -0.0344395  85  GLN   A H    
1068 H HA   . GLN   A 73  ? 0.408295 0.503792 0.360199 -0.0186697  0.0753513   -0.0121399  85  GLN   A HA   
1069 H HB2  . GLN   A 73  ? 0.374019 0.446296 0.375737 -0.0149454  0.0613581   -0.00312476 85  GLN   A HB2  
1070 H HB3  . GLN   A 73  ? 0.385142 0.471641 0.37225  -0.0285575  0.0657014   0.0170201   85  GLN   A HB3  
1071 H HG2  . GLN   A 73  ? 0.384697 0.532432 0.369778 -0.0312433  0.0906897   0.00127814  85  GLN   A HG2  
1072 H HG3  . GLN   A 73  ? 0.372939 0.502555 0.374494 -0.0157606  0.0860265   -0.0217959  85  GLN   A HG3  
1073 H HE21 . GLN   A 73  ? 0.391695 0.587842 0.464104 -0.0424411  0.0982021   0.0106923   85  GLN   A HE21 
1074 H HE22 . GLN   A 73  ? 0.39444  0.592334 0.435271 -0.0296233  0.105344    -0.0109272  85  GLN   A HE22 
1075 N N    . VAL   A 74  ? 0.286778 0.310637 0.24032  -0.00308267 0.0499028   -0.00646214 86  VAL   A N    
1076 C CA   . VAL   A 74  ? 0.307299 0.3119   0.252735 0.00050298  0.0415384   0.00132268  86  VAL   A CA   
1077 C C    . VAL   A 74  ? 0.310712 0.303928 0.24715  0.00710422  0.0420092   -0.00797865 86  VAL   A C    
1078 O O    . VAL   A 74  ? 0.317086 0.310702 0.256468 0.00975332  0.0462685   -0.0202783  86  VAL   A O    
1079 C CB   . VAL   A 74  ? 0.316595 0.304996 0.275391 0.00713651  0.0319468   0.00395328  86  VAL   A CB   
1080 C CG1  . VAL   A 74  ? 0.338673 0.332896 0.312178 -0.00263031 0.0288724   0.0168386   86  VAL   A CG1  
1081 C CG2  . VAL   A 74  ? 0.33645  0.319986 0.305171 0.0163351   0.030248    -0.00864811 86  VAL   A CG2  
1082 H H    . VAL   A 74  ? 0.310404 0.330888 0.270403 0.00285356  0.0505693   -0.0160742  86  VAL   A H    
1083 H HA   . VAL   A 74  ? 0.309519 0.32048  0.248629 -0.00527407 0.0412521   0.0103629   86  VAL   A HA   
1084 H HB   . VAL   A 74  ? 0.320407 0.297966 0.272692 0.012311    0.0274797   0.00599866  86  VAL   A HB   
1085 H HG11 . VAL   A 74  ? 0.335204 0.344327 0.31651  -0.00840724 0.0345969   0.0163734   86  VAL   A HG11 
1086 H HG12 . VAL   A 74  ? 0.338397 0.33503  0.304945 -0.00716192 0.0288431   0.0267397   86  VAL   A HG12 
1087 H HG13 . VAL   A 74  ? 0.335287 0.316769 0.318714 0.00157143  0.0207219   0.0159155   86  VAL   A HG13 
1088 H HG21 . VAL   A 74  ? 0.33011  0.303781 0.303406 0.0216879   0.0224755   -0.00893475 86  VAL   A HG21 
1089 H HG22 . VAL   A 74  ? 0.328845 0.307856 0.289712 0.021247    0.0324306   -0.013665   86  VAL   A HG22 
1090 H HG23 . VAL   A 74  ? 0.329526 0.325647 0.308949 0.0122816   0.0340815   -0.0111244  86  VAL   A HG23 
1091 N N    . ILE   A 75  ? 0.3143   0.298461 0.243561 0.00963797  0.0376819   -0.00132973 87  ILE   A N    
1092 C CA   . ILE   A 75  ? 0.309502 0.284313 0.234992 0.0134123   0.0386096   -0.00524344 87  ILE   A CA   
1093 C C    . ILE   A 75  ? 0.306936 0.267833 0.237952 0.023835    0.0374259   -0.0100308  87  ILE   A C    
1094 O O    . ILE   A 75  ? 0.314578 0.272812 0.250291 0.0303809   0.0330055   -0.0101431  87  ILE   A O    
1095 C CB   . ILE   A 75  ? 0.297138 0.272186 0.218134 0.0147752   0.0356758   0.00460694  87  ILE   A CB   
1096 C CG1  . ILE   A 75  ? 0.305843 0.274967 0.228232 0.0249299   0.0301336   0.00995941  87  ILE   A CG1  
1097 C CG2  . ILE   A 75  ? 0.351267 0.342317 0.268012 0.00475138  0.0349795   0.00876406  87  ILE   A CG2  
1098 C CD1  . ILE   A 75  ? 0.327565 0.301105 0.247582 0.0306653   0.0291232   0.0165928   87  ILE   A CD1  
1099 H H    . ILE   A 75  ? 0.31127  0.295981 0.24011  0.00883032  0.0342645   0.00653652  87  ILE   A H    
1100 H HA   . ILE   A 75  ? 0.312797 0.292705 0.23682  0.00810057  0.0416748   -0.011185   87  ILE   A HA   
1101 H HB   . ILE   A 75  ? 0.312073 0.282369 0.233262 0.0163479   0.0371936   0.0041636   87  ILE   A HB   
1102 H HG12 . ILE   A 75  ? 0.30834  0.279634 0.233913 0.0221324   0.0274879   0.0123439   87  ILE   A HG12 
1103 H HG13 . ILE   A 75  ? 0.30887  0.270548 0.232137 0.0312841   0.0292424   0.00605039  87  ILE   A HG13 
1104 H HG21 . ILE   A 75  ? 0.333735 0.327182 0.251024 0.0057619   0.0333853   0.0134945   87  ILE   A HG21 
1105 H HG22 . ILE   A 75  ? 0.335111 0.33056  0.251471 0.003529    0.032997    0.0137723   87  ILE   A HG22 
1106 H HG23 . ILE   A 75  ? 0.338964 0.334851 0.253717 -0.00107407 0.0374554   0.00174985  87  ILE   A HG23 
1107 H HD11 . ILE   A 75  ? 0.322069 0.296736 0.240636 0.0302397   0.0328973   0.0171667   87  ILE   A HD11 
1108 H HD12 . ILE   A 75  ? 0.323244 0.292371 0.243266 0.0398278   0.0258118   0.0158529   87  ILE   A HD12 
1109 H HD13 . ILE   A 75  ? 0.320921 0.302315 0.242235 0.0260065   0.0276999   0.0209585   87  ILE   A HD13 
1110 N N    . LYS   A 76  ? 0.352358 0.303485 0.284356 0.0252365   0.039314    -0.0126499  88  LYS   A N    
1111 C CA   . LYS   A 76  ? 0.326683 0.264135 0.263974 0.0353219   0.0372675   -0.014114   88  LYS   A CA   
1112 C C    . LYS   A 76  ? 0.326692 0.261831 0.256243 0.0459893   0.0322262   -0.00542842 88  LYS   A C    
1113 O O    . LYS   A 76  ? 0.324465 0.255987 0.256444 0.0558822   0.0269974   -0.0079474  88  LYS   A O    
1114 C CB   . LYS   A 76  ? 0.375279 0.298994 0.317697 0.0328089   0.0388768   -0.0135077  88  LYS   A CB   
1115 H H    . LYS   A 76  ? 0.337703 0.290421 0.26842  0.0193498   0.0408979   -0.0125282  88  LYS   A H    
1116 H HA   . LYS   A 76  ? 0.338738 0.279126 0.283017 0.037065    0.0372458   -0.0219536  88  LYS   A HA   
1119 N N    . ALA   A 77  ? 0.352225 0.29209  0.272595 0.0458455   0.0330294   0.0032134   89  ALA   A N    
1120 C CA   . ALA   A 77  ? 0.33673  0.278349 0.246729 0.0585611   0.0289159   0.00739308  89  ALA   A CA   
1121 C C    . ALA   A 77  ? 0.37407  0.31575  0.28722  0.0645446   0.0203211   -0.0020795  89  ALA   A C    
1122 O O    . ALA   A 77  ? 0.367882 0.308441 0.274527 0.0768562   0.0135312   -0.00521896 89  ALA   A O    
1123 C CB   . ALA   A 77  ? 0.350147 0.302128 0.253819 0.0592198   0.0319936   0.0142478   89  ALA   A CB   
1124 H H    . ALA   A 77  ? 0.338513 0.282762 0.259252 0.0387352   0.0358895   0.00520894  89  ALA   A H    
1125 H HA   . ALA   A 77  ? 0.359428 0.296684 0.265606 0.0642516   0.0288117   0.0115573   89  ALA   A HA   
1126 H HB1  . ALA   A 77  ? 0.349063 0.303057 0.253009 0.055261    0.0369971   0.0215049   89  ALA   A HB1  
1127 H HB2  . ALA   A 77  ? 0.33868  0.294035 0.246883 0.0538233   0.0312539   0.0120786   89  ALA   A HB2  
1128 H HB3  . ALA   A 77  ? 0.351465 0.30644  0.247561 0.0694244   0.0293504   0.013615    89  ALA   A HB3  
1129 N N    . TRP   A 78  ? 0.340246 0.284562 0.264795 0.0549074   0.0197309   -0.00616903 90  TRP   A N    
1130 C CA   . TRP   A 78  ? 0.340773 0.284199 0.276047 0.0567929   0.0110517   -0.01292    90  TRP   A CA   
1131 C C    . TRP   A 78  ? 0.337674 0.28255  0.284364 0.059051    0.00808612  -0.0200837  90  TRP   A C    
1132 O O    . TRP   A 78  ? 0.348027 0.292004 0.301409 0.065934    -0.00267686 -0.0270415  90  TRP   A O    
1133 C CB   . TRP   A 78  ? 0.307236 0.254797 0.25298  0.0444625   0.0118379   -0.0088182  90  TRP   A CB   
1134 C CG   . TRP   A 78  ? 0.318485 0.261462 0.262828 0.0469161   0.00664222  -0.00440503 90  TRP   A CG   
1135 C CD1  . TRP   A 78  ? 0.32677  0.271351 0.259955 0.053265    0.00855481  -0.00064037 90  TRP   A CD1  
1136 C CD2  . TRP   A 78  ? 0.302549 0.238434 0.26316  0.0437539   -0.00263119 -0.00348861 90  TRP   A CD2  
1137 N NE1  . TRP   A 78  ? 0.327571 0.266421 0.268055 0.0573607   0.00068598  0.00010024  90  TRP   A NE1  
1138 C CE2  . TRP   A 78  ? 0.306498 0.236562 0.264148 0.0508134   -0.00703489 -0.00076011 90  TRP   A CE2  
1139 C CE3  . TRP   A 78  ? 0.312639 0.247816 0.294114 0.0345245   -0.00731898 -0.00316286 90  TRP   A CE3  
1140 C CZ2  . TRP   A 78  ? 0.356703 0.273568 0.331642 0.0507189   -0.0182626  0.00088712  90  TRP   A CZ2  
1141 C CZ3  . TRP   A 78  ? 0.370401 0.293995 0.369768 0.0305313   -0.0173253  0.00188244  90  TRP   A CZ3  
1142 C CH2  . TRP   A 78  ? 0.366516 0.277804 0.362387 0.0394425   -0.0237838  0.00323671  90  TRP   A CH2  
1143 H H    . TRP   A 78  ? 0.341068 0.288857 0.267307 0.0465934   0.0243379   -0.00400946 90  TRP   A H    
1144 H HA   . TRP   A 78  ? 0.340916 0.28137  0.270782 0.0654946   0.00526699  -0.0151836  90  TRP   A HA   
1145 H HB2  . TRP   A 78  ? 0.311523 0.265105 0.255242 0.0371162   0.0187822   -0.005683   90  TRP   A HB2  
1146 H HB3  . TRP   A 78  ? 0.315533 0.264693 0.273667 0.041338    0.00871565  -0.0116989  90  TRP   A HB3  
1147 H HD1  . TRP   A 78  ? 0.321406 0.270387 0.245873 0.0551701   0.0139532   0.00115442  90  TRP   A HD1  
1148 H HE1  . TRP   A 78  ? 0.325428 0.266378 0.262943 0.0627589   0.00053923  0.00150813  90  TRP   A HE1  
1149 H HE3  . TRP   A 78  ? 0.316614 0.259549 0.302566 0.0306404   -0.00368891 -0.00540332 90  TRP   A HE3  
1150 H HZ2  . TRP   A 78  ? 0.355211 0.267747 0.330272 0.057454    -0.0218332  0.00153125  90  TRP   A HZ2  
1151 H HZ3  . TRP   A 78  ? 0.359311 0.282702 0.376231 0.022676    -0.0207439  0.00377127  90  TRP   A HZ3  
1152 H HH2  . TRP   A 78  ? 0.379219 0.279023 0.39019  0.0376562   -0.0321586  0.00618083  90  TRP   A HH2  
1153 N N    . ASP   A 79  ? 0.322846 0.271545 0.275009 0.0538425   0.0158619   -0.0209552  91  ASP   A N    
1154 C CA   . ASP   A 79  ? 0.30145  0.254069 0.268244 0.0589106   0.0133118   -0.0285566  91  ASP   A CA   
1155 C C    . ASP   A 79  ? 0.384126 0.328003 0.341657 0.0742985   0.0043836   -0.0273083  91  ASP   A C    
1156 O O    . ASP   A 79  ? 0.368432 0.317079 0.336603 0.0819644   -0.00524779 -0.033527   91  ASP   A O    
1157 C CB   . ASP   A 79  ? 0.334616 0.291622 0.308984 0.0548881   0.022693    -0.0333803  91  ASP   A CB   
1158 C CG   . ASP   A 79  ? 0.326468 0.303499 0.311664 0.0424246   0.0308608   -0.0372712  91  ASP   A CG   
1159 O OD1  . ASP   A 79  ? 0.312666 0.29946  0.308749 0.037191    0.0273832   -0.0343048  91  ASP   A OD1  
1160 O OD2  . ASP   A 79  ? 0.337245 0.320277 0.321001 0.0386315   0.0396014   -0.0434118  91  ASP   A OD2  
1161 H H    . ASP   A 79  ? 0.318028 0.267811 0.266149 0.0479296   0.0220795   -0.0182557  91  ASP   A H    
1162 H HA   . ASP   A 79  ? 0.321399 0.281592 0.300749 0.0559685   0.00989542  -0.0318581  91  ASP   A HA   
1163 H HB2  . ASP   A 79  ? 0.328962 0.278198 0.293423 0.0534593   0.026272    -0.0300519  91  ASP   A HB2  
1164 H HB3  . ASP   A 79  ? 0.331378 0.287512 0.314389 0.062431    0.0198028   -0.0377     91  ASP   A HB3  
1165 N N    . ILE   A 80  ? 0.341116 0.275992 0.279905 0.0782189   0.00761539  -0.0177155  92  ILE   A N    
1166 C CA   . ILE   A 80  ? 0.379687 0.310609 0.303929 0.0925122   0.00106247  -0.0111402  92  ILE   A CA   
1167 C C    . ILE   A 80  ? 0.346218 0.284068 0.258544 0.101902    -0.00920298 -0.0168578  92  ILE   A C    
1168 O O    . ILE   A 80  ? 0.357335 0.299137 0.268064 0.11313     -0.0209173  -0.0221144  92  ILE   A O    
1169 C CB   . ILE   A 80  ? 0.386875 0.310698 0.297473 0.0914287   0.00941022  0.00452705  92  ILE   A CB   
1170 C CG1  . ILE   A 80  ? 0.437285 0.348692 0.36286  0.0847601   0.0147608   0.00672537  92  ILE   A CG1  
1171 C CG2  . ILE   A 80  ? 0.457425 0.383661 0.347662 0.106014    0.00442317  0.016434    92  ILE   A CG2  
1172 C CD1  . ILE   A 80  ? 0.476661 0.382015 0.39797  0.07538     0.0234693   0.0194384   92  ILE   A CD1  
1173 H H    . ILE   A 80  ? 0.353082 0.286614 0.288296 0.071411    0.0141637   -0.0140121  92  ILE   A H    
1174 H HA   . ILE   A 80  ? 0.372543 0.302292 0.305375 0.0974866   -0.00308484 -0.0131962  92  ILE   A HA   
1175 H HB   . ILE   A 80  ? 0.397823 0.325319 0.303865 0.0856447   0.0142332   0.00583888  92  ILE   A HB   
1176 H HG12 . ILE   A 80  ? 0.444742 0.350271 0.373522 0.0926791   0.0100226   0.00967132  92  ILE   A HG12 
1177 H HG13 . ILE   A 80  ? 0.421902 0.336054 0.359039 0.0787955   0.0165494   -0.00362618 92  ILE   A HG13 
1178 H HG21 . ILE   A 80  ? 0.451837 0.372936 0.339059 0.103986    0.00983578  0.0293283   92  ILE   A HG21 
1179 H HG22 . ILE   A 80  ? 0.449609 0.375331 0.342849 0.113706    -0.00353863 0.0133915   92  ILE   A HG22 
1180 H HG23 . ILE   A 80  ? 0.44285  0.377934 0.320728 0.109966    0.00340975  0.0143733   92  ILE   A HG23 
1181 H HD11 . ILE   A 80  ? 0.454699 0.368064 0.372783 0.0690079   0.0270359   0.0171036   92  ILE   A HD11 
1182 H HD12 . ILE   A 80  ? 0.470218 0.36564  0.403571 0.0704758   0.0251758   0.0171741   92  ILE   A HD12 
1183 H HD13 . ILE   A 80  ? 0.478474 0.383277 0.389925 0.0806859   0.0232326   0.032151    92  ILE   A HD13 
1184 N N    . GLY   A 81  ? 0.340668 0.280379 0.247815 0.0978753   -0.00691689 -0.0189389  93  GLY   A N    
1185 C CA   . GLY   A 81  ? 0.353397 0.297337 0.24816  0.109486    -0.0164847  -0.0275343  93  GLY   A CA   
1186 C C    . GLY   A 81  ? 0.372017 0.314747 0.285059 0.109344    -0.0310744  -0.0437766  93  GLY   A C    
1187 O O    . GLY   A 81  ? 0.350737 0.297483 0.255563 0.122401    -0.0444671  -0.0548476  93  GLY   A O    
1188 H H    . GLY   A 81  ? 0.331446 0.270029 0.243282 0.0887086   -5.808e-05  -0.0160678  93  GLY   A H    
1189 H HA2  . GLY   A 81  ? 0.370914 0.319221 0.24981  0.119994    -0.0185063  -0.024479   93  GLY   A HA2  
1190 H HA3  . GLY   A 81  ? 0.354504 0.299134 0.244797 0.107774    -0.0118246  -0.0257848  93  GLY   A HA3  
1191 N N    . VAL   A 82  ? 0.344269 0.284055 0.283086 0.0935443   -0.0287832  -0.0443303  94  VAL   A N    
1192 C CA   . VAL   A 82  ? 0.339368 0.27882  0.302752 0.0896284   -0.0422743  -0.0561827  94  VAL   A CA   
1193 C C    . VAL   A 82  ? 0.357472 0.306473 0.331469 0.0952186   -0.0513076  -0.0628405  94  VAL   A C    
1194 O O    . VAL   A 82  ? 0.398021 0.349352 0.38712  0.0976844   -0.0675721  -0.0761028  94  VAL   A O    
1195 C CB   . VAL   A 82  ? 0.347923 0.286536 0.335984 0.0707009   -0.0364832  -0.049708   94  VAL   A CB   
1196 C CG1  . VAL   A 82  ? 0.412049 0.350941 0.432647 0.0626604   -0.0496562  -0.0574642  94  VAL   A CG1  
1197 C CG2  . VAL   A 82  ? 0.361044 0.290615 0.338276 0.068967    -0.031797   -0.0429903  94  VAL   A CG2  
1198 H H    . VAL   A 82  ? 0.335419 0.275041 0.276597 0.0850713   -0.0192048  -0.0368678  94  VAL   A H    
1199 H HA   . VAL   A 82  ? 0.359256 0.294245 0.317039 0.096767    -0.050909   -0.0642852  94  VAL   A HA   
1200 H HB   . VAL   A 82  ? 0.346075 0.291787 0.336691 0.0647828   -0.0267999  -0.0435518  94  VAL   A HB   
1201 H HG11 . VAL   A 82  ? 0.40644  0.338251 0.425151 0.070856    -0.0619698  -0.0680767  94  VAL   A HG11 
1202 H HG12 . VAL   A 82  ? 0.389442 0.339182 0.422488 0.0606838   -0.0499366  -0.0592839  94  VAL   A HG12 
1203 H HG13 . VAL   A 82  ? 0.390438 0.32691  0.423139 0.0512494   -0.0461107  -0.0499254  94  VAL   A HG13 
1204 H HG21 . VAL   A 82  ? 0.353856 0.282679 0.345414 0.0575812   -0.0298255  -0.0368988  94  VAL   A HG21 
1205 H HG22 . VAL   A 82  ? 0.351347 0.283654 0.312974 0.0707169   -0.0224971  -0.0366372  94  VAL   A HG22 
1206 H HG23 . VAL   A 82  ? 0.368422 0.291429 0.341234 0.0778465   -0.0405595  -0.0510069  94  VAL   A HG23 
1207 N N    . ALA   A 83  ? 0.358936 0.312582 0.328379 0.0976285   -0.0427071  -0.0546446  95  ALA   A N    
1208 C CA   . ALA   A 83  ? 0.36358  0.326584 0.342783 0.107032    -0.0525046  -0.0592469  95  ALA   A CA   
1209 C C    . ALA   A 83  ? 0.441919 0.407395 0.400141 0.124769    -0.0691685  -0.0659617  95  ALA   A C    
1210 O O    . ALA   A 83  ? 0.46249  0.439041 0.436224 0.130927    -0.0843572  -0.0751221  95  ALA   A O    
1211 C CB   . ALA   A 83  ? 0.423604 0.385512 0.401619 0.110033    -0.0422207  -0.0491651  95  ALA   A CB   
1212 H H    . ALA   A 83  ? 0.350154 0.300622 0.312397 0.0937059   -0.0316515  -0.0464687  95  ALA   A H    
1213 H HA   . ALA   A 83  ? 0.379563 0.35033  0.383866 0.100274    -0.0568081  -0.0656752  95  ALA   A HA   
1214 H HB1  . ALA   A 83  ? 0.391438 0.354713 0.381917 0.100056    -0.0323796  -0.0482674  95  ALA   A HB1  
1215 H HB2  . ALA   A 83  ? 0.409594 0.3637   0.366466 0.114742    -0.0381163  -0.0407767  95  ALA   A HB2  
1216 H HB3  . ALA   A 83  ? 0.410181 0.378491 0.397595 0.117563    -0.0501927  -0.0521614  95  ALA   A HB3  
1217 N N    . THR   A 84  ? 0.428519 0.389063 0.353955 0.133121    -0.0669791  -0.0630328  96  THR   A N    
1218 C CA   . THR   A 84  ? 0.453766 0.423066 0.351763 0.152304    -0.0812843  -0.0699919  96  THR   A CA   
1219 C C    . THR   A 84  ? 0.427339 0.397705 0.329929 0.155844    -0.0982924  -0.094043   96  THR   A C    
1220 O O    . THR   A 84  ? 0.504413 0.485285 0.383732 0.172752    -0.112427   -0.105442   96  THR   A O    
1221 C CB   . THR   A 84  ? 0.457204 0.428446 0.317193 0.161476    -0.0692862  -0.0554867  96  THR   A CB   
1222 O OG1  . THR   A 84  ? 0.480082 0.446725 0.337754 0.156843    -0.062504   -0.0620514  96  THR   A OG1  
1223 C CG2  . THR   A 84  ? 0.465345 0.430012 0.324999 0.155399    -0.0533775  -0.0314098  96  THR   A CG2  
1224 H H    . THR   A 84  ? 0.42486  0.379744 0.344433 0.127538    -0.0563162  -0.0568712  96  THR   A H    
1225 H HA   . THR   A 84  ? 0.452491 0.428077 0.353578 0.158239    -0.0886889  -0.0685953  96  THR   A HA   
1226 H HB   . THR   A 84  ? 0.489441 0.470838 0.328651 0.175096    -0.0778826  -0.0581469  96  THR   A HB   
1228 H HG21 . THR   A 84  ? 0.472768 0.441539 0.310027 0.161459    -0.0476464  -0.0201981  96  THR   A HG21 
1229 H HG22 . THR   A 84  ? 0.441537 0.398621 0.315426 0.143192    -0.0440127  -0.0298502  96  THR   A HG22 
1230 H HG23 . THR   A 84  ? 0.463262 0.427954 0.332279 0.157872    -0.0589153  -0.0289303  96  THR   A HG23 
1231 N N    . MET   A 85  ? 0.405542 0.365739 0.338836 0.140672    -0.0991368  -0.101995   97  MET   A N    
1232 C CA   . MET   A 85  ? 0.435758 0.388481 0.378005 0.142438    -0.114806   -0.123711   97  MET   A CA   
1233 C C    . MET   A 85  ? 0.482166 0.438539 0.460629 0.136619    -0.136585   -0.140808   97  MET   A C    
1234 O O    . MET   A 85  ? 0.442447 0.406021 0.451194 0.12382     -0.134058   -0.132852   97  MET   A O    
1235 C CB   . MET   A 85  ? 0.405578 0.341464 0.362198 0.129347    -0.104708   -0.118672   97  MET   A CB   
1236 C CG   . MET   A 85  ? 0.430418 0.366075 0.356832 0.135027    -0.0860182  -0.105007   97  MET   A CG   
1237 S SD   . MET   A 85  ? 0.441694 0.360161 0.388864 0.120147    -0.0772558  -0.0969586  97  MET   A SD   
1238 C CE   . MET   A 85  ? 0.444963 0.347755 0.405004 0.130661    -0.100132   -0.124824   97  MET   A CE   
1239 H H    . MET   A 85  ? 0.39369  0.350992 0.344121 0.128621    -0.0899117  -0.0931801  97  MET   A H    
1240 H HA   . MET   A 85  ? 0.456292 0.413751 0.372048 0.15741     -0.119715   -0.131761   97  MET   A HA   
1241 H HB2  . MET   A 85  ? 0.399683 0.334025 0.379065 0.1147      -0.0989203  -0.1093     97  MET   A HB2  
1242 H HB3  . MET   A 85  ? 0.43119  0.358885 0.397776 0.131216    -0.117272   -0.133766   97  MET   A HB3  
1243 H HG2  . MET   A 85  ? 0.444957 0.385688 0.349465 0.149651    -0.0900981  -0.113903   97  MET   A HG2  
1244 H HG3  . MET   A 85  ? 0.415288 0.356942 0.333539 0.132677    -0.075044   -0.09092    97  MET   A HG3  
1245 H HE1  . MET   A 85  ? 0.449835 0.340845 0.42281  0.124931    -0.0982765  -0.120518   97  MET   A HE1  
1246 H HE2  . MET   A 85  ? 0.458005 0.357738 0.436915 0.126113    -0.11282    -0.133974   97  MET   A HE2  
1247 H HE3  . MET   A 85  ? 0.466988 0.376687 0.403814 0.147028    -0.102509   -0.135654   97  MET   A HE3  
1248 N N    . LYS   A 86  ? 0.528733 0.483304 0.50455  0.14756     -0.159121   -0.167124   98  LYS   A N    
1249 C CA   . LYS   A 86  ? 0.543959 0.499363 0.559705 0.140147    -0.183638   -0.187457   98  LYS   A CA   
1250 C C    . LYS   A 86  ? 0.524552 0.456383 0.580267 0.122265    -0.188305   -0.193065   98  LYS   A C    
1251 O O    . LYS   A 86  ? 0.532472 0.44574  0.578272 0.122626    -0.178807   -0.18922    98  LYS   A O    
1252 C CB   . LYS   A 86  ? 0.638896 0.604236 0.630808 0.162036    -0.209288   -0.216877   98  LYS   A CB   
1253 C CG   . LYS   A 86  ? 0.679706 0.670394 0.637157 0.178475    -0.208831   -0.207516   98  LYS   A CG   
1254 C CD   . LYS   A 86  ? 0.819659 0.82538  0.728553 0.205289    -0.224057   -0.22732    98  LYS   A CD   
1255 C CE   . LYS   A 86  ? 0.843534 0.869499 0.715576 0.217979    -0.213719   -0.202172   98  LYS   A CE   
1256 N NZ   . LYS   A 86  ? 0.953009 1.00084  0.780096 0.243246    -0.232171   -0.221311   98  LYS   A NZ   
1257 H H    . LYS   A 86  ? 0.539822 0.493876 0.488678 0.160265    -0.159384   -0.173663   98  LYS   A H    
1258 H HA   . LYS   A 86  ? 0.53518  0.502098 0.569584 0.132845    -0.182295   -0.178988   98  LYS   A HA   
1259 H HB2  . LYS   A 86  ? 0.648404 0.605989 0.618283 0.172038    -0.20868    -0.226159   98  LYS   A HB2  
1260 H HB3  . LYS   A 86  ? 0.643964 0.608148 0.665845 0.156015    -0.227848   -0.233127   98  LYS   A HB3  
1261 H HG2  . LYS   A 86  ? 0.686822 0.687229 0.669317 0.172871    -0.218056   -0.20797    98  LYS   A HG2  
1262 H HG3  . LYS   A 86  ? 0.672895 0.662927 0.61614  0.177064    -0.188899   -0.185685   98  LYS   A HG3  
1263 H HD2  . LYS   A 86  ? 0.808173 0.806176 0.698296 0.211281    -0.217727   -0.233031   98  LYS   A HD2  
1264 H HD3  . LYS   A 86  ? 0.821394 0.832928 0.742831 0.208383    -0.24668    -0.249283   98  LYS   A HD3  
1265 H HE2  . LYS   A 86  ? 0.840205 0.871827 0.733857 0.212174    -0.217438   -0.194188   98  LYS   A HE2  
1266 H HE3  . LYS   A 86  ? 0.837583 0.858136 0.693907 0.216531    -0.193063   -0.183025   98  LYS   A HE3  
1267 H HZ1  . LYS   A 86  ? 0.944776 0.999547 0.786389 0.244788    -0.252815   -0.238586   98  LYS   A HZ1  
1268 H HZ2  . LYS   A 86  ? 0.943647 0.987869 0.754723 0.249336    -0.230309   -0.233582   98  LYS   A HZ2  
1269 H HZ3  . LYS   A 86  ? 0.937688 0.997797 0.737776 0.252156    -0.225412   -0.203751   98  LYS   A HZ3  
1270 N N    . LYS   A 87  ? 0.525768 0.459551 0.631257 0.105654    -0.20325    -0.19947    99  LYS   A N    
1271 C CA   . LYS   A 87  ? 0.55761  0.467543 0.707575 0.0867317   -0.211419   -0.202394   99  LYS   A CA   
1272 C C    . LYS   A 87  ? 0.579643 0.465122 0.715367 0.102618    -0.229467   -0.230473   99  LYS   A C    
1273 O O    . LYS   A 87  ? 0.594634 0.48786  0.714648 0.120323    -0.250948   -0.25998    99  LYS   A O    
1274 C CB   . LYS   A 87  ? 0.630762 0.553177 0.837968 0.0680574   -0.228578   -0.208007   99  LYS   A CB   
1275 C CG   . LYS   A 87  ? 0.714026 0.611843 0.974055 0.0436157   -0.235165   -0.202935   99  LYS   A CG   
1276 C CD   . LYS   A 87  ? 0.822761 0.737492 1.14827  0.0158841   -0.240826   -0.193267   99  LYS   A CD   
1277 C CE   . LYS   A 87  ? 0.891211 0.773311 1.2651   -0.00636673 -0.250692   -0.187573   99  LYS   A CE   
1278 N NZ   . LYS   A 87  ? 0.919964 0.814359 1.36354  -0.0308802  -0.268539   -0.190248   99  LYS   A NZ   
1279 H H    . LYS   A 87  ? 0.529902 0.480765 0.64443  0.105689    -0.208886   -0.20077    99  LYS   A H    
1280 H HA   . LYS   A 87  ? 0.543585 0.447523 0.696639 0.0761421   -0.193516   -0.181444   99  LYS   A HA   
1281 H HB2  . LYS   A 87  ? 0.605859 0.548153 0.819645 0.0615756   -0.216012   -0.192237   99  LYS   A HB2  
1282 H HB3  . LYS   A 87  ? 0.648353 0.576913 0.853801 0.078371    -0.248635   -0.230303   99  LYS   A HB3  
1283 H HG2  . LYS   A 87  ? 0.746    0.624543 1.00796  0.0507762   -0.253692   -0.224541   99  LYS   A HG2  
1284 H HG3  . LYS   A 87  ? 0.703585 0.591279 0.954146 0.0388241   -0.217616   -0.183839   99  LYS   A HG3  
1285 H HD2  . LYS   A 87  ? 0.778908 0.712874 1.10497  0.00825126  -0.220722   -0.17174    99  LYS   A HD2  
1286 H HD3  . LYS   A 87  ? 0.815866 0.743902 1.15366  0.0200859   -0.258774   -0.211851   99  LYS   A HD3  
1287 H HE2  . LYS   A 87  ? 0.904648 0.761199 1.26755  0.00492724  -0.26488    -0.206389   99  LYS   A HE2  
1288 H HE3  . LYS   A 87  ? 0.865837 0.744509 1.23791  -0.0160997  -0.231323   -0.162257   99  LYS   A HE3  
1289 H HZ1  . LYS   A 87  ? 0.931154 0.827488 1.37853  -0.0223027  -0.289249   -0.215557   99  LYS   A HZ1  
1290 H HZ2  . LYS   A 87  ? 0.893712 0.815865 1.3481   -0.039741   -0.254969   -0.174404   99  LYS   A HZ2  
1291 H HZ3  . LYS   A 87  ? 0.929629 0.803389 1.40382  -0.0459668  -0.272997   -0.182351   99  LYS   A HZ3  
1292 N N    . GLY   A 88  ? 0.573269 0.431568 0.714262 0.098196    -0.221767   -0.222648   100 GLY   A N    
1293 C CA   . GLY   A 88  ? 0.631914 0.4656   0.765122 0.115477    -0.238755   -0.251642   100 GLY   A CA   
1294 C C    . GLY   A 88  ? 0.618775 0.461039 0.693276 0.142197    -0.223525   -0.254735   100 GLY   A C    
1295 O O    . GLY   A 88  ? 0.64578  0.469685 0.713799 0.157386    -0.229856   -0.273308   100 GLY   A O    
1296 H H    . GLY   A 88  ? 0.56024  0.416295 0.710076 0.0853549   -0.20618    -0.199575   100 GLY   A H    
1297 H HA2  . GLY   A 88  ? 0.628818 0.439432 0.791327 0.10381     -0.240723   -0.245193   100 GLY   A HA2  
1298 H HA3  . GLY   A 88  ? 0.647982 0.482579 0.789421 0.121316    -0.260158   -0.277231   100 GLY   A HA3  
1299 N N    . GLU   A 89  ? 0.562337 0.432339 0.599295 0.147057    -0.202568   -0.234712   101 GLU   A N    
1300 C CA   . GLU   A 89  ? 0.595007 0.479    0.580187 0.168401    -0.18549    -0.231313   101 GLU   A CA   
1301 C C    . GLU   A 89  ? 0.567639 0.436159 0.557184 0.163136    -0.167238   -0.212411   101 GLU   A C    
1302 O O    . GLU   A 89  ? 0.533734 0.391626 0.550701 0.140826    -0.157094   -0.187134   101 GLU   A O    
1303 C CB   . GLU   A 89  ? 0.607662 0.518714 0.563113 0.168485    -0.166974   -0.206865   101 GLU   A CB   
1304 C CG   . GLU   A 89  ? 0.605094 0.537226 0.507228 0.189565    -0.151303   -0.201094   101 GLU   A CG   
1305 C CD   . GLU   A 89  ? 0.612172 0.565467 0.491639 0.189268    -0.139144   -0.177686   101 GLU   A CD   
1306 O OE1  . GLU   A 89  ? 0.562771 0.525331 0.448366 0.189388    -0.153216   -0.182564   101 GLU   A OE1  
1307 O OE2  . GLU   A 89  ? 0.594408 0.554636 0.453324 0.188795    -0.116411   -0.153587   101 GLU   A OE2  
1308 H H    . GLU   A 89  ? 0.560246 0.441254 0.606493 0.136525    -0.198736   -0.222275   101 GLU   A H    
1309 H HA   . GLU   A 89  ? 0.620466 0.508032 0.588305 0.186265    -0.197481   -0.25576    101 GLU   A HA   
1310 H HB2  . GLU   A 89  ? 0.602168 0.522592 0.5619   0.168812    -0.178617   -0.214139   101 GLU   A HB2  
1311 H HB3  . GLU   A 89  ? 0.570465 0.477642 0.540497 0.153011    -0.153755   -0.185366   101 GLU   A HB3  
1312 H HG2  . GLU   A 89  ? 0.601424 0.528035 0.501608 0.187744    -0.137876   -0.190826   101 GLU   A HG2  
1313 H HG3  . GLU   A 89  ? 0.639954 0.578626 0.524692 0.206284    -0.162775   -0.222973   101 GLU   A HG3  
1314 N N    . ILE   A 90  ? 0.595638 0.469556 0.555055 0.185557    -0.162538   -0.224567   102 ILE   A N    
1315 C CA   . ILE   A 90  ? 0.561853 0.434267 0.514867 0.186108    -0.142185   -0.205053   102 ILE   A CA   
1316 C C    . ILE   A 90  ? 0.528456 0.434353 0.434379 0.19996     -0.121527   -0.193833   102 ILE   A C    
1317 O O    . ILE   A 90  ? 0.549027 0.475264 0.422785 0.221611    -0.125836   -0.21297    102 ILE   A O    
1318 C CB   . ILE   A 90  ? 0.593256 0.444234 0.562406 0.19991     -0.15306    -0.226054   102 ILE   A CB   
1319 C CG1  . ILE   A 90  ? 0.623787 0.435493 0.647004 0.182356    -0.174575   -0.231081   102 ILE   A CG1  
1320 C CG2  . ILE   A 90  ? 0.573272 0.431518 0.534516 0.201732    -0.1312     -0.203208   102 ILE   A CG2  
1321 C CD1  . ILE   A 90  ? 0.646967 0.426996 0.696799 0.196253    -0.194799   -0.258395   102 ILE   A CD1  
1322 H H    . ILE   A 90  ? 0.613395 0.495198 0.55588  0.201854    -0.172577   -0.246621   102 ILE   A H    
1323 H HA   . ILE   A 90  ? 0.537558 0.402866 0.508276 0.167937    -0.134507   -0.183502   102 ILE   A HA   
1324 H HB   . ILE   A 90  ? 0.62147  0.481073 0.572744 0.219405    -0.160987   -0.251008   102 ILE   A HB   
1325 H HG12 . ILE   A 90  ? 0.592906 0.399224 0.630819 0.164786    -0.164715   -0.204798   102 ILE   A HG12 
1326 H HG13 . ILE   A 90  ? 0.621223 0.433538 0.652036 0.176399    -0.185765   -0.23986    102 ILE   A HG13 
1327 H HG21 . ILE   A 90  ? 0.587626 0.427407 0.569156 0.205671    -0.13878    -0.210311   102 ILE   A HG21 
1328 H HG22 . ILE   A 90  ? 0.546116 0.405638 0.512625 0.184396    -0.120222   -0.178047   102 ILE   A HG22 
1329 H HG23 . ILE   A 90  ? 0.576045 0.457523 0.508142 0.216545    -0.121339   -0.206829   102 ILE   A HG23 
1330 H HD11 . ILE   A 90  ? 0.678306 0.463839 0.714197 0.214346    -0.206013   -0.288275   102 ILE   A HD11 
1331 H HD12 . ILE   A 90  ? 0.659039 0.414088 0.745436 0.180757    -0.207289   -0.255047   102 ILE   A HD12 
1332 H HD13 . ILE   A 90  ? 0.64808  0.427986 0.693856 0.203023    -0.184728   -0.24962    102 ILE   A HD13 
1333 N N    . ALA   A 91  ? 0.50377  0.41671  0.406315 0.186836    -0.0996055  -0.162235   103 ALA   A N    
1334 C CA   . ALA   A 91  ? 0.504439 0.445662 0.371706 0.194008    -0.0789642  -0.145199   103 ALA   A CA   
1335 C C    . ALA   A 91  ? 0.498743 0.444495 0.369364 0.19062     -0.0610304  -0.127366   103 ALA   A C    
1336 O O    . ALA   A 91  ? 0.444765 0.371558 0.343781 0.175863    -0.0613506  -0.11755    103 ALA   A O    
1337 C CB   . ALA   A 91  ? 0.4651   0.410971 0.329576 0.179059    -0.072632   -0.124617   103 ALA   A CB   
1338 H H    . ALA   A 91  ? 0.488956 0.388621 0.413621 0.171733    -0.0977725  -0.150092   103 ALA   A H    
1339 H HA   . ALA   A 91  ? 0.523196 0.479416 0.367595 0.211586    -0.0819323  -0.159326   103 ALA   A HA   
1340 H HB1  . ALA   A 91  ? 0.481831 0.428172 0.344955 0.182693    -0.0847601  -0.135817   103 ALA   A HB1  
1341 H HB2  . ALA   A 91  ? 0.450982 0.385116 0.336549 0.163032    -0.0695731  -0.113403   103 ALA   A HB2  
1342 H HB3  . ALA   A 91  ? 0.46654  0.42774  0.310836 0.182228    -0.0599728  -0.111442   103 ALA   A HB3  
1343 N N    . HIS   A 92  ? 0.464021 0.438801 0.306395 0.203695    -0.0454356  -0.120896   104 HIS   A N    
1344 C CA   . HIS   A 92  ? 0.436576 0.422676 0.283999 0.197186    -0.0272708  -0.0999569  104 HIS   A CA   
1345 C C    . HIS   A 92  ? 0.444915 0.441264 0.282436 0.180846    -0.0117163  -0.0714175  104 HIS   A C    
1346 O O    . HIS   A 92  ? 0.479214 0.489145 0.292969 0.186687    -0.00897501 -0.0673703  104 HIS   A O    
1347 C CB   . HIS   A 92  ? 0.441521 0.457516 0.271993 0.220541    -0.018685   -0.109979   104 HIS   A CB   
1348 C CG   . HIS   A 92  ? 0.44401  0.449304 0.291402 0.23776     -0.0313658  -0.136941   104 HIS   A CG   
1349 N ND1  . HIS   A 92  ? 0.500209 0.529478 0.337689 0.264623    -0.0286718  -0.157574   104 HIS   A ND1  
1350 C CD2  . HIS   A 92  ? 0.445195 0.413318 0.323979 0.230068    -0.0489438  -0.14594    104 HIS   A CD2  
1351 C CE1  . HIS   A 92  ? 0.497817 0.501442 0.362506 0.273811    -0.0448609  -0.179254   104 HIS   A CE1  
1352 N NE2  . HIS   A 92  ? 0.459259 0.42325  0.349134 0.251699    -0.0584929  -0.171185   104 HIS   A NE2  
1353 H H    . HIS   A 92  ? 0.488186 0.478067 0.30881  0.216275    -0.0463599  -0.128865   104 HIS   A H    
1354 H HA   . HIS   A 92  ? 0.429927 0.39938  0.299781 0.188122    -0.0309733  -0.0974445  104 HIS   A HA   
1355 H HB2  . HIS   A 92  ? 0.457115 0.489522 0.263661 0.231182    -0.0175225  -0.115211   104 HIS   A HB2  
1356 H HB3  . HIS   A 92  ? 0.427348 0.457714 0.258938 0.214752    -0.00479328 -0.0924982  104 HIS   A HB3  
1358 H HD2  . HIS   A 92  ? 0.428737 0.377802 0.320864 0.213191    -0.0537708  -0.136431   104 HIS   A HD2  
1359 H HE1  . HIS   A 92  ? 0.517995 0.529702 0.383971 0.293484    -0.047483   -0.198735   104 HIS   A HE1  
1361 N N    . LEU   A 93  ? 0.411313 0.401456 0.266376 0.161981    -0.00309801 -0.0524823  105 LEU   A N    
1362 C CA   . LEU   A 93  ? 0.41562  0.413014 0.266114 0.147155    0.0105043   -0.0291219  105 LEU   A CA   
1363 C C    . LEU   A 93  ? 0.388424 0.404341 0.245618 0.142988    0.0240921   -0.0155023  105 LEU   A C    
1364 O O    . LEU   A 93  ? 0.396593 0.408168 0.272496 0.138764    0.0216094   -0.0166872  105 LEU   A O    
1365 C CB   . LEU   A 93  ? 0.391653 0.36806  0.258409 0.126834    0.00759366  -0.0219518  105 LEU   A CB   
1366 C CG   . LEU   A 93  ? 0.402244 0.363199 0.273175 0.12625     -0.00539117 -0.0329936  105 LEU   A CG   
1367 C CD1  . LEU   A 93  ? 0.385309 0.33431  0.274492 0.107343    -0.00438708 -0.0259242  105 LEU   A CD1  
1368 C CD2  . LEU   A 93  ? 0.41903  0.390244 0.267273 0.137715    -0.00555519 -0.0316224  105 LEU   A CD2  
1369 H H    . LEU   A 93  ? 0.411989 0.392301 0.283268 0.158292    -0.00690261 -0.0546473  105 LEU   A H    
1370 H HA   . LEU   A 93  ? 0.418225 0.425429 0.251574 0.153802    0.013079    -0.026542   105 LEU   A HA   
1371 H HB2  . LEU   A 93  ? 0.384766 0.355555 0.265531 0.119568    0.00682704  -0.0208663  105 LEU   A HB2  
1372 H HB3  . LEU   A 93  ? 0.388137 0.368912 0.251984 0.119398    0.0160004   -0.0092454  105 LEU   A HB3  
1373 H HG   . LEU   A 93  ? 0.409725 0.364675 0.286363 0.132405    -0.0151318  -0.0462069  105 LEU   A HG   
1374 H HD11 . LEU   A 93  ? 0.377508 0.322493 0.27829  0.100053    -0.00421582 -0.0244073  105 LEU   A HD11 
1375 H HD12 . LEU   A 93  ? 0.387621 0.331103 0.282067 0.107876    -0.0122661  -0.0330683  105 LEU   A HD12 
1376 H HD13 . LEU   A 93  ? 0.379416 0.331878 0.264489 0.102267    0.00367514  -0.0159046  105 LEU   A HD13 
1377 H HD21 . LEU   A 93  ? 0.434814 0.416113 0.26949  0.151424    -0.00788297 -0.039704   105 LEU   A HD21 
1378 H HD22 . LEU   A 93  ? 0.415135 0.391671 0.258419 0.132994    0.00420097  -0.0171263  105 LEU   A HD22 
1379 H HD23 . LEU   A 93  ? 0.419442 0.383089 0.272504 0.136422    -0.0136682  -0.0368123  105 LEU   A HD23 
1380 N N    . LEU   A 94  ? 0.364588 0.400101 0.210712 0.140653    0.0375288   0.00128179  106 LEU   A N    
1381 C CA   . LEU   A 94  ? 0.361072 0.415022 0.219819 0.130377    0.0502609   0.0176907   106 LEU   A CA   
1382 C C    . LEU   A 94  ? 0.354279 0.397162 0.218947 0.109732    0.0552049   0.0354147   106 LEU   A C    
1383 O O    . LEU   A 94  ? 0.362833 0.401435 0.213921 0.110821    0.0568491   0.0435914   106 LEU   A O    
1384 C CB   . LEU   A 94  ? 0.392238 0.484219 0.239259 0.144773    0.0632347   0.0234036   106 LEU   A CB   
1385 C CG   . LEU   A 94  ? 0.409774 0.529491 0.276629 0.135723    0.0761251   0.0388212   106 LEU   A CG   
1386 C CD1  . LEU   A 94  ? 0.410319 0.530891 0.298129 0.139482    0.0694217   0.0269229   106 LEU   A CD1  
1387 C CD2  . LEU   A 94  ? 0.470731 0.634776 0.325232 0.14831     0.0926361   0.0491673   106 LEU   A CD2  
1388 H H    . LEU   A 94  ? 0.383259 0.421445 0.215049 0.145023    0.038162    0.00374049  106 LEU   A H    
1389 H HA   . LEU   A 94  ? 0.35382  0.403877 0.226856 0.127437    0.0465646   0.0133391   106 LEU   A HA   
1390 H HB2  . LEU   A 94  ? 0.405396 0.50293  0.246177 0.160952    0.0588331   0.00775599  106 LEU   A HB2  
1391 H HB3  . LEU   A 94  ? 0.405911 0.502509 0.238084 0.145757    0.0674276   0.0321309   106 LEU   A HB3  
1392 H HG   . LEU   A 94  ? 0.403872 0.514604 0.27977  0.118551    0.0780962   0.0514804   106 LEU   A HG   
1393 H HD11 . LEU   A 94  ? 0.394188 0.491106 0.289648 0.129072    0.0609509   0.0251604   106 LEU   A HD11 
1394 H HD12 . LEU   A 94  ? 0.403242 0.546275 0.304226 0.135556    0.0770755   0.0360214   106 LEU   A HD12 
1395 H HD13 . LEU   A 94  ? 0.417849 0.541224 0.299592 0.156622    0.0652941   0.0121682   106 LEU   A HD13 
1396 H HD21 . LEU   A 94  ? 0.468337 0.631662 0.309866 0.144608    0.0967191   0.0612781   106 LEU   A HD21 
1397 H HD22 . LEU   A 94  ? 0.471202 0.645737 0.314794 0.16698     0.0907634   0.0338904   106 LEU   A HD22 
1398 H HD23 . LEU   A 94  ? 0.45285  0.63702  0.324353 0.141564    0.100678    0.0591202   106 LEU   A HD23 
1399 N N    . ILE   A 95  ? 0.32275  0.36231  0.207612 0.0928775   0.0562543   0.0406343   107 ILE   A N    
1400 C CA   . ILE   A 95  ? 0.344162 0.365442 0.238186 0.0740299   0.0556382   0.0468529   107 ILE   A CA   
1401 C C    . ILE   A 95  ? 0.358701 0.393689 0.270124 0.0581955   0.0629502   0.0597644   107 ILE   A C    
1402 O O    . ILE   A 95  ? 0.344334 0.393259 0.268749 0.053862    0.0619004   0.0582258   107 ILE   A O    
1403 C CB   . ILE   A 95  ? 0.34519  0.346243 0.245154 0.0676654   0.0457059   0.0344942   107 ILE   A CB   
1404 C CG1  . ILE   A 95  ? 0.336581 0.325099 0.227208 0.0801068   0.0370989   0.0221643   107 ILE   A CG1  
1405 C CG2  . ILE   A 95  ? 0.340604 0.328662 0.248744 0.0509777   0.0466577   0.0370186   107 ILE   A CG2  
1406 C CD1  . ILE   A 95  ? 0.355543 0.331561 0.256371 0.0747175   0.0282936   0.0134261   107 ILE   A CD1  
1407 H H    . ILE   A 95  ? 0.328734 0.379161 0.221844 0.0944661   0.056638    0.0388514   107 ILE   A H    
1408 H HA   . ILE   A 95  ? 0.352042 0.36593  0.238229 0.0756183   0.0564217   0.0507332   107 ILE   A HA   
1409 H HB   . ILE   A 95  ? 0.334451 0.342393 0.241377 0.0662731   0.0441036   0.0331164   107 ILE   A HB   
1410 H HG12 . ILE   A 95  ? 0.34984  0.330621 0.235546 0.0802248   0.0367645   0.0229581   107 ILE   A HG12 
1411 H HG13 . ILE   A 95  ? 0.353545 0.35106  0.23726  0.0923036   0.0368586   0.0191405   107 ILE   A HG13 
1412 H HG21 . ILE   A 95  ? 0.336009 0.313847 0.244708 0.04902     0.0420042   0.0293847   107 ILE   A HG21 
1413 H HG22 . ILE   A 95  ? 0.348664 0.331874 0.254034 0.0515517   0.049363    0.0423594   107 ILE   A HG22 
1414 H HG23 . ILE   A 95  ? 0.337305 0.333109 0.254096 0.0420597   0.0486579   0.0404513   107 ILE   A HG23 
1415 H HD11 . ILE   A 95  ? 0.345394 0.327458 0.251397 0.0757387   0.027217    0.0141476   107 ILE   A HD11 
1416 H HD12 . ILE   A 95  ? 0.351522 0.319741 0.250196 0.0813847   0.0221299   0.00569622  107 ILE   A HD12 
1417 H HD13 . ILE   A 95  ? 0.340446 0.311632 0.245991 0.0636884   0.0295336   0.0153111   107 ILE   A HD13 
1418 N N    . LYS   A 96  ? 0.352996 0.384243 0.267897 0.0491262   0.068875    0.0738629   108 LYS   A N    
1419 C CA   . LYS   A 96  ? 0.338699 0.375806 0.276471 0.0298073   0.0723736   0.0837157   108 LYS   A CA   
1420 C C    . LYS   A 96  ? 0.336347 0.355385 0.284489 0.0161125   0.0633838   0.0700274   108 LYS   A C    
1421 O O    . LYS   A 96  ? 0.340768 0.338541 0.279963 0.0187623   0.0575061   0.0581856   108 LYS   A O    
1422 C CB   . LYS   A 96  ? 0.38653  0.418037 0.329292 0.0228014   0.0790482   0.103804    108 LYS   A CB   
1423 C CG   . LYS   A 96  ? 0.417346 0.479735 0.348511 0.0347354   0.0911804   0.121938    108 LYS   A CG   
1424 C CD   . LYS   A 96  ? 0.480135 0.540273 0.41141  0.0297069   0.0987573   0.149382    108 LYS   A CD   
1425 C CE   . LYS   A 96  ? 0.49761  0.59744  0.413136 0.04149     0.113339    0.1702      108 LYS   A CE   
1426 N NZ   . LYS   A 96  ? 0.615466 0.705483 0.537417 0.0303776   0.11829     0.201378    108 LYS   A NZ   
1427 H H    . LYS   A 96  ? 0.363744 0.387998 0.268304 0.0547794   0.0694922   0.0775795   108 LYS   A H    
1428 H HA   . LYS   A 96  ? 0.345592 0.405877 0.290393 0.0306468   0.0761887   0.0871581   108 LYS   A HA   
1429 H HB2  . LYS   A 96  ? 0.388467 0.398095 0.323931 0.0252936   0.0748884   0.101061    108 LYS   A HB2  
1430 H HB3  . LYS   A 96  ? 0.386574 0.417499 0.348492 0.0081249   0.0793826   0.108634    108 LYS   A HB3  
1431 H HG2  . LYS   A 96  ? 0.416652 0.503248 0.358983 0.0320836   0.0961182   0.124621    108 LYS   A HG2  
1432 H HG3  . LYS   A 96  ? 0.420192 0.484598 0.332313 0.0501404   0.0892255   0.112909    108 LYS   A HG3  
1433 H HD2  . LYS   A 96  ? 0.476152 0.512659 0.397301 0.0339778   0.0926891   0.146685    108 LYS   A HD2  
1434 H HD3  . LYS   A 96  ? 0.475192 0.52977  0.429207 0.0131785   0.0993219   0.157603    108 LYS   A HD3  
1435 H HE2  . LYS   A 96  ? 0.512201 0.639346 0.439613 0.0386302   0.120398    0.172676    108 LYS   A HE2  
1436 H HE3  . LYS   A 96  ? 0.519116 0.623367 0.410505 0.0586231   0.111716    0.161238    108 LYS   A HE3  
1437 H HZ1  . LYS   A 96  ? 0.584769 0.673412 0.531853 0.0140244   0.120147    0.209976    108 LYS   A HZ1  
1438 H HZ2  . LYS   A 96  ? 0.587444 0.649774 0.503304 0.0322094   0.110283    0.198348    108 LYS   A HZ2  
1439 H HZ3  . LYS   A 96  ? 0.600053 0.713889 0.508353 0.0380215   0.127147    0.21592     108 LYS   A HZ3  
1440 N N    . PRO   A 97  ? 0.359999 0.389984 0.328957 -0.000162   0.062362    0.0716276   109 PRO   A N    
1441 C CA   . PRO   A 97  ? 0.391861 0.413069 0.366028 -0.0114702  0.0533607   0.0564587   109 PRO   A CA   
1442 C C    . PRO   A 97  ? 0.381492 0.3724   0.353924 -0.0164642  0.0495749   0.0455243   109 PRO   A C    
1443 O O    . PRO   A 97  ? 0.347081 0.331897 0.311638 -0.0170205  0.0442877   0.0299226   109 PRO   A O    
1444 C CB   . PRO   A 97  ? 0.391443 0.434361 0.390061 -0.0274577  0.0515153   0.0603925   109 PRO   A CB   
1445 C CG   . PRO   A 97  ? 0.386781 0.455539 0.394978 -0.0228913  0.061565    0.0791253   109 PRO   A CG   
1446 C CD   . PRO   A 97  ? 0.387459 0.446754 0.375469 -0.00678375 0.0695634   0.0871335   109 PRO   A CD   
1447 H HA   . PRO   A 97  ? 0.370666 0.396374 0.335494 -0.00498909 0.050195    0.050261    109 PRO   A HA   
1448 H HB2  . PRO   A 97  ? 0.400922 0.431747 0.410694 -0.0389305  0.0490993   0.057752    109 PRO   A HB2  
1449 H HB3  . PRO   A 97  ? 0.383547 0.437358 0.380994 -0.0282162  0.0460207   0.0534644   109 PRO   A HB3  
1450 H HG2  . PRO   A 97  ? 0.396394 0.470249 0.423686 -0.0353465  0.0633548   0.0870513   109 PRO   A HG2  
1451 H HG3  . PRO   A 97  ? 0.378557 0.468173 0.388273 -0.0175638  0.0608439   0.0784119   109 PRO   A HG3  
1452 H HD2  . PRO   A 97  ? 0.395443 0.450223 0.389882 -0.0121734  0.0743257   0.0988825   109 PRO   A HD2  
1453 H HD3  . PRO   A 97  ? 0.378637 0.456852 0.360842 0.00461412  0.0737145   0.0899737   109 PRO   A HD3  
1454 N N    . GLU   A 98  ? 0.368568 0.341974 0.348524 -0.0183065  0.0527248   0.0549567   110 GLU   A N    
1455 C CA   . GLU   A 98  ? 0.396273 0.339595 0.379226 -0.01968    0.0482863   0.0439866   110 GLU   A CA   
1456 C C    . GLU   A 98  ? 0.357822 0.293165 0.321673 -0.00533471 0.0466298   0.0319034   110 GLU   A C    
1457 O O    . GLU   A 98  ? 0.359189 0.279061 0.326385 -0.0059124  0.0429688   0.0163675   110 GLU   A O    
1458 C CB   . GLU   A 98  ? 0.425482 0.350954 0.420788 -0.0214077  0.051181    0.0630929   110 GLU   A CB   
1459 C CG   . GLU   A 98  ? 0.526803 0.459725 0.549443 -0.0403876  0.0520836   0.0748136   110 GLU   A CG   
1460 C CD   . GLU   A 98  ? 0.595966 0.56602  0.62059  -0.0418832  0.0612256   0.0948483   110 GLU   A CD   
1461 O OE1  . GLU   A 98  ? 0.544757 0.532188 0.54801  -0.0259784  0.0685828   0.104322    110 GLU   A OE1  
1462 O OE2  . GLU   A 98  ? 0.782082 0.766198 0.833169 -0.0590945  0.0605708   0.0997639   110 GLU   A OE2  
1463 H H    . GLU   A 98  ? 0.385758 0.367102 0.369348 -0.017563   0.0578602   0.0693225   110 GLU   A H    
1464 H HA   . GLU   A 98  ? 0.393398 0.334281 0.385941 -0.0294578  0.0437883   0.0322915   110 GLU   A HA   
1465 H HB2  . GLU   A 98  ? 0.44092  0.373445 0.424089 -0.0115999  0.0557411   0.0753317   110 GLU   A HB2  
1466 H HB3  . GLU   A 98  ? 0.452851 0.356367 0.451863 -0.0198542  0.0472415   0.0557298   110 GLU   A HB3  
1467 H HG2  . GLU   A 98  ? 0.539279 0.453176 0.574767 -0.0446981  0.0514681   0.0842901   110 GLU   A HG2  
1468 H HG3  . GLU   A 98  ? 0.516244 0.448934 0.547449 -0.049015   0.046329    0.0593291   110 GLU   A HG3  
1469 N N    . TYR   A 99  ? 0.346151 0.292863 0.293662 0.00765274  0.0489455   0.0378288   111 TYR   A N    
1470 C CA   . TYR   A 99  ? 0.329669 0.271391 0.264771 0.019084    0.0459944   0.0278267   111 TYR   A CA   
1471 C C    . TYR   A 99  ? 0.312879 0.269779 0.241715 0.0186111   0.043841    0.0203462   111 TYR   A C    
1472 O O    . TYR   A 99  ? 0.343835 0.298888 0.266679 0.025666    0.041093    0.014458    111 TYR   A O    
1473 C CB   . TYR   A 99  ? 0.348311 0.288608 0.271932 0.0337965   0.0465794   0.0377702   111 TYR   A CB   
1474 C CG   . TYR   A 99  ? 0.353345 0.277532 0.281279 0.0357675   0.0471369   0.0496458   111 TYR   A CG   
1475 C CD1  . TYR   A 99  ? 0.353744 0.280614 0.287841 0.0297228   0.0525972   0.0695449   111 TYR   A CD1  
1476 C CD2  . TYR   A 99  ? 0.393333 0.300543 0.322554 0.0437632   0.0415932   0.0430302   111 TYR   A CD2  
1477 C CE1  . TYR   A 99  ? 0.411837 0.320327 0.352117 0.0306218   0.0518307   0.0847249   111 TYR   A CE1  
1478 C CE2  . TYR   A 99  ? 0.419415 0.309016 0.354596 0.0474274   0.0396571   0.055505    111 TYR   A CE2  
1479 C CZ   . TYR   A 99  ? 0.431023 0.318688 0.371436 0.0402187   0.0444946   0.0777895   111 TYR   A CZ   
1480 O OH   . TYR   A 99  ? 0.44944  0.316982 0.39787  0.0426651   0.0418425   0.0953878   111 TYR   A OH   
1481 H H    . TYR   A 99  ? 0.343905 0.303057 0.289918 0.00940976  0.0522002   0.0478951   111 TYR   A H    
1482 H HA   . TYR   A 99  ? 0.339005 0.268871 0.279004 0.0175284   0.0441194   0.0192748   111 TYR   A HA   
1483 H HB2  . TYR   A 99  ? 0.340234 0.294016 0.258872 0.0365719   0.0493238   0.0446692   111 TYR   A HB2  
1484 H HB3  . TYR   A 99  ? 0.336467 0.274991 0.254662 0.0404669   0.0430745   0.0298768   111 TYR   A HB3  
1485 H HD1  . TYR   A 99  ? 0.361078 0.302855 0.297756 0.0243023   0.0566423   0.0741268   111 TYR   A HD1  
1486 H HD2  . TYR   A 99  ? 0.375558 0.284202 0.303643 0.0467692   0.0387462   0.0306925   111 TYR   A HD2  
1487 H HE1  . TYR   A 99  ? 0.418943 0.329775 0.365639 0.0246116   0.0560118   0.101118    111 TYR   A HE1  
1488 H HE2  . TYR   A 99  ? 0.421323 0.300719 0.35965  0.0541474   0.034935    0.0502661   111 TYR   A HE2  
1490 N N    . ALA   A 100 ? 0.32849  0.299283 0.262277 0.0085644   0.043488    0.0207956   112 ALA   A N    
1491 C CA   . ALA   A 100 ? 0.325007 0.309483 0.253919 0.00781413  0.0399905   0.018469    112 ALA   A CA   
1492 C C    . ALA   A 100 ? 0.305445 0.298433 0.23675  -0.00569171 0.0373387   0.0102436   112 ALA   A C    
1493 O O    . ALA   A 100 ? 0.352354 0.338869 0.280615 -0.0084216  0.037746    -0.00165858 112 ALA   A O    
1494 C CB   . ALA   A 100 ? 0.32301  0.321467 0.252832 0.0150398   0.0399319   0.028403    112 ALA   A CB   
1495 H H    . ALA   A 100 ? 0.330843 0.302756 0.272697 0.00166824  0.0444995   0.0236669   112 ALA   A H    
1496 H HA   . ALA   A 100 ? 0.317022 0.296083 0.241024 0.0124104   0.0388118   0.0147542   112 ALA   A HA   
1497 H HB1  . ALA   A 100 ? 0.322059 0.315589 0.246922 0.0250959   0.0402539   0.0291312   112 ALA   A HB1  
1498 H HB2  . ALA   A 100 ? 0.325088 0.330605 0.261539 0.0119292   0.0427597   0.0337355   112 ALA   A HB2  
1499 H HB3  . ALA   A 100 ? 0.319035 0.325945 0.249043 0.0134027   0.0363331   0.0286343   112 ALA   A HB3  
1500 N N    . TYR   A 101 ? 0.311272 0.321536 0.248991 -0.0129108  0.0343766   0.0146277   113 TYR   A N    
1501 C CA   . TYR   A 101 ? 0.294409 0.31776  0.23085  -0.0245868  0.0288532   0.00521385  113 TYR   A CA   
1502 C C    . TYR   A 101 ? 0.360514 0.383952 0.313459 -0.0369402  0.0262155   -0.00123797 113 TYR   A C    
1503 O O    . TYR   A 101 ? 0.325786 0.361753 0.279639 -0.047091   0.0191431   -0.0124624  113 TYR   A O    
1504 C CB   . TYR   A 101 ? 0.319198 0.364494 0.250027 -0.0236358  0.0229608   0.0137782   113 TYR   A CB   
1505 C CG   . TYR   A 101 ? 0.310643 0.351309 0.229379 -0.015709   0.0234922   0.0192707   113 TYR   A CG   
1506 C CD1  . TYR   A 101 ? 0.321757 0.363807 0.228158 -0.0199104  0.0250061   0.0122573   113 TYR   A CD1  
1507 C CD2  . TYR   A 101 ? 0.316769 0.349437 0.239599 -0.00354903 0.0238616   0.0290689   113 TYR   A CD2  
1508 C CE1  . TYR   A 101 ? 0.324456 0.362925 0.226149 -0.0156938  0.026252    0.0199488   113 TYR   A CE1  
1509 C CE2  . TYR   A 101 ? 0.295376 0.31951  0.213725 0.00154783  0.0222372   0.0333188   113 TYR   A CE2  
1510 C CZ   . TYR   A 101 ? 0.315061 0.341403 0.224742 -0.00596321 0.0239369   0.0303544   113 TYR   A CZ   
1511 O OH   . TYR   A 101 ? 0.294593 0.314464 0.205753 -0.00394375 0.0226636   0.0376105   113 TYR   A OH   
1512 H H    . TYR   A 101 ? 0.302357 0.318992 0.24534  -0.00987037 0.0354802   0.0229055   113 TYR   A H    
1513 H HA   . TYR   A 101 ? 0.318235 0.3361   0.246907 -0.0248619  0.0297332   -0.00381784 113 TYR   A HA   
1514 H HB2  . TYR   A 101 ? 0.307472 0.359632 0.247284 -0.0205936  0.0225131   0.022117    113 TYR   A HB2  
1515 H HB3  . TYR   A 101 ? 0.319354 0.376569 0.247614 -0.0313619  0.0183013   0.00797127  113 TYR   A HB3  
1516 H HD1  . TYR   A 101 ? 0.329194 0.377228 0.231667 -0.026169   0.0249564   0.00210799  113 TYR   A HD1  
1517 H HD2  . TYR   A 101 ? 0.305486 0.341041 0.235614 0.00089021  0.0243936   0.0327407   113 TYR   A HD2  
1518 H HE1  . TYR   A 101 ? 0.328051 0.372793 0.222684 -0.0194669  0.0286294   0.0171006   113 TYR   A HE1  
1519 H HE2  . TYR   A 101 ? 0.302348 0.319777 0.224991 0.00993261  0.0204954   0.037186    113 TYR   A HE2  
1521 N N    . GLY   A 102 ? 0.325554 0.338463 0.293556 -0.037102   0.0306957   0.00799095  114 GLY   A N    
1522 C CA   . GLY   A 102 ? 0.394964 0.399435 0.384416 -0.0507633  0.0279164   0.00335549  114 GLY   A CA   
1523 C C    . GLY   A 102 ? 0.370356 0.400816 0.377459 -0.0638886  0.0210639   0.00496176  114 GLY   A C    
1524 O O    . GLY   A 102 ? 0.345229 0.402839 0.350932 -0.0602791  0.0199543   0.014477    114 GLY   A O    
1525 H H    . GLY   A 102 ? 0.33781  0.349069 0.303458 -0.0289762  0.035178    0.0178583   114 GLY   A H    
1526 H HA2  . GLY   A 102 ? 0.377763 0.371262 0.374912 -0.0489417  0.0328015   0.0137458   114 GLY   A HA2  
1527 H HA3  . GLY   A 102 ? 0.384753 0.377176 0.371904 -0.0532865  0.0249342   -0.0115391  114 GLY   A HA3  
1528 N N    . SER   A 103 ? 0.389854 0.411701 0.416977 -0.0791087  0.0139804   -0.00719467 115 SER   A N    
1529 C CA   . SER   A 103 ? 0.364611 0.411818 0.415158 -0.0941522  0.00516842  -0.00727199 115 SER   A CA   
1530 C C    . SER   A 103 ? 0.347025 0.418032 0.378827 -0.0940543  -0.00579649 -0.0232476  115 SER   A C    
1531 O O    . SER   A 103 ? 0.348651 0.450124 0.391527 -0.0999159  -0.013488   -0.0192005  115 SER   A O    
1532 C CB   . SER   A 103 ? 0.420297 0.450237 0.504823 -0.112856   -0.00151311 -0.0147529  115 SER   A CB   
1533 O OG   . SER   A 103 ? 0.484135 0.486288 0.556382 -0.110485   -0.00637745 -0.0400655  115 SER   A OG   
1534 H H    . SER   A 103 ? 0.394145 0.394453 0.422814 -0.0800031  0.0135441   -0.0163499  115 SER   A H    
1535 H HA   . SER   A 103 ? 0.361265 0.425055 0.41908  -0.0916273  0.0101661   0.00967275  115 SER   A HA   
1536 H HB2  . SER   A 103 ? 0.428934 0.477852 0.528737 -0.123662   -0.0099238  -0.0192489  115 SER   A HB2  
1537 H HB3  . SER   A 103 ? 0.425045 0.444941 0.523576 -0.114271   0.00562671  0.00162333  115 SER   A HB3  
1539 N N    . ALA   A 104 ? 0.374925 0.436432 0.379169 -0.0874629  -0.00675688 -0.0403511  116 ALA   A N    
1540 C CA   . ALA   A 104 ? 0.396516 0.484264 0.37862  -0.0878661  -0.0163845  -0.0529377  116 ALA   A CA   
1541 C C    . ALA   A 104 ? 0.362319 0.472153 0.32867  -0.0771719  -0.0144021  -0.0316988  116 ALA   A C    
1542 O O    . ALA   A 104 ? 0.365994 0.505122 0.325116 -0.0793752  -0.0250582  -0.030805   116 ALA   A O    
1543 C CB   . ALA   A 104 ? 0.420358 0.496183 0.378025 -0.0829542  -0.0141994  -0.0751015  116 ALA   A CB   
1544 H H    . ALA   A 104 ? 0.373624 0.414304 0.372657 -0.0823417  -0.00101969 -0.043361   116 ALA   A H    
1545 H HA   . ALA   A 104 ? 0.404483 0.505413 0.399287 -0.0981716  -0.0265167  -0.0613007  116 ALA   A HA   
1546 H HB1  . ALA   A 104 ? 0.432839 0.493115 0.402401 -0.0882357  -0.016962   -0.0910994  116 ALA   A HB1  
1547 H HB2  . ALA   A 104 ? 0.405424 0.469864 0.354331 -0.0739013  -0.00497896 -0.0668719  116 ALA   A HB2  
1548 H HB3  . ALA   A 104 ? 0.425108 0.52196  0.365185 -0.0831717  -0.0195197  -0.0816846  116 ALA   A HB3  
1549 N N    . GLY   A 105 ? 0.326326 0.421793 0.290308 -0.0654414  -0.0030687  -0.0150558  117 GLY   A N    
1550 C CA   . GLY   A 105 ? 0.357644 0.463975 0.309782 -0.0532488  -0.00158014 0.00258289  117 GLY   A CA   
1551 C C    . GLY   A 105 ? 0.358446 0.468474 0.281944 -0.0504499  -0.00306866 -0.0014957  117 GLY   A C    
1552 O O    . GLY   A 105 ? 0.364357 0.464638 0.275738 -0.0532236  0.00055562  -0.0178663  117 GLY   A O    
1553 H H    . GLY   A 105 ? 0.338111 0.41462  0.308925 -0.0644785  0.00316947  -0.0150971  117 GLY   A H    
1554 H HA2  . GLY   A 105 ? 0.334432 0.427474 0.289463 -0.0456326  0.00594744  0.0105468   117 GLY   A HA2  
1555 H HA3  . GLY   A 105 ? 0.343633 0.469536 0.305003 -0.0542216  -0.00753562 0.00957162  117 GLY   A HA3  
1556 N N    . SER   A 106 ? 0.360532 0.485351 0.276199 -0.0439933  -0.0076529  0.0151617   118 SER   A N    
1557 C CA   . SER   A 106 ? 0.332925 0.466374 0.22372  -0.0428709  -0.00898783 0.020138    118 SER   A CA   
1558 C C    . SER   A 106 ? 0.338924 0.497158 0.228287 -0.0405303  -0.0214984  0.0381267   118 SER   A C    
1559 O O    . SER   A 106 ? 0.322152 0.474504 0.211696 -0.0319096  -0.0222814  0.057615    118 SER   A O    
1560 C CB   . SER   A 106 ? 0.31645  0.427278 0.203151 -0.0352009  0.00112742  0.0275142   118 SER   A CB   
1561 O OG   . SER   A 106 ? 0.376024 0.499497 0.241687 -0.0377221  0.00171693  0.0339308   118 SER   A OG   
1562 H H    . SER   A 106 ? 0.34325  0.473569 0.270964 -0.0399193  -0.00988475 0.025072    118 SER   A H    
1563 H HA   . SER   A 106 ? 0.350694 0.491578 0.230062 -0.0491407  -0.00954873 0.0063132   118 SER   A HA   
1564 H HB2  . SER   A 106 ? 0.322952 0.419396 0.213022 -0.0354536  0.00764255  0.016575    118 SER   A HB2  
1565 H HB3  . SER   A 106 ? 0.319427 0.423041 0.21589  -0.0282046  0.00028923  0.0389912   118 SER   A HB3  
1567 N N    . LEU   A 107 ? 0.331414 0.515147 0.223065 -0.0480491  -0.0327764  0.0302705   119 LEU   A N    
1568 C CA   . LEU   A 107 ? 0.348478 0.559588 0.245322 -0.0450493  -0.047488   0.0460434   119 LEU   A CA   
1569 C C    . LEU   A 107 ? 0.374235 0.600649 0.241744 -0.0437357  -0.0534222  0.0610418   119 LEU   A C    
1570 O O    . LEU   A 107 ? 0.363681 0.597277 0.203911 -0.0504074  -0.049405   0.049988    119 LEU   A O    
1571 C CB   . LEU   A 107 ? 0.393465 0.629776 0.304205 -0.0550776  -0.0592088  0.0312701   119 LEU   A CB   
1572 C CG   . LEU   A 107 ? 0.395964 0.627732 0.345048 -0.056366   -0.0555987  0.0288473   119 LEU   A CG   
1573 C CD1  . LEU   A 107 ? 0.48715  0.744635 0.452458 -0.0716327  -0.0690633  0.0115035   119 LEU   A CD1  
1574 C CD2  . LEU   A 107 ? 0.382985 0.623694 0.351921 -0.0419867  -0.0573448  0.0509443   119 LEU   A CD2  
1575 H H    . LEU   A 107 ? 0.343569 0.527798 0.235366 -0.0551176  -0.0325782  0.013677    119 LEU   A H    
1576 H HA   . LEU   A 107 ? 0.342144 0.545337 0.255114 -0.0366483  -0.0459865  0.0576991   119 LEU   A HA   
1577 H HB2  . LEU   A 107 ? 0.399266 0.635884 0.298019 -0.0630043  -0.0589264  0.013825    119 LEU   A HB2  
1578 H HB3  . LEU   A 107 ? 0.399644 0.659307 0.306912 -0.0537204  -0.0710461  0.0400467   119 LEU   A HB3  
1579 H HG   . LEU   A 107 ? 0.394518 0.602728 0.345825 -0.0567164  -0.0441811  0.0232958   119 LEU   A HG   
1580 H HD11 . LEU   A 107 ? 0.471057 0.717892 0.427587 -0.0794313  -0.0674097  -0.00559661 119 LEU   A HD11 
1581 H HD12 . LEU   A 107 ? 0.451919 0.712815 0.44491  -0.0735917  -0.0673307  0.0141683   119 LEU   A HD12 
1582 H HD13 . LEU   A 107 ? 0.474184 0.756159 0.432292 -0.0713834  -0.0816128  0.0148173   119 LEU   A HD13 
1583 H HD21 . LEU   A 107 ? 0.374478 0.594824 0.337723 -0.0332355  -0.0490346  0.0580521   119 LEU   A HD21 
1584 H HD22 . LEU   A 107 ? 0.393354 0.653497 0.357619 -0.0394332  -0.0688195  0.0590461   119 LEU   A HD22 
1585 H HD23 . LEU   A 107 ? 0.375032 0.623583 0.368423 -0.043557   -0.0557981  0.0495374   119 LEU   A HD23 
1586 N N    . PRO   A 108 ? 0.385545 0.623035 0.257485 -0.0352723  -0.0643855  0.0865696   120 PRO   A N    
1587 C CA   . PRO   A 108 ? 0.367474 0.607408 0.272268 -0.0253259  -0.0714661  0.0958182   120 PRO   A CA   
1588 C C    . PRO   A 108 ? 0.353634 0.561207 0.277784 -0.0122486  -0.0615807  0.10402     120 PRO   A C    
1589 O O    . PRO   A 108 ? 0.354658 0.56626  0.306369 -0.00242583 -0.063738   0.105905    120 PRO   A O    
1590 C CB   . PRO   A 108 ? 0.389767 0.654644 0.288914 -0.01931    -0.0896297  0.119853    120 PRO   A CB   
1591 C CG   . PRO   A 108 ? 0.39851  0.659874 0.261886 -0.023863   -0.0864628  0.132961    120 PRO   A CG   
1592 C CD   . PRO   A 108 ? 0.400532 0.659136 0.244721 -0.0357021  -0.0734448  0.106738    120 PRO   A CD   
1593 H HA   . PRO   A 108 ? 0.363572 0.614459 0.281729 -0.0300802  -0.0731802  0.0827565   120 PRO   A HA   
1594 H HB2  . PRO   A 108 ? 0.382894 0.640021 0.300926 -0.00818597 -0.0925837  0.132647    120 PRO   A HB2  
1595 H HB3  . PRO   A 108 ? 0.395581 0.687108 0.295329 -0.0237818  -0.100009   0.114022    120 PRO   A HB3  
1596 H HG2  . PRO   A 108 ? 0.399865 0.638769 0.26862  -0.0179799  -0.0816975  0.146517    120 PRO   A HG2  
1597 H HG3  . PRO   A 108 ? 0.424768 0.709673 0.274484 -0.0245884  -0.0980593  0.144737    120 PRO   A HG3  
1598 H HD2  . PRO   A 108 ? 0.406239 0.653044 0.237223 -0.036763   -0.064492   0.112314    120 PRO   A HD2  
1599 H HD3  . PRO   A 108 ? 0.417821 0.701066 0.246605 -0.0421124  -0.0801242  0.0970408   120 PRO   A HD3  
1600 N N    . LYS   A 109 ? 0.364966 0.544134 0.276617 -0.0126933  -0.0496928  0.103438    121 LYS   A N    
1601 C CA   . LYS   A 109 ? 0.36958  0.51804  0.296236 -0.00045711 -0.043338   0.108926    121 LYS   A CA   
1602 C C    . LYS   A 109 ? 0.343549 0.483219 0.287874 0.00376777  -0.0330229  0.0920252   121 LYS   A C    
1603 O O    . LYS   A 109 ? 0.35772  0.492645 0.32198  0.0179198   -0.0331147  0.0946862   121 LYS   A O    
1604 C CB   . LYS   A 109 ? 0.393131 0.517881 0.304706 -0.0041811  -0.0353129  0.112983    121 LYS   A CB   
1605 C CG   . LYS   A 109 ? 0.432664 0.523735 0.361013 0.00765783  -0.0320493  0.115852    121 LYS   A CG   
1606 C CD   . LYS   A 109 ? 0.482096 0.555367 0.40356  0.00232655  -0.0300712  0.128342    121 LYS   A CD   
1607 C CE   . LYS   A 109 ? 0.494651 0.579197 0.407762 -0.00327784 -0.0400187  0.15791     121 LYS   A CE   
1608 H H    . LYS   A 109 ? 0.370426 0.551066 0.264072 -0.0206767  -0.0458709  0.0979062   121 LYS   A H    
1609 H HA   . LYS   A 109 ? 0.376154 0.526371 0.314022 0.00867955  -0.0519072  0.12208     121 LYS   A HA   
1610 H HB2  . LYS   A 109 ? 0.414919 0.548484 0.31546  -0.00771224 -0.0407376  0.126885    121 LYS   A HB2  
1611 H HB3  . LYS   A 109 ? 0.391914 0.516434 0.293604 -0.011623   -0.0272171  0.0994488   121 LYS   A HB3  
1612 H HG2  . LYS   A 109 ? 0.414468 0.497524 0.346301 0.00929241  -0.0243031  0.101585    121 LYS   A HG2  
1613 H HG3  . LYS   A 109 ? 0.433352 0.523556 0.376156 0.0177554   -0.0396539  0.123146    121 LYS   A HG3  
1614 H HD2  . LYS   A 109 ? 0.463523 0.538618 0.373709 -0.0054833  -0.0211976  0.118476    121 LYS   A HD2  
1615 H HD3  . LYS   A 109 ? 0.467912 0.519704 0.403166 0.010034    -0.030472   0.127192    121 LYS   A HD3  
1618 N N    . ILE   A 110 ? 0.297494 0.43659  0.235354 -0.00738277 -0.0243103  0.0751941   122 ILE   A N    
1619 C CA   . ILE   A 110 ? 0.297918 0.427353 0.249879 -0.00481398 -0.0138776  0.0650112   122 ILE   A CA   
1620 C C    . ILE   A 110 ? 0.310799 0.461539 0.274287 -0.017307   -0.0154     0.0556784   122 ILE   A C    
1621 O O    . ILE   A 110 ? 0.339744 0.494041 0.29242  -0.0305672  -0.0180092  0.044363    122 ILE   A O    
1622 C CB   . ILE   A 110 ? 0.330782 0.43201  0.270422 -0.00664011 -0.00250811 0.0554954   122 ILE   A CB   
1623 C CG1  . ILE   A 110 ? 0.374918 0.455979 0.304763 -0.00031114 -0.00187771 0.0618194   122 ILE   A CG1  
1624 C CG2  . ILE   A 110 ? 0.314475 0.406618 0.265599 -0.00305195 0.0073732   0.0494744   122 ILE   A CG2  
1625 C CD1  . ILE   A 110 ? 0.402798 0.471819 0.345458 0.0157432   -0.00420827 0.0687507   122 ILE   A CD1  
1626 H H    . ILE   A 110 ? 0.316948 0.462102 0.241124 -0.0164206  -0.025138   0.0704128   122 ILE   A H    
1627 H HA   . ILE   A 110 ? 0.30049  0.429508 0.264587 0.00617502  -0.0137574  0.070284    122 ILE   A HA   
1628 H HB   . ILE   A 110 ? 0.333432 0.437768 0.264128 -0.0164755  -0.00229158 0.047941    122 ILE   A HB   
1629 H HG12 . ILE   A 110 ? 0.380171 0.469089 0.301657 -0.0046734  -0.00697279 0.0683871   122 ILE   A HG12 
1630 H HG13 . ILE   A 110 ? 0.367158 0.43574  0.290971 -0.00295804 0.00459728  0.0542107   122 ILE   A HG13 
1631 H HG21 . ILE   A 110 ? 0.314205 0.388384 0.258074 -0.00074825 0.0125435   0.0457576   122 ILE   A HG21 
1632 H HG22 . ILE   A 110 ? 0.313519 0.411852 0.275019 0.00616891  0.00732193  0.0547935   122 ILE   A HG22 
1633 H HG23 . ILE   A 110 ? 0.317496 0.416949 0.273745 -0.0120057  0.00825121  0.0443888   122 ILE   A HG23 
1634 H HD11 . ILE   A 110 ? 0.385703 0.450838 0.333724 0.0210801   0.00135204  0.0623802   122 ILE   A HD11 
1635 H HD12 . ILE   A 110 ? 0.396336 0.450546 0.335159 0.0170907   -0.00485363 0.0715923   122 ILE   A HD12 
1636 H HD13 . ILE   A 110 ? 0.398479 0.479151 0.349032 0.0200544   -0.0112318  0.0764666   122 ILE   A HD13 
1637 N N    . PRO   A 111 ? 0.312907 0.479319 0.301659 -0.0137778  -0.0133568  0.0585605   123 PRO   A N    
1638 C CA   . PRO   A 111 ? 0.317602 0.50401  0.325016 -0.0288005  -0.0153422  0.0516783   123 PRO   A CA   
1639 C C    . PRO   A 111 ? 0.30182  0.464975 0.309587 -0.0386221  -0.00435464 0.0421437   123 PRO   A C    
1640 O O    . PRO   A 111 ? 0.354636 0.491417 0.349838 -0.0319598  0.00536793  0.0417047   123 PRO   A O    
1641 C CB   . PRO   A 111 ? 0.351539 0.567441 0.388942 -0.0204527  -0.0152691  0.0619287   123 PRO   A CB   
1642 C CG   . PRO   A 111 ? 0.336211 0.537451 0.368809 0.00038823  -0.0067124  0.0685086   123 PRO   A CG   
1643 C CD   . PRO   A 111 ? 0.344036 0.513416 0.347528 0.00446738  -0.0092243  0.0673035   123 PRO   A CD   
1644 H HA   . PRO   A 111 ? 0.330691 0.528441 0.332655 -0.0365826  -0.0250829  0.0473824   123 PRO   A HA   
1645 H HB2  . PRO   A 111 ? 0.338171 0.562449 0.392485 -0.028447   -0.0102562  0.0605551   123 PRO   A HB2  
1646 H HB3  . PRO   A 111 ? 0.345188 0.581851 0.388706 -0.020034   -0.026171   0.0651025   123 PRO   A HB3  
1647 H HG2  . PRO   A 111 ? 0.33441  0.529935 0.37065  0.00141203  0.00406476  0.0675615   123 PRO   A HG2  
1648 H HG3  . PRO   A 111 ? 0.339569 0.558859 0.38561  0.0106633   -0.0107616  0.0743684   123 PRO   A HG3  
1649 H HD2  . PRO   A 111 ? 0.329152 0.479335 0.325969 0.0100681   -0.00106901 0.0650359   123 PRO   A HD2  
1650 H HD3  . PRO   A 111 ? 0.338149 0.51086  0.341339 0.0126872   -0.0168514  0.0740469   123 PRO   A HD3  
1651 N N    . SER   A 112 ? 0.340653 0.515009 0.366539 -0.0552813  -0.00886982 0.0345212   124 SER   A N    
1652 C CA   . SER   A 112 ? 0.347504 0.50188  0.384945 -0.0667921  -0.00171859 0.0286454   124 SER   A CA   
1653 C C    . SER   A 112 ? 0.324666 0.47632  0.374216 -0.0583889  0.0134658   0.04476     124 SER   A C    
1654 O O    . SER   A 112 ? 0.304003 0.482956 0.368015 -0.0502281  0.0168247   0.0567844   124 SER   A O    
1655 C CB   . SER   A 112 ? 0.434991 0.609457 0.499048 -0.0862644  -0.0134764  0.0200242   124 SER   A CB   
1656 O OG   . SER   A 112 ? 0.493263 0.643942 0.574102 -0.0992373  -0.00889352 0.015367    124 SER   A OG   
1657 H H    . SER   A 112 ? 0.340033 0.535563 0.373484 -0.0600363  -0.0184612  0.0332727   124 SER   A H    
1658 H HA   . SER   A 112 ? 0.359968 0.492062 0.380408 -0.0669162  -0.00053047 0.0194683   124 SER   A HA   
1659 H HB2  . SER   A 112 ? 0.434475 0.613347 0.486118 -0.0895285  -0.0236467  0.00832333  124 SER   A HB2  
1660 H HB3  . SER   A 112 ? 0.421242 0.621253 0.504671 -0.086276   -0.0146902  0.0294514   124 SER   A HB3  
1662 N N    . ASN   A 113 ? 0.293903 0.415433 0.336456 -0.0586613  0.0223833   0.0444565   125 ASN   A N    
1663 C CA   . ASN   A 113 ? 0.303495 0.423611 0.354237 -0.0533943  0.0361042   0.0602085   125 ASN   A CA   
1664 C C    . ASN   A 113 ? 0.308406 0.440234 0.344482 -0.0308793  0.0430203   0.0677799   125 ASN   A C    
1665 O O    . ASN   A 113 ? 0.319104 0.474068 0.367541 -0.0248355  0.0532108   0.0808926   125 ASN   A O    
1666 C CB   . ASN   A 113 ? 0.33552  0.47663  0.423163 -0.070956   0.037614    0.0703384   125 ASN   A CB   
1667 C CG   . ASN   A 113 ? 0.334585 0.450074 0.435752 -0.0912948  0.0291542   0.0588402   125 ASN   A CG   
1668 O OD1  . ASN   A 113 ? 0.382439 0.460918 0.4689   -0.0894178  0.0302339   0.0519211   125 ASN   A OD1  
1669 N ND2  . ASN   A 113 ? 0.339283 0.474688 0.471772 -0.109769   0.019566    0.0552245   125 ASN   A ND2  
1670 H H    . ASN   A 113 ? 0.30976  0.412105 0.341013 -0.0615596  0.0196003   0.0340635   125 ASN   A H    
1671 H HA   . ASN   A 113 ? 0.314041 0.408753 0.355666 -0.0534994  0.0390243   0.0579253   125 ASN   A HA   
1672 H HB2  . ASN   A 113 ? 0.321493 0.489759 0.421805 -0.0725416  0.0329431   0.0707413   125 ASN   A HB2  
1673 H HB3  . ASN   A 113 ? 0.327437 0.473205 0.419943 -0.0674447  0.0483089   0.0841205   125 ASN   A HB3  
1674 H HD21 . ASN   A 113 ? 0.352171 0.475298 0.488661 -0.119535   0.0102751   0.0413212   125 ASN   A HD21 
1675 H HD22 . ASN   A 113 ? 0.33764  0.500094 0.48839  -0.112276   0.0219334   0.0655383   125 ASN   A HD22 
1676 N N    . ALA   A 114 ? 0.284516 0.402469 0.29704  -0.0191333  0.0374579   0.0591902   126 ALA   A N    
1677 C CA   . ALA   A 114 ? 0.293058 0.416324 0.295907 0.00173445  0.0399127   0.0622881   126 ALA   A CA   
1678 C C    . ALA   A 114 ? 0.298071 0.400546 0.2836   0.0138103   0.0487839   0.0626083   126 ALA   A C    
1679 O O    . ALA   A 114 ? 0.322402 0.398216 0.29556  0.00943282  0.048506    0.057563    126 ALA   A O    
1680 C CB   . ALA   A 114 ? 0.293342 0.411195 0.28539  0.00717467  0.028984    0.0572098   126 ALA   A CB   
1681 H H    . ALA   A 114 ? 0.293451 0.39847  0.297282 -0.0245442  0.0318831   0.0509242   126 ALA   A H    
1682 H HA   . ALA   A 114 ? 0.290879 0.438739 0.308456 0.00541355  0.0427735   0.0684777   126 ALA   A HA   
1683 H HB1  . ALA   A 114 ? 0.29363  0.427478 0.294798 0.00072794  0.022418    0.0580958   126 ALA   A HB1  
1684 H HB2  . ALA   A 114 ? 0.293145 0.391298 0.271766 0.00359507  0.027473    0.0517887   126 ALA   A HB2  
1685 H HB3  . ALA   A 114 ? 0.291377 0.410465 0.281626 0.0209893   0.0292889   0.0587918   126 ALA   A HB3  
1686 N N    . THR   A 115 ? 0.28578  0.406148 0.271923 0.0303846   0.0564543   0.0676324   127 THR   A N    
1687 C CA   . THR   A 115 ? 0.313688 0.419817 0.27922  0.0463958   0.0614435   0.0646099   127 THR   A CA   
1688 C C    . THR   A 115 ? 0.314319 0.408758 0.271332 0.0622969   0.0519668   0.0527993   127 THR   A C    
1689 O O    . THR   A 115 ? 0.315181 0.426069 0.285094 0.0694631   0.0472943   0.0521132   127 THR   A O    
1690 C CB   . THR   A 115 ? 0.325295 0.461782 0.292891 0.0574563   0.0747508   0.0738251   127 THR   A CB   
1691 O OG1  . THR   A 115 ? 0.323739 0.466676 0.303627 0.0391105   0.0824544   0.089046    127 THR   A OG1  
1692 C CG2  . THR   A 115 ? 0.369044 0.495079 0.310772 0.0755174   0.0777796   0.0684227   127 THR   A CG2  
1693 H H    . THR   A 115 ? 0.29385  0.438271 0.293633 0.0324175   0.0581501   0.0717147   127 THR   A H    
1694 H HA   . THR   A 115 ? 0.3119   0.398304 0.269099 0.0403197   0.061459    0.0641011   127 THR   A HA   
1695 H HB   . THR   A 115 ? 0.32905  0.488551 0.307892 0.0644019   0.0755139   0.0732965   127 THR   A HB   
1697 H HG21 . THR   A 115 ? 0.368277 0.518412 0.308579 0.0838395   0.0868744   0.0738672   127 THR   A HG21 
1698 H HG22 . THR   A 115 ? 0.361125 0.468361 0.294518 0.0688031   0.0774111   0.0712381   127 THR   A HG22 
1699 H HG23 . THR   A 115 ? 0.356986 0.472509 0.292745 0.0858821   0.0703879   0.0565403   127 THR   A HG23 
1700 N N    . LEU   A 116 ? 0.319022 0.384802 0.259222 0.0661923   0.0478132   0.0448062   128 LEU   A N    
1701 C CA   . LEU   A 116 ? 0.319951 0.368415 0.256793 0.0766721   0.0372319   0.0348281   128 LEU   A CA   
1702 C C    . LEU   A 116 ? 0.353219 0.39671  0.277532 0.0961      0.0374052   0.0244365   128 LEU   A C    
1703 O O    . LEU   A 116 ? 0.346201 0.389658 0.256414 0.097595    0.0438442   0.0256417   128 LEU   A O    
1704 C CB   . LEU   A 116 ? 0.308366 0.332017 0.241142 0.0643212   0.0303045   0.0324755   128 LEU   A CB   
1705 C CG   . LEU   A 116 ? 0.388257 0.415918 0.325854 0.0456793   0.0289434   0.0380759   128 LEU   A CG   
1706 C CD1  . LEU   A 116 ? 0.392631 0.405663 0.327643 0.0403194   0.0210732   0.0372524   128 LEU   A CD1  
1707 C CD2  . LEU   A 116 ? 0.362081 0.411714 0.310662 0.0398982   0.0285898   0.0444398   128 LEU   A CD2  
1708 H H    . LEU   A 116 ? 0.319652 0.376438 0.252963 0.0616968   0.0510573   0.0463238   128 LEU   A H    
1709 H HA   . LEU   A 116 ? 0.322829 0.381192 0.269924 0.0806108   0.0336199   0.0358993   128 LEU   A HA   
1710 H HB2  . LEU   A 116 ? 0.328171 0.341983 0.252812 0.0637244   0.0327312   0.0296259   128 LEU   A HB2  
1711 H HB3  . LEU   A 116 ? 0.331324 0.345395 0.265929 0.0704428   0.0233823   0.0286662   128 LEU   A HB3  
1712 H HG   . LEU   A 116 ? 0.364108 0.387144 0.297842 0.0385026   0.0332881   0.0370216   128 LEU   A HG   
1713 H HD11 . LEU   A 116 ? 0.391351 0.391225 0.321767 0.0418009   0.021537    0.0324214   128 LEU   A HD11 
1714 H HD12 . LEU   A 116 ? 0.388761 0.407102 0.322466 0.0293223   0.0210834   0.039212    128 LEU   A HD12 
1715 H HD13 . LEU   A 116 ? 0.394638 0.407852 0.335124 0.046576    0.0153773   0.0400004   128 LEU   A HD13 
1716 H HD21 . LEU   A 116 ? 0.368604 0.428214 0.320974 0.0380884   0.0347859   0.0466499   128 LEU   A HD21 
1717 H HD22 . LEU   A 116 ? 0.371994 0.428771 0.326821 0.0487294   0.0246704   0.0462062   128 LEU   A HD22 
1718 H HD23 . LEU   A 116 ? 0.368597 0.418345 0.316354 0.0289531   0.025484    0.0450016   128 LEU   A HD23 
1719 N N    . PHE   A 117 ? 0.327424 0.363538 0.257365 0.110675    0.0276946   0.0138022   129 PHE   A N    
1720 C CA   . PHE   A 117 ? 0.339091 0.364618 0.258708 0.129123    0.0221832   -0.00289852 129 PHE   A CA   
1721 C C    . PHE   A 117 ? 0.375086 0.368385 0.303096 0.127001    0.00678701  -0.0112099  129 PHE   A C    
1722 O O    . PHE   A 117 ? 0.371405 0.355484 0.316205 0.121054    -0.00054221 -0.00485281 129 PHE   A O    
1723 C CB   . PHE   A 117 ? 0.343734 0.392991 0.267405 0.151517    0.0247268   -0.0119005  129 PHE   A CB   
1724 C CG   . PHE   A 117 ? 0.386802 0.426548 0.300345 0.173572    0.0163298   -0.0353138  129 PHE   A CG   
1725 C CD1  . PHE   A 117 ? 0.432876 0.445397 0.362808 0.181758    -0.00077968 -0.0497949  129 PHE   A CD1  
1726 C CD2  . PHE   A 117 ? 0.415781 0.474382 0.304365 0.185921    0.024202    -0.0422561  129 PHE   A CD2  
1727 C CE1  . PHE   A 117 ? 0.477543 0.47899  0.400724 0.201205    -0.0113901  -0.0757347  129 PHE   A CE1  
1728 C CE2  . PHE   A 117 ? 0.423585 0.476225 0.300222 0.206912    0.0142561   -0.0676015  129 PHE   A CE2  
1729 C CZ   . PHE   A 117 ? 0.451018 0.474674 0.345974 0.214729    -0.00404462 -0.0867994  129 PHE   A CZ   
1730 H H    . PHE   A 117 ? 0.332365 0.369383 0.273806 0.109266    0.0230963   0.0165058   129 PHE   A H    
1731 H HA   . PHE   A 117 ? 0.345739 0.372881 0.251667 0.128721    0.0269529   -0.00277165 129 PHE   A HA   
1732 H HB2  . PHE   A 117 ? 0.349149 0.42244  0.267807 0.151693    0.0361429   -0.00483919 129 PHE   A HB2  
1733 H HB3  . PHE   A 117 ? 0.348695 0.398057 0.288254 0.15196     0.0201495   -0.00979685 129 PHE   A HB3  
1734 H HD1  . PHE   A 117 ? 0.421595 0.422075 0.367217 0.173179    -0.00620387 -0.041723   129 PHE   A HD1  
1735 H HD2  . PHE   A 117 ? 0.402726 0.478185 0.282449 0.179538    0.0354796   -0.0292518  129 PHE   A HD2  
1736 H HE1  . PHE   A 117 ? 0.474074 0.454065 0.412052 0.205832    -0.0242717  -0.0858784  129 PHE   A HE1  
1737 H HE2  . PHE   A 117 ? 0.444047 0.512601 0.300394 0.215861    0.0192029   -0.0716953  129 PHE   A HE2  
1738 H HZ   . PHE   A 117 ? 0.476403 0.494858 0.365099 0.228927    -0.012519   -0.106864   129 PHE   A HZ   
1739 N N    . PHE   A 118 ? 0.35862  0.336244 0.277327 0.129708    0.00114148  -0.0222896  130 PHE   A N    
1740 C CA   . PHE   A 118 ? 0.370992 0.32111  0.303565 0.128549    -0.0142781  -0.0315368  130 PHE   A CA   
1741 C C    . PHE   A 118 ? 0.423813 0.366281 0.350979 0.148057    -0.0251491  -0.0559792  130 PHE   A C    
1742 O O    . PHE   A 118 ? 0.416171 0.372553 0.321125 0.156725    -0.0204244  -0.062867   130 PHE   A O    
1743 C CB   . PHE   A 118 ? 0.374493 0.313938 0.307825 0.109162    -0.0138355  -0.0237473  130 PHE   A CB   
1744 C CG   . PHE   A 118 ? 0.325847 0.270056 0.264307 0.0894775   -0.00659951 -0.00507885 130 PHE   A CG   
1745 C CD1  . PHE   A 118 ? 0.350009 0.31043  0.276891 0.0822606   0.00598281  0.00321568  130 PHE   A CD1  
1746 C CD2  . PHE   A 118 ? 0.364535 0.298115 0.319276 0.0788837   -0.0133381  0.00418579  130 PHE   A CD2  
1747 C CE1  . PHE   A 118 ? 0.324369 0.290626 0.254328 0.0657457   0.010577    0.0147122   130 PHE   A CE1  
1748 C CE2  . PHE   A 118 ? 0.333713 0.277346 0.287033 0.0622004   -0.00685397 0.0193906   130 PHE   A CE2  
1749 C CZ   . PHE   A 118 ? 0.326025 0.286311 0.26656  0.0567999   0.00423003  0.0218944   130 PHE   A CZ   
1750 H H    . PHE   A 118 ? 0.365477 0.350398 0.270723 0.131773    0.00633144  -0.0230506  130 PHE   A H    
1751 H HA   . PHE   A 118 ? 0.381192 0.325269 0.328168 0.127407    -0.0189914  -0.0273592  130 PHE   A HA   
1752 H HB2  . PHE   A 118 ? 0.361216 0.307026 0.281551 0.111056    -0.00931618 -0.026102   130 PHE   A HB2  
1753 H HB3  . PHE   A 118 ? 0.370847 0.294844 0.314832 0.108199    -0.0237492  -0.030086   130 PHE   A HB3  
1754 H HD1  . PHE   A 118 ? 0.339541 0.306978 0.256701 0.0886234   0.0106517   0.00070737  130 PHE   A HD1  
1755 H HD2  . PHE   A 118 ? 0.362566 0.282217 0.328896 0.0822392   -0.0227027  0.0001768   130 PHE   A HD2  
1756 H HE1  . PHE   A 118 ? 0.321746 0.296417 0.246669 0.0605452   0.0173319   0.0179704   130 PHE   A HE1  
1757 H HE2  . PHE   A 118 ? 0.343557 0.283149 0.305156 0.0551697   -0.0108998  0.0280852   130 PHE   A HE2  
1758 H HZ   . PHE   A 118 ? 0.320689 0.288295 0.259866 0.0464478   0.00714081  0.0288943   130 PHE   A HZ   
1759 N N    . GLU   A 119 ? 0.420999 0.338912 0.369517 0.151708    -0.0414856  -0.0671696  131 GLU   A N    
1760 C CA   . GLU   A 119 ? 0.469501 0.37074  0.421247 0.161784    -0.0575965  -0.0915951  131 GLU   A CA   
1761 C C    . GLU   A 119 ? 0.480009 0.358857 0.453001 0.14004     -0.0667055  -0.0838423  131 GLU   A C    
1762 O O    . GLU   A 119 ? 0.509655 0.372517 0.506773 0.126618    -0.0706026  -0.0689445  131 GLU   A O    
1763 C CB   . GLU   A 119 ? 0.439722 0.330794 0.404416 0.184018    -0.0699129  -0.11325    131 GLU   A CB   
1764 C CG   . GLU   A 119 ? 0.5202   0.393108 0.490063 0.197732    -0.0901475  -0.145916   131 GLU   A CG   
1765 C CD   . GLU   A 119 ? 0.513747 0.374904 0.498753 0.222421    -0.102736   -0.171205   131 GLU   A CD   
1766 O OE1  . GLU   A 119 ? 0.528177 0.414935 0.49305  0.248784    -0.0967165  -0.190659   131 GLU   A OE1  
1767 O OE2  . GLU   A 119 ? 0.590299 0.414946 0.611953 0.216039    -0.119828   -0.171691   131 GLU   A OE2  
1768 H H    . GLU   A 119 ? 0.429943 0.340609 0.393294 0.147371    -0.0439063  -0.0589351  131 GLU   A H    
1769 H HA   . GLU   A 119 ? 0.456925 0.37216  0.388334 0.168766    -0.053662   -0.0986464  131 GLU   A HA   
1770 H HB2  . GLU   A 119 ? 0.464061 0.376618 0.414901 0.197056    -0.0606902  -0.115922   131 GLU   A HB2  
1771 H HB3  . GLU   A 119 ? 0.462757 0.338993 0.44851  0.177711    -0.0744301  -0.103692   131 GLU   A HB3  
1772 H HG2  . GLU   A 119 ? 0.498541 0.351112 0.486633 0.183602    -0.099788   -0.14271    131 GLU   A HG2  
1773 H HG3  . GLU   A 119 ? 0.500663 0.390451 0.4472   0.205071    -0.0867157  -0.155119   131 GLU   A HG3  
1774 N N    . ILE   A 120 ? 0.462508 0.342161 0.42866  0.139133    -0.0723296  -0.0954891  132 ILE   A N    
1775 C CA   . ILE   A 120 ? 0.430431 0.298961 0.417943 0.118554    -0.0780083  -0.0879904  132 ILE   A CA   
1776 C C    . ILE   A 120 ? 0.459139 0.314752 0.460509 0.124478    -0.0989122  -0.113191   132 ILE   A C    
1777 O O    . ILE   A 120 ? 0.457884 0.325694 0.435821 0.141667    -0.102905   -0.13228    132 ILE   A O    
1778 C CB   . ILE   A 120 ? 0.435991 0.323751 0.407959 0.107477    -0.0630597  -0.0733927  132 ILE   A CB   
1779 C CG1  . ILE   A 120 ? 0.401045 0.30183  0.359832 0.101185    -0.0442359  -0.0521918  132 ILE   A CG1  
1780 C CG2  . ILE   A 120 ? 0.434618 0.317426 0.432821 0.0880264   -0.067724   -0.0676066  132 ILE   A CG2  
1781 C CD1  . ILE   A 120 ? 0.416557 0.332476 0.36062  0.0934122   -0.0304996  -0.0414585  132 ILE   A CD1  
1782 H H    . ILE   A 120 ? 0.469966 0.36016  0.418334 0.152055    -0.072551   -0.107761   132 ILE   A H    
1783 H HA   . ILE   A 120 ? 0.439839 0.297757 0.445822 0.107684    -0.0787973  -0.0760163  132 ILE   A HA   
1784 H HB   . ILE   A 120 ? 0.432756 0.329664 0.387429 0.118172    -0.0634777  -0.0827159  132 ILE   A HB   
1785 H HG12 . ILE   A 120 ? 0.408777 0.303025 0.382063 0.0908147   -0.0443128  -0.0420376  132 ILE   A HG12 
1786 H HG13 . ILE   A 120 ? 0.417824 0.323944 0.365505 0.113046    -0.0419529  -0.0558289  132 ILE   A HG13 
1787 H HG21 . ILE   A 120 ? 0.417086 0.311545 0.408367 0.0811207   -0.0570424  -0.0576498  132 ILE   A HG21 
1788 H HG22 . ILE   A 120 ? 0.435854 0.3084   0.453098 0.0784314   -0.0704103  -0.0597356  132 ILE   A HG22 
1789 H HG23 . ILE   A 120 ? 0.443934 0.324027 0.448072 0.0924137   -0.0789349  -0.0816752  132 ILE   A HG23 
1790 H HD11 . ILE   A 120 ? 0.41119  0.332684 0.341773 0.103096    -0.0312363  -0.0484705  132 ILE   A HD11 
1791 H HD12 . ILE   A 120 ? 0.397114 0.320029 0.334496 0.0903491   -0.02102    -0.0313421  132 ILE   A HD12 
1792 H HD13 . ILE   A 120 ? 0.399245 0.313201 0.355269 0.0821432   -0.0309031  -0.0377263  132 ILE   A HD13 
1793 N N    . GLU   A 121 ? 0.470028 0.303549 0.509716 0.108878    -0.111899   -0.110573   133 GLU   A N    
1794 C CA   . GLU   A 121 ? 0.507898 0.329393 0.571763 0.10684     -0.133292   -0.131594   133 GLU   A CA   
1795 C C    . GLU   A 121 ? 0.468312 0.300609 0.552241 0.0833604   -0.128972   -0.115191   133 GLU   A C    
1796 O O    . GLU   A 121 ? 0.466735 0.295453 0.573673 0.0625425   -0.121496   -0.0904195  133 GLU   A O    
1797 C CB   . GLU   A 121 ? 0.533576 0.320372 0.634713 0.10652     -0.153959   -0.142691   133 GLU   A CB   
1798 C CG   . GLU   A 121 ? 0.572077 0.344035 0.703386 0.104137    -0.180137   -0.169294   133 GLU   A CG   
1799 C CD   . GLU   A 121 ? 0.615342 0.346382 0.792286 0.10094     -0.203621   -0.180439   133 GLU   A CD   
1800 O OE1  . GLU   A 121 ? 0.642171 0.355324 0.825535 0.103996    -0.200254   -0.167844   133 GLU   A OE1  
1801 O OE2  . GLU   A 121 ? 0.645689 0.360225 0.857055 0.0944226   -0.227095   -0.200401   133 GLU   A OE2  
1802 H H    . GLU   A 121 ? 0.467709 0.294529 0.520165 0.0983548   -0.107699   -0.0939888  133 GLU   A H    
1803 H HA   . GLU   A 121 ? 0.508501 0.339316 0.552486 0.121941    -0.137932   -0.150316   133 GLU   A HA   
1804 H HB2  . GLU   A 121 ? 0.550093 0.332289 0.638896 0.123455    -0.155287   -0.153738   133 GLU   A HB2  
1805 H HB3  . GLU   A 121 ? 0.531445 0.309681 0.65202  0.0909992   -0.149721   -0.120889   133 GLU   A HB3  
1806 H HG2  . GLU   A 121 ? 0.557221 0.338519 0.701908 0.0879164   -0.177904   -0.158291   133 GLU   A HG2  
1807 H HG3  . GLU   A 121 ? 0.580308 0.362432 0.689292 0.121012    -0.185513   -0.191924   133 GLU   A HG3  
1808 N N    . LEU   A 122 ? 0.492697 0.340386 0.570597 0.0880438   -0.135923   -0.130534   134 LEU   A N    
1809 C CA   . LEU   A 122 ? 0.474706 0.337544 0.576403 0.0691075   -0.133127   -0.119177   134 LEU   A CA   
1810 C C    . LEU   A 122 ? 0.494645 0.342171 0.645766 0.0558877   -0.155719   -0.130232   134 LEU   A C    
1811 O O    . LEU   A 122 ? 0.552509 0.394567 0.709296 0.0667887   -0.177952   -0.158874   134 LEU   A O    
1812 C CB   . LEU   A 122 ? 0.446758 0.33506  0.524477 0.0796139   -0.129978   -0.125713   134 LEU   A CB   
1813 C CG   . LEU   A 122 ? 0.441855 0.350376 0.547857 0.0638805   -0.127386   -0.117013   134 LEU   A CG   
1814 C CD1  . LEU   A 122 ? 0.419121 0.333591 0.537475 0.0444165   -0.106231   -0.0899739  134 LEU   A CD1  
1815 C CD2  . LEU   A 122 ? 0.431189 0.361172 0.510893 0.0786592   -0.124642   -0.121167   134 LEU   A CD2  
1816 H H    . LEU   A 122 ? 0.498374 0.349608 0.557382 0.103998    -0.142462   -0.147999   134 LEU   A H    
1817 H HA   . LEU   A 122 ? 0.454559 0.321402 0.559898 0.056932    -0.118749   -0.0982442  134 LEU   A HA   
1818 H HB2  . LEU   A 122 ? 0.44083  0.335783 0.49064  0.0861908   -0.1158     -0.116642   134 LEU   A HB2  
1819 H HB3  . LEU   A 122 ? 0.471599 0.35864  0.541167 0.092766    -0.144313   -0.145668   134 LEU   A HB3  
1820 H HG   . LEU   A 122 ? 0.452426 0.357632 0.587824 0.0574725   -0.14271    -0.127004   134 LEU   A HG   
1821 H HD11 . LEU   A 122 ? 0.427226 0.330836 0.569203 0.0326622   -0.110359   -0.0847092  134 LEU   A HD11 
1822 H HD12 . LEU   A 122 ? 0.408652 0.340961 0.538055 0.0386125   -0.100976   -0.0856756  134 LEU   A HD12 
1823 H HD13 . LEU   A 122 ? 0.410354 0.323344 0.502809 0.0495904   -0.0939896  -0.0819666  134 LEU   A HD13 
1824 H HD21 . LEU   A 122 ? 0.449888 0.378994 0.517639 0.091929    -0.138456   -0.137538   134 LEU   A HD21 
1825 H HD22 . LEU   A 122 ? 0.421043 0.352798 0.475865 0.0831211   -0.110038   -0.110413   134 LEU   A HD22 
1826 H HD23 . LEU   A 122 ? 0.424567 0.368259 0.525526 0.0706721   -0.124234   -0.117831   134 LEU   A HD23 
1827 N N    . LEU   A 123 ? 0.509425 0.352056 0.697842 0.0310492   -0.150542   -0.106513   135 LEU   A N    
1828 C CA   . LEU   A 123 ? 0.537087 0.361631 0.780006 0.0145475   -0.171967   -0.11183    135 LEU   A CA   
1829 C C    . LEU   A 123 ? 0.518117 0.369988 0.790635 0.00190045  -0.177055   -0.11578    135 LEU   A C    
1830 O O    . LEU   A 123 ? 0.540054 0.385074 0.846736 -0.0013019  -0.201843   -0.137333   135 LEU   A O    
1831 C CB   . LEU   A 123 ? 0.546089 0.355525 0.815895 -0.00686349 -0.163624   -0.0790471  135 LEU   A CB   
1832 C CG   . LEU   A 123 ? 0.549819 0.334595 0.795459 0.00646231  -0.160347   -0.0735487  135 LEU   A CG   
1833 C CD1  . LEU   A 123 ? 0.587515 0.362842 0.853352 -0.0135784  -0.151032   -0.0354449  135 LEU   A CD1  
1834 C CD2  . LEU   A 123 ? 0.573689 0.325251 0.828688 0.0244836   -0.18687    -0.107079   135 LEU   A CD2  
1835 H H    . LEU   A 123 ? 0.487693 0.339135 0.668392 0.0237566   -0.133996   -0.0864301  135 LEU   A H    
1836 H HA   . LEU   A 123 ? 0.558863 0.364405 0.802319 0.0266      -0.189388   -0.134366   135 LEU   A HA   
1837 H HB2  . LEU   A 123 ? 0.522854 0.354793 0.789768 -0.0179903  -0.146237   -0.0587163  135 LEU   A HB2  
1838 H HB3  . LEU   A 123 ? 0.564535 0.360081 0.874253 -0.0195538  -0.178175   -0.0799642  135 LEU   A HB3  
1839 H HG   . LEU   A 123 ? 0.534322 0.333853 0.742462 0.0189114   -0.147193   -0.0745699  135 LEU   A HG   
1840 H HD11 . LEU   A 123 ? 0.558712 0.358403 0.823146 -0.0266394  -0.135901   -0.0170408  135 LEU   A HD11 
1841 H HD12 . LEU   A 123 ? 0.576073 0.343882 0.820218 -0.00295633 -0.146084   -0.0311826  135 LEU   A HD12 
1842 H HD13 . LEU   A 123 ? 0.602044 0.355947 0.904649 -0.0236913  -0.16563    -0.0333737  135 LEU   A HD13 
1843 H HD21 . LEU   A 123 ? 0.573982 0.335806 0.800964 0.0421244   -0.188209   -0.128426   135 LEU   A HD21 
1844 H HD22 . LEU   A 123 ? 0.596908 0.33654  0.888588 0.0136626   -0.202784   -0.113697   135 LEU   A HD22 
1845 H HD23 . LEU   A 123 ? 0.588507 0.321305 0.841901 0.0299115   -0.187394   -0.101396   135 LEU   A HD23 
1846 N N    . ASP   A 124 ? 0.496177 0.380991 0.758372 -0.00481278 -0.154137   -0.0963391  136 ASP   A N    
1847 C CA   . ASP   A 124 ? 0.462741 0.378976 0.759507 -0.0177902  -0.155061   -0.0954436  136 ASP   A CA   
1848 C C    . ASP   A 124 ? 0.451915 0.401468 0.724132 -0.0158249  -0.12773    -0.0794774  136 ASP   A C    
1849 O O    . ASP   A 124 ? 0.449023 0.395846 0.689995 -0.014261   -0.10771    -0.0627746  136 ASP   A O    
1850 C CB   . ASP   A 124 ? 0.463762 0.379736 0.82252  -0.0480903  -0.159598   -0.077913   136 ASP   A CB   
1851 C CG   . ASP   A 124 ? 0.495898 0.437304 0.906139 -0.0602138  -0.174641   -0.0892046  136 ASP   A CG   
1852 O OD1  . ASP   A 124 ? 0.481885 0.442993 0.877899 -0.043395   -0.182114   -0.110882   136 ASP   A OD1  
1853 O OD2  . ASP   A 124 ? 0.603981 0.543398 1.07147  -0.0864121  -0.182033   -0.0762815  136 ASP   A OD2  
1854 H H    . ASP   A 124 ? 0.473259 0.361913 0.708055 -0.00066082 -0.137972   -0.0845635  136 ASP   A H    
1855 H HA   . ASP   A 124 ? 0.478047 0.396442 0.775221 -0.007354   -0.171067   -0.117196   136 ASP   A HA   
1856 H HB2  . ASP   A 124 ? 0.494205 0.380818 0.864096 -0.0505611  -0.171978   -0.0803598  136 ASP   A HB2  
1857 H HB3  . ASP   A 124 ? 0.459644 0.389173 0.81783  -0.0591124  -0.140194   -0.05419    136 ASP   A HB3  
1858 N N    . PHE   A 125 ? 0.439187 0.420639 0.729028 -0.0151059  -0.128948   -0.0867712  137 PHE   A N    
1859 C CA   . PHE   A 125 ? 0.39596  0.411088 0.680945 -0.017363   -0.104428   -0.0724091  137 PHE   A CA   
1860 C C    . PHE   A 125 ? 0.393912 0.447123 0.730858 -0.0291337  -0.107436   -0.0739915  137 PHE   A C    
1861 O O    . PHE   A 125 ? 0.384925 0.439978 0.75192  -0.0290125  -0.131482   -0.0912915  137 PHE   A O    
1862 C CB   . PHE   A 125 ? 0.391648 0.403721 0.625213 0.00838258  -0.0994693  -0.0819589  137 PHE   A CB   
1863 C CG   . PHE   A 125 ? 0.410618 0.420994 0.634523 0.0283738   -0.122311   -0.105482   137 PHE   A CG   
1864 C CD1  . PHE   A 125 ? 0.392817 0.432123 0.633033 0.0357061   -0.127015   -0.112552   137 PHE   A CD1  
1865 C CD2  . PHE   A 125 ? 0.4621   0.445786 0.657327 0.042476    -0.138307   -0.120328   137 PHE   A CD2  
1866 C CE1  . PHE   A 125 ? 0.437533 0.478102 0.664243 0.0553876   -0.149198   -0.131354   137 PHE   A CE1  
1867 C CE2  . PHE   A 125 ? 0.528362 0.516343 0.707778 0.0622816   -0.158709   -0.141263   137 PHE   A CE2  
1868 C CZ   . PHE   A 125 ? 0.476501 0.492416 0.669195 0.0686887   -0.164487   -0.145103   137 PHE   A CZ   
1869 H H    . PHE   A 125 ? 0.446701 0.429454 0.752908 -0.0120681  -0.14642    -0.102552   137 PHE   A H    
1870 H HA   . PHE   A 125 ? 0.395954 0.410709 0.677305 -0.0276766  -0.0892716  -0.0548562  137 PHE   A HA   
1871 H HB2  . PHE   A 125 ? 0.377947 0.409763 0.610362 0.00838332  -0.0849503  -0.0752961  137 PHE   A HB2  
1872 H HB3  . PHE   A 125 ? 0.391551 0.384496 0.597003 0.0124495   -0.0941578  -0.0774285  137 PHE   A HB3  
1873 H HD1  . PHE   A 125 ? 0.391568 0.451816 0.651989 0.0282321   -0.115315   -0.104476   137 PHE   A HD1  
1874 H HD2  . PHE   A 125 ? 0.467672 0.432448 0.653817 0.0395429   -0.135589   -0.116518   137 PHE   A HD2  
1875 H HE1  . PHE   A 125 ? 0.433368 0.494131 0.672831 0.0610511   -0.153589   -0.134777   137 PHE   A HE1  
1876 H HE2  . PHE   A 125 ? 0.5188   0.492369 0.676697 0.0728164   -0.168475   -0.152609   137 PHE   A HE2  
1877 H HZ   . PHE   A 125 ? 0.495956 0.516307 0.676936 0.0823818   -0.17979    -0.157893   137 PHE   A HZ   
1878 N N    . LYS   A 126 ? 0.402534 0.489578 0.751762 -0.0394929  -0.0829923  -0.0568966  138 LYS   A N    
1879 C CA   . LYS   A 126 ? 0.428222 0.559714 0.833089 -0.0538038  -0.08023    -0.0537801  138 LYS   A CA   
1880 C C    . LYS   A 126 ? 0.434349 0.601548 0.824973 -0.0440724  -0.0544194  -0.0503836  138 LYS   A C    
1881 O O    . LYS   A 126 ? 0.336789 0.494495 0.685451 -0.0386406  -0.0358088  -0.0421268  138 LYS   A O    
1882 C CB   . LYS   A 126 ? 0.39971  0.53785  0.853162 -0.0855091  -0.0784854  -0.0322688  138 LYS   A CB   
1883 H H    . LYS   A 126 ? 0.393876 0.47875  0.716191 -0.0371261  -0.0672044  -0.0477341  138 LYS   A H    
1884 H HA   . LYS   A 126 ? 0.423377 0.5581   0.844293 -0.0469099  -0.0983551  -0.0699194  138 LYS   A HA   
1887 N N    . GLY   A 127 ? 0.418395 0.629303 0.849804 -0.0424931  -0.0542039  -0.0580785  139 GLY   A N    
1888 C CA   . GLY   A 127 ? 0.438116 0.680947 0.860451 -0.0278428  -0.0337753  -0.0617273  139 GLY   A CA   
1889 C C    . GLY   A 127 ? 0.485442 0.761624 0.912264 -0.0432764  -0.00226013 -0.0432322  139 GLY   A C    
1890 O O    . GLY   A 127 ? 0.548206 0.842019 1.00775  -0.0688729  0.00315116  -0.024599   139 GLY   A O    
1891 H H    . GLY   A 127 ? 0.434912 0.655857 0.902467 -0.0501419  -0.0678745  -0.0622691  139 GLY   A H    
1892 H HA2  . GLY   A 127 ? 0.437014 0.656218 0.820307 -0.0113478  -0.0343956  -0.0680951  139 GLY   A HA2  
1893 H HA3  . GLY   A 127 ? 0.43974  0.707653 0.892448 -0.0225769  -0.0409038  -0.0712046  139 GLY   A HA3  
1894 N N    . GLU   A 128 ? 0.599803 0.882399 0.991817 -0.0275365  0.0170388   -0.0482138  140 GLU   A N    
1895 C CA   . GLU   A 128 ? 0.625415 0.953877 1.02257  -0.0347318  0.0470023   -0.0398515  140 GLU   A CA   
1896 C C    . GLU   A 128 ? 0.567863 0.954672 1.03203  -0.0507877  0.0517758   -0.0336986  140 GLU   A C    
1897 O O    . GLU   A 128 ? 0.57413  0.975006 1.07798  -0.0425418  0.0347448   -0.0481178  140 GLU   A O    
1898 C CB   . GLU   A 128 ? 0.596696 0.925622 0.959583 -0.0102486  0.0600308   -0.0570964  140 GLU   A CB   
1899 O OXT  . GLU   A 128 ? 0.607038 1.02372  1.08423  -0.0732036  0.0701527   -0.0117577  140 GLU   A OXT  
1900 H H    . GLU   A 128 ? 0.567533 0.825362 0.931528 -0.0116066  0.0108073   -0.0578227  140 GLU   A H    
1901 H HA   . GLU   A 128 ? 0.608601 0.927245 0.987589 -0.0476252  0.0544842   -0.0245825  140 GLU   A HA   
1904 N N    . GLY   B 1   ? 0.388064 0.569199 0.723214 -0.100412   -0.0650341  -0.141715   13  GLY   B N    
1905 C CA   . GLY   B 1   ? 0.364654 0.50095  0.680469 -0.104385   -0.0582483  -0.13603    13  GLY   B CA   
1906 C C    . GLY   B 1   ? 0.406736 0.522443 0.663643 -0.0849075  -0.0542945  -0.123878   13  GLY   B C    
1907 O O    . GLY   B 1   ? 0.356704 0.486262 0.582072 -0.0679498  -0.0612143  -0.125679   13  GLY   B O    
1908 H H1   . GLY   B 1   ? 0.383976 0.579754 0.759275 -0.113481   -0.0664945  -0.149477   13  GLY   B H1   
1909 H H2   . GLY   B 1   ? 0.365895 0.552103 0.691561 -0.0960954  -0.054349   -0.125865   13  GLY   B H2   
1910 H H3   . GLY   B 1   ? 0.380591 0.57059  0.69776  -0.0884329  -0.0787286  -0.153894   13  GLY   B H3   
1911 H HA2  . GLY   B 1   ? 0.398325 0.528629 0.723952 -0.108054   -0.0698033  -0.154627   13  GLY   B HA2  
1912 H HA3  . GLY   B 1   ? 0.384934 0.509863 0.718775 -0.116384   -0.0446283  -0.122358   13  GLY   B HA3  
1913 N N    . ALA   B 2   ? 0.387193 0.468138 0.632591 -0.0879995  -0.0431473  -0.111508   14  ALA   B N    
1914 C CA   . ALA   B 2   ? 0.36068  0.421628 0.560917 -0.0729665  -0.0398592  -0.104268   14  ALA   B CA   
1915 C C    . ALA   B 2   ? 0.333278 0.407734 0.50517  -0.0605832  -0.0344578  -0.0890789  14  ALA   B C    
1916 O O    . ALA   B 2   ? 0.34455  0.415527 0.481334 -0.04702    -0.037498   -0.0912144  14  ALA   B O    
1917 C CB   . ALA   B 2   ? 0.381586 0.408541 0.583583 -0.0781125  -0.0294505  -0.0920346  14  ALA   B CB   
1918 H H    . ALA   B 2   ? 0.395065 0.464692 0.663255 -0.0998431  -0.0374319  -0.107512   14  ALA   B H    
1919 H HA   . ALA   B 2   ? 0.373885 0.434156 0.561371 -0.0666128  -0.0492174  -0.119612   14  ALA   B HA   
1920 H HB1  . ALA   B 2   ? 0.391606 0.406447 0.605356 -0.0823312  -0.0346144  -0.104486   14  ALA   B HB1  
1921 H HB2  . ALA   B 2   ? 0.376838 0.402042 0.593201 -0.0857857  -0.0211614  -0.0786325  14  ALA   B HB2  
1922 H HB3  . ALA   B 2   ? 0.369715 0.388327 0.546617 -0.0686706  -0.0261992  -0.085589   14  ALA   B HB3  
1923 N N    . PRO   B 3   ? 0.316184 0.400777 0.497398 -0.0637753  -0.0237017  -0.07152    15  PRO   B N    
1924 C CA   . PRO   B 3   ? 0.329501 0.422283 0.481042 -0.0498946  -0.0201571  -0.0602267  15  PRO   B CA   
1925 C C    . PRO   B 3   ? 0.326807 0.440881 0.46409  -0.0368732  -0.0329541  -0.072302   15  PRO   B C    
1926 O O    . PRO   B 3   ? 0.340921 0.445988 0.441447 -0.023379   -0.0338847  -0.0684375  15  PRO   B O    
1927 C CB   . PRO   B 3   ? 0.346091 0.449231 0.515887 -0.0562865  -0.00687241 -0.0441866  15  PRO   B CB   
1928 C CG   . PRO   B 3   ? 0.368154 0.451388 0.561491 -0.072219   0.00094627  -0.0384472  15  PRO   B CG   
1929 C CD   . PRO   B 3   ? 0.363584 0.444804 0.576897 -0.0793272  -0.011699   -0.0594637  15  PRO   B CD   
1930 H HA   . PRO   B 3   ? 0.325004 0.400008 0.454384 -0.0449667  -0.0168451  -0.0541133  15  PRO   B HA   
1931 H HB2  . PRO   B 3   ? 0.342191 0.469296 0.529965 -0.0571896  -0.00894281 -0.0490493  15  PRO   B HB2  
1932 H HB3  . PRO   B 3   ? 0.338509 0.435298 0.486748 -0.0488796  -0.00133437 -0.033388   15  PRO   B HB3  
1933 H HG2  . PRO   B 3   ? 0.366221 0.459184 0.579164 -0.0798595  0.00962618  -0.0310743  15  PRO   B HG2  
1934 H HG3  . PRO   B 3   ? 0.363186 0.424942 0.538336 -0.069112   0.00490243  -0.0294748  15  PRO   B HG3  
1935 H HD2  . PRO   B 3   ? 0.360544 0.460298 0.602572 -0.0874424  -0.0141604  -0.0670107  15  PRO   B HD2  
1936 H HD3  . PRO   B 3   ? 0.365739 0.424548 0.582179 -0.0845883  -0.00965512 -0.0579444  15  PRO   B HD3  
1937 N N    . ALA   B 4   ? 0.310387 0.452053 0.47759  -0.0405279  -0.0435206  -0.0869301  16  ALA   B N    
1938 C CA   . ALA   B 4   ? 0.31938  0.481683 0.472994 -0.0254791  -0.0597948  -0.0999833  16  ALA   B CA   
1939 C C    . ALA   B 4   ? 0.328105 0.470435 0.443621 -0.0160106  -0.0691717  -0.110638   16  ALA   B C    
1940 O O    . ALA   B 4   ? 0.333842 0.47482  0.412314 0.00096925  -0.0753376  -0.110112   16  ALA   B O    
1941 C CB   . ALA   B 4   ? 0.339263 0.537832 0.539235 -0.032077   -0.0717406  -0.116799   16  ALA   B CB   
1942 H H    . ALA   B 4   ? 0.317029 0.464784 0.514825 -0.0525159  -0.0410692  -0.0889379  16  ALA   B H    
1943 H HA   . ALA   B 4   ? 0.31562  0.48045  0.452213 -0.0155492  -0.0562393  -0.0901839  16  ALA   B HA   
1944 H HB1  . ALA   B 4   ? 0.32539  0.53814  0.549326 -0.0378957  -0.0627619  -0.10892    16  ALA   B HB1  
1945 H HB2  . ALA   B 4   ? 0.341782 0.536211 0.5602   -0.042736   -0.0757693  -0.127493   16  ALA   B HB2  
1946 H HB3  . ALA   B 4   ? 0.342472 0.554992 0.531298 -0.0195479  -0.0846582  -0.125643   16  ALA   B HB3  
1947 N N    . THR   B 5   ? 0.32792  0.452399 0.449944 -0.0257477  -0.0686329  -0.119444   17  THR   B N    
1948 C CA   . THR   B 5   ? 0.335354 0.443302 0.421612 -0.0161149  -0.0744846  -0.130904   17  THR   B CA   
1949 C C    . THR   B 5   ? 0.330694 0.417919 0.37562  -0.00653534 -0.0606566  -0.112509   17  THR   B C    
1950 O O    . THR   B 5   ? 0.351546 0.431589 0.356861 0.00668364  -0.062602   -0.114373   17  THR   B O    
1951 C CB   . THR   B 5   ? 0.400764 0.4929   0.505933 -0.0274528  -0.0751586  -0.144914   17  THR   B CB   
1952 O OG1  . THR   B 5   ? 0.376401 0.488677 0.522819 -0.0374682  -0.0895759  -0.163551   17  THR   B OG1  
1953 C CG2  . THR   B 5   ? 0.419856 0.495797 0.487259 -0.0162311  -0.0778111  -0.157964   17  THR   B CG2  
1954 H H    . THR   B 5   ? 0.322967 0.444717 0.471533 -0.0379801  -0.06374    -0.118191   17  THR   B H    
1955 H HA   . THR   B 5   ? 0.361307 0.482155 0.437682 -0.00736129 -0.087153   -0.142015   17  THR   B HA   
1956 H HB   . THR   B 5   ? 0.371014 0.450461 0.488012 -0.0354007  -0.064053   -0.133545   17  THR   B HB   
1958 H HG21 . THR   B 5   ? 0.43075  0.499568 0.51383  -0.0222907  -0.0812898  -0.170911   17  THR   B HG21 
1959 H HG22 . THR   B 5   ? 0.435825 0.521633 0.48258  -0.00586205 -0.087563   -0.165903   17  THR   B HG22 
1960 H HG23 . THR   B 5   ? 0.414713 0.477419 0.462793 -0.0127511  -0.0660202  -0.145848   17  THR   B HG23 
1961 N N    . VAL   B 6   ? 0.314866 0.391344 0.369037 -0.0136348  -0.0463587  -0.0948017  18  VAL   B N    
1962 C CA   . VAL   B 6   ? 0.301726 0.360147 0.324881 -0.00703303 -0.0347166  -0.0801508  18  VAL   B CA   
1963 C C    . VAL   B 6   ? 0.315574 0.380341 0.31446  0.00540792  -0.0369808  -0.0718244  18  VAL   B C    
1964 O O    . VAL   B 6   ? 0.304385 0.354631 0.2685   0.0143602   -0.032776   -0.0667375  18  VAL   B O    
1965 C CB   . VAL   B 6   ? 0.305118 0.351972 0.342892 -0.0152839  -0.0231054  -0.065731   18  VAL   B CB   
1966 C CG1  . VAL   B 6   ? 0.319169 0.352239 0.329813 -0.0087612  -0.0145074  -0.0543046  18  VAL   B CG1  
1967 C CG2  . VAL   B 6   ? 0.333097 0.367463 0.391305 -0.0242976  -0.0210889  -0.0717697  18  VAL   B CG2  
1968 H H    . VAL   B 6   ? 0.30332  0.383256 0.383274 -0.0227754  -0.0438892  -0.0920309  18  VAL   B H    
1969 H HA   . VAL   B 6   ? 0.320411 0.369368 0.327355 -0.00388839 -0.0334541  -0.0856564  18  VAL   B HA   
1970 H HB   . VAL   B 6   ? 0.300648 0.356885 0.352351 -0.0180811  -0.0229586  -0.0602375  18  VAL   B HB   
1971 H HG11 . VAL   B 6   ? 0.324927 0.352864 0.318321 -0.00445714 -0.0137976  -0.0589962  18  VAL   B HG11 
1972 H HG12 . VAL   B 6   ? 0.311627 0.348782 0.314666 -0.0044318  -0.0148352  -0.0478401  18  VAL   B HG12 
1973 H HG13 . VAL   B 6   ? 0.306684 0.331561 0.325336 -0.0129365  -0.00933563 -0.0491955  18  VAL   B HG13 
1974 H HG21 . VAL   B 6   ? 0.317101 0.343985 0.382013 -0.0274569  -0.0154097  -0.061785   18  VAL   B HG21 
1975 H HG22 . VAL   B 6   ? 0.32951  0.370129 0.406544 -0.0297892  -0.0265701  -0.0796962  18  VAL   B HG22 
1976 H HG23 . VAL   B 6   ? 0.333052 0.360116 0.378666 -0.0206046  -0.020118   -0.078047   18  VAL   B HG23 
1977 N N    . THR   B 7   ? 0.290787 0.375818 0.308325 0.00651006  -0.0420388  -0.0698278  19  THR   B N    
1978 C CA   . THR   B 7   ? 0.33971  0.431407 0.336343 0.0217628   -0.0470912  -0.0648621  19  THR   B CA   
1979 C C    . THR   B 7   ? 0.37229  0.460394 0.334128 0.0361205   -0.0585536  -0.0736018  19  THR   B C    
1980 O O    . THR   B 7   ? 0.380119 0.449176 0.302727 0.0482846   -0.0552676  -0.0636495  19  THR   B O    
1981 C CB   . THR   B 7   ? 0.30044  0.423108 0.329548 0.0225767   -0.052768   -0.0673105  19  THR   B CB   
1982 O OG1  . THR   B 7   ? 0.305453 0.424388 0.352774 0.011811    -0.0383682  -0.0553627  19  THR   B OG1  
1983 C CG2  . THR   B 7   ? 0.337463 0.466239 0.34453  0.042491    -0.0602246  -0.0641722  19  THR   B CG2  
1984 H H    . THR   B 7   ? 0.294196 0.388825 0.339018 -0.00204388 -0.0415906  -0.0713916  19  THR   B H    
1985 H HA   . THR   B 7   ? 0.323343 0.400409 0.30504  0.0238666   -0.0388788  -0.0537963  19  THR   B HA   
1986 H HB   . THR   B 7   ? 0.31601  0.455185 0.367605 0.017618    -0.0605797  -0.0790443  19  THR   B HB   
1988 H HG21 . THR   B 7   ? 0.321355 0.46777  0.349334 0.043048    -0.059026   -0.0628146  19  THR   B HG21 
1989 H HG22 . THR   B 7   ? 0.336006 0.442773 0.315838 0.0475245   -0.0541831  -0.0546191  19  THR   B HG22 
1990 H HG23 . THR   B 7   ? 0.345825 0.482303 0.345156 0.0503862   -0.0723547  -0.0734304  19  THR   B HG23 
1991 N N    . GLU   B 8   ? 0.347023 0.447548 0.318348 0.0345296   -0.0706216  -0.0915557  20  GLU   B N    
1992 C CA   . GLU   B 8   ? 0.412164 0.513992 0.348101 0.051581    -0.0854924  -0.102008   20  GLU   B CA   
1993 C C    . GLU   B 8   ? 0.44551  0.518964 0.33805  0.0548906   -0.0756122  -0.100221   20  GLU   B C    
1994 O O    . GLU   B 8   ? 0.476188 0.538243 0.321689 0.071563    -0.0792108  -0.0976505  20  GLU   B O    
1995 C CB   . GLU   B 8   ? 0.477219 0.607937 0.443382 0.0496238   -0.106201   -0.12662    20  GLU   B CB   
1996 C CG   . GLU   B 8   ? 0.51241  0.678495 0.52966  0.0450091   -0.114387   -0.130409   20  GLU   B CG   
1997 C CD   . GLU   B 8   ? 0.550078 0.746609 0.61711  0.0338535   -0.131288   -0.155883   20  GLU   B CD   
1998 O OE1  . GLU   B 8   ? 0.620268 0.806686 0.677802 0.0311501   -0.139164   -0.172748   20  GLU   B OE1  
1999 O OE2  . GLU   B 8   ? 0.485088 0.715996 0.604385 0.0264611   -0.135656   -0.160707   20  GLU   B OE2  
2000 H H    . GLU   B 8   ? 0.351718 0.458741 0.350484 0.023334    -0.0704511  -0.0980105  20  GLU   B H    
2001 H HA   . GLU   B 8   ? 0.425585 0.528168 0.345483 0.0634563   -0.088847   -0.0948245  20  GLU   B HA   
2002 H HB2  . GLU   B 8   ? 0.469954 0.596254 0.451062 0.0382093   -0.103029   -0.134077   20  GLU   B HB2  
2003 H HB3  . GLU   B 8   ? 0.501437 0.632574 0.439632 0.0630958   -0.117882   -0.134342   20  GLU   B HB3  
2004 H HG2  . GLU   B 8   ? 0.5162   0.689894 0.518968 0.0595126   -0.121703   -0.127588   20  GLU   B HG2  
2005 H HG3  . GLU   B 8   ? 0.482648 0.645391 0.517359 0.0352203   -0.100774   -0.118734   20  GLU   B HG3  
2006 N N    . GLN   B 9   ? 0.399997 0.461833 0.306758 0.0406872   -0.0620602  -0.100495   21  GLN   B N    
2007 C CA   . GLN   B 9   ? 0.407628 0.452206 0.284894 0.0431222   -0.0535862  -0.105865   21  GLN   B CA   
2008 C C    . GLN   B 9   ? 0.364769 0.389781 0.240144 0.0350482   -0.0309278  -0.0910282  21  GLN   B C    
2009 O O    . GLN   B 9   ? 0.417466 0.429711 0.265617 0.0387304   -0.019443   -0.0926114  21  GLN   B O    
2010 C CB   . GLN   B 9   ? 0.435165 0.485912 0.33121  0.0372629   -0.061253   -0.129068   21  GLN   B CB   
2011 C CG   . GLN   B 9   ? 0.470192 0.542595 0.375577 0.0427757   -0.0862898  -0.150412   21  GLN   B CG   
2012 C CD   . GLN   B 9   ? 0.476444 0.551133 0.405717 0.0347677   -0.0947692  -0.175489   21  GLN   B CD   
2013 O OE1  . GLN   B 9   ? 0.479594 0.5379   0.411894 0.028633    -0.0820914  -0.177937   21  GLN   B OE1  
2014 N NE2  . GLN   B 9   ? 0.505017 0.600549 0.451362 0.0366394   -0.118121   -0.19655    21  GLN   B NE2  
2015 H H    . GLN   B 9   ? 0.379576 0.445227 0.315834 0.0300429   -0.0578978  -0.0976609  21  GLN   B H    
2016 H HA   . GLN   B 9   ? 0.43687  0.476518 0.278133 0.0558459   -0.0568221  -0.105266   21  GLN   B HA   
2017 H HB2  . GLN   B 9   ? 0.411052 0.461771 0.339291 0.0252529   -0.0565921  -0.128074   21  GLN   B HB2  
2018 H HB3  . GLN   B 9   ? 0.452925 0.492589 0.32415  0.0418525   -0.0542222  -0.132278   21  GLN   B HB3  
2019 H HG2  . GLN   B 9   ? 0.492557 0.564082 0.362086 0.0569806   -0.0926847  -0.15216    21  GLN   B HG2  
2020 H HG3  . GLN   B 9   ? 0.447179 0.533549 0.379196 0.0384031   -0.0917482  -0.146991   21  GLN   B HG3  
2021 H HE21 . GLN   B 9   ? 0.508508 0.605028 0.470903 0.0315779   -0.125246   -0.213376   21  GLN   B HE21 
2022 H HE22 . GLN   B 9   ? 0.502685 0.61167  0.446287 0.0431448   -0.127449   -0.194936   21  GLN   B HE22 
2023 N N    . GLY   B 10  ? 0.360464 0.385284 0.262001 0.0260652   -0.0250581  -0.077946   22  GLY   B N    
2024 C CA   . GLY   B 10  ? 0.351199 0.362443 0.261005 0.0175494   -0.00825953 -0.0674311  22  GLY   B CA   
2025 C C    . GLY   B 10  ? 0.351746 0.345471 0.228324 0.0228232   0.00468086  -0.0531764  22  GLY   B C    
2026 O O    . GLY   B 10  ? 0.347877 0.335827 0.198659 0.0324752   0.00074274  -0.0450702  22  GLY   B O    
2027 H H    . GLY   B 10  ? 0.345196 0.379866 0.260049 0.0259473   -0.0320546  -0.0762221  22  GLY   B H    
2028 H HA2  . GLY   B 10  ? 0.347123 0.357112 0.264007 0.0142419   -0.00477631 -0.0754377  22  GLY   B HA2  
2029 H HA3  . GLY   B 10  ? 0.324557 0.339199 0.256868 0.0115095   -0.0088625  -0.0623142  22  GLY   B HA3  
2030 N N    . GLU   B 11  ? 0.346706 0.332047 0.228253 0.0161826   0.0201473   -0.0509259  23  GLU   B N    
2031 C CA   . GLU   B 11  ? 0.366932 0.335425 0.228557 0.0155253   0.0366244   -0.0375873  23  GLU   B CA   
2032 C C    . GLU   B 11  ? 0.333549 0.296622 0.21495  0.00876569  0.0370779   -0.0266382  23  GLU   B C    
2033 O O    . GLU   B 11  ? 0.309755 0.28196  0.223578 0.0020091   0.0324219   -0.0297576  23  GLU   B O    
2034 C CB   . GLU   B 11  ? 0.405135 0.374721 0.273449 0.0105805   0.053032    -0.0439225  23  GLU   B CB   
2035 C CG   . GLU   B 11  ? 0.478679 0.435351 0.342987 0.00424992  0.0728841   -0.0310738  23  GLU   B CG   
2036 C CD   . GLU   B 11  ? 0.622052 0.586203 0.502563 -0.00149572 0.0917238   -0.037528   23  GLU   B CD   
2037 O OE1  . GLU   B 11  ? 0.613631 0.591187 0.508737 0.00084003  0.0889457   -0.0526074  23  GLU   B OE1  
2038 O OE2  . GLU   B 11  ? 0.625984 0.581702 0.506248 -0.00842275 0.109923    -0.0274657  23  GLU   B OE2  
2039 H H    . GLU   B 11  ? 0.33889  0.329383 0.239721 0.011487    0.0207685   -0.0583127  23  GLU   B H    
2040 H HA   . GLU   B 11  ? 0.394087 0.354401 0.22483  0.0237166   0.0364679   -0.0331892  23  GLU   B HA   
2041 H HB2  . GLU   B 11  ? 0.431707 0.402077 0.27932  0.017072    0.0537064   -0.0506581  23  GLU   B HB2  
2042 H HB3  . GLU   B 11  ? 0.38899  0.367338 0.286202 0.0055101   0.0497987   -0.0505756  23  GLU   B HB3  
2043 H HG2  . GLU   B 11  ? 0.469911 0.425135 0.352917 -0.00122865 0.0696794   -0.0260841  23  GLU   B HG2  
2044 H HG3  . GLU   B 11  ? 0.515727 0.459739 0.348589 0.00952862  0.0773024   -0.023053   23  GLU   B HG3  
2045 N N    . ASP   B 12  ? 0.344422 0.28967  0.202809 0.0121824   0.0416259   -0.0140385  24  ASP   B N    
2046 C CA   . ASP   B 12  ? 0.326094 0.261975 0.198312 0.00710005  0.0418848   -0.00605804 24  ASP   B CA   
2047 C C    . ASP   B 12  ? 0.353522 0.283842 0.244626 -0.00542587 0.057182    -0.00478446 24  ASP   B C    
2048 O O    . ASP   B 12  ? 0.377653 0.29247  0.251116 -0.00795375 0.0730667   0.00227845  24  ASP   B O    
2049 C CB   . ASP   B 12  ? 0.373452 0.288322 0.213933 0.0168911   0.0400168   0.00512605  24  ASP   B CB   
2050 C CG   . ASP   B 12  ? 0.379589 0.281714 0.231715 0.0136384   0.0384498   0.0104476   24  ASP   B CG   
2051 O OD1  . ASP   B 12  ? 0.332978 0.24419  0.217423 0.00312     0.0384446   0.00525995  24  ASP   B OD1  
2052 O OD2  . ASP   B 12  ? 0.389543 0.27354  0.219062 0.0234532   0.0347684   0.0178699   24  ASP   B OD2  
2053 H H    . ASP   B 12  ? 0.370891 0.307407 0.20158  0.0188752   0.0442237   -0.0106435  24  ASP   B H    
2054 H HA   . ASP   B 12  ? 0.31397  0.261017 0.205143 0.00609021  0.0329975   -0.00979018 24  ASP   B HA   
2055 H HB2  . ASP   B 12  ? 0.372448 0.295114 0.204087 0.0260006   0.0294523   0.00270404  24  ASP   B HB2  
2056 H HB3  . ASP   B 12  ? 0.398681 0.299096 0.217479 0.0178835   0.0499799   0.0109336   24  ASP   B HB3  
2057 N N    . ILE   B 13  ? 0.349121 0.29242  0.276442 -0.0127997  0.0527485   -0.0111673  25  ILE   B N    
2058 C CA   . ILE   B 13  ? 0.316328 0.262474 0.270803 -0.023553   0.0636161   -0.0139765  25  ILE   B CA   
2059 C C    . ILE   B 13  ? 0.360172 0.296176 0.328774 -0.0294411  0.0600401   -0.0107855  25  ILE   B C    
2060 O O    . ILE   B 13  ? 0.354934 0.298038 0.355035 -0.0385902  0.0636886   -0.0161536  25  ILE   B O    
2061 C CB   . ILE   B 13  ? 0.317819 0.284619 0.302874 -0.0250224  0.059686    -0.0253078  25  ILE   B CB   
2062 C CG1  . ILE   B 13  ? 0.288345 0.261141 0.286681 -0.0218993  0.0417403   -0.0268269  25  ILE   B CG1  
2063 C CG2  . ILE   B 13  ? 0.354192 0.328344 0.327161 -0.0198177  0.0644409   -0.0323389  25  ILE   B CG2  
2064 C CD1  . ILE   B 13  ? 0.337322 0.323185 0.365718 -0.0226461  0.0376343   -0.0353101  25  ILE   B CD1  
2065 H H    . ILE   B 13  ? 0.319558 0.270693 0.255215 -0.0105239  0.0425573   -0.0137442  25  ILE   B H    
2066 H HA   . ILE   B 13  ? 0.353869 0.294194 0.297577 -0.0255358  0.0765955   -0.0112385  25  ILE   B HA   
2067 H HB   . ILE   B 13  ? 0.315925 0.286913 0.321315 -0.0309307  0.0659816   -0.0278297  25  ILE   B HB   
2068 H HG12 . ILE   B 13  ? 0.302786 0.275486 0.287291 -0.0172226  0.0365274   -0.0256147  25  ILE   B HG12 
2069 H HG13 . ILE   B 13  ? 0.301489 0.268752 0.301684 -0.0232207  0.0382063   -0.0234275  25  ILE   B HG13 
2070 H HG21 . ILE   B 13  ? 0.336723 0.320965 0.330962 -0.0209979  0.0645269   -0.039801   25  ILE   B HG21 
2071 H HG22 . ILE   B 13  ? 0.344236 0.318228 0.304844 -0.014646   0.0552513   -0.0327604  25  ILE   B HG22 
2072 H HG23 . ILE   B 13  ? 0.36673  0.335205 0.323006 -0.0198833  0.0763566   -0.0295902  25  ILE   B HG23 
2073 H HD11 . ILE   B 13  ? 0.317821 0.307771 0.362145 -0.0263727  0.0435784   -0.0384611  25  ILE   B HD11 
2074 H HD12 . ILE   B 13  ? 0.306733 0.292886 0.341236 -0.0210388  0.0280071   -0.0337389  25  ILE   B HD12 
2075 H HD13 . ILE   B 13  ? 0.318078 0.307455 0.343895 -0.0202348  0.0384764   -0.0395663  25  ILE   B HD13 
2076 N N    . THR   B 14  ? 0.341111 0.261252 0.288637 -0.0236381  0.0527863   -0.00424337 26  THR   B N    
2077 C CA   . THR   B 14  ? 0.333729 0.239134 0.289305 -0.0276518  0.0487959   -0.00341821 26  THR   B CA   
2078 C C    . THR   B 14  ? 0.418267 0.300315 0.369036 -0.0369226  0.064888    0.00330159  26  THR   B C    
2079 O O    . THR   B 14  ? 0.438758 0.307246 0.360638 -0.0338039  0.0768234   0.0128796   26  THR   B O    
2080 C CB   . THR   B 14  ? 0.364552 0.260185 0.299822 -0.0160728  0.0359805   -0.00058156 26  THR   B CB   
2081 O OG1  . THR   B 14  ? 0.346996 0.228195 0.248823 -0.00655495 0.0391119   0.00815011  26  THR   B OG1  
2082 C CG2  . THR   B 14  ? 0.364051 0.282708 0.306363 -0.00940185 0.0243229   -0.00510375 26  THR   B CG2  
2083 H H    . THR   B 14  ? 0.348798 0.267418 0.276921 -0.0160848  0.0493052   -0.00152688 26  THR   B H    
2084 H HA   . THR   B 14  ? 0.336251 0.252755 0.315737 -0.0319249  0.0441451   -0.0100592  26  THR   B HA   
2085 H HB   . THR   B 14  ? 0.36233  0.247038 0.302644 -0.0182894  0.0330126   -0.00218604 26  THR   B HB   
2087 H HG21 . THR   B 14  ? 0.357358 0.273003 0.289732 -0.00231127 0.0181393   -0.00386634 26  THR   B HG21 
2088 H HG22 . THR   B 14  ? 0.351354 0.278783 0.289403 -0.0075221  0.0261649   -0.00466562 26  THR   B HG22 
2089 H HG23 . THR   B 14  ? 0.34341  0.270592 0.304612 -0.0137388  0.0213962   -0.00988084 26  THR   B HG23 
2090 N N    . SER   B 15  ? 0.364313 0.239696 0.341299 -0.0476143  0.0641786   -0.00161249 27  SER   B N    
2091 C CA   . SER   B 15  ? 0.423487 0.272682 0.402126 -0.0597019  0.0797068   0.00481021  27  SER   B CA   
2092 C C    . SER   B 15  ? 0.454959 0.268049 0.392775 -0.0499503  0.0783952   0.0165443   27  SER   B C    
2093 O O    . SER   B 15  ? 0.495223 0.280905 0.413192 -0.0537773  0.094713    0.0292099   27  SER   B O    
2094 C CB   . SER   B 15  ? 0.467538 0.317747 0.488396 -0.0736629  0.0746011   -0.00687825 27  SER   B CB   
2095 O OG   . SER   B 15  ? 0.506462 0.390766 0.56744  -0.081274   0.076753    -0.0173589  27  SER   B OG   
2096 H H    . SER   B 15  ? 0.36545  0.252132 0.359953 -0.0475539  0.0534729   -0.00937854 27  SER   B H    
2097 H HA   . SER   B 15  ? 0.435209 0.287799 0.41382  -0.0648052  0.0949731   0.00904497  27  SER   B HA   
2098 H HB2  . SER   B 15  ? 0.462145 0.310681 0.480857 -0.0672289  0.0589021   -0.0125494  27  SER   B HB2  
2099 H HB3  . SER   B 15  ? 0.496615 0.326007 0.519069 -0.0828301  0.0852253   -0.00214463 27  SER   B HB3  
2101 N N    . LYS   B 16  ? 0.42214  0.233624 0.34908  -0.036957   0.0594579   0.0121757   28  LYS   B N    
2102 C CA   . LYS   B 16  ? 0.496064 0.275754 0.387977 -0.024183   0.0557936   0.0207771   28  LYS   B CA   
2103 C C    . LYS   B 16  ? 0.484176 0.264411 0.338438 -0.00855526 0.0574086   0.0315119   28  LYS   B C    
2104 O O    . LYS   B 16  ? 0.493494 0.24592  0.316597 0.00404003  0.0553574   0.0403951   28  LYS   B O    
2105 C CB   . LYS   B 16  ? 0.560748 0.344876 0.453996 -0.012745   0.0363865   0.0106671   28  LYS   B CB   
2106 C CG   . LYS   B 16  ? 0.722169 0.490829 0.637089 -0.021626   0.0299982   -0.00046607 28  LYS   B CG   
2107 C CD   . LYS   B 16  ? 0.862326 0.629052 0.761323 -0.0036432  0.013539    -0.00766589 28  LYS   B CD   
2108 C CE   . LYS   B 16  ? 1.05487  0.794702 0.958586 -0.0044676  0.00461008  -0.0190619  28  LYS   B CE   
2109 N NZ   . LYS   B 16  ? 1.0672   0.831522 1.00163  -0.014156   -0.00445839 -0.0338396  28  LYS   B NZ   
2110 H H    . LYS   B 16  ? 0.413315 0.243644 0.354483 -0.0350843  0.0491903   0.0038517   28  LYS   B H    
2111 H HA   . LYS   B 16  ? 0.524051 0.277453 0.414934 -0.0316443  0.0642069   0.0255608   28  LYS   B HA   
2112 H HB2  . LYS   B 16  ? 0.53953  0.350403 0.441532 -0.00991613 0.0302365   0.00552909  28  LYS   B HB2  
2113 H HB3  . LYS   B 16  ? 0.584735 0.356107 0.454209 -0.00028088 0.0331995   0.015748    28  LYS   B HB3  
2114 H HG2  . LYS   B 16  ? 0.738165 0.479576 0.650733 -0.0283869  0.0378791   0.0042295   28  LYS   B HG2  
2115 H HG3  . LYS   B 16  ? 0.691239 0.478944 0.6316   -0.0306199  0.0282827   -0.00820164 28  LYS   B HG3  
2116 H HD2  . LYS   B 16  ? 0.834867 0.628086 0.740879 -0.0003218  0.00729888  -0.0126271  28  LYS   B HD2  
2117 H HD3  . LYS   B 16  ? 0.864958 0.623979 0.741214 0.00781903  0.0146139   -0.0001213  28  LYS   B HD3  
2118 H HE2  . LYS   B 16  ? 1.0274   0.76231  0.913965 0.00991612  -0.00277004 -0.0215214  28  LYS   B HE2  
2119 H HE3  . LYS   B 16  ? 1.04798  0.760775 0.953045 -0.0127348  0.011709    -0.0152491  28  LYS   B HE3  
2120 H HZ1  . LYS   B 16  ? 1.03173  0.816957 0.961671 -0.00581138 -0.0105745  -0.036002   28  LYS   B HZ1  
2121 H HZ2  . LYS   B 16  ? 1.04084  0.813755 0.993756 -0.0262205  0.0023457   -0.0322164  28  LYS   B HZ2  
2122 H HZ3  . LYS   B 16  ? 1.07076  0.82051  1.01058  -0.0158277  -0.0113479  -0.0432133  28  LYS   B HZ3  
2123 N N    . LYS   B 17  ? 0.482669 0.291862 0.338894 -0.00784675 0.0595069   0.029616    29  LYS   B N    
2124 C CA   . LYS   B 17  ? 0.472547 0.287431 0.296311 0.00786312  0.0560036   0.0348652   29  LYS   B CA   
2125 C C    . LYS   B 17  ? 0.483216 0.301687 0.296121 0.0256081   0.0381268   0.0325639   29  LYS   B C    
2126 O O    . LYS   B 17  ? 0.489685 0.293523 0.270895 0.0416567   0.0337358   0.0398571   29  LYS   B O    
2127 C CB   . LYS   B 17  ? 0.541324 0.326352 0.327287 0.0107383   0.0710109   0.0498188   29  LYS   B CB   
2128 C CG   . LYS   B 17  ? 0.592806 0.38435  0.390524 -0.00530312 0.0918717   0.0507627   29  LYS   B CG   
2129 C CD   . LYS   B 17  ? 0.648532 0.473758 0.448129 -0.00176065 0.0900435   0.0415552   29  LYS   B CD   
2130 C CE   . LYS   B 17  ? 0.739931 0.570854 0.540768 -0.01165    0.112581    0.0424093   29  LYS   B CE   
2131 N NZ   . LYS   B 17  ? 0.711442 0.571759 0.564906 -0.0248366  0.111674    0.0280624   29  LYS   B NZ   
2132 H H    . LYS   B 17  ? 0.453447 0.279873 0.332766 -0.0166738  0.0618642   0.0234926   29  LYS   B H    
2133 H HA   . LYS   B 17  ? 0.461482 0.30019  0.296224 0.00577545  0.0552412   0.0289741   29  LYS   B HA   
2134 H HB2  . LYS   B 17  ? 0.572528 0.329443 0.348948 0.0108555   0.073863    0.0569181   29  LYS   B HB2  
2135 H HB3  . LYS   B 17  ? 0.555692 0.344555 0.318015 0.0237991   0.0648921   0.0517992   29  LYS   B HB3  
2136 H HG2  . LYS   B 17  ? 0.581213 0.377547 0.410109 -0.017945   0.0948481   0.0454811   29  LYS   B HG2  
2137 H HG3  . LYS   B 17  ? 0.635224 0.402356 0.408964 -0.0055477  0.104741    0.0624172   29  LYS   B HG3  
2138 H HD2  . LYS   B 17  ? 0.654304 0.478619 0.427282 0.0115769   0.0820457   0.0434484   29  LYS   B HD2  
2139 H HD3  . LYS   B 17  ? 0.60909  0.455555 0.435755 -0.00424467 0.0800567   0.0313657   29  LYS   B HD3  
2140 H HE2  . LYS   B 17  ? 0.75549  0.564715 0.546603 -0.0175843  0.127684    0.0527329   29  LYS   B HE2  
2141 H HE3  . LYS   B 17  ? 0.733968 0.571776 0.512724 -0.00278441 0.111834    0.0410333   29  LYS   B HE3  
2142 H HZ1  . LYS   B 17  ? 0.696528 0.552242 0.569527 -0.0313586  0.108775    0.0275039   29  LYS   B HZ1  
2143 H HZ2  . LYS   B 17  ? 0.6817   0.559346 0.541637 -0.0195524  0.0997396   0.0199949   29  LYS   B HZ2  
2144 H HZ3  . LYS   B 17  ? 0.713805 0.579401 0.573932 -0.0311306  0.125878    0.02745     29  LYS   B HZ3  
2145 N N    . ASP   B 18  ? 0.429055 0.270305 0.268409 0.0241261   0.028211    0.0222111   30  ASP   B N    
2146 C CA   . ASP   B 18  ? 0.429004 0.280779 0.264635 0.0395054   0.014912    0.0186699   30  ASP   B CA   
2147 C C    . ASP   B 18  ? 0.407469 0.297962 0.25755  0.0420842   0.00820335  0.0123163   30  ASP   B C    
2148 O O    . ASP   B 18  ? 0.347286 0.25495  0.205057 0.0506373   0.00038533  0.0082083   30  ASP   B O    
2149 C CB   . ASP   B 18  ? 0.420463 0.265756 0.268961 0.0387089   0.00996921  0.0124047   30  ASP   B CB   
2150 C CG   . ASP   B 18  ? 0.450425 0.314117 0.327509 0.0254181   0.0093942   0.00435105  30  ASP   B CG   
2151 O OD1  . ASP   B 18  ? 0.384281 0.270406 0.274851 0.018695    0.0117256   0.00330318  30  ASP   B OD1  
2152 O OD2  . ASP   B 18  ? 0.40249  0.254632 0.287123 0.02237     0.00576333  -0.00158853 30  ASP   B OD2  
2153 H H    . ASP   B 18  ? 0.417827 0.269204 0.277858 0.0140441   0.0303224   0.0173803   30  ASP   B H    
2154 H HA   . ASP   B 18  ? 0.45296  0.290029 0.267184 0.0504178   0.0131884   0.02401     30  ASP   B HA   
2155 H HB2  . ASP   B 18  ? 0.431195 0.284764 0.27567  0.0501662   0.00335233  0.0102569   30  ASP   B HB2  
2156 H HB3  . ASP   B 18  ? 0.457738 0.276245 0.298188 0.0371722   0.0130339   0.0152226   30  ASP   B HB3  
2157 N N    . ARG   B 19  ? 0.369985 0.27352  0.225517 0.0344607   0.0123698   0.0107601   31  ARG   B N    
2158 C CA   . ARG   B 19  ? 0.355242 0.290717 0.228324 0.0335177   0.00654908  0.00340013  31  ARG   B CA   
2159 C C    . ARG   B 19  ? 0.348217 0.301288 0.248988 0.0276174   0.00371896  -0.0009986  31  ARG   B C    
2160 O O    . ARG   B 19  ? 0.318162 0.294542 0.234021 0.027921    -0.00076027 -0.00494947 31  ARG   B O    
2161 C CB   . ARG   B 19  ? 0.379876 0.328586 0.24047  0.0482407   -0.003501   0.00165489  31  ARG   B CB   
2162 C CG   . ARG   B 19  ? 0.408276 0.342257 0.236711 0.0554269   -0.00236427 0.00534924  31  ARG   B CG   
2163 C CD   . ARG   B 19  ? 0.433069 0.379274 0.245038 0.0735599   -0.0164994  0.00220936  31  ARG   B CD   
2164 N NE   . ARG   B 19  ? 0.401538 0.385788 0.246527 0.0709723   -0.0264375  -0.0103426  31  ARG   B NE   
2165 C CZ   . ARG   B 19  ? 0.414201 0.414072 0.268581 0.0642404   -0.0291907  -0.0201672  31  ARG   B CZ   
2166 N NH1  . ARG   B 19  ? 0.401895 0.386288 0.232577 0.0621543   -0.0228021  -0.0197511  31  ARG   B NH1  
2167 N NH2  . ARG   B 19  ? 0.413357 0.445004 0.301698 0.0602231   -0.0381105  -0.031519   31  ARG   B NH2  
2168 H H    . ARG   B 19  ? 0.391763 0.282674 0.240228 0.0291918   0.0200496   0.0140423   31  ARG   B H    
2169 H HA   . ARG   B 19  ? 0.35861  0.295602 0.233516 0.0271441   0.0112622   0.00181499  31  ARG   B HA   
2170 H HB2  . ARG   B 19  ? 0.380915 0.32705  0.237612 0.0567746   -0.00735908 0.00343115  31  ARG   B HB2  
2171 H HB3  . ARG   B 19  ? 0.358284 0.328679 0.236295 0.0455739   -0.00750375 -0.0043792  31  ARG   B HB3  
2172 H HG2  . ARG   B 19  ? 0.406246 0.344205 0.238309 0.0477337   0.00230193  0.00228347  31  ARG   B HG2  
2173 H HG3  . ARG   B 19  ? 0.430565 0.340126 0.242436 0.0561865   0.00393559  0.0130654   31  ARG   B HG3  
2174 H HD2  . ARG   B 19  ? 0.454432 0.391525 0.24321  0.0775429   -0.015656   0.00386791  31  ARG   B HD2  
2175 H HD3  . ARG   B 19  ? 0.443686 0.380862 0.246228 0.0837796   -0.0200407  0.0065767   31  ARG   B HD3  
2176 H HE   . ARG   B 19  ? 0.395952 0.392294 0.255766 0.073619    -0.0300259  -0.0117711  31  ARG   B HE   
2177 H HH11 . ARG   B 19  ? 0.407538 0.380218 0.238777 0.0538133   -0.0122848  -0.0158432  31  ARG   B HH11 
2178 H HH12 . ARG   B 19  ? 0.429601 0.416508 0.243963 0.0696704   -0.0289503  -0.0239415  31  ARG   B HH12 
2179 H HH21 . ARG   B 19  ? 0.395701 0.439723 0.299964 0.0619181   -0.0405606  -0.0314816  31  ARG   B HH21 
2180 H HH22 . ARG   B 19  ? 0.404428 0.444213 0.299965 0.0555317   -0.0407863  -0.0392655  31  ARG   B HH22 
2181 N N    . GLY   B 20  ? 0.326669 0.267556 0.234228 0.0213676   0.00661512  -0.00045639 32  GLY   B N    
2182 C CA   . GLY   B 20  ? 0.337828 0.28888  0.261354 0.0189514   0.00336693  -0.00300115 32  GLY   B CA   
2183 C C    . GLY   B 20  ? 0.326425 0.292075 0.270822 0.00974679  0.00426351  -0.00555504 32  GLY   B C    
2184 O O    . GLY   B 20  ? 0.290972 0.26704  0.245387 0.0096231   0.00174209  -0.00502257 32  GLY   B O    
2185 H H    . GLY   B 20  ? 0.349739 0.274405 0.250685 0.0186004   0.0107336   0.00152379  32  GLY   B H    
2186 H HA2  . GLY   B 20  ? 0.331788 0.291608 0.253173 0.0258778   0.00053158  -0.00261819 32  GLY   B HA2  
2187 H HA3  . GLY   B 20  ? 0.338172 0.276905 0.260596 0.0173855   0.00320943  -0.00373586 32  GLY   B HA3  
2188 N N    . VAL   B 21  ? 0.289916 0.253035 0.238424 0.00321698  0.00907511  -0.00771687 33  VAL   B N    
2189 C CA   . VAL   B 21  ? 0.274452 0.247521 0.242273 -0.00344596 0.00998902  -0.012023   33  VAL   B CA   
2190 C C    . VAL   B 21  ? 0.285819 0.261432 0.246341 -0.00364959 0.0141843   -0.0157203  33  VAL   B C    
2191 O O    . VAL   B 21  ? 0.263442 0.228648 0.211911 -0.00472245 0.0221513   -0.0148022  33  VAL   B O    
2192 C CB   . VAL   B 21  ? 0.276252 0.245257 0.260661 -0.00959934 0.0115922   -0.0149084  33  VAL   B CB   
2193 C CG1  . VAL   B 21  ? 0.285856 0.264358 0.290316 -0.0127045  0.0111468   -0.0197964  33  VAL   B CG1  
2194 C CG2  . VAL   B 21  ? 0.300376 0.264784 0.286174 -0.00729291 0.00456067  -0.0138271  33  VAL   B CG2  
2195 H H    . VAL   B 21  ? 0.310271 0.26355  0.24772  0.0037402   0.0127618   -0.0063158  33  VAL   B H    
2196 H HA   . VAL   B 21  ? 0.26919  0.250534 0.24408  -0.00268795 0.00637862  -0.0115887  33  VAL   B HA   
2197 H HB   . VAL   B 21  ? 0.291465 0.254018 0.27269  -0.0123495  0.017562    -0.0154111  33  VAL   B HB   
2198 H HG11 . VAL   B 21  ? 0.275454 0.257984 0.281181 -0.011038   0.00732192  -0.0181794  33  VAL   B HG11 
2199 H HG12 . VAL   B 21  ? 0.283583 0.263439 0.287219 -0.0142145  0.0163813   -0.0230636  33  VAL   B HG12 
2200 H HG13 . VAL   B 21  ? 0.277762 0.256334 0.294709 -0.01417    0.00935795  -0.0217368  33  VAL   B HG13 
2201 H HG21 . VAL   B 21  ? 0.291875 0.256513 0.290934 -0.0106081  0.00334455  -0.0174081  33  VAL   B HG21 
2202 H HG22 . VAL   B 21  ? 0.301993 0.257804 0.276039 -0.00517724 0.00497036  -0.0124114  33  VAL   B HG22 
2203 H HG23 . VAL   B 21  ? 0.28877  0.258299 0.273574 -0.00390768 0.00068946  -0.0115718  33  VAL   B HG23 
2204 N N    . LEU   B 22  ? 0.290787 0.279375 0.258259 -0.00292264 0.00934758  -0.0202905  34  LEU   B N    
2205 C CA   . LEU   B 22  ? 0.289539 0.282316 0.248949 -0.0012795  0.00940642  -0.0278784  34  LEU   B CA   
2206 C C    . LEU   B 22  ? 0.261173 0.258824 0.242139 -0.00708193 0.00938819  -0.0365693  34  LEU   B C    
2207 O O    . LEU   B 22  ? 0.280073 0.281298 0.282305 -0.0111917  0.00540159  -0.0357761  34  LEU   B O    
2208 C CB   . LEU   B 22  ? 0.275121 0.280091 0.229794 0.00486672  5.452e-05   -0.0300943  34  LEU   B CB   
2209 C CG   . LEU   B 22  ? 0.300391 0.300554 0.232713 0.0149762   -0.00211811 -0.0230425  34  LEU   B CG   
2210 C CD1  . LEU   B 22  ? 0.321146 0.341802 0.261182 0.0213432   -0.0128244  -0.0274671  34  LEU   B CD1  
2211 C CD2  . LEU   B 22  ? 0.328458 0.310531 0.226995 0.0215972   0.00294528  -0.0193254  34  LEU   B CD2  
2212 H H    . LEU   B 22  ? 0.276765 0.2715   0.254356 -0.00357491 0.00578496  -0.0192201  34  LEU   B H    
2213 H HA   . LEU   B 22  ? 0.297293 0.281669 0.240736 0.00053341  0.0150843   -0.026502   34  LEU   B HA   
2214 H HB2  . LEU   B 22  ? 0.270483 0.283992 0.243299 0.00143383  -0.00289545 -0.0302487  34  LEU   B HB2  
2215 H HB3  . LEU   B 22  ? 0.291002 0.299859 0.241267 0.006318    -0.00253433 -0.0374063  34  LEU   B HB3  
2216 H HG   . LEU   B 22  ? 0.295452 0.290144 0.231134 0.0138055   0.00039724  -0.0174393  34  LEU   B HG   
2217 H HD11 . LEU   B 22  ? 0.299662 0.3299   0.260104 0.016418    -0.0127841  -0.0271468  34  LEU   B HD11 
2218 H HD12 . LEU   B 22  ? 0.323913 0.341477 0.249719 0.0300619   -0.0150137  -0.0235572  34  LEU   B HD12 
2219 H HD13 . LEU   B 22  ? 0.320886 0.348582 0.260515 0.0221383   -0.0176399  -0.0351196  34  LEU   B HD13 
2220 H HD21 . LEU   B 22  ? 0.328963 0.299975 0.227546 0.0161347   0.0114629   -0.0160832  34  LEU   B HD21 
2221 H HD22 . LEU   B 22  ? 0.338697 0.325027 0.229217 0.02405     0.0007324   -0.0251725  34  LEU   B HD22 
2222 H HD23 . LEU   B 22  ? 0.338979 0.315709 0.223652 0.0293313   0.00010816  -0.0144487  34  LEU   B HD23 
2223 N N    . LYS   B 23  ? 0.269718 0.265111 0.242968 -0.00624162 0.0148874   -0.0442358  35  LYS   B N    
2224 C CA   . LYS   B 23  ? 0.293375 0.29034  0.286125 -0.0093151  0.016309    -0.0544432  35  LYS   B CA   
2225 C C    . LYS   B 23  ? 0.335295 0.335286 0.315789 -0.00509473 0.0142175   -0.0685084  35  LYS   B C    
2226 O O    . LYS   B 23  ? 0.30829  0.306429 0.258654 0.00113207  0.0186578   -0.0693534  35  LYS   B O    
2227 C CB   . LYS   B 23  ? 0.280042 0.273714 0.278484 -0.0109082  0.0283744   -0.0537598  35  LYS   B CB   
2228 C CG   . LYS   B 23  ? 0.289109 0.285796 0.310807 -0.0108241  0.0304492   -0.0655583  35  LYS   B CG   
2229 C CD   . LYS   B 23  ? 0.323534 0.324653 0.358417 -0.0117669  0.043193    -0.0672059  35  LYS   B CD   
2230 C CE   . LYS   B 23  ? 0.303059 0.309229 0.364677 -0.00833188 0.0437328   -0.0797836  35  LYS   B CE   
2231 N NZ   . LYS   B 23  ? 0.288319 0.305832 0.365004 -0.00811773 0.0587027   -0.0849066  35  LYS   B NZ   
2232 H H    . LYS   B 23  ? 0.290381 0.282067 0.243773 -0.00251345 0.0184658   -0.0431163  35  LYS   B H    
2233 H HA   . LYS   B 23  ? 0.278803 0.276779 0.289299 -0.0123114  0.0111639   -0.0536836  35  LYS   B HA   
2234 H HB2  . LYS   B 23  ? 0.275573 0.267515 0.281595 -0.0132222  0.0278537   -0.0468088  35  LYS   B HB2  
2235 H HB3  . LYS   B 23  ? 0.299335 0.290668 0.27946  -0.00903543 0.0358578   -0.0529022  35  LYS   B HB3  
2236 H HG2  . LYS   B 23  ? 0.30603  0.303369 0.31943  -0.00805245 0.0301955   -0.0742406  35  LYS   B HG2  
2237 H HG3  . LYS   B 23  ? 0.28438  0.279642 0.322201 -0.0121478  0.0231391   -0.0645275  35  LYS   B HG3  
2238 H HD2  . LYS   B 23  ? 0.301028 0.301849 0.344224 -0.0146788  0.0417769   -0.060181   35  LYS   B HD2  
2239 H HD3  . LYS   B 23  ? 0.324373 0.325558 0.342415 -0.0112164  0.0530918   -0.0671948  35  LYS   B HD3  
2240 H HE2  . LYS   B 23  ? 0.312591 0.316587 0.366845 -0.00528296 0.0421831   -0.0879084  35  LYS   B HE2  
2241 H HE3  . LYS   B 23  ? 0.292209 0.295965 0.369825 -0.00841266 0.0349031   -0.0773111  35  LYS   B HE3  
2242 H HZ1  . LYS   B 23  ? 0.306896 0.32506  0.366177 -0.00875509 0.0690674   -0.0843976  35  LYS   B HZ1  
2243 H HZ2  . LYS   B 23  ? 0.284921 0.305577 0.375211 -0.0112193  0.0577758   -0.0798818  35  LYS   B HZ2  
2244 H HZ3  . LYS   B 23  ? 0.297673 0.318734 0.388339 -0.00390871 0.0588714   -0.0940724  35  LYS   B HZ3  
2245 N N    . ILE   B 24  ? 0.293646 0.294775 0.295571 -0.00772044 0.00796829  -0.0797413  36  ILE   B N    
2246 C CA   . ILE   B 24  ? 0.313055 0.314438 0.309031 -0.00369055 0.00557792  -0.0981209  36  ILE   B CA   
2247 C C    . ILE   B 24  ? 0.330624 0.325734 0.350448 -0.00468882 0.00988884  -0.10613    36  ILE   B C    
2248 O O    . ILE   B 24  ? 0.31951  0.308654 0.366859 -0.00973983 0.00537081  -0.101934   36  ILE   B O    
2249 C CB   . ILE   B 24  ? 0.326169 0.333307 0.328978 -0.00530188 -0.00994166 -0.109492   36  ILE   B CB   
2250 C CG1  . ILE   B 24  ? 0.33321  0.350451 0.315494 -0.00098444 -0.0163217  -0.103315   36  ILE   B CG1  
2251 C CG2  . ILE   B 24  ? 0.385724 0.390779 0.381564 -0.00013133 -0.0148249  -0.133186   36  ILE   B CG2  
2252 C CD1  . ILE   B 24  ? 0.355575 0.386204 0.353563 -0.00325947 -0.0332625  -0.115811   36  ILE   B CD1  
2253 H H    . ILE   B 24  ? 0.290662 0.290448 0.31104  -0.011907   0.00486681  -0.0759461  36  ILE   B H    
2254 H HA   . ILE   B 24  ? 0.332741 0.334413 0.30475  0.00176837  0.0113815   -0.0993646  36  ILE   B HA   
2255 H HB   . ILE   B 24  ? 0.319423 0.324956 0.346426 -0.0120355  -0.0132714  -0.106508   36  ILE   B HB   
2256 H HG12 . ILE   B 24  ? 0.352455 0.367895 0.306971 0.00654726  -0.012886   -0.104452   36  ILE   B HG12 
2257 H HG13 . ILE   B 24  ? 0.320831 0.337997 0.306858 -0.00325306 -0.0128188  -0.0899759  36  ILE   B HG13 
2258 H HG21 . ILE   B 24  ? 0.380956 0.390337 0.385795 -0.00252488 -0.0263014  -0.142001   36  ILE   B HG21 
2259 H HG22 . ILE   B 24  ? 0.392177 0.398417 0.35987  0.00756762  -0.0105032  -0.135529   36  ILE   B HG22 
2260 H HG23 . ILE   B 24  ? 0.375696 0.37355  0.386079 -0.0014977  -0.0108683  -0.137608   36  ILE   B HG23 
2261 H HD11 . ILE   B 24  ? 0.338283 0.368859 0.364567 -0.0120696  -0.0344081  -0.114575   36  ILE   B HD11 
2262 H HD12 . ILE   B 24  ? 0.349607 0.388763 0.338146 0.00069861  -0.0373423  -0.110602   36  ILE   B HD12 
2263 H HD13 . ILE   B 24  ? 0.369388 0.400281 0.359372 0.0005012   -0.0389681  -0.130798   36  ILE   B HD13 
2264 N N    . VAL   B 25  ? 0.34273  0.338325 0.349815 0.00208339  0.0191389   -0.117826   37  VAL   B N    
2265 C CA   . VAL   B 25  ? 0.350362 0.341868 0.380438 0.00481582  0.0225776   -0.129729   37  VAL   B CA   
2266 C C    . VAL   B 25  ? 0.394169 0.377494 0.431803 0.00523741  0.00896351  -0.147997   37  VAL   B C    
2267 O O    . VAL   B 25  ? 0.377227 0.363331 0.391003 0.0101447   0.00512294  -0.161915   37  VAL   B O    
2268 C CB   . VAL   B 25  ? 0.360853 0.359223 0.378759 0.0126257   0.0404321   -0.13768    37  VAL   B CB   
2269 C CG1  . VAL   B 25  ? 0.370628 0.366447 0.412903 0.0189977   0.0417941   -0.154887   37  VAL   B CG1  
2270 C CG2  . VAL   B 25  ? 0.369909 0.375855 0.390309 0.00864763  0.0542389   -0.120943   37  VAL   B CG2  
2271 H H    . VAL   B 25  ? 0.358189 0.356325 0.340897 0.00617998  0.0240093   -0.118302   37  VAL   B H    
2272 H HA   . VAL   B 25  ? 0.337696 0.326778 0.388437 0.00159793  0.0214624   -0.121743   37  VAL   B HA   
2273 H HB   . VAL   B 25  ? 0.385737 0.385052 0.376423 0.016807    0.0422047   -0.143425   37  VAL   B HB   
2274 H HG11 . VAL   B 25  ? 0.357194 0.347515 0.423821 0.0161965   0.0346523   -0.150673   37  VAL   B HG11 
2275 H HG12 . VAL   B 25  ? 0.389419 0.380246 0.422412 0.0228764   0.0364064   -0.16888    37  VAL   B HG12 
2276 H HG13 . VAL   B 25  ? 0.376212 0.380456 0.419305 0.0228029   0.0551287   -0.156727   37  VAL   B HG13 
2277 H HG21 . VAL   B 25  ? 0.375869 0.387709 0.390795 0.0120861   0.0677756   -0.125385   37  VAL   B HG21 
2278 H HG22 . VAL   B 25  ? 0.360321 0.364687 0.363221 0.00585917  0.0530709   -0.110876   37  VAL   B HG22 
2279 H HG23 . VAL   B 25  ? 0.345569 0.351723 0.391021 0.0057804   0.0506479   -0.11637    37  VAL   B HG23 
2280 N N    . LYS   B 26  ? 0.368754 0.339597 0.438292 0.0009186   0.00133563  -0.149093   38  LYS   B N    
2281 C CA   . LYS   B 26  ? 0.40462  0.363664 0.486123 -0.00141508 -0.0111538  -0.16696    38  LYS   B CA   
2282 C C    . LYS   B 26  ? 0.422362 0.369519 0.51371  0.00780485  -0.00898066 -0.186559   38  LYS   B C    
2283 O O    . LYS   B 26  ? 0.458761 0.396132 0.552059 0.00896856  -0.0183087  -0.208156   38  LYS   B O    
2284 C CB   . LYS   B 26  ? 0.411067 0.357978 0.521021 -0.013533   -0.0199249  -0.155659   38  LYS   B CB   
2285 C CG   . LYS   B 26  ? 0.410717 0.372191 0.514145 -0.0215742  -0.0218352  -0.139113   38  LYS   B CG   
2286 C CD   . LYS   B 26  ? 0.537662 0.515189 0.623584 -0.0209947  -0.0301955  -0.151907   38  LYS   B CD   
2287 C CE   . LYS   B 26  ? 0.527973 0.505186 0.638883 -0.0312074  -0.0437224  -0.164525   38  LYS   B CE   
2288 N NZ   . LYS   B 26  ? 0.581238 0.575586 0.670874 -0.0250534  -0.0545838  -0.181992   38  LYS   B NZ   
2289 H H    . LYS   B 26  ? 0.36404  0.332163 0.44748  -0.00054737 0.0034423   -0.138694   38  LYS   B H    
2290 H HA   . LYS   B 26  ? 0.414657 0.380701 0.479185 -0.00054772 -0.0155453  -0.175385   38  LYS   B HA   
2291 H HB2  . LYS   B 26  ? 0.405655 0.343793 0.52793  -0.0126839  -0.0166463  -0.14633    38  LYS   B HB2  
2292 H HB3  . LYS   B 26  ? 0.428168 0.365669 0.549491 -0.0165499  -0.0274568  -0.168687   38  LYS   B HB3  
2293 H HG2  . LYS   B 26  ? 0.414263 0.381886 0.507007 -0.0186848  -0.0149709  -0.126856   38  LYS   B HG2  
2294 H HG3  . LYS   B 26  ? 0.425443 0.379705 0.547503 -0.029349   -0.0245572  -0.131313   38  LYS   B HG3  
2295 H HD2  . LYS   B 26  ? 0.515796 0.494548 0.583521 -0.0128751  -0.0289088  -0.164009   38  LYS   B HD2  
2296 H HD3  . LYS   B 26  ? 0.489402 0.477718 0.563303 -0.0205732  -0.0278602  -0.140121   38  LYS   B HD3  
2297 H HE2  . LYS   B 26  ? 0.52709  0.507754 0.653029 -0.0392918  -0.0432697  -0.151777   38  LYS   B HE2  
2298 H HE3  . LYS   B 26  ? 0.555343 0.517643 0.681443 -0.0331944  -0.0460581  -0.174611   38  LYS   B HE3  
2299 H HZ1  . LYS   B 26  ? 0.559093 0.564435 0.631613 -0.0211805  -0.0520765  -0.172177   38  LYS   B HZ1  
2300 H HZ2  . LYS   B 26  ? 0.585759 0.57561  0.660127 -0.0174483  -0.0548416  -0.194932   38  LYS   B HZ2  
2301 H HZ3  . LYS   B 26  ? 0.574822 0.573225 0.683187 -0.0319611  -0.06406    -0.190342   38  LYS   B HZ3  
2302 N N    . ARG   B 27  ? 0.417014 0.363646 0.521223 0.0143901   0.00066151  -0.180898   39  ARG   B N    
2303 C CA   . ARG   B 27  ? 0.422608 0.361791 0.537434 0.0266496   0.00416937  -0.201075   39  ARG   B CA   
2304 C C    . ARG   B 27  ? 0.452377 0.411433 0.567503 0.0352571   0.0213277   -0.196868   39  ARG   B C    
2305 O O    . ARG   B 27  ? 0.407068 0.373169 0.536649 0.031769    0.0237538   -0.177623   39  ARG   B O    
2306 C CB   . ARG   B 27  ? 0.479123 0.391095 0.626894 0.0270586   -0.00612509 -0.20205    39  ARG   B CB   
2307 C CG   . ARG   B 27  ? 0.555975 0.457698 0.71612  0.0429289   -0.00408515 -0.22587    39  ARG   B CG   
2308 C CD   . ARG   B 27  ? 0.619977 0.520654 0.807072 0.0529889   -0.00112741 -0.215493   39  ARG   B CD   
2309 N NE   . ARG   B 27  ? 0.637448 0.503908 0.844324 0.0492109   -0.0149723  -0.204502   39  ARG   B NE   
2310 C CZ   . ARG   B 27  ? 0.546629 0.396138 0.772345 0.0544728   -0.0211259  -0.188426   39  ARG   B CZ   
2311 N NH1  . ARG   B 27  ? 0.500677 0.36601  0.73382  0.0611124   -0.0194912  -0.173329   39  ARG   B NH1  
2312 N NH2  . ARG   B 27  ? 0.6028   0.412938 0.83944  0.0518461   -0.0313966  -0.186465   39  ARG   B NH2  
2313 H H    . ARG   B 27  ? 0.393905 0.345845 0.501847 0.0120171   0.00428903  -0.16549    39  ARG   B H    
2314 H HA   . ARG   B 27  ? 0.461449 0.400459 0.561468 0.030244    0.00272599  -0.218049   39  ARG   B HA   
2315 H HB2  . ARG   B 27  ? 0.484395 0.383748 0.635426 0.0189171   -0.0152686  -0.203408   39  ARG   B HB2  
2316 H HB3  . ARG   B 27  ? 0.461606 0.373558 0.619992 0.0255248   -0.00543271 -0.185333   39  ARG   B HB3  
2317 H HG2  . ARG   B 27  ? 0.566084 0.482582 0.709801 0.0493934   0.00429112  -0.238113   39  ARG   B HG2  
2318 H HG3  . ARG   B 27  ? 0.579532 0.460519 0.747189 0.0414687   -0.01338    -0.236745   39  ARG   B HG3  
2319 H HD2  . ARG   B 27  ? 0.579706 0.497904 0.764379 0.0502737   0.00447531  -0.201223   39  ARG   B HD2  
2320 H HD3  . ARG   B 27  ? 0.618946 0.523298 0.812348 0.0651079   0.00391587  -0.230875   39  ARG   B HD3  
2321 H HE   . ARG   B 27  ? 0.621487 0.473629 0.826126 0.0420038   -0.020633   -0.208672   39  ARG   B HE   
2322 H HH11 . ARG   B 27  ? 0.486472 0.372477 0.711182 0.0560281   -0.0144604  -0.165633   39  ARG   B HH11 
2323 H HH12 . ARG   B 27  ? 0.519744 0.374495 0.766615 0.0710825   -0.0244073  -0.171675   39  ARG   B HH12 
2324 H HH21 . ARG   B 27  ? 0.61729  0.412528 0.859221 0.0553207   -0.0340547  -0.202693   39  ARG   B HH21 
2325 H HH22 . ARG   B 27  ? 0.591282 0.388512 0.829454 0.0465733   -0.0350937  -0.168853   39  ARG   B HH22 
2326 N N    . VAL   B 28  ? 0.422309 0.393091 0.519906 0.0455385   0.0341884   -0.214415   40  VAL   B N    
2327 C CA   . VAL   B 28  ? 0.457738 0.451592 0.55879  0.0510158   0.0547279   -0.210696   40  VAL   B CA   
2328 C C    . VAL   B 28  ? 0.467621 0.463508 0.611928 0.059438    0.0547361   -0.214198   40  VAL   B C    
2329 O O    . VAL   B 28  ? 0.466442 0.445029 0.626648 0.0686906   0.0453526   -0.229874   40  VAL   B O    
2330 C CB   . VAL   B 28  ? 0.534589 0.541303 0.601335 0.0597935   0.0730232   -0.225584   40  VAL   B CB   
2331 C CG1  . VAL   B 28  ? 0.586982 0.618917 0.666297 0.0637685   0.0983525   -0.222638   40  VAL   B CG1  
2332 C CG2  . VAL   B 28  ? 0.518034 0.524432 0.539837 0.0533881   0.0725677   -0.215863   40  VAL   B CG2  
2333 H H    . VAL   B 28  ? 0.464582 0.429591 0.548389 0.0490267   0.0307761   -0.229392   40  VAL   B H    
2334 H HA   . VAL   B 28  ? 0.440699 0.441372 0.538032 0.0430868   0.0570326   -0.19388    40  VAL   B HA   
2335 H HB   . VAL   B 28  ? 0.553218 0.551553 0.617936 0.0680781   0.0687959   -0.244409   40  VAL   B HB   
2336 H HG11 . VAL   B 28  ? 0.544304 0.582327 0.638721 0.0556697   0.0987712   -0.206639   40  VAL   B HG11 
2337 H HG12 . VAL   B 28  ? 0.575887 0.611137 0.677829 0.0726535   0.100532    -0.235459   40  VAL   B HG12 
2338 H HG13 . VAL   B 28  ? 0.587734 0.626602 0.638087 0.06588     0.11224     -0.224441   40  VAL   B HG13 
2339 H HG21 . VAL   B 28  ? 0.551087 0.562221 0.545947 0.0607458   0.0830739   -0.225297   40  VAL   B HG21 
2340 H HG22 . VAL   B 28  ? 0.523281 0.517908 0.542128 0.0499577   0.0562676   -0.218209   40  VAL   B HG22 
2341 H HG23 . VAL   B 28  ? 0.505359 0.518254 0.528159 0.0461517   0.0778476   -0.198224   40  VAL   B HG23 
2342 N N    . GLY   B 29  ? 0.481419 0.497813 0.645395 0.0567797   0.0637922   -0.200423   41  GLY   B N    
2343 C CA   . GLY   B 29  ? 0.423664 0.450713 0.6307   0.0666191   0.0633299   -0.20424    41  GLY   B CA   
2344 C C    . GLY   B 29  ? 0.480542 0.535788 0.700357 0.077266    0.0861472   -0.221539   41  GLY   B C    
2345 O O    . GLY   B 29  ? 0.436432 0.495812 0.625902 0.079553    0.101692    -0.232616   41  GLY   B O    
2346 H H    . GLY   B 29  ? 0.448559 0.472809 0.599438 0.0488137   0.0693872   -0.188932   41  GLY   B H    
2347 H HA2  . GLY   B 29  ? 0.452951 0.461879 0.670741 0.0728776   0.0507293   -0.209557   41  GLY   B HA2  
2348 H HA3  . GLY   B 29  ? 0.423727 0.457571 0.642148 0.0607762   0.0601573   -0.190282   41  GLY   B HA3  
2349 N N    . ASN   B 30  ? 0.498139 0.573851 0.763538 0.0857364   0.0875962   -0.225114   42  ASN   B N    
2350 C CA   . ASN   B 30  ? 0.513245 0.621242 0.804099 0.0974629   0.109783    -0.243395   42  ASN   B CA   
2351 C C    . ASN   B 30  ? 0.492997 0.637818 0.814572 0.0874408   0.124272    -0.233029   42  ASN   B C    
2352 O O    . ASN   B 30  ? 0.435834 0.579182 0.773132 0.0792965   0.108133    -0.21765    42  ASN   B O    
2353 C CB   . ASN   B 30  ? 0.547252 0.656165 0.881331 0.118286    0.098218    -0.259953   42  ASN   B CB   
2354 C CG   . ASN   B 30  ? 0.700309 0.763414 1.01981  0.123943    0.0726928   -0.260751   42  ASN   B CG   
2355 O OD1  . ASN   B 30  ? 0.647844 0.691751 0.978432 0.122372    0.0507754   -0.245457   42  ASN   B OD1  
2356 N ND2  . ASN   B 30  ? 0.797959 0.841621 1.0889   0.128973    0.0759732   -0.277616   42  ASN   B ND2  
2357 H H    . ASN   B 30  ? 0.477953 0.54884  0.759764 0.0847123   0.074115    -0.216003   42  ASN   B H    
2358 H HA   . ASN   B 30  ? 0.537269 0.645427 0.80312  0.0996907   0.12324     -0.252744   42  ASN   B HA   
2359 H HB2  . ASN   B 30  ? 0.552713 0.676635 0.917737 0.118532    0.0926857   -0.253875   42  ASN   B HB2  
2360 H HB3  . ASN   B 30  ? 0.588785 0.71281  0.93014  0.128493    0.113085    -0.276609   42  ASN   B HB3  
2361 H HD21 . ASN   B 30  ? 0.786499 0.802678 1.07189  0.13128     0.0620358   -0.28011    42  ASN   B HD21 
2362 H HD22 . ASN   B 30  ? 0.783584 0.841043 1.06049  0.130022    0.0919515   -0.286704   42  ASN   B HD22 
2363 N N    . GLY   B 31  ? 0.537063 0.71546  0.873223 0.0900244   0.153806    -0.244269   43  GLY   B N    
2364 C CA   . GLY   B 31  ? 0.546343 0.764514 0.929707 0.0817526   0.168015    -0.240333   43  GLY   B CA   
2365 C C    . GLY   B 31  ? 0.517582 0.734707 0.875495 0.0582162   0.181152    -0.218751   43  GLY   B C    
2366 O O    . GLY   B 31  ? 0.642265 0.82772  0.948727 0.0506173   0.173285    -0.205404   43  GLY   B O    
2367 H H    . GLY   B 31  ? 0.55733  0.734348 0.874377 0.0967644   0.165891    -0.255216   43  GLY   B H    
2368 H HA2  . GLY   B 31  ? 0.550566 0.793243 0.953218 0.0888968   0.187519    -0.253589   43  GLY   B HA2  
2369 H HA3  . GLY   B 31  ? 0.51896  0.740729 0.934115 0.0852542   0.14952     -0.239583   43  GLY   B HA3  
2370 N N    . GLU   B 32  ? 0.543683 0.796534 0.942322 0.0470284   0.201641    -0.216691   44  GLU   B N    
2371 C CA   . GLU   B 32  ? 0.591082 0.842697 0.972742 0.0241021   0.218661    -0.197175   44  GLU   B CA   
2372 C C    . GLU   B 32  ? 0.465015 0.710204 0.868001 0.0119837   0.191916    -0.184366   44  GLU   B C    
2373 O O    . GLU   B 32  ? 0.486977 0.716373 0.865587 -0.00491381 0.195004    -0.166924   44  GLU   B O    
2374 C CB   . GLU   B 32  ? 0.547228 0.837809 0.958708 0.0188885   0.260265    -0.204153   44  GLU   B CB   
2375 H H    . GLU   B 32  ? 0.544173 0.822957 0.985647 0.0540534   0.204889    -0.228532   44  GLU   B H    
2376 H HA   . GLU   B 32  ? 0.562825 0.789485 0.893797 0.0222985   0.221243    -0.189036   44  GLU   B HA   
2379 N N    . GLU   B 33  ? 0.417581 0.675609 0.866642 0.0221163   0.165772    -0.193794   45  GLU   B N    
2380 C CA   . GLU   B 33  ? 0.387302 0.645466 0.859599 0.013696    0.141252    -0.185805   45  GLU   B CA   
2381 C C    . GLU   B 33  ? 0.420118 0.633343 0.836246 0.0124468   0.117881    -0.169118   45  GLU   B C    
2382 O O    . GLU   B 33  ? 0.405593 0.594163 0.791446 0.0247464   0.105917    -0.16963    45  GLU   B O    
2383 C CB   . GLU   B 33  ? 0.450061 0.736838 0.984153 0.0295217   0.120017    -0.202204   45  GLU   B CB   
2384 H H    . GLU   B 33  ? 0.429389 0.695255 0.893873 0.0363803   0.162359    -0.206248   45  GLU   B H    
2385 H HA   . GLU   B 33  ? 0.408717 0.678568 0.893228 -0.00137777 0.155236    -0.181095   45  GLU   B HA   
2388 N N    . THR   B 34  ? 0.413358 0.616386 0.819098 -0.00294974 0.111551    -0.155267   46  THR   B N    
2389 C CA   . THR   B 34  ? 0.369588 0.539988 0.739108 -0.00189532 0.0853716   -0.142163   46  THR   B CA   
2390 C C    . THR   B 34  ? 0.380457 0.564025 0.786305 -0.00342642 0.0635873   -0.144001   46  THR   B C    
2391 O O    . THR   B 34  ? 0.449997 0.665998 0.905805 -0.010133   0.071248    -0.154164   46  THR   B O    
2392 C CB   . THR   B 34  ? 0.394099 0.538152 0.711491 -0.0149864  0.0957569   -0.125781   46  THR   B CB   
2393 O OG1  . THR   B 34  ? 0.351029 0.510683 0.691529 -0.0308803  0.112493    -0.123987   46  THR   B OG1  
2394 C CG2  . THR   B 34  ? 0.423913 0.55648  0.701921 -0.0119221  0.114593    -0.125575   46  THR   B CG2  
2395 H H    . THR   B 34  ? 0.406284 0.622787 0.828511 -0.014513   0.124986    -0.154224   46  THR   B H    
2396 H HA   . THR   B 34  ? 0.385077 0.543527 0.743066 0.00964936  0.074647    -0.144149   46  THR   B HA   
2397 H HB   . THR   B 34  ? 0.374313 0.5005   0.672143 -0.0146477  0.0793515   -0.117702   46  THR   B HB   
2399 H HG21 . THR   B 34  ? 0.423836 0.539147 0.668386 -0.0180282  0.116899    -0.114899   46  THR   B HG21 
2400 H HG22 . THR   B 34  ? 0.431331 0.580776 0.723663 -0.0136152  0.134088    -0.13161    46  THR   B HG22 
2401 H HG23 . THR   B 34  ? 0.419601 0.544914 0.691142 -0.0014561  0.104638    -0.130687   46  THR   B HG23 
2402 N N    . PRO   B 35  ? 0.346201 0.508679 0.7328   0.00478924  0.0353319   -0.136895   47  PRO   B N    
2403 C CA   . PRO   B 35  ? 0.391991 0.565827 0.805965 0.00721786  0.0116245   -0.140516   47  PRO   B CA   
2404 C C    . PRO   B 35  ? 0.444504 0.625423 0.86892  -0.0121923  0.0170258   -0.139025   47  PRO   B C    
2405 O O    . PRO   B 35  ? 0.312315 0.472266 0.700751 -0.0254658  0.0313572   -0.126855   47  PRO   B O    
2406 C CB   . PRO   B 35  ? 0.361034 0.502891 0.734178 0.0185695   -0.0126156  -0.12841    47  PRO   B CB   
2407 C CG   . PRO   B 35  ? 0.385706 0.500786 0.718472 0.0213436   -0.00245024 -0.119721   47  PRO   B CG   
2408 C CD   . PRO   B 35  ? 0.356336 0.483887 0.693713 0.011868    0.0262403   -0.125581   47  PRO   B CD   
2409 H HA   . PRO   B 35  ? 0.386363 0.582343 0.837637 0.01571     0.00675589  -0.152249   47  PRO   B HA   
2410 H HB2  . PRO   B 35  ? 0.372118 0.50437  0.728082 0.0118278   -0.0180456  -0.121617   47  PRO   B HB2  
2411 H HB3  . PRO   B 35  ? 0.378071 0.525618 0.767901 0.0313475   -0.0294541  -0.13337    47  PRO   B HB3  
2412 H HG2  . PRO   B 35  ? 0.372342 0.467618 0.672629 0.0171893   -0.00568478 -0.108537   47  PRO   B HG2  
2413 H HG3  . PRO   B 35  ? 0.380497 0.490528 0.717707 0.033811    -0.0113138  -0.122305   47  PRO   B HG3  
2414 H HD2  . PRO   B 35  ? 0.360397 0.474643 0.668503 0.00284884  0.0346707   -0.11698    47  PRO   B HD2  
2415 H HD3  . PRO   B 35  ? 0.366769 0.493228 0.705237 0.0199006   0.0302754   -0.13115    47  PRO   B HD3  
2416 N N    . MET   B 36  ? 0.405788 0.617206 0.883842 -0.0129946  0.00513391  -0.153369   48  MET   B N    
2417 C CA   . MET   B 36  ? 0.403407 0.621969 0.90186  -0.0310146  0.00443318  -0.156487   48  MET   B CA   
2418 C C    . MET   B 36  ? 0.400431 0.601208 0.874966 -0.0209058  -0.030375   -0.154464   48  MET   B C    
2419 O O    . MET   B 36  ? 0.369797 0.569067 0.837726 0.00010982  -0.053647   -0.155929   48  MET   B O    
2420 C CB   . MET   B 36  ? 0.467218 0.733835 1.04493  -0.0365995  0.00729524  -0.177345   48  MET   B CB   
2421 C CG   . MET   B 36  ? 0.400572 0.696604 1.01641  -0.0458634  0.0444669   -0.183329   48  MET   B CG   
2422 S SD   . MET   B 36  ? 0.42197  0.695868 1.00931  -0.0743731  0.0848236   -0.166723   48  MET   B SD   
2423 C CE   . MET   B 36  ? 0.469221 0.761308 1.05864  -0.0686823  0.122136    -0.168121   48  MET   B CE   
2424 H H    . MET   B 36  ? 0.413465 0.642021 0.91854  -0.00142113 -0.00392332 -0.162806   48  MET   B H    
2425 H HA   . MET   B 36  ? 0.416078 0.619626 0.892525 -0.0440251  0.0225418   -0.147288   48  MET   B HA   
2426 H HB2  . MET   B 36  ? 0.434995 0.714659 1.03057  -0.0210442  -0.0136558  -0.186097   48  MET   B HB2  
2427 H HB3  . MET   B 36  ? 0.438768 0.707709 1.03123  -0.0488295  0.00305517  -0.180603   48  MET   B HB3  
2428 H HG2  . MET   B 36  ? 0.416425 0.709279 1.01676  -0.0332442  0.048718    -0.181929   48  MET   B HG2  
2429 H HG3  . MET   B 36  ? 0.416852 0.746895 1.08809  -0.0475341  0.0421953   -0.198      48  MET   B HG3  
2430 H HE1  . MET   B 36  ? 0.472109 0.752712 1.0417   -0.0811523  0.146647    -0.158261   48  MET   B HE1  
2431 H HE2  . MET   B 36  ? 0.455426 0.733363 1.01309  -0.0535892  0.113608    -0.165531   48  MET   B HE2  
2432 H HE3  . MET   B 36  ? 0.458283 0.785499 1.09995  -0.0674314  0.12627     -0.182018   48  MET   B HE3  
2433 N N    . ILE   B 37  ? 0.380156 0.569279 0.846403 -0.0340966  -0.0355339  -0.153397   49  ILE   B N    
2434 C CA   . ILE   B 37  ? 0.311479 0.489222 0.759218 -0.0233058  -0.0686338  -0.156099   49  ILE   B CA   
2435 C C    . ILE   B 37  ? 0.278148 0.488686 0.773563 -0.00820184 -0.0971131  -0.175465   49  ILE   B C    
2436 O O    . ILE   B 37  ? 0.264547 0.513206 0.826156 -0.0162171  -0.0932647  -0.193171   49  ILE   B O    
2437 C CB   . ILE   B 37  ? 0.401274 0.566779 0.846928 -0.0414283  -0.0683539  -0.158684   49  ILE   B CB   
2438 C CG1  . ILE   B 37  ? 0.453161 0.583377 0.846782 -0.051281   -0.0456787  -0.139138   49  ILE   B CG1  
2439 C CG2  . ILE   B 37  ? 0.362651 0.523599 0.798034 -0.0294391  -0.10516    -0.168862   49  ILE   B CG2  
2440 C CD1  . ILE   B 37  ? 0.522966 0.635533 0.91409  -0.0678429  -0.0442156  -0.141253   49  ILE   B CD1  
2441 H H    . ILE   B 37  ? 0.369666 0.556702 0.840686 -0.0493323  -0.0179326  -0.151281   49  ILE   B H    
2442 H HA   . ILE   B 37  ? 0.330743 0.486215 0.735335 -0.0133225  -0.0734637  -0.144328   49  ILE   B HA   
2443 H HB   . ILE   B 37  ? 0.383772 0.569527 0.873645 -0.0543849  -0.0588515  -0.168563   49  ILE   B HB   
2444 H HG12 . ILE   B 37  ? 0.450493 0.563442 0.804194 -0.039659   -0.0531568  -0.129627   49  ILE   B HG12 
2445 H HG13 . ILE   B 37  ? 0.446095 0.580646 0.845752 -0.057544   -0.0240749  -0.134387   49  ILE   B HG13 
2446 H HG21 . ILE   B 37  ? 0.386517 0.534143 0.813665 -0.0397203  -0.104554   -0.170017   49  ILE   B HG21 
2447 H HG22 . ILE   B 37  ? 0.379749 0.525001 0.775738 -0.0146492  -0.114769   -0.159526   49  ILE   B HG22 
2448 H HG23 . ILE   B 37  ? 0.380013 0.566757 0.855926 -0.0255848  -0.119545   -0.183982   49  ILE   B HG23 
2449 H HD11 . ILE   B 37  ? 0.509204 0.640081 0.945244 -0.0789524  -0.0425019  -0.153282   49  ILE   B HD11 
2450 H HD12 . ILE   B 37  ? 0.506831 0.60076  0.873433 -0.075123   -0.0256068  -0.129197   49  ILE   B HD12 
2451 H HD13 . ILE   B 37  ? 0.510501 0.611185 0.879625 -0.0596573  -0.063458   -0.143025   49  ILE   B HD13 
2452 N N    . GLY   B 38  ? 0.288939 0.48559  0.751466 0.0139415   -0.127418   -0.172799   50  GLY   B N    
2453 C CA   . GLY   B 38  ? 0.353488 0.575546 0.848682 0.0352744   -0.158589   -0.188194   50  GLY   B CA   
2454 C C    . GLY   B 38  ? 0.352124 0.575612 0.847388 0.0564741   -0.159424   -0.182772   50  GLY   B C    
2455 O O    . GLY   B 38  ? 0.391841 0.623981 0.895454 0.080419    -0.188795   -0.189712   50  GLY   B O    
2456 H H    . GLY   B 38  ? 0.304538 0.474595 0.721183 0.0167264   -0.128478   -0.160382   50  GLY   B H    
2457 H HA2  . GLY   B 38  ? 0.354787 0.563672 0.822024 0.0451465   -0.180117   -0.187393   50  GLY   B HA2  
2458 H HA3  . GLY   B 38  ? 0.336581 0.588611 0.883664 0.0272431   -0.160177   -0.204777   50  GLY   B HA3  
2459 N N    . ASP   B 39  ? 0.346689 0.562512 0.835747 0.0487852   -0.128994   -0.172937   51  ASP   B N    
2460 C CA   . ASP   B 39  ? 0.349907 0.565163 0.843558 0.0669851   -0.126988   -0.170929   51  ASP   B CA   
2461 C C    . ASP   B 39  ? 0.327254 0.501987 0.761789 0.0876271   -0.146819   -0.153114   51  ASP   B C    
2462 O O    . ASP   B 39  ? 0.384927 0.528941 0.766622 0.0821627   -0.146793   -0.137375   51  ASP   B O    
2463 C CB   . ASP   B 39  ? 0.328435 0.539397 0.818733 0.0539962   -0.0906582  -0.165421   51  ASP   B CB   
2464 C CG   . ASP   B 39  ? 0.33662  0.588738 0.886899 0.0400066   -0.0660948  -0.18165    51  ASP   B CG   
2465 O OD1  . ASP   B 39  ? 0.27752  0.566895 0.884132 0.0376388   -0.0764204  -0.199075   51  ASP   B OD1  
2466 O OD2  . ASP   B 39  ? 0.381001 0.62952  0.922621 0.0312321   -0.0357722  -0.177637   51  ASP   B OD2  
2467 H H    . ASP   B 39  ? 0.333956 0.543099 0.814217 0.0325308   -0.10937    -0.167885   51  ASP   B H    
2468 H HA   . ASP   B 39  ? 0.343185 0.586848 0.880884 0.0758232   -0.137329   -0.185551   51  ASP   B HA   
2469 H HB2  . ASP   B 39  ? 0.329944 0.519251 0.784463 0.0426242   -0.0802659  -0.153728   51  ASP   B HB2  
2470 H HB3  . ASP   B 39  ? 0.340385 0.539749 0.819661 0.0670283   -0.0921523  -0.161695   51  ASP   B HB3  
2471 N N    . LYS   B 40  ? 0.339142 0.512437 0.782963 0.111778    -0.161463   -0.15469    52  LYS   B N    
2472 C CA   . LYS   B 40  ? 0.341328 0.472106 0.731838 0.131019    -0.175678   -0.135325   52  LYS   B CA   
2473 C C    . LYS   B 40  ? 0.336337 0.441872 0.707276 0.123405    -0.149184   -0.123863   52  LYS   B C    
2474 O O    . LYS   B 40  ? 0.362736 0.485931 0.7702   0.123224    -0.134955   -0.135863   52  LYS   B O    
2475 C CB   . LYS   B 40  ? 0.386804 0.520293 0.792873 0.163069    -0.205452   -0.140665   52  LYS   B CB   
2476 H H    . LYS   B 40  ? 0.332338 0.531719 0.81872  0.11658     -0.161656   -0.168159   52  LYS   B H    
2477 H HA   . LYS   B 40  ? 0.356004 0.46995  0.710553 0.127934    -0.181494   -0.125522   52  LYS   B HA   
2480 N N    . VAL   B 41  ? 0.363515 0.43197  0.67955  0.115021    -0.140707   -0.10319    53  VAL   B N    
2481 C CA   . VAL   B 41  ? 0.343541 0.391133 0.642832 0.104012    -0.11671    -0.0951078  53  VAL   B CA   
2482 C C    . VAL   B 41  ? 0.353428 0.356718 0.61351  0.116109    -0.123812   -0.075773   53  VAL   B C    
2483 O O    . VAL   B 41  ? 0.381347 0.362945 0.603472 0.122173    -0.136303   -0.059631   53  VAL   B O    
2484 C CB   . VAL   B 41  ? 0.327362 0.37449  0.603782 0.0798675   -0.0978007  -0.0892005  53  VAL   B CB   
2485 C CG1  . VAL   B 41  ? 0.378016 0.406794 0.636784 0.0697922   -0.0769316  -0.0830659  53  VAL   B CG1  
2486 C CG2  . VAL   B 41  ? 0.388372 0.471476 0.700778 0.0661202   -0.088148   -0.104916   53  VAL   B CG2  
2487 H H    . VAL   B 41  ? 0.36414  0.421519 0.653638 0.116604    -0.150477   -0.0951023  53  VAL   B H    
2488 H HA   . VAL   B 41  ? 0.336859 0.399144 0.665273 0.104762    -0.108417   -0.106507   53  VAL   B HA   
2489 H HB   . VAL   B 41  ? 0.357395 0.391139 0.605862 0.0805458   -0.105936   -0.0790308  53  VAL   B HB   
2490 H HG11 . VAL   B 41  ? 0.360032 0.394426 0.63969  0.0747836   -0.0727784  -0.0918264  53  VAL   B HG11 
2491 H HG12 . VAL   B 41  ? 0.370694 0.374966 0.602454 0.0723854   -0.0804281  -0.070466   53  VAL   B HG12 
2492 H HG13 . VAL   B 41  ? 0.344287 0.379896 0.597873 0.0562525   -0.0643498  -0.0835808  53  VAL   B HG13 
2493 H HG21 . VAL   B 41  ? 0.350615 0.428466 0.645122 0.0526326   -0.0765662  -0.0996631  53  VAL   B HG21 
2494 H HG22 . VAL   B 41  ? 0.365165 0.461215 0.691632 0.0710168   -0.102906   -0.110787   53  VAL   B HG22 
2495 H HG23 . VAL   B 41  ? 0.355956 0.454068 0.695692 0.0661289   -0.0785052  -0.114675   53  VAL   B HG23 
2496 N N    . TYR   B 42  ? 0.366741 0.354723 0.63354  0.117114    -0.112351   -0.0772208  54  TYR   B N    
2497 C CA   . TYR   B 42  ? 0.386185 0.329819 0.627702 0.126774    -0.116184   -0.0618154  54  TYR   B CA   
2498 C C    . TYR   B 42  ? 0.378925 0.305799 0.604934 0.107011    -0.0944647  -0.0575651  54  TYR   B C    
2499 O O    . TYR   B 42  ? 0.3728   0.315638 0.620876 0.100206    -0.0808161  -0.0737698  54  TYR   B O    
2500 C CB   . TYR   B 42  ? 0.433371 0.371729 0.704863 0.148105    -0.125232   -0.0729208  54  TYR   B CB   
2501 C CG   . TYR   B 42  ? 0.469977 0.428322 0.764402 0.172286    -0.150486   -0.0805146  54  TYR   B CG   
2502 C CD1  . TYR   B 42  ? 0.450161 0.460512 0.78928  0.171413    -0.152594   -0.102231   54  TYR   B CD1  
2503 C CD2  . TYR   B 42  ? 0.532105 0.456492 0.804348 0.196063    -0.172126   -0.0658409  54  TYR   B CD2  
2504 C CE1  . TYR   B 42  ? 0.493453 0.52656  0.860117 0.193959    -0.178671   -0.112304   54  TYR   B CE1  
2505 C CE2  . TYR   B 42  ? 0.56515  0.507895 0.856982 0.221714    -0.19903    -0.0740462  54  TYR   B CE2  
2506 C CZ   . TYR   B 42  ? 0.564122 0.563753 0.905036 0.220364    -0.203654   -0.098597   54  TYR   B CZ   
2507 O OH   . TYR   B 42  ? 0.698707 0.717334 1.06236  0.247617    -0.233827   -0.108224   54  TYR   B OH   
2508 H H    . TYR   B 42  ? 0.346224 0.351504 0.634955 0.110944    -0.100703   -0.089104   54  TYR   B H    
2509 H HA   . TYR   B 42  ? 0.411958 0.338529 0.627017 0.132326    -0.126312   -0.0474798  54  TYR   B HA   
2510 H HB2  . TYR   B 42  ? 0.41588  0.371237 0.710961 0.142809    -0.113368   -0.0874327  54  TYR   B HB2  
2511 H HB3  . TYR   B 42  ? 0.457213 0.361161 0.710612 0.152447    -0.126326   -0.0616947  54  TYR   B HB3  
2512 H HD1  . TYR   B 42  ? 0.428475 0.459083 0.780207 0.155265    -0.136343   -0.110215   54  TYR   B HD1  
2513 H HD2  . TYR   B 42  ? 0.552988 0.440686 0.796987 0.195396    -0.168739   -0.0500738  54  TYR   B HD2  
2514 H HE1  . TYR   B 42  ? 0.474809 0.545206 0.877056 0.191529    -0.179515   -0.127999   54  TYR   B HE1  
2515 H HE2  . TYR   B 42  ? 0.605431 0.522226 0.877361 0.239836    -0.214489   -0.0626982  54  TYR   B HE2  
2517 N N    . VAL   B 43  ? 0.390027 0.28785  0.578512 0.0988313   -0.0916557  -0.0367678  55  VAL   B N    
2518 C CA   . VAL   B 43  ? 0.4129   0.29833  0.590204 0.0798644   -0.0741404  -0.0336519  55  VAL   B CA   
2519 C C    . VAL   B 43  ? 0.455692 0.296222 0.612293 0.0801604   -0.0744352  -0.0144419  55  VAL   B C    
2520 O O    . VAL   B 43  ? 0.455647 0.272335 0.592814 0.0931967   -0.0854535  0.00307118  55  VAL   B O    
2521 C CB   . VAL   B 43  ? 0.377959 0.281886 0.537569 0.061857    -0.0634215  -0.0298093  55  VAL   B CB   
2522 C CG1  . VAL   B 43  ? 0.356464 0.297658 0.535721 0.0588263   -0.0603546  -0.0461359  55  VAL   B CG1  
2523 C CG2  . VAL   B 43  ? 0.399862 0.291171 0.526575 0.0637138   -0.0695578  -0.00925598 55  VAL   B CG2  
2524 H H    . VAL   B 43  ? 0.413394 0.300432 0.583642 0.105611    -0.100846   -0.0249493  55  VAL   B H    
2525 H HA   . VAL   B 43  ? 0.398901 0.291935 0.595028 0.078575    -0.0683756  -0.0475567  55  VAL   B HA   
2526 H HB   . VAL   B 43  ? 0.377046 0.275048 0.533466 0.0513318   -0.0536942  -0.0302691  55  VAL   B HB   
2527 H HG11 . VAL   B 43  ? 0.357932 0.307564 0.543228 0.0676097   -0.0708933  -0.0470454  55  VAL   B HG11 
2528 H HG12 . VAL   B 43  ? 0.349959 0.299127 0.548128 0.059296    -0.0549607  -0.0584482  55  VAL   B HG12 
2529 H HG13 . VAL   B 43  ? 0.33905  0.287513 0.506354 0.0479046   -0.0529906  -0.0437315  55  VAL   B HG13 
2530 H HG21 . VAL   B 43  ? 0.379054 0.285149 0.497996 0.0555373   -0.0648745  -0.00980991 55  VAL   B HG21 
2531 H HG22 . VAL   B 43  ? 0.414115 0.283178 0.52766  0.0606694   -0.065652   0.00255071  55  VAL   B HG22 
2532 H HG23 . VAL   B 43  ? 0.410816 0.301386 0.537155 0.076766    -0.0818883  -0.00789184 55  VAL   B HG23 
2533 N N    . HIS   B 44  ? 0.420724 0.250601 0.580468 0.0646675   -0.061617   -0.0178978  56  HIS   B N    
2534 C CA   . HIS   B 44  ? 0.455975 0.253373 0.599398 0.0531998   -0.0548897  -0.00011851 56  HIS   B CA   
2535 C C    . HIS   B 44  ? 0.418344 0.23801  0.553465 0.0332341   -0.0425123  -0.00022127 56  HIS   B C    
2536 O O    . HIS   B 44  ? 0.433524 0.281906 0.577894 0.0278393   -0.0383436  -0.0170476  56  HIS   B O    
2537 C CB   . HIS   B 44  ? 0.472723 0.238396 0.633904 0.0508629   -0.0529703  -0.00745498 56  HIS   B CB   
2538 C CG   . HIS   B 44  ? 0.549984 0.276067 0.709876 0.0693589   -0.0638642  0.00345834  56  HIS   B CG   
2539 N ND1  . HIS   B 44  ? 0.604587 0.303749 0.736001 0.0750213   -0.0668019  0.0318533   56  HIS   B ND1  
2540 C CD2  . HIS   B 44  ? 0.592548 0.301922 0.771601 0.0859717   -0.0727082  -0.00890207 56  HIS   B CD2  
2541 C CE1  . HIS   B 44  ? 0.683436 0.346091 0.815175 0.0944969   -0.0780178  0.0381203   56  HIS   B CE1  
2542 N NE2  . HIS   B 44  ? 0.66161  0.33167  0.824659 0.102255    -0.0827546  0.0124839   56  HIS   B NE2  
2543 H H    . HIS   B 44  ? 0.414629 0.259538 0.588795 0.0608649   -0.0566787  -0.0330186  56  HIS   B H    
2544 H HA   . HIS   B 44  ? 0.472042 0.25398  0.597975 0.0597125   -0.0593167  0.016626    56  HIS   B HA   
2545 H HB2  . HIS   B 44  ? 0.467012 0.247916 0.644479 0.0515037   -0.0520793  -0.0265688  56  HIS   B HB2  
2546 H HB3  . HIS   B 44  ? 0.485547 0.241241 0.642987 0.0366876   -0.0453563  -0.00127667 56  HIS   B HB3  
2548 H HD2  . HIS   B 44  ? 0.581324 0.302952 0.779472 0.0880026   -0.0721271  -0.0285546  56  HIS   B HD2  
2549 H HE1  . HIS   B 44  ? 0.705845 0.34259  0.81705  0.103378    -0.0821644  0.0573144   56  HIS   B HE1  
2551 N N    . TYR   B 45  ? 0.422413 0.230624 0.536778 0.0251223   -0.0366524  0.0204386   57  TYR   B N    
2552 C CA   . TYR   B 45  ? 0.378222 0.207777 0.486814 0.0083406   -0.0255949  0.0211429   57  TYR   B CA   
2553 C C    . TYR   B 45  ? 0.418331 0.227231 0.522197 -0.00484182 -0.0149603  0.039214    57  TYR   B C    
2554 O O    . TYR   B 45  ? 0.483899 0.259931 0.577215 -0.00050185 -0.014082   0.0584464   57  TYR   B O    
2555 C CB   . TYR   B 45  ? 0.359616 0.214618 0.448606 0.0132825   -0.027516   0.0244737   57  TYR   B CB   
2556 C CG   . TYR   B 45  ? 0.382168 0.223038 0.441778 0.0204914   -0.0284123  0.0470301   57  TYR   B CG   
2557 C CD1  . TYR   B 45  ? 0.38914  0.229653 0.432749 0.0106977   -0.016055   0.0619676   57  TYR   B CD1  
2558 C CD2  . TYR   B 45  ? 0.452439 0.278939 0.499876 0.0392176   -0.0418023  0.0533702   57  TYR   B CD2  
2559 C CE1  . TYR   B 45  ? 0.481511 0.308187 0.492526 0.0191997   -0.0144025  0.0829542   57  TYR   B CE1  
2560 C CE2  . TYR   B 45  ? 0.484472 0.295343 0.49714  0.0489366   -0.0437463  0.0740128   57  TYR   B CE2  
2561 C CZ   . TYR   B 45  ? 0.499296 0.309954 0.490992 0.0389699   -0.0288426  0.0891087   57  TYR   B CZ   
2562 O OH   . TYR   B 45  ? 0.595609 0.388373 0.547746 0.0505685   -0.028619   0.110312    57  TYR   B OH   
2563 H H    . TYR   B 45  ? 0.446678 0.233459 0.549661 0.0311404   -0.0391332  0.0347787   57  TYR   B H    
2564 H HA   . TYR   B 45  ? 0.369375 0.21142  0.491782 0.00256446  -0.0237084  0.00582396  57  TYR   B HA   
2565 H HB2  . TYR   B 45  ? 0.337974 0.209915 0.427094 0.00422365  -0.0214634  0.0199481   57  TYR   B HB2  
2566 H HB3  . TYR   B 45  ? 0.348952 0.214007 0.444364 0.0214426   -0.0343556  0.0146366   57  TYR   B HB3  
2567 H HD1  . TYR   B 45  ? 0.386566 0.238925 0.440625 -0.00082512 -0.00858128 0.0569999   57  TYR   B HD1  
2568 H HD2  . TYR   B 45  ? 0.437622 0.26699  0.499893 0.0467339   -0.0501947  0.0425166   57  TYR   B HD2  
2569 H HE1  . TYR   B 45  ? 0.46841  0.297813 0.469637 0.0127179   -0.00379772 0.0923985   57  TYR   B HE1  
2570 H HE2  . TYR   B 45  ? 0.505972 0.308011 0.508649 0.0635127   -0.055295   0.0770669   57  TYR   B HE2  
2572 N N    . LYS   B 46  ? 0.396639 0.22551  0.511154 -0.0209139  -0.00666511 0.0316641   58  LYS   B N    
2573 C CA   . LYS   B 46  ? 0.44385  0.270797 0.559927 -0.0361756  0.00602778  0.045801    58  LYS   B CA   
2574 C C    . LYS   B 46  ? 0.427873 0.290878 0.531954 -0.0380969  0.0103583   0.044602    58  LYS   B C    
2575 O O    . LYS   B 46  ? 0.412272 0.299245 0.520698 -0.0371633  0.00530898  0.0266089   58  LYS   B O    
2576 C CB   . LYS   B 46  ? 0.428421 0.24869  0.577594 -0.052942   0.00853858  0.0327264   58  LYS   B CB   
2577 H H    . LYS   B 46  ? 0.383097 0.229299 0.505259 -0.0219966  -0.00887686 0.0164841   58  LYS   B H    
2578 H HA   . LYS   B 46  ? 0.461716 0.268304 0.565259 -0.0331381  0.00961321  0.0635823   58  LYS   B HA   
2581 N N    . GLY   B 47  ? 0.431299 0.296656 0.516775 -0.0385203  0.0201166   0.0637266   59  GLY   B N    
2582 C CA   . GLY   B 47  ? 0.391798 0.288662 0.464851 -0.0375155  0.0240206   0.0621282   59  GLY   B CA   
2583 C C    . GLY   B 47  ? 0.397506 0.303086 0.475817 -0.0490136  0.040889    0.0756814   59  GLY   B C    
2584 O O    . GLY   B 47  ? 0.465155 0.347738 0.548917 -0.056765   0.051401    0.0918957   59  GLY   B O    
2585 H H    . GLY   B 47  ? 0.456623 0.30193  0.535477 -0.0385092  0.0250699   0.078433    59  GLY   B H    
2586 H HA2  . GLY   B 47  ? 0.370213 0.283759 0.453598 -0.0396202  0.0196485   0.0471525   59  GLY   B HA2  
2587 H HA3  . GLY   B 47  ? 0.394614 0.290672 0.445798 -0.0263913  0.0200528   0.0664904   59  GLY   B HA3  
2588 N N    . LYS   B 48  ? 0.397565 0.335796 0.477226 -0.0502009  0.0442046   0.0686063   60  LYS   B N    
2589 C CA   . LYS   B 48  ? 0.386253 0.343012 0.476049 -0.0591794  0.0605299   0.0776622   60  LYS   B CA   
2590 C C    . LYS   B 48  ? 0.389825 0.379063 0.469177 -0.0508086  0.0596714   0.0694069   60  LYS   B C    
2591 O O    . LYS   B 48  ? 0.318335 0.314505 0.387609 -0.0418577  0.0464828   0.0555131   60  LYS   B O    
2592 C CB   . LYS   B 48  ? 0.389842 0.355759 0.525394 -0.0791567  0.0653698   0.0698416   60  LYS   B CB   
2593 C CG   . LYS   B 48  ? 0.394    0.37933  0.55022  -0.0811968  0.0502028   0.0439625   60  LYS   B CG   
2594 C CD   . LYS   B 48  ? 0.39128  0.3893   0.593565 -0.100444   0.0534597   0.0348066   60  LYS   B CD   
2595 C CE   . LYS   B 48  ? 0.436518 0.446995 0.65973  -0.103505   0.0369392   0.00836932  60  LYS   B CE   
2596 N NZ   . LYS   B 48  ? 0.472753 0.502886 0.745069 -0.122447   0.0385324   -0.00263507 60  LYS   B NZ   
2597 H H    . LYS   B 48  ? 0.366895 0.316301 0.44184  -0.0446024  0.0362795   0.0575916   60  LYS   B H    
2598 H HA   . LYS   B 48  ? 0.421109 0.363875 0.494983 -0.0570548  0.0697148   0.0943473   60  LYS   B HA   
2599 H HB2  . LYS   B 48  ? 0.401309 0.383869 0.546901 -0.085074   0.0773429   0.0758198   60  LYS   B HB2  
2600 H HB3  . LYS   B 48  ? 0.417919 0.359407 0.560445 -0.0850885  0.0672499   0.0761396   60  LYS   B HB3  
2601 H HG2  . LYS   B 48  ? 0.382356 0.351509 0.531872 -0.0767749  0.0407884   0.0378052   60  LYS   B HG2  
2602 H HG3  . LYS   B 48  ? 0.366371 0.371852 0.51262  -0.0738224  0.0475185   0.0387957   60  LYS   B HG3  
2603 H HD2  . LYS   B 48  ? 0.404829 0.425213 0.616759 -0.1038     0.0623508   0.038712    60  LYS   B HD2  
2604 H HD3  . LYS   B 48  ? 0.429553 0.404982 0.640855 -0.108743   0.0596638   0.0438596   60  LYS   B HD3  
2605 H HE2  . LYS   B 48  ? 0.433146 0.421611 0.651311 -0.101742   0.0303319   0.00385646  60  LYS   B HE2  
2606 H HE3  . LYS   B 48  ? 0.408385 0.436136 0.617708 -0.0937791  0.0305221   0.0010634   60  LYS   B HE3  
2607 H HZ1  . LYS   B 48  ? 0.483648 0.494964 0.770428 -0.132905   0.0450288   0.00408409  60  LYS   B HZ1  
2608 H HZ2  . LYS   B 48  ? 0.45756  0.511165 0.737952 -0.12369    0.0451036   0.00086154  60  LYS   B HZ2  
2609 H HZ3  . LYS   B 48  ? 0.456643 0.494289 0.737327 -0.122082   0.0262633   -0.0202186  60  LYS   B HZ3  
2610 N N    . LEU   B 49  ? 0.355309 0.360547 0.432664 -0.0519024  0.0758137   0.0805174   61  LEU   B N    
2611 C CA   . LEU   B 49  ? 0.381643 0.420585 0.459394 -0.0451499  0.0765671   0.0709444   61  LEU   B CA   
2612 C C    . LEU   B 49  ? 0.361155 0.423173 0.478692 -0.0553831  0.0684394   0.052323    61  LEU   B C    
2613 O O    . LEU   B 49  ? 0.416697 0.476091 0.566959 -0.0711034  0.0699601   0.0498805   61  LEU   B O    
2614 C CB   . LEU   B 49  ? 0.380276 0.436298 0.454143 -0.0442546  0.0981797   0.0848895   61  LEU   B CB   
2615 C CG   . LEU   B 49  ? 0.438043 0.469827 0.46595  -0.0326105  0.10718     0.10425     61  LEU   B CG   
2616 C CD1  . LEU   B 49  ? 0.455489 0.508809 0.478326 -0.0308033  0.132455    0.116769    61  LEU   B CD1  
2617 C CD2  . LEU   B 49  ? 0.455978 0.477684 0.446711 -0.0139808  0.0894676   0.0954687   61  LEU   B CD2  
2618 H H    . LEU   B 49  ? 0.399667 0.39458  0.475201 -0.0561619  0.0872858   0.0944023   61  LEU   B H    
2619 H HA   . LEU   B 49  ? 0.359845 0.394584 0.414588 -0.0335946  0.0673119   0.0661837   61  LEU   B HA   
2620 H HB2  . LEU   B 49  ? 0.39944  0.462638 0.501774 -0.0577135  0.108378    0.0887007   61  LEU   B HB2  
2621 H HB3  . LEU   B 49  ? 0.377403 0.455586 0.451994 -0.0374789  0.0970127   0.0766573   61  LEU   B HB3  
2622 H HG   . LEU   B 49  ? 0.454482 0.46288  0.480912 -0.0381781  0.10854     0.114056    61  LEU   B HG   
2623 H HD11 . LEU   B 49  ? 0.46567  0.525957 0.516905 -0.0450082  0.145321    0.122895    61  LEU   B HD11 
2624 H HD12 . LEU   B 49  ? 0.483507 0.520241 0.471449 -0.0215338  0.137525    0.128636    61  LEU   B HD12 
2625 H HD13 . LEU   B 49  ? 0.441257 0.517769 0.467538 -0.0241363  0.130693    0.106218    61  LEU   B HD13 
2626 H HD21 . LEU   B 49  ? 0.439973 0.445304 0.431057 -0.0149412  0.0772996   0.0916388   61  LEU   B HD21 
2627 H HD22 . LEU   B 49  ? 0.427181 0.467045 0.423651 -0.0101089  0.0850334   0.083835    61  LEU   B HD22 
2628 H HD23 . LEU   B 49  ? 0.469375 0.482417 0.430219 -0.00438527 0.0944541   0.104686    61  LEU   B HD23 
2629 N N    . SER   B 50  ? 0.336082 0.418398 0.449098 -0.0454186  0.0583876   0.0384484   62  SER   B N    
2630 C CA   . SER   B 50  ? 0.356542 0.46031  0.499195 -0.0507577  0.0477246   0.0204942   62  SER   B CA   
2631 C C    . SER   B 50  ? 0.375475 0.509785 0.562884 -0.0641074  0.0582854   0.0193171   62  SER   B C    
2632 O O    . SER   B 50  ? 0.502094 0.647117 0.722528 -0.0748018  0.049476    0.00525689  62  SER   B O    
2633 C CB   . SER   B 50  ? 0.319987 0.435382 0.443536 -0.0350407  0.0357283   0.00930949  62  SER   B CB   
2634 O OG   . SER   B 50  ? 0.454434 0.589229 0.571932 -0.025357   0.045255    0.0148498   62  SER   B OG   
2635 H H    . SER   B 50  ? 0.342861 0.424104 0.432519 -0.0343415  0.0573783   0.0399957   62  SER   B H    
2636 H HA   . SER   B 50  ? 0.348036 0.436953 0.49542  -0.0562726  0.0407301   0.0155222   62  SER   B HA   
2637 H HB2  . SER   B 50  ? 0.346126 0.474492 0.485538 -0.0369215  0.0273931   -0.00223397 62  SER   B HB2  
2638 H HB3  . SER   B 50  ? 0.34949  0.445596 0.449185 -0.0291737  0.0304941   0.00997451  62  SER   B HB3  
2640 N N    . ASN   B 51  ? 0.427404 0.576813 0.616553 -0.0632047  0.0770515   0.0323784   63  ASN   B N    
2641 C CA   . ASN   B 51  ? 0.486488 0.668318 0.721089 -0.076932   0.0939618   0.0348526   63  ASN   B CA   
2642 C C    . ASN   B 51  ? 0.534639 0.695529 0.793653 -0.0995039  0.107373    0.0470943   63  ASN   B C    
2643 O O    . ASN   B 51  ? 0.53788  0.718135 0.829559 -0.112966   0.128399    0.0559732   63  ASN   B O    
2644 C CB   . ASN   B 51  ? 0.393275 0.594471 0.613692 -0.0662363  0.114305    0.0472093   63  ASN   B CB   
2645 H H    . ASN   B 51  ? 0.429524 0.569124 0.588798 -0.0527403  0.0804052   0.0400098   63  ASN   B H    
2646 H HA   . ASN   B 51  ? 0.446886 0.653473 0.708438 -0.07848    0.0845614   0.0199487   63  ASN   B HA   
2649 N N    . GLY   B 52  ? 0.652043 0.773549 0.898661 -0.103935   0.0964196   0.0472456   64  GLY   B N    
2650 C CA   . GLY   B 52  ? 0.562633 0.653228 0.826329 -0.122503   0.107006    0.0597798   64  GLY   B CA   
2651 C C    . GLY   B 52  ? 0.649902 0.72421  0.896281 -0.125589   0.134528    0.089466    64  GLY   B C    
2652 O O    . GLY   B 52  ? 0.823953 0.877717 1.09357  -0.144206   0.148197    0.101742    64  GLY   B O    
2653 H H    . GLY   B 52  ? 0.578213 0.690707 0.80514  -0.0944235  0.0820315   0.0391169   64  GLY   B H    
2654 H HA2  . GLY   B 52  ? 0.599981 0.663203 0.84677  -0.118924   0.0957663   0.0575966   64  GLY   B HA2  
2655 H HA3  . GLY   B 52  ? 0.60029  0.705499 0.905101 -0.13693    0.106458    0.0499363   64  GLY   B HA3  
2656 N N    . LYS   B 53  ? 0.680775 0.76037  0.885306 -0.108042   0.144143    0.101939    65  LYS   B N    
2657 C CA   . LYS   B 53  ? 0.712547 0.788713 0.907386 -0.112452   0.174642    0.127964    65  LYS   B CA   
2658 C C    . LYS   B 53  ? 0.761788 0.783667 0.907135 -0.105801   0.178581    0.152103    65  LYS   B C    
2659 O O    . LYS   B 53  ? 0.831549 0.83577  0.971864 -0.11485    0.203936    0.177166    65  LYS   B O    
2660 C CB   . LYS   B 53  ? 0.719036 0.839055 0.90851  -0.100086   0.187404    0.125787    65  LYS   B CB   
2661 H H    . LYS   B 53  ? 0.651902 0.735675 0.832958 -0.0935234  0.132713    0.0945281   65  LYS   B H    
2662 H HA   . LYS   B 53  ? 0.729849 0.813621 0.964767 -0.131009   0.185766    0.129726    65  LYS   B HA   
2665 N N    . LYS   B 54  ? 0.712919 0.707357 0.824049 -0.0904129  0.154048    0.145375    66  LYS   B N    
2666 C CA   . LYS   B 54  ? 0.654455 0.600535 0.720818 -0.0798879  0.151003    0.164049    66  LYS   B CA   
2667 C C    . LYS   B 54  ? 0.674392 0.600674 0.750324 -0.0784338  0.124247    0.146943    66  LYS   B C    
2668 O O    . LYS   B 54  ? 0.59169  0.541961 0.675764 -0.0729228  0.107311    0.124029    66  LYS   B O    
2669 C CB   . LYS   B 54  ? 0.650167 0.592993 0.656095 -0.0544277  0.148381    0.171372    66  LYS   B CB   
2670 H H    . LYS   B 54  ? 0.66737  0.675285 0.784313 -0.0856111  0.138325    0.128009    66  LYS   B H    
2671 H HA   . LYS   B 54  ? 0.711173 0.639309 0.782648 -0.0900634  0.166852    0.1812      66  LYS   B HA   
2674 N N    A PHE   B 55  ? 0.64113  0.523296 0.709101 -0.0797396  0.122003    0.159732    67  PHE   B N    
2675 N N    B PHE   B 55  ? 0.681327 0.566429 0.76132  -0.084863   0.12333     0.157482    67  PHE   B N    
2676 C CA   A PHE   B 55  ? 0.636473 0.49696  0.720297 -0.0801259  0.10132     0.14481     67  PHE   B CA   
2677 C CA   B PHE   B 55  ? 0.719187 0.580855 0.804747 -0.0804404  0.100558    0.143384    67  PHE   B CA   
2678 C C    A PHE   B 55  ? 0.645788 0.461176 0.693995 -0.0641515  0.0922546   0.159193    67  PHE   B C    
2679 C C    B PHE   B 55  ? 0.708679 0.536321 0.745037 -0.0585097  0.091566    0.158035    67  PHE   B C    
2680 O O    A PHE   B 55  ? 0.628369 0.408476 0.666073 -0.0678813  0.105767    0.183535    67  PHE   B O    
2681 O O    B PHE   B 55  ? 0.732001 0.547319 0.73071  -0.049781   0.104027    0.181104    67  PHE   B O    
2682 C CB   A PHE   B 55  ? 0.581814 0.426885 0.712306 -0.103396   0.108076    0.143167    67  PHE   B CB   
2683 C CB   B PHE   B 55  ? 0.691174 0.532662 0.821647 -0.101925   0.104028    0.140374    67  PHE   B CB   
2684 C CG   A PHE   B 55  ? 0.571174 0.458334 0.749652 -0.122708   0.115063    0.127321    67  PHE   B CG   
2685 C CG   B PHE   B 55  ? 0.720468 0.566056 0.88286  -0.106194   0.0835423   0.110651    67  PHE   B CG   
2686 C CD1  A PHE   B 55  ? 0.568544 0.474562 0.763537 -0.136401   0.140361    0.142107    67  PHE   B CD1  
2687 C CD1  B PHE   B 55  ? 0.699505 0.579483 0.903418 -0.121111   0.0811417   0.0885284   67  PHE   B CD1  
2688 C CD2  A PHE   B 55  ? 0.546256 0.453222 0.755796 -0.127219   0.0965205   0.0972929   67  PHE   B CD2  
2689 C CD2  B PHE   B 55  ? 0.782442 0.599111 0.933264 -0.0936836  0.0663494   0.10338     67  PHE   B CD2  
2690 C CE1  A PHE   B 55  ? 0.544582 0.493051 0.791075 -0.153434   0.144316    0.125196    67  PHE   B CE1  
2691 C CE1  B PHE   B 55  ? 0.677361 0.560271 0.902334 -0.122461   0.062454    0.0608683   67  PHE   B CE1  
2692 C CE2  A PHE   B 55  ? 0.535936 0.481656 0.790316 -0.143038   0.0991002   0.0812964   67  PHE   B CE2  
2693 C CE2  B PHE   B 55  ? 0.788518 0.609841 0.965028 -0.0963339  0.0507431   0.0758092   67  PHE   B CE2  
2694 C CZ   A PHE   B 55  ? 0.515342 0.484158 0.790371 -0.15562    0.121772    0.0944027   67  PHE   B CZ   
2695 C CZ   B PHE   B 55  ? 0.704665 0.557591 0.914884 -0.11053    0.0489573   0.0548981   67  PHE   B CZ   
2696 H H    A PHE   B 55  ? 0.693795 0.557194 0.743659 -0.0791111  0.134877    0.179505    67  PHE   B H    
2697 H H    B PHE   B 55  ? 0.730787 0.600706 0.809936 -0.091967   0.139064    0.175009    67  PHE   B H    
2698 H HA   A PHE   B 55  ? 0.580918 0.461516 0.670488 -0.0755936  0.088042    0.12587     67  PHE   B HA   
2699 H HA   B PHE   B 55  ? 0.656456 0.540377 0.74888  -0.0766537  0.0883266   0.124484    67  PHE   B HA   
2700 H HB2  A PHE   B 55  ? 0.639926 0.459621 0.762609 -0.107653   0.12161     0.163783    67  PHE   B HB2  
2701 H HB2  B PHE   B 55  ? 0.718301 0.575643 0.871618 -0.11619    0.118465    0.143761    67  PHE   B HB2  
2702 H HB3  A PHE   B 55  ? 0.594865 0.424979 0.732563 -0.101102   0.0937702   0.131633    67  PHE   B HB3  
2703 H HB3  B PHE   B 55  ? 0.750603 0.556935 0.867306 -0.0999822  0.107907    0.156634    67  PHE   B HB3  
2704 H HD1  A PHE   B 55  ? 0.602471 0.494167 0.772932 -0.132893   0.154877    0.163372    67  PHE   B HD1  
2705 H HD1  B PHE   B 55  ? 0.693886 0.597307 0.910413 -0.128847   0.0918564   0.0915086   67  PHE   B HD1  
2706 H HD2  A PHE   B 55  ? 0.535105 0.430376 0.734472 -0.118406   0.0818908   0.0873283   67  PHE   B HD2  
2707 H HD2  B PHE   B 55  ? 0.793468 0.587867 0.918188 -0.0820957  0.0652715   0.116801    67  PHE   B HD2  
2708 H HE1  A PHE   B 55  ? 0.560273 0.525672 0.821218 -0.162288   0.162544    0.134578    67  PHE   B HE1  
2709 H HE1  B PHE   B 55  ? 0.66846  0.574807 0.918273 -0.130959   0.0593374   0.0457471   67  PHE   B HE1  
2710 H HE2  A PHE   B 55  ? 0.504422 0.463308 0.774178 -0.143613   0.0850432   0.0607676   67  PHE   B HE2  
2711 H HE2  B PHE   B 55  ? 0.767785 0.571506 0.93724  -0.0868175  0.0408109   0.070721    67  PHE   B HE2  
2712 H HZ   A PHE   B 55  ? 0.510155 0.508649 0.819984 -0.165811   0.122248    0.0820571   67  PHE   B HZ   
2713 H HZ   B PHE   B 55  ? 0.702148 0.557405 0.924608 -0.110614   0.0380764   0.0359278   67  PHE   B HZ   
2714 N N    . ASP   B 56  ? 0.634061 0.449927 0.670402 -0.0479608  0.0693981   0.143041    68  ASP   B N    
2715 C CA   . ASP   B 56  ? 0.64479  0.43023  0.645767 -0.0269517  0.0563307   0.152664    68  ASP   B CA   
2716 C C    . ASP   B 56  ? 0.674255 0.451106 0.697355 -0.0224493  0.0365427   0.132386    68  ASP   B C    
2717 O O    . ASP   B 56  ? 0.562976 0.366485 0.610823 -0.0275491  0.0291036   0.10832     68  ASP   B O    
2718 C CB   . ASP   B 56  ? 0.662772 0.466015 0.624737 -0.00724012 0.0473346   0.151224    68  ASP   B CB   
2719 C CG   . ASP   B 56  ? 0.722372 0.504829 0.654705 0.0163136   0.0268885   0.153009    68  ASP   B CG   
2720 O OD1  . ASP   B 56  ? 0.772634 0.520004 0.674561 0.0272397   0.028308    0.175515    68  ASP   B OD1  
2721 O OD2  . ASP   B 56  ? 0.620515 0.422019 0.559725 0.024687    0.00927477  0.132372    68  ASP   B OD2  
2722 H H    A ASP   B 56  ? 0.592881 0.430303 0.645202 -0.0499595  0.0616925   0.124956    68  ASP   B H    
2723 H H    B ASP   B 56  ? 0.616061 0.445199 0.676209 -0.0533914  0.0620373   0.12539     68  ASP   B H    
2724 H HA   . ASP   B 56  ? 0.70275  0.460287 0.691317 -0.0272103  0.0650889   0.17217     68  ASP   B HA   
2725 H HB2  . ASP   B 56  ? 0.68235  0.487862 0.624921 -0.00715194 0.0602431   0.164868    68  ASP   B HB2  
2726 H HB3  . ASP   B 56  ? 0.625789 0.455507 0.601067 -0.00952237 0.0421993   0.134097    68  ASP   B HB3  
2727 N N    . SER   B 57  ? 0.700773 0.438082 0.712703 -0.0111767  0.0290534   0.143316    69  SER   B N    
2728 C CA   . SER   B 57  ? 0.729759 0.455977 0.765461 -0.00558931 0.0127771   0.124778    69  SER   B CA   
2729 C C    . SER   B 57  ? 0.737827 0.437455 0.747422 0.0198666   -0.00328336 0.133579    69  SER   B C    
2730 O O    . SER   B 57  ? 0.818068 0.485328 0.794177 0.0294643   0.00039416  0.160054    69  SER   B O    
2731 C CB   . SER   B 57  ? 0.814296 0.514592 0.883826 -0.0224694  0.0195302   0.122283    69  SER   B CB   
2732 O OG   . SER   B 57  ? 0.806381 0.490384 0.889179 -0.00988957 0.00295317  0.106573    69  SER   B OG   
2733 H H    . SER   B 57  ? 0.747505 0.463883 0.7353   -0.00544629 0.0343123   0.162705    69  SER   B H    
2734 H HA   . SER   B 57  ? 0.686995 0.441319 0.734541 -0.00586209 0.00649576  0.105856    69  SER   B HA   
2735 H HB2  . SER   B 57  ? 0.770625 0.492718 0.861741 -0.036792   0.024697    0.110333    69  SER   B HB2  
2736 H HB3  . SER   B 57  ? 0.834782 0.50781  0.89532  -0.0262563  0.0293506   0.142328    69  SER   B HB3  
2738 N N    . SER   B 58  ? 0.647816 0.362142 0.673966 0.0313066   -0.0206866  0.110858    70  SER   B N    
2739 C CA   . SER   B 58  ? 0.691608 0.383185 0.709907 0.0551792   -0.0387399  0.112314    70  SER   B CA   
2740 C C    . SER   B 58  ? 0.827556 0.463927 0.84421  0.056852    -0.0352613  0.130699    70  SER   B C    
2741 O O    . SER   B 58  ? 0.900079 0.503111 0.885943 0.076903    -0.0435685  0.150899    70  SER   B O    
2742 C CB   . SER   B 58  ? 0.623267 0.341987 0.673308 0.0621189   -0.0522901  0.0823654   70  SER   B CB   
2743 O OG   . SER   B 58  ? 0.595928 0.317507 0.680004 0.0464831   -0.0448696  0.0645695   70  SER   B OG   
2744 H H    . SER   B 58  ? 0.629693 0.369989 0.673145 0.0247053   -0.0210242  0.0938992   70  SER   B H    
2745 H HA   . SER   B 58  ? 0.707378 0.401289 0.698475 0.0672674   -0.0444103  0.121749    70  SER   B HA   
2746 H HB2  . SER   B 58  ? 0.649193 0.354308 0.698408 0.0786892   -0.0644181  0.0825505   70  SER   B HB2  
2747 H HB3  . SER   B 58  ? 0.59829  0.346983 0.645769 0.0623193   -0.0546081  0.0741637   70  SER   B HB3  
2749 N N    . HIS   B 59  ? 0.769636 0.393544 0.818006 0.0366147   -0.0242168  0.123505    71  HIS   B N    
2750 C CA   . HIS   B 59  ? 0.804023 0.371089 0.858413 0.0353087   -0.02087    0.137342    71  HIS   B CA   
2751 C C    . HIS   B 59  ? 0.855398 0.381013 0.870231 0.0371204   -0.00875761 0.176535    71  HIS   B C    
2752 O O    . HIS   B 59  ? 0.882301 0.355859 0.882453 0.0509821   -0.0135781  0.19411     71  HIS   B O    
2753 C CB   . HIS   B 59  ? 0.775765 0.341249 0.872511 0.00965951  -0.0110908  0.119915    71  HIS   B CB   
2754 C CG   . HIS   B 59  ? 0.722741 0.322624 0.848571 0.0124869   -0.0226665  0.0832762   71  HIS   B CG   
2755 N ND1  . HIS   B 59  ? 0.77659  0.366577 0.910914 0.0344689   -0.0387957  0.0683014   71  HIS   B ND1  
2756 C CD2  . HIS   B 59  ? 0.691339 0.337253 0.834807 -0.00070051 -0.0198439  0.0602077   71  HIS   B CD2  
2757 C CE1  . HIS   B 59  ? 0.722253 0.350279 0.879761 0.0321239   -0.042245   0.0372417   71  HIS   B CE1  
2758 N NE2  . HIS   B 59  ? 0.716632 0.376273 0.876713 0.0114854   -0.0315557  0.0331773   71  HIS   B NE2  
2759 H H    . HIS   B 59  ? 0.740514 0.390311 0.807019 0.0235921   -0.0194415  0.109172    71  HIS   B H    
2760 H HA   . HIS   B 59  ? 0.814877 0.370254 0.872254 0.0526037   -0.0348597  0.130247    71  HIS   B HA   
2761 H HB2  . HIS   B 59  ? 0.764725 0.346124 0.863467 -0.00727341 0.00161086  0.124715    71  HIS   B HB2  
2762 H HB3  . HIS   B 59  ? 0.8198   0.34458  0.922303 0.00838336  -0.00946396 0.128041    71  HIS   B HB3  
2764 H HD2  . HIS   B 59  ? 0.678273 0.342563 0.82279  -0.0148444  -0.0110404  0.062195    71  HIS   B HD2  
2765 H HE1  . HIS   B 59  ? 0.726906 0.359152 0.895916 0.0443685   -0.0504424  0.0213589   71  HIS   B HE1  
2767 N N    . ASP   B 60  ? 0.893409 0.442464 0.886698 0.0265157   0.00674162  0.190472    72  ASP   B N    
2768 C CA   . ASP   B 60  ? 1.06185  0.579851 1.00905  0.0302547   0.0215828   0.228074    72  ASP   B CA   
2769 C C    . ASP   B 60  ? 1.03744  0.521895 0.93883  0.0647418   0.00257864  0.244403    72  ASP   B C    
2770 O O    . ASP   B 60  ? 1.06956  0.501854 0.936213 0.0722253   0.0106551   0.276812    72  ASP   B O    
2771 C CB   . ASP   B 60  ? 1.09671  0.658279 1.02266  0.0237375   0.0347265   0.232225    72  ASP   B CB   
2772 C CG   . ASP   B 60  ? 1.07143  0.668914 1.03568  -0.0071017  0.0546181   0.221104    72  ASP   B CG   
2773 O OD1  . ASP   B 60  ? 1.15894  0.737728 1.1605   -0.0293122  0.0664608   0.221134    72  ASP   B OD1  
2774 O OD2  . ASP   B 60  ? 0.941404 0.585256 0.900156 -0.00823623 0.0566539   0.210837    72  ASP   B OD2  
2775 H H    . ASP   B 60  ? 0.859536 0.445445 0.866095 0.0172477   0.00906487  0.175966    72  ASP   B H    
2776 H HA   . ASP   B 60  ? 1.06623  0.555388 1.02418  0.0155882   0.0359433   0.240778    72  ASP   B HA   
2777 H HB2  . ASP   B 60  ? 1.05444  0.642591 0.97226  0.0368318   0.0201242   0.21834     72  ASP   B HB2  
2778 H HB3  . ASP   B 60  ? 1.12887  0.668993 1.01945  0.0295193   0.0442791   0.256959    72  ASP   B HB3  
2779 N N    . ARG   B 61  ? 1.01024  0.526413 0.911353 0.0862542   -0.0229207  0.221971    73  ARG   B N    
2780 C CA   . ARG   B 61  ? 1.03147  0.529856 0.892336 0.121021    -0.0458113  0.23175     73  ARG   B CA   
2781 C C    . ARG   B 61  ? 1.06496  0.53478  0.951625 0.137917    -0.0655106  0.220957    73  ARG   B C    
2782 O O    . ARG   B 61  ? 1.06551  0.522629 0.929487 0.169495    -0.0891401  0.224148    73  ARG   B O    
2783 C CB   . ARG   B 61  ? 0.965251 0.516978 0.810546 0.131163    -0.0585189  0.215895    73  ARG   B CB   
2784 H H    . ARG   B 61  ? 0.951606 0.502667 0.879509 0.0789246   -0.0263383  0.199459    73  ARG   B H    
2785 H HA   . ARG   B 61  ? 1.08659  0.552577 0.910371 0.125659    -0.0370338  0.25884     73  ARG   B HA   
2788 N N    . ASN   B 62  ? 0.990336 0.448306 0.923427 0.118163    -0.0561865  0.207943    74  ASN   B N    
2789 C CA   . ASN   B 62  ? 0.96249  0.388351 0.92329  0.131275    -0.0701844  0.196401    74  ASN   B CA   
2790 C C    . ASN   B 62  ? 0.905452 0.37011  0.886115 0.156764    -0.0973214  0.166758    74  ASN   B C    
2791 O O    . ASN   B 62  ? 0.948977 0.385883 0.937278 0.180811    -0.11447    0.163356    74  ASN   B O    
2792 C CB   . ASN   B 62  ? 0.989582 0.33766  0.918952 0.141289    -0.0659739  0.232027    74  ASN   B CB   
2793 H H    . ASN   B 62  ? 0.967153 0.438783 0.915673 0.0958738   -0.0407717  0.204622    74  ASN   B H    
2794 H HA   . ASN   B 62  ? 0.929206 0.36021  0.922958 0.112091    -0.061      0.182323    74  ASN   B HA   
2797 N N    . GLU   B 63  ? 0.892195 0.421483 0.887902 0.150985    -0.100497   0.143126    75  GLU   B N    
2798 C CA   . GLU   B 63  ? 0.852347 0.421359 0.870833 0.172728    -0.123474   0.116469    75  GLU   B CA   
2799 C C    . GLU   B 63  ? 0.762066 0.394746 0.80514  0.154553    -0.117105   0.0911526   75  GLU   B C    
2800 O O    . GLU   B 63  ? 0.71933  0.366888 0.746398 0.134289    -0.101812   0.098771    75  GLU   B O    
2801 C CB   . GLU   B 63  ? 0.922418 0.489015 0.903312 0.20348     -0.146169   0.12959     75  GLU   B CB   
2802 C CG   . GLU   B 63  ? 0.9653   0.556753 0.908612 0.194934    -0.140141   0.140402    75  GLU   B CG   
2803 C CD   . GLU   B 63  ? 1.03853  0.627108 0.930552 0.221339    -0.15951    0.155217    75  GLU   B CD   
2804 O OE1  . GLU   B 63  ? 0.989514 0.60598  0.85817  0.212605    -0.15413    0.155756    75  GLU   B OE1  
2805 O OE2  . GLU   B 63  ? 1.07874  0.638351 0.952275 0.25211     -0.181343   0.164474    75  GLU   B OE2  
2806 H H    . GLU   B 63  ? 0.848731 0.397094 0.842284 0.132958    -0.0875541  0.143824    75  GLU   B H    
2807 H HA   . GLU   B 63  ? 0.86463  0.421854 0.908078 0.179953    -0.128824   0.105041    75  GLU   B HA   
2808 H HB2  . GLU   B 63  ? 0.909613 0.501722 0.913446 0.217699    -0.16209    0.110481    75  GLU   B HB2  
2809 H HB3  . GLU   B 63  ? 0.981557 0.504196 0.939603 0.216184    -0.149634   0.149196    75  GLU   B HB3  
2810 H HG2  . GLU   B 63  ? 0.965378 0.538866 0.894914 0.177788    -0.121159   0.155711    75  GLU   B HG2  
2811 H HG3  . GLU   B 63  ? 0.903528 0.536018 0.870796 0.184144    -0.138446   0.12043     75  GLU   B HG3  
2812 N N    . PRO   B 64  ? 0.703027 0.375869 0.785547 0.161024    -0.126722   0.0609283   76  PRO   B N    
2813 C CA   . PRO   B 64  ? 0.649739 0.376717 0.749825 0.143628    -0.118717   0.0413509   76  PRO   B CA   
2814 C C    . PRO   B 64  ? 0.619303 0.369892 0.691289 0.146245    -0.125383   0.0488645   76  PRO   B C    
2815 O O    . PRO   B 64  ? 0.64199  0.379039 0.687542 0.167915    -0.142728   0.0612131   76  PRO   B O    
2816 C CB   . PRO   B 64  ? 0.616618 0.376961 0.762768 0.152506    -0.125823   0.0109624   76  PRO   B CB   
2817 C CG   . PRO   B 64  ? 0.665544 0.391497 0.820588 0.177793    -0.140322   0.0123679   76  PRO   B CG   
2818 C CD   . PRO   B 64  ? 0.726956 0.395383 0.838795 0.185057    -0.143298   0.0451939   76  PRO   B CD   
2819 H HA   . PRO   B 64  ? 0.627287 0.352361 0.729247 0.124596    -0.103543   0.0417547   76  PRO   B HA   
2820 H HB2  . PRO   B 64  ? 0.598412 0.389661 0.751109 0.157333    -0.13343    0.00271042  76  PRO   B HB2  
2821 H HB3  . PRO   B 64  ? 0.592577 0.363625 0.755131 0.138081    -0.113338   -0.00071339 76  PRO   B HB3  
2822 H HG2  . PRO   B 64  ? 0.665191 0.41124  0.833804 0.194724    -0.154746   0.00295531  76  PRO   B HG2  
2823 H HG3  . PRO   B 64  ? 0.662592 0.382898 0.838845 0.173846    -0.133493   0.00058197  76  PRO   B HG3  
2824 H HD2  . PRO   B 64  ? 0.751652 0.414723 0.850162 0.205537    -0.159546   0.0520984   76  PRO   B HD2  
2825 H HD3  . PRO   B 64  ? 0.75068  0.386325 0.867715 0.184543    -0.138954   0.0482386   76  PRO   B HD3  
2826 N N    . PHE   B 65  ? 0.563756 0.347352 0.640083 0.125432    -0.112455   0.0401195   77  PHE   B N    
2827 C CA   . PHE   B 65  ? 0.537286 0.346471 0.592421 0.123837    -0.11615    0.041351    77  PHE   B CA   
2828 C C    . PHE   B 65  ? 0.51012  0.36216  0.600423 0.129295    -0.128352   0.0152757   77  PHE   B C    
2829 O O    . PHE   B 65  ? 0.429312 0.303754 0.556384 0.11896     -0.119206   -0.00346962 77  PHE   B O    
2830 C CB   . PHE   B 65  ? 0.531037 0.348313 0.572885 0.0998291   -0.0953868  0.0468664   77  PHE   B CB   
2831 C CG   . PHE   B 65  ? 0.528134 0.366489 0.545895 0.100764    -0.0997849  0.047342    77  PHE   B CG   
2832 C CD1  . PHE   B 65  ? 0.600595 0.41996  0.573377 0.112939    -0.105382   0.0665911   77  PHE   B CD1  
2833 C CD2  . PHE   B 65  ? 0.5144   0.388931 0.553161 0.0907087   -0.0982987  0.0277564   77  PHE   B CD2  
2834 C CE1  . PHE   B 65  ? 0.6428   0.480256 0.591856 0.115321    -0.110359   0.0636332   77  PHE   B CE1  
2835 C CE2  . PHE   B 65  ? 0.521375 0.41103  0.54002  0.0917634   -0.103597   0.025855    77  PHE   B CE2  
2836 C CZ   . PHE   B 65  ? 0.564476 0.436609 0.538879 0.104498    -0.110556   0.0420167   77  PHE   B CZ   
2837 H H    . PHE   B 65  ? 0.542816 0.332096 0.635792 0.111951    -0.10105    0.0320593   77  PHE   B H    
2838 H HA   . PHE   B 65  ? 0.578599 0.370719 0.605489 0.137001    -0.125447   0.0552494   77  PHE   B HA   
2839 H HB2  . PHE   B 65  ? 0.550064 0.342255 0.575593 0.0954997   -0.0866807  0.0627546   77  PHE   B HB2  
2840 H HB3  . PHE   B 65  ? 0.498476 0.331623 0.564372 0.0883566   -0.0875109  0.03358     77  PHE   B HB3  
2841 H HD1  . PHE   B 65  ? 0.637304 0.429105 0.593042 0.119625    -0.10467    0.0822564   77  PHE   B HD1  
2842 H HD2  . PHE   B 65  ? 0.486923 0.373785 0.552519 0.0833554   -0.0931584  0.0157059   77  PHE   B HD2  
2843 H HE1  . PHE   B 65  ? 0.653799 0.478005 0.568391 0.12504     -0.113685   0.076146    77  PHE   B HE1  
2844 H HE2  . PHE   B 65  ? 0.493091 0.40335  0.526568 0.0840809   -0.101822   0.0134438   77  PHE   B HE2  
2845 H HZ   . PHE   B 65  ? 0.569347 0.451053 0.528899 0.10621     -0.114752   0.0387277   77  PHE   B HZ   
2846 N N    . VAL   B 66  ? 0.532996 0.394517 0.611801 0.147477    -0.149907   0.0142111   78  VAL   B N    
2847 C CA   . VAL   B 66  ? 0.518745 0.420084 0.638151 0.155323    -0.165372   -0.0107104  78  VAL   B CA   
2848 C C    . VAL   B 66  ? 0.493821 0.417948 0.599288 0.149096    -0.17084    -0.0158354  78  VAL   B C    
2849 O O    . VAL   B 66  ? 0.525823 0.430309 0.58373  0.156465    -0.177222   0.00013756  78  VAL   B O    
2850 C CB   . VAL   B 66  ? 0.577073 0.473352 0.70768  0.185228    -0.191725   -0.0141353  78  VAL   B CB   
2851 C CG1  . VAL   B 66  ? 0.576357 0.521941 0.755756 0.191854    -0.208526   -0.0419877  78  VAL   B CG1  
2852 C CG2  . VAL   B 66  ? 0.557167 0.427688 0.704878 0.191531    -0.185164   -0.0116094  78  VAL   B CG2  
2853 H H    . VAL   B 66  ? 0.560891 0.404557 0.606472 0.154984    -0.154947   0.0287554   78  VAL   B H    
2854 H HA   . VAL   B 66  ? 0.490405 0.40789  0.640051 0.144628    -0.154286   -0.0229826  78  VAL   B HA   
2855 H HB   . VAL   B 66  ? 0.603553 0.479394 0.697631 0.197214    -0.202474   0.00026658  78  VAL   B HB   
2856 H HG11 . VAL   B 66  ? 0.535769 0.503115 0.745169 0.176431    -0.194073   -0.0543078  78  VAL   B HG11 
2857 H HG12 . VAL   B 66  ? 0.572538 0.527712 0.737809 0.193109    -0.218853   -0.0431954  78  VAL   B HG12 
2858 H HG13 . VAL   B 66  ? 0.589389 0.535184 0.784925 0.210552    -0.223304   -0.0467598  78  VAL   B HG13 
2859 H HG21 . VAL   B 66  ? 0.587331 0.45991  0.749735 0.211285    -0.201953   -0.0174865  78  VAL   B HG21 
2860 H HG22 . VAL   B 66  ? 0.590949 0.426813 0.707982 0.189976    -0.178506   0.00719227  78  VAL   B HG22 
2861 H HG23 . VAL   B 66  ? 0.536744 0.42295  0.711275 0.177879    -0.17098    -0.0235228  78  VAL   B HG23 
2862 N N    . PHE   B 67  ? 0.448666 0.410222 0.592281 0.134623    -0.165371   -0.0368508  79  PHE   B N    
2863 C CA   . PHE   B 67  ? 0.40367  0.384269 0.539274 0.127623    -0.171424   -0.0447063  79  PHE   B CA   
2864 C C    . PHE   B 67  ? 0.395844 0.418278 0.588985 0.118       -0.172226   -0.0706932  79  PHE   B C    
2865 O O    . PHE   B 67  ? 0.376997 0.415035 0.610487 0.112388    -0.160209   -0.080456   79  PHE   B O    
2866 C CB   . PHE   B 67  ? 0.396827 0.364719 0.49705  0.109735    -0.151786   -0.0325268  79  PHE   B CB   
2867 C CG   . PHE   B 67  ? 0.359375 0.33902  0.484039 0.0867654   -0.126583   -0.0383963  79  PHE   B CG   
2868 C CD1  . PHE   B 67  ? 0.402924 0.370143 0.533768 0.0816954   -0.111275   -0.0324386  79  PHE   B CD1  
2869 C CD2  . PHE   B 67  ? 0.364879 0.365394 0.505158 0.0713766   -0.119066   -0.050509   79  PHE   B CD2  
2870 C CE1  . PHE   B 67  ? 0.324368 0.301737 0.470899 0.0641366   -0.0909596  -0.0387143  79  PHE   B CE1  
2871 C CE2  . PHE   B 67  ? 0.345798 0.352328 0.498671 0.0536081   -0.0965436  -0.052805   79  PHE   B CE2  
2872 C CZ   . PHE   B 67  ? 0.337291 0.334788 0.493856 0.0511551   -0.0834627  -0.048208   79  PHE   B CZ   
2873 H H    . PHE   B 67  ? 0.423818 0.397661 0.597962 0.129016    -0.15716    -0.0464537  79  PHE   B H    
2874 H HA   . PHE   B 67  ? 0.443317 0.418332 0.559918 0.143111    -0.190104   -0.0422842  79  PHE   B HA   
2875 H HB2  . PHE   B 67  ? 0.398743 0.373861 0.48853  0.110065    -0.15966    -0.0372045  79  PHE   B HB2  
2876 H HB3  . PHE   B 67  ? 0.415414 0.359229 0.484902 0.114068    -0.148113   -0.0160049  79  PHE   B HB3  
2877 H HD1  . PHE   B 67  ? 0.398631 0.348322 0.521034 0.091167    -0.115566   -0.0241708  79  PHE   B HD1  
2878 H HD2  . PHE   B 67  ? 0.364227 0.371723 0.502042 0.0734759   -0.129622   -0.0562932  79  PHE   B HD2  
2879 H HE1  . PHE   B 67  ? 0.342922 0.311591 0.492529 0.061877    -0.0827316  -0.0366939  79  PHE   B HE1  
2880 H HE2  . PHE   B 67  ? 0.330231 0.34738  0.491281 0.0439487   -0.0912331  -0.0592544  79  PHE   B HE2  
2881 H HZ   . PHE   B 67  ? 0.314514 0.316368 0.476434 0.0407206   -0.0695926  -0.0507337  79  PHE   B HZ   
2882 N N    . SER   B 68  ? 0.42916  0.469604 0.62644  0.116545    -0.18653    -0.082899   80  SER   B N    
2883 C CA   . SER   B 68  ? 0.395166 0.473933 0.649386 0.10374     -0.185638   -0.106556   80  SER   B CA   
2884 C C    . SER   B 68  ? 0.331439 0.406843 0.576469 0.0781435   -0.160879   -0.103785   80  SER   B C    
2885 O O    . SER   B 68  ? 0.378238 0.434237 0.580373 0.0755932   -0.161032   -0.0944734  80  SER   B O    
2886 C CB   . SER   B 68  ? 0.418131 0.519906 0.692802 0.11609     -0.218219   -0.125692   80  SER   B CB   
2887 O OG   . SER   B 68  ? 0.518306 0.624938 0.803764 0.142928    -0.242732   -0.128785   80  SER   B OG   
2888 H H    . SER   B 68  ? 0.437625 0.465486 0.601964 0.123258    -0.196289   -0.0766168  80  SER   B H    
2889 H HA   . SER   B 68  ? 0.37994  0.471464 0.66656  0.10382     -0.178915   -0.112196   80  SER   B HA   
2890 H HB2  . SER   B 68  ? 0.448531 0.53624  0.687651 0.118356    -0.226119   -0.121174   80  SER   B HB2  
2891 H HB3  . SER   B 68  ? 0.4168   0.543743 0.732711 0.103641    -0.214499   -0.141032   80  SER   B HB3  
2893 N N    . LEU   B 69  ? 0.351024 0.444903 0.634622 0.0613224   -0.139358   -0.111769   81  LEU   B N    
2894 C CA   . LEU   B 69  ? 0.301871 0.386785 0.570531 0.0400981   -0.114625   -0.105498   81  LEU   B CA   
2895 C C    . LEU   B 69  ? 0.385892 0.479543 0.665522 0.0289058   -0.121065   -0.116826   81  LEU   B C    
2896 O O    . LEU   B 69  ? 0.355636 0.476283 0.682186 0.0274382   -0.132954   -0.135431   81  LEU   B O    
2897 C CB   . LEU   B 69  ? 0.314319 0.414359 0.615663 0.0292201   -0.0901273  -0.109933   81  LEU   B CB   
2898 C CG   . LEU   B 69  ? 0.393407 0.483398 0.677225 0.0096574   -0.0632586  -0.102489   81  LEU   B CG   
2899 C CD1  . LEU   B 69  ? 0.371612 0.433148 0.606369 0.0124976   -0.0567953  -0.0851383  81  LEU   B CD1  
2900 C CD2  . LEU   B 69  ? 0.434427 0.544189 0.752464 0.00097971  -0.0398011  -0.110027   81  LEU   B CD2  
2901 H H    . LEU   B 69  ? 0.329015 0.441264 0.647533 0.0641828   -0.139776   -0.121091   81  LEU   B H    
2902 H HA   . LEU   B 69  ? 0.33118  0.394067 0.561564 0.0417897   -0.110594   -0.0917898  81  LEU   B HA   
2903 H HB2  . LEU   B 69  ? 0.328151 0.421427 0.623659 0.0381051   -0.0892616  -0.105294   81  LEU   B HB2  
2904 H HB3  . LEU   B 69  ? 0.323953 0.448118 0.665709 0.0275779   -0.092664   -0.123361   81  LEU   B HB3  
2905 H HG   . LEU   B 69  ? 0.379826 0.469194 0.662542 0.00157288  -0.0645582  -0.104599   81  LEU   B HG   
2906 H HD11 . LEU   B 69  ? 0.383899 0.43328  0.595112 0.0179767   -0.0682798  -0.0791449  81  LEU   B HD11 
2907 H HD12 . LEU   B 69  ? 0.371657 0.428413 0.595806 0.00228269  -0.0418961  -0.0814457  81  LEU   B HD12 
2908 H HD13 . LEU   B 69  ? 0.378888 0.438954 0.616633 0.0194421   -0.0560427  -0.0840874  81  LEU   B HD13 
2909 H HD21 . LEU   B 69  ? 0.417379 0.549525 0.773644 -0.00036916 -0.042626   -0.12184    81  LEU   B HD21 
2910 H HD22 . LEU   B 69  ? 0.41738  0.523666 0.73103  0.00900142  -0.0378752  -0.108121   81  LEU   B HD22 
2911 H HD23 . LEU   B 69  ? 0.415322 0.518372 0.720652 -0.0104999  -0.0238686  -0.105232   81  LEU   B HD23 
2912 N N    . GLY   B 70  ? 0.412812 0.483353 0.650892 0.0221862   -0.115085   -0.106967   82  GLY   B N    
2913 C CA   . GLY   B 70  ? 0.433718 0.503317 0.675925 0.0107096   -0.118543   -0.116675   82  GLY   B CA   
2914 C C    . GLY   B 70  ? 0.525508 0.595358 0.757356 0.0248633   -0.150007   -0.127797   82  GLY   B C    
2915 O O    . GLY   B 70  ? 0.553373 0.629031 0.805714 0.0156073   -0.158418   -0.143722   82  GLY   B O    
2916 H H    . GLY   B 70  ? 0.407483 0.461607 0.614409 0.025227    -0.108703   -0.0941832  82  GLY   B H    
2917 H HA2  . GLY   B 70  ? 0.440517 0.49274  0.654621 0.00508975  -0.106959   -0.107215   82  GLY   B HA2  
2918 H HA3  . GLY   B 70  ? 0.435935 0.521373 0.716172 -0.00099867 -0.111098   -0.126195   82  GLY   B HA3  
2919 N N    . LYS   B 71  ? 0.501085 0.564462 0.70419  0.0470003   -0.16797    -0.121108   83  LYS   B N    
2920 C CA   . LYS   B 71  ? 0.568175 0.63501  0.761054 0.0646525   -0.200888   -0.133425   83  LYS   B CA   
2921 C C    . LYS   B 71  ? 0.575082 0.611965 0.698052 0.0756585   -0.204319   -0.120533   83  LYS   B C    
2922 O O    . LYS   B 71  ? 0.648123 0.679658 0.740189 0.0959032   -0.229564   -0.124491   83  LYS   B O    
2923 C CB   . LYS   B 71  ? 0.520999 0.606716 0.739667 0.0836392   -0.222192   -0.139761   83  LYS   B CB   
2924 H H    . LYS   B 71  ? 0.513899 0.568846 0.701483 0.0516575   -0.159745   -0.108368   83  LYS   B H    
2925 H HA   . LYS   B 71  ? 0.547044 0.625963 0.767606 0.0556594   -0.207264   -0.149672   83  LYS   B HA   
2928 N N    . GLY   B 72  ? 0.632484 0.651472 0.729805 0.0639112   -0.17825    -0.105209   84  GLY   B N    
2929 C CA   . GLY   B 72  ? 0.611557 0.606577 0.648171 0.0731327   -0.174792   -0.0915774  84  GLY   B CA   
2930 C C    . GLY   B 72  ? 0.588057 0.56996  0.58534  0.0918547   -0.177322   -0.071861   84  GLY   B C    
2931 O O    . GLY   B 72  ? 0.647904 0.614479 0.594847 0.105849    -0.182697   -0.0644759  84  GLY   B O    
2932 H H    . GLY   B 72  ? 0.581681 0.60495  0.700466 0.0504378   -0.161918   -0.10367    84  GLY   B H    
2933 H HA2  . GLY   B 72  ? 0.595727 0.584018 0.62733  0.0623327   -0.156221   -0.0844234  84  GLY   B HA2  
2934 H HA3  . GLY   B 72  ? 0.629691 0.622807 0.655013 0.0781085   -0.188753   -0.102795   84  GLY   B HA3  
2935 N N    . GLN   B 73  ? 0.497705 0.48322  0.516025 0.093223    -0.173015   -0.0633095  85  GLN   B N    
2936 C CA   . GLN   B 73  ? 0.504263 0.47124  0.48834  0.109826    -0.174683   -0.0430885  85  GLN   B CA   
2937 C C    . GLN   B 73  ? 0.506584 0.457097 0.470557 0.0994997   -0.146382   -0.0214147  85  GLN   B C    
2938 O O    . GLN   B 73  ? 0.493176 0.423409 0.418339 0.109674    -0.142365   -0.00196826 85  GLN   B O    
2939 C CB   . GLN   B 73  ? 0.522913 0.498256 0.540728 0.119133    -0.187108   -0.0465604  85  GLN   B CB   
2940 C CG   . GLN   B 73  ? 0.583992 0.577173 0.618205 0.135082    -0.220361   -0.0671356  85  GLN   B CG   
2941 C CD   . GLN   B 73  ? 0.596579 0.607281 0.678813 0.143136    -0.232185   -0.0760842  85  GLN   B CD   
2942 O OE1  . GLN   B 73  ? 0.535858 0.537516 0.627875 0.142468    -0.218268   -0.0641103  85  GLN   B OE1  
2943 N NE2  . GLN   B 73  ? 0.659369 0.695886 0.772791 0.152236    -0.259858   -0.0993683  85  GLN   B NE2  
2944 H H    . GLN   B 73  ? 0.490029 0.488347 0.544942 0.0835821   -0.168063   -0.0702041  85  GLN   B H    
2945 H HA   . GLN   B 73  ? 0.545307 0.503894 0.495715 0.123404    -0.187094   -0.0414556  85  GLN   B HA   
2946 H HB2  . GLN   B 73  ? 0.499006 0.485712 0.551884 0.106588    -0.175918   -0.0516907  85  GLN   B HB2  
2947 H HB3  . GLN   B 73  ? 0.545559 0.503441 0.540726 0.128115    -0.184819   -0.0308641  85  GLN   B HB3  
2948 H HG2  . GLN   B 73  ? 0.612911 0.592653 0.607735 0.151042    -0.233052   -0.0608945  85  GLN   B HG2  
2949 H HG3  . GLN   B 73  ? 0.566586 0.573773 0.61909  0.125342    -0.2227     -0.0822215  85  GLN   B HG3  
2950 H HE21 . GLN   B 73  ? 0.636182 0.688966 0.785314 0.156321    -0.267075   -0.108015   85  GLN   B HE21 
2951 H HE22 . GLN   B 73  ? 0.654057 0.692634 0.754379 0.154538    -0.271707   -0.107503   85  GLN   B HE22 
2952 N N    . VAL   B 74  ? 0.399635 0.358971 0.387906 0.0792914   -0.126976   -0.0252564  86  VAL   B N    
2953 C CA   . VAL   B 74  ? 0.414441 0.364612 0.391812 0.0684323   -0.103124   -0.0100412  86  VAL   B CA   
2954 C C    . VAL   B 74  ? 0.367524 0.323128 0.34127  0.0568704   -0.0923236  -0.0158949  86  VAL   B C    
2955 O O    . VAL   B 74  ? 0.35919  0.322054 0.342652 0.055186    -0.101451   -0.0308404  86  VAL   B O    
2956 C CB   . VAL   B 74  ? 0.385292 0.339873 0.398181 0.0595045   -0.0937024  -0.0103854  86  VAL   B CB   
2957 C CG1  . VAL   B 74  ? 0.418415 0.360458 0.431134 0.0729152   -0.103007   -0.00211281 86  VAL   B CG1  
2958 C CG2  . VAL   B 74  ? 0.400056 0.375861 0.455383 0.0494658   -0.0940424  -0.0295181  86  VAL   B CG2  
2959 H H    . VAL   B 74  ? 0.408117 0.380095 0.421297 0.072374    -0.129543   -0.0384356  86  VAL   B H    
2960 H HA   . VAL   B 74  ? 0.422465 0.359838 0.372023 0.075549    -0.101005   0.00308705  86  VAL   B HA   
2961 H HB   . VAL   B 74  ? 0.385215 0.335724 0.392806 0.0512806   -0.0793679  -0.00315624 86  VAL   B HB   
2962 H HG11 . VAL   B 74  ? 0.42691  0.374585 0.445832 0.0828626   -0.118937   -0.00979888 86  VAL   B HG11 
2963 H HG12 . VAL   B 74  ? 0.435622 0.361928 0.420362 0.0776207   -0.0998624  0.0120582   86  VAL   B HG12 
2964 H HG13 . VAL   B 74  ? 0.403274 0.346683 0.437567 0.0675007   -0.096235   -0.00361096 86  VAL   B HG13 
2965 H HG21 . VAL   B 74  ? 0.374701 0.353084 0.447406 0.0439647   -0.0850888  -0.0296297  86  VAL   B HG21 
2966 H HG22 . VAL   B 74  ? 0.378331 0.357145 0.430327 0.0419005   -0.088656   -0.0330458  86  VAL   B HG22 
2967 H HG23 . VAL   B 74  ? 0.39526  0.378682 0.463684 0.0565317   -0.10821    -0.0382148  86  VAL   B HG23 
2968 N N    . ILE   B 75  ? 0.327356 0.278327 0.287832 0.049748    -0.0739171  -0.00441035 87  ILE   B N    
2969 C CA   . ILE   B 75  ? 0.317535 0.272055 0.274056 0.0416075   -0.0639166  -0.00860992 87  ILE   B CA   
2970 C C    . ILE   B 75  ? 0.316367 0.279697 0.306721 0.0290523   -0.0613689  -0.0211752  87  ILE   B C    
2971 O O    . ILE   B 75  ? 0.290414 0.260484 0.308418 0.0246355   -0.0608482  -0.0243023  87  ILE   B O    
2972 C CB   . ILE   B 75  ? 0.319478 0.272906 0.264549 0.0370622   -0.0461303  0.00483605  87  ILE   B CB   
2973 C CG1  . ILE   B 75  ? 0.309445 0.264996 0.278355 0.0274989   -0.037002   0.0098512   87  ILE   B CG1  
2974 C CG2  . ILE   B 75  ? 0.349027 0.295237 0.258544 0.0480293   -0.0429546  0.0181149   87  ILE   B CG2  
2975 C CD1  . ILE   B 75  ? 0.3122   0.27114  0.277665 0.0211591   -0.0222025  0.0185189   87  ILE   B CD1  
2976 H H    . ILE   B 75  ? 0.340542 0.285557 0.29514  0.050534    -0.0679406  0.00633645  87  ILE   B H    
2977 H HA   . ILE   B 75  ? 0.336814 0.288494 0.276071 0.0480672   -0.0705894  -0.0125972  87  ILE   B HA   
2978 H HB   . ILE   B 75  ? 0.310457 0.267017 0.255472 0.0331558   -0.0413628  0.00074205  87  ILE   B HB   
2979 H HG12 . ILE   B 75  ? 0.320974 0.270521 0.290529 0.0317174   -0.0413378  0.0144718   87  ILE   B HG12 
2980 H HG13 . ILE   B 75  ? 0.295692 0.256348 0.283113 0.0218778   -0.0373378  0.00147083  87  ILE   B HG13 
2981 H HG21 . ILE   B 75  ? 0.343529 0.293616 0.249816 0.0443352   -0.0312616  0.0234237   87  ILE   B HG21 
2982 H HG22 . ILE   B 75  ? 0.360451 0.300325 0.267705 0.0510483   -0.044406   0.026055    87  ILE   B HG22 
2983 H HG23 . ILE   B 75  ? 0.363616 0.307503 0.256045 0.0561439   -0.0508549  0.01298     87  ILE   B HG23 
2984 H HD11 . ILE   B 75  ? 0.303798 0.267733 0.263527 0.0205826   -0.0193241  0.0152108   87  ILE   B HD11 
2985 H HD12 . ILE   B 75  ? 0.298177 0.259176 0.280664 0.0144454   -0.0186273  0.0170762   87  ILE   B HD12 
2986 H HD13 . ILE   B 75  ? 0.324536 0.278837 0.277167 0.0247635   -0.0191016  0.0283422   87  ILE   B HD13 
2987 N N    . LYS   B 76  ? 0.286256 0.247327 0.271673 0.0246115   -0.0582818  -0.0273937  88  LYS   B N    
2988 C CA   . LYS   B 76  ? 0.296079 0.259877 0.306835 0.0124389   -0.0534558  -0.0369062  88  LYS   B CA   
2989 C C    . LYS   B 76  ? 0.269231 0.238772 0.294234 0.00404801  -0.0386613  -0.031249   88  LYS   B C    
2990 O O    . LYS   B 76  ? 0.270092 0.246529 0.321511 -0.00421638 -0.034058   -0.0379083  88  LYS   B O    
2991 C CB   . LYS   B 76  ? 0.325894 0.277621 0.319963 0.0114975   -0.0514523  -0.0403795  88  LYS   B CB   
2992 H H    . LYS   B 76  ? 0.307635 0.263653 0.271797 0.0297969   -0.0581488  -0.0249268  88  LYS   B H    
2993 H HA   . LYS   B 76  ? 0.296388 0.265481 0.325736 0.0116409   -0.0621126  -0.0455472  88  LYS   B HA   
2996 N N    . ALA   B 77  ? 0.274337 0.242044 0.282384 0.00554481  -0.0301731  -0.0209223  89  ALA   B N    
2997 C CA   . ALA   B 77  ? 0.284539 0.256843 0.302129 -0.00123018 -0.0187297  -0.0186662  89  ALA   B CA   
2998 C C    . ALA   B 77  ? 0.256556 0.235023 0.297505 -0.00232269 -0.0199925  -0.0221046  89  ALA   B C    
2999 O O    . ALA   B 77  ? 0.269496 0.252894 0.323842 -0.00787053 -0.0116586  -0.0266231  89  ALA   B O    
3000 C CB   . ALA   B 77  ? 0.264177 0.237304 0.267004 0.00043441  -0.0131313  -0.0100923  89  ALA   B CB   
3001 H H    . ALA   B 77  ? 0.283477 0.248162 0.274415 0.0110205   -0.0316003  -0.0162441  89  ALA   B H    
3002 H HA   . ALA   B 77  ? 0.271131 0.242163 0.290978 -0.00599613 -0.0134456  -0.0217638  89  ALA   B HA   
3003 H HB1  . ALA   B 77  ? 0.272876 0.244057 0.262721 0.0024513   -0.0117306  -0.00874179 89  ALA   B HB1  
3004 H HB2  . ALA   B 77  ? 0.273978 0.246519 0.274122 0.00387738  -0.015958   -0.00541567 89  ALA   B HB2  
3005 H HB3  . ALA   B 77  ? 0.263417 0.239791 0.273083 -0.00355624 -0.00809375 -0.0110894  89  ALA   B HB3  
3006 N N    . TRP   B 78  ? 0.250994 0.228553 0.296661 0.00511209  -0.0312146  -0.0214852  90  TRP   B N    
3007 C CA   . TRP   B 78  ? 0.252829 0.234327 0.321678 0.00724729  -0.0340057  -0.0255241  90  TRP   B CA   
3008 C C    . TRP   B 78  ? 0.232771 0.227664 0.330661 0.00453738  -0.0362912  -0.0388711  90  TRP   B C    
3009 O O    . TRP   B 78  ? 0.272123 0.276015 0.393861 0.00242315  -0.0300648  -0.0457093  90  TRP   B O    
3010 C CB   . TRP   B 78  ? 0.262709 0.23451  0.322827 0.0186529   -0.0455771  -0.0177052  90  TRP   B CB   
3011 C CG   . TRP   B 78  ? 0.26813  0.227491 0.317084 0.0178945   -0.0387339  -0.00561045 90  TRP   B CG   
3012 C CD1  . TRP   B 78  ? 0.313257 0.270214 0.349548 0.0109597   -0.0278765  0.00189796  90  TRP   B CD1  
3013 C CD2  . TRP   B 78  ? 0.300746 0.248033 0.358165 0.0241733   -0.0433061  -0.00139861 90  TRP   B CD2  
3014 N NE1  . TRP   B 78  ? 0.316678 0.261328 0.354639 0.0101271   -0.024787   0.0107313   90  TRP   B NE1  
3015 C CE2  . TRP   B 78  ? 0.302774 0.237802 0.351965 0.0181295   -0.0336472  0.00947286  90  TRP   B CE2  
3016 C CE3  . TRP   B 78  ? 0.33848  0.284067 0.411945 0.0350885   -0.0554667  -0.00643829 90  TRP   B CE3  
3017 C CZ2  . TRP   B 78  ? 0.307629 0.223191 0.362089 0.0210906   -0.0346899  0.0166442   90  TRP   B CZ2  
3018 C CZ3  . TRP   B 78  ? 0.372959 0.298922 0.448113 0.0413332   -0.0576472  0.00122816  90  TRP   B CZ3  
3019 C CH2  . TRP   B 78  ? 0.324725 0.23306  0.389653 0.0333416   -0.0465234  0.0132262   90  TRP   B CH2  
3020 H H    . TRP   B 78  ? 0.263882 0.237392 0.296147 0.0104281   -0.0374906  -0.0185647  90  TRP   B H    
3021 H HA   . TRP   B 78  ? 0.242534 0.223924 0.31458  0.00333961  -0.0260086  -0.0249847  90  TRP   B HA   
3022 H HB2  . TRP   B 78  ? 0.273583 0.24271  0.318201 0.0232577   -0.0519361  -0.0153391  90  TRP   B HB2  
3023 H HB3  . TRP   B 78  ? 0.267415 0.243116 0.345043 0.0229591   -0.0521127  -0.0234119  90  TRP   B HB3  
3024 H HD1  . TRP   B 78  ? 0.291568 0.253838 0.319553 0.00780421  -0.02376    0.00139799  90  TRP   B HD1  
3025 H HE1  . TRP   B 78  ? 0.310657 0.254218 0.346291 0.00506107  -0.018416   0.0151589   90  TRP   B HE1  
3026 H HE3  . TRP   B 78  ? 0.330066 0.287052 0.414377 0.0383578   -0.0623638  -0.0150461  90  TRP   B HE3  
3027 H HZ2  . TRP   B 78  ? 0.318676 0.225979 0.371419 0.0150017   -0.0277664  0.023222    90  TRP   B HZ2  
3028 H HZ3  . TRP   B 78  ? 0.364964 0.289022 0.451039 0.050757    -0.0667419  -0.00229456 90  TRP   B HZ3  
3029 H HH2  . TRP   B 78  ? 0.353942 0.245584 0.421579 0.0366922   -0.0477866  0.0183842   90  TRP   B HH2  
3030 N N    . ASP   B 79  ? 0.243334 0.240877 0.342643 0.00490609  -0.0453148  -0.044338   91  ASP   B N    
3031 C CA   . ASP   B 79  ? 0.276706 0.289791 0.411473 -0.00077087 -0.0467992  -0.0581947  91  ASP   B CA   
3032 C C    . ASP   B 79  ? 0.289915 0.305812 0.432925 -0.0140838  -0.025492   -0.0589579  91  ASP   B C    
3033 O O    . ASP   B 79  ? 0.287232 0.318922 0.462943 -0.0192932  -0.0176175  -0.0676806  91  ASP   B O    
3034 C CB   . ASP   B 79  ? 0.30311  0.316501 0.439822 -0.00054409 -0.060833   -0.0663743  91  ASP   B CB   
3035 C CG   . ASP   B 79  ? 0.340634 0.356656 0.474782 0.0149434   -0.0850162  -0.0705037  91  ASP   B CG   
3036 O OD1  . ASP   B 79  ? 0.347757 0.369892 0.493661 0.0243266   -0.0912196  -0.0697495  91  ASP   B OD1  
3037 O OD2  . ASP   B 79  ? 0.365297 0.376893 0.487333 0.0183678   -0.0985002  -0.0764698  91  ASP   B OD2  
3038 H H    . ASP   B 79  ? 0.257263 0.247447 0.336771 0.00848887  -0.0504059  -0.0403083  91  ASP   B H    
3039 H HA   . ASP   B 79  ? 0.276933 0.298952 0.430892 0.00431691  -0.0520567  -0.0626262  91  ASP   B HA   
3040 H HB2  . ASP   B 79  ? 0.307873 0.30923  0.420659 -0.00196474 -0.0580418  -0.0613342  91  ASP   B HB2  
3041 H HB3  . ASP   B 79  ? 0.302167 0.325329 0.465261 -0.00887172 -0.0572111  -0.0750663  91  ASP   B HB3  
3042 N N    . ILE   B 80  ? 0.224188 0.225645 0.337052 -0.0180122  -0.01641    -0.0500953  92  ILE   B N    
3043 C CA   . ILE   B 80  ? 0.220752 0.219811 0.330149 -0.0274202  0.00292884  -0.0479954  92  ILE   B CA   
3044 C C    . ILE   B 80  ? 0.232861 0.237992 0.342957 -0.0254664  0.0124855   -0.0477989  92  ILE   B C    
3045 O O    . ILE   B 80  ? 0.247813 0.262152 0.37361  -0.0302777  0.0260232   -0.0530806  92  ILE   B O    
3046 C CB   . ILE   B 80  ? 0.251539 0.23256  0.326829 -0.0279203  0.00606584  -0.0391185  92  ILE   B CB   
3047 C CG1  . ILE   B 80  ? 0.274215 0.245141 0.349681 -0.0311052  6.404e-05   -0.042135   92  ILE   B CG1  
3048 C CG2  . ILE   B 80  ? 0.303785 0.278484 0.362601 -0.0321636  0.0233461   -0.0336207  92  ILE   B CG2  
3049 C CD1  . ILE   B 80  ? 0.311622 0.265758 0.351842 -0.0242766  -0.0036569  -0.0348933  92  ILE   B CD1  
3050 H H    . ILE   B 80  ? 0.240897 0.233882 0.333606 -0.013609   -0.0222141  -0.045116   92  ILE   B H    
3051 H HA   . ILE   B 80  ? 0.232996 0.237823 0.362432 -0.0340489  0.00761975  -0.0535405  92  ILE   B HA   
3052 H HB   . ILE   B 80  ? 0.253249 0.231937 0.313754 -0.0214551  -0.00010061 -0.0348845  92  ILE   B HB   
3053 H HG12 . ILE   B 80  ? 0.285349 0.253679 0.370912 -0.0394468  0.00943076  -0.0436135  92  ILE   B HG12 
3054 H HG13 . ILE   B 80  ? 0.276556 0.254182 0.366178 -0.0287985  -0.0110327  -0.0484264  92  ILE   B HG13 
3055 H HG21 . ILE   B 80  ? 0.298145 0.26057  0.338823 -0.0319274  0.0243762   -0.0288046  92  ILE   B HG21 
3056 H HG22 . ILE   B 80  ? 0.293928 0.273091 0.367668 -0.0382859  0.0326973   -0.0368279  92  ILE   B HG22 
3057 H HG23 . ILE   B 80  ? 0.284109 0.262209 0.335121 -0.0281601  0.0237147   -0.0321135  92  ILE   B HG23 
3058 H HD11 . ILE   B 80  ? 0.296393 0.254465 0.32728  -0.0170558  -0.00988281 -0.032342   92  ILE   B HD11 
3059 H HD12 . ILE   B 80  ? 0.312606 0.258827 0.353214 -0.0251497  -0.00904968 -0.0388874  92  ILE   B HD12 
3060 H HD13 . ILE   B 80  ? 0.306241 0.253633 0.333229 -0.0255346  0.00555202  -0.0293791  92  ILE   B HD13 
3061 N N    . GLY   B 81  ? 0.22044  0.220809 0.315999 -0.018428   0.00590976  -0.0431234  93  GLY   B N    
3062 C CA   . GLY   B 81  ? 0.260212 0.262186 0.354466 -0.0167993  0.0124195   -0.0451966  93  GLY   B CA   
3063 C C    . GLY   B 81  ? 0.247021 0.258773 0.369516 -0.0126768  0.0116569   -0.0547118  93  GLY   B C    
3064 O O    . GLY   B 81  ? 0.22181  0.239525 0.349519 -0.0136124  0.0232968   -0.0618579  93  GLY   B O    
3065 H H    . GLY   B 81  ? 0.230813 0.226126 0.31704  -0.0147388  -0.00263829 -0.0389713  93  GLY   B H    
3066 H HA2  . GLY   B 81  ? 0.251239 0.252728 0.335967 -0.0202848  0.0223869   -0.0454393  93  GLY   B HA2  
3067 H HA3  . GLY   B 81  ? 0.246055 0.24183  0.327777 -0.0142298  0.00763321  -0.0403145  93  GLY   B HA3  
3068 N N    . VAL   B 82  ? 0.247097 0.261093 0.387025 -0.00597819 -0.00214734 -0.0559567  94  VAL   B N    
3069 C CA   . VAL   B 82  ? 0.244647 0.267455 0.413175 0.00139549  -0.00536409 -0.0653691  94  VAL   B CA   
3070 C C    . VAL   B 82  ? 0.233721 0.278799 0.432801 -0.00330468 0.00591197  -0.0771777  94  VAL   B C    
3071 O O    . VAL   B 82  ? 0.244989 0.300004 0.463024 0.00077847  0.0131873   -0.0867517  94  VAL   B O    
3072 C CB   . VAL   B 82  ? 0.277805 0.294792 0.451982 0.0128771   -0.0250226  -0.0619693  94  VAL   B CB   
3073 C CG1  . VAL   B 82  ? 0.336425 0.361984 0.542278 0.0239289   -0.0304709  -0.0724263  94  VAL   B CG1  
3074 C CG2  . VAL   B 82  ? 0.276391 0.270193 0.420183 0.0150017   -0.0292757  -0.0479136  94  VAL   B CG2  
3075 H H    . VAL   B 82  ? 0.246582 0.256071 0.378512 -0.00456297 -0.0102198  -0.0510634  94  VAL   B H    
3076 H HA   . VAL   B 82  ? 0.251508 0.26898  0.415452 0.002764    -0.00112527 -0.0666561  94  VAL   B HA   
3077 H HB   . VAL   B 82  ? 0.279047 0.301016 0.454845 0.012249    -0.0312253  -0.0619541  94  VAL   B HB   
3078 H HG11 . VAL   B 82  ? 0.320164 0.344157 0.5283   0.0232088   -0.0216202  -0.0764153  94  VAL   B HG11 
3079 H HG12 . VAL   B 82  ? 0.315902 0.35924  0.545044 0.0236832   -0.0308062  -0.0808292  94  VAL   B HG12 
3080 H HG13 . VAL   B 82  ? 0.329648 0.344307 0.530629 0.0328157   -0.042613   -0.0672882  94  VAL   B HG13 
3081 H HG21 . VAL   B 82  ? 0.289757 0.276546 0.432734 0.0231566   -0.0400169  -0.0437676  94  VAL   B HG21 
3082 H HG22 . VAL   B 82  ? 0.274897 0.266074 0.400893 0.00991466  -0.0268594  -0.0420815  94  VAL   B HG22 
3083 H HG23 . VAL   B 82  ? 0.280165 0.268892 0.423943 0.0135962   -0.0233898  -0.0493488  94  VAL   B HG23 
3084 N N    . ALA   B 83  ? 0.227279 0.27797  0.429511 -0.0126399  0.0098112   -0.0763204  95  ALA   B N    
3085 C CA   . ALA   B 83  ? 0.22355  0.295587 0.459399 -0.0207286  0.0242497   -0.086113   95  ALA   B CA   
3086 C C    . ALA   B 83  ? 0.235582 0.307918 0.458545 -0.0247118  0.0483619   -0.0864034  95  ALA   B C    
3087 O O    . ALA   B 83  ? 0.263007 0.354679 0.513464 -0.0293987  0.0650276   -0.0944324  95  ALA   B O    
3088 C CB   . ALA   B 83  ? 0.23359  0.303566 0.471677 -0.0324963  0.0248248   -0.0836262  95  ALA   B CB   
3089 H H    . ALA   B 83  ? 0.227027 0.267908 0.411931 -0.0144394  0.00429305  -0.0698462  95  ALA   B H    
3090 H HA   . ALA   B 83  ? 0.225615 0.312784 0.491175 -0.0150324  0.0180794   -0.0948792  95  ALA   B HA   
3091 H HB1  . ALA   B 83  ? 0.229625 0.30216  0.47786  -0.0288749  0.0088285   -0.0866144  95  ALA   B HB1  
3092 H HB2  . ALA   B 83  ? 0.233951 0.287226 0.441682 -0.0353417  0.0280316   -0.0747673  95  ALA   B HB2  
3093 H HB3  . ALA   B 83  ? 0.235378 0.317477 0.495293 -0.0404248  0.0378887   -0.0884149  95  ALA   B HB3  
3094 N N    . THR   B 84  ? 0.253391 0.306097 0.434433 -0.0236106  0.0510496   -0.0778835  96  THR   B N    
3095 C CA   . THR   B 84  ? 0.280137 0.331851 0.441254 -0.0246303  0.0710105   -0.0794242  96  THR   B CA   
3096 C C    . THR   B 84  ? 0.344509 0.400707 0.510612 -0.014171   0.0710902   -0.0908363  96  THR   B C    
3097 O O    . THR   B 84  ? 0.308105 0.365784 0.457528 -0.012629   0.0872855   -0.0958642  96  THR   B O    
3098 C CB   . THR   B 84  ? 0.284474 0.315832 0.39965  -0.0262344  0.0714934   -0.068249   96  THR   B CB   
3099 O OG1  . THR   B 84  ? 0.263019 0.285056 0.365764 -0.0192483  0.0548808   -0.0677155  96  THR   B OG1  
3100 C CG2  . THR   B 84  ? 0.299667 0.320866 0.405565 -0.0344056  0.0712572   -0.0573725  96  THR   B CG2  
3101 H H    . THR   B 84  ? 0.248607 0.289596 0.412889 -0.0216791  0.0403791   -0.071667   96  THR   B H    
3102 H HA   . THR   B 84  ? 0.29417  0.355282 0.467345 -0.0304924  0.0851849   -0.0810586  96  THR   B HA   
3103 H HB   . THR   B 84  ? 0.299635 0.330681 0.399699 -0.0260629  0.0845329   -0.069456   96  THR   B HB   
3105 H HG21 . THR   B 84  ? 0.303623 0.312814 0.380442 -0.0338359  0.0734555   -0.0507651  96  THR   B HG21 
3106 H HG22 . THR   B 84  ? 0.283754 0.303673 0.3977   -0.0332312  0.0576378   -0.0563848  96  THR   B HG22 
3107 H HG23 . THR   B 84  ? 0.302068 0.329396 0.423069 -0.0408002  0.0824466   -0.058527   96  THR   B HG23 
3108 N N    . MET   B 85  ? 0.294373 0.350745 0.481455 -0.00568444 0.053836    -0.0955417  97  MET   B N    
3109 C CA   . MET   B 85  ? 0.298816 0.350021 0.48834  0.00485726  0.0499444   -0.105565   97  MET   B CA   
3110 C C    . MET   B 85  ? 0.284253 0.355666 0.512132 0.0136589   0.0561508   -0.121172   97  MET   B C    
3111 O O    . MET   B 85  ? 0.273886 0.36467  0.536573 0.0136659   0.0542741   -0.123729   97  MET   B O    
3112 C CB   . MET   B 85  ? 0.27311  0.305053 0.459084 0.00975345  0.028438    -0.098551   97  MET   B CB   
3113 C CG   . MET   B 85  ? 0.281882 0.29727  0.433588 0.00245722  0.0237617   -0.0853143  97  MET   B CG   
3114 S SD   . MET   B 85  ? 0.297373 0.292086 0.4488   0.00695088  0.00465561  -0.0751785  97  MET   B SD   
3115 C CE   . MET   B 85  ? 0.316514 0.296859 0.474462 0.0123219   0.0039054   -0.0874974  97  MET   B CE   
3116 H H    . MET   B 85  ? 0.294035 0.351609 0.493048 -0.00580874 0.0435928   -0.0924302  97  MET   B H    
3117 H HA   . MET   B 85  ? 0.300707 0.346075 0.46776  0.00388854  0.0572942   -0.107093   97  MET   B HA   
3118 H HB2  . MET   B 85  ? 0.275413 0.311755 0.477537 0.0120932   0.0201273   -0.0960941  97  MET   B HB2  
3119 H HB3  . MET   B 85  ? 0.289705 0.315587 0.480909 0.0162666   0.0258554   -0.105547   97  MET   B HB3  
3120 H HG2  . MET   B 85  ? 0.287894 0.299865 0.42455  0.00121311  0.0292083   -0.0888331  97  MET   B HG2  
3121 H HG3  . MET   B 85  ? 0.27472  0.293855 0.420011 -0.00270426 0.0259798   -0.0789582  97  MET   B HG3  
3122 H HE1  . MET   B 85  ? 0.322444 0.287903 0.481938 0.0139954   -0.00440876 -0.0814029  97  MET   B HE1  
3123 H HE2  . MET   B 85  ? 0.321074 0.308463 0.49493  0.01855     0.00687937  -0.097553   97  MET   B HE2  
3124 H HE3  . MET   B 85  ? 0.318046 0.29778  0.462274 0.00783455  0.00861472  -0.0908857  97  MET   B HE3  
3125 N N    . LYS   B 86  ? 0.313194 0.382829 0.537451 0.0220913   0.0634273   -0.134325   98  LYS   B N    
3126 C CA   . LYS   B 86  ? 0.320576 0.408358 0.580964 0.034349    0.0689323   -0.151625   98  LYS   B CA   
3127 C C    . LYS   B 86  ? 0.312453 0.383145 0.587829 0.0481168   0.0472719   -0.155833   98  LYS   B C    
3128 O O    . LYS   B 86  ? 0.31223  0.354578 0.564703 0.0468495   0.0336492   -0.147502   98  LYS   B O    
3129 C CB   . LYS   B 86  ? 0.361889 0.455477 0.607233 0.0390264   0.0899966   -0.166137   98  LYS   B CB   
3130 C CG   . LYS   B 86  ? 0.431827 0.540883 0.662447 0.026862    0.114775    -0.159324   98  LYS   B CG   
3131 C CD   . LYS   B 86  ? 0.602788 0.716265 0.808218 0.0330864   0.137477    -0.171605   98  LYS   B CD   
3132 C CE   . LYS   B 86  ? 0.667575 0.793335 0.858223 0.0218616   0.164815    -0.161826   98  LYS   B CE   
3133 N NZ   . LYS   B 86  ? 0.770475 0.902522 0.936821 0.0317876   0.187729    -0.175254   98  LYS   B NZ   
3134 H H    . LYS   B 86  ? 0.316749 0.373837 0.515312 0.0209919   0.0643256   -0.133748   98  LYS   B H    
3135 H HA   . LYS   B 86  ? 0.315023 0.422898 0.601507 0.0321198   0.0733287   -0.152225   98  LYS   B HA   
3136 H HB2  . LYS   B 86  ? 0.379859 0.45457  0.59904  0.0404181   0.0846121   -0.167162   98  LYS   B HB2  
3137 H HB3  . LYS   B 86  ? 0.378757 0.48438  0.649264 0.0489417   0.0933299   -0.178912   98  LYS   B HB3  
3138 H HG2  . LYS   B 86  ? 0.434315 0.562918 0.695745 0.0237189   0.120639    -0.159421   98  LYS   B HG2  
3139 H HG3  . LYS   B 86  ? 0.435101 0.530883 0.641253 0.0186231   0.110148    -0.146805   98  LYS   B HG3  
3140 H HD2  . LYS   B 86  ? 0.586756 0.681449 0.760928 0.0355752   0.129906    -0.172491   98  LYS   B HD2  
3141 H HD3  . LYS   B 86  ? 0.586289 0.712227 0.815439 0.0428553   0.141676    -0.185526   98  LYS   B HD3  
3142 H HE2  . LYS   B 86  ? 0.65846  0.802778 0.883366 0.0165386   0.171728    -0.160458   98  LYS   B HE2  
3143 H HE3  . LYS   B 86  ? 0.66747  0.7778   0.829335 0.0145533   0.161003    -0.149053   98  LYS   B HE3  
3144 H HZ1  . LYS   B 86  ? 0.749577 0.898128 0.944768 0.0388595   0.193382    -0.187488   98  LYS   B HZ1  
3145 H HZ2  . LYS   B 86  ? 0.756954 0.872728 0.894686 0.0377313   0.178568    -0.179543   98  LYS   B HZ2  
3146 H HZ3  . LYS   B 86  ? 0.762098 0.897748 0.912168 0.0256118   0.206069    -0.167586   98  LYS   B HZ3  
3147 N N    . LYS   B 87  ? 0.301653 0.389455 0.617582 0.0617238   0.0449119   -0.168468   99  LYS   B N    
3148 C CA   . LYS   B 87  ? 0.343807 0.410393 0.67153  0.0777481   0.0250883   -0.171945   99  LYS   B CA   
3149 C C    . LYS   B 87  ? 0.387062 0.424548 0.689836 0.0812643   0.0263059   -0.180099   99  LYS   B C    
3150 O O    . LYS   B 87  ? 0.385891 0.434153 0.683876 0.0837743   0.0434296   -0.196235   99  LYS   B O    
3151 C CB   . LYS   B 87  ? 0.398518 0.49344  0.776106 0.0949992   0.0250843   -0.188649   99  LYS   B CB   
3152 C CG   . LYS   B 87  ? 0.433915 0.503335 0.823954 0.115365    0.00195044  -0.190457   99  LYS   B CG   
3153 C CD   . LYS   B 87  ? 0.487187 0.585693 0.929621 0.136094    -0.00533102 -0.205026   99  LYS   B CD   
3154 C CE   . LYS   B 87  ? 0.490556 0.553299 0.935178 0.158088    -0.0294442  -0.203326   99  LYS   B CE   
3155 N NZ   . LYS   B 87  ? 0.571453 0.660962 1.06629  0.182937    -0.0342184  -0.223211   99  LYS   B NZ   
3156 H H    . LYS   B 87  ? 0.310136 0.422693 0.647643 0.0613743   0.0559879   -0.174772   99  LYS   B H    
3157 H HA   . LYS   B 87  ? 0.343386 0.396438 0.664198 0.0757717   0.0107353   -0.158944   99  LYS   B HA   
3158 H HB2  . LYS   B 87  ? 0.376248 0.493103 0.773235 0.0911935   0.0243569   -0.185795   99  LYS   B HB2  
3159 H HB3  . LYS   B 87  ? 0.398117 0.506591 0.781656 0.0976535   0.0410793   -0.201793   99  LYS   B HB3  
3160 H HG2  . LYS   B 87  ? 0.456484 0.505873 0.833762 0.119307    0.00433218  -0.196799   99  LYS   B HG2  
3161 H HG3  . LYS   B 87  ? 0.437217 0.487586 0.8118   0.112016    -0.011821   -0.175372   99  LYS   B HG3  
3162 H HD2  . LYS   B 87  ? 0.455738 0.574852 0.913542 0.132102    -0.0100521  -0.20038    99  LYS   B HD2  
3163 H HD3  . LYS   B 87  ? 0.47464  0.594182 0.934426 0.13994     0.0102288   -0.220532   99  LYS   B HD3  
3164 H HE2  . LYS   B 87  ? 0.525163 0.559355 0.948814 0.157714    -0.0271608  -0.204063   99  LYS   B HE2  
3165 H HE3  . LYS   B 87  ? 0.508989 0.558275 0.942687 0.157129    -0.0446023  -0.188325   99  LYS   B HE3  
3166 H HZ1  . LYS   B 87  ? 0.553517 0.655029 1.05756  0.185132    -0.0191131  -0.237676   99  LYS   B HZ1  
3167 H HZ2  . LYS   B 87  ? 0.535709 0.654624 1.05402  0.182536    -0.0368298  -0.224154   99  LYS   B HZ2  
3168 H HZ3  . LYS   B 87  ? 0.569911 0.634912 1.06404  0.197395    -0.0498088  -0.220758   99  LYS   B HZ3  
3169 N N    . GLY   B 88  ? 0.37249  0.373153 0.658672 0.0805492   0.00892497  -0.169069   100 GLY   B N    
3170 C CA   . GLY   B 88  ? 0.398808 0.368584 0.667372 0.0810563   0.00648224  -0.177374   100 GLY   B CA   
3171 C C    . GLY   B 88  ? 0.391288 0.353194 0.624193 0.0629795   0.0101485   -0.169435   100 GLY   B C    
3172 O O    . GLY   B 88  ? 0.407771 0.345513 0.628138 0.0596571   0.00490678  -0.174973   100 GLY   B O    
3173 H H    . GLY   B 88  ? 0.371501 0.366136 0.658138 0.0792354   -0.00140167 -0.156251   100 GLY   B H    
3174 H HA2  . GLY   B 88  ? 0.410718 0.356815 0.684779 0.0863294   -0.0060956  -0.172361   100 GLY   B HA2  
3175 H HA3  . GLY   B 88  ? 0.411717 0.388623 0.687581 0.0891985   0.0142785   -0.194566   100 GLY   B HA3  
3176 N N    . GLU   B 89  ? 0.368727 0.351945 0.587835 0.0517785   0.0186377   -0.158265   101 GLU   B N    
3177 C CA   . GLU   B 89  ? 0.340249 0.318908 0.526482 0.0380941   0.0210579   -0.151315   101 GLU   B CA   
3178 C C    . GLU   B 89  ? 0.320465 0.275698 0.500242 0.0298703   0.00647992  -0.134653   101 GLU   B C    
3179 O O    . GLU   B 89  ? 0.335441 0.283808 0.525939 0.0316537   -0.00215797 -0.12019    101 GLU   B O    
3180 C CB   . GLU   B 89  ? 0.330096 0.332395 0.505623 0.0302525   0.0329586   -0.141343   101 GLU   B CB   
3181 C CG   . GLU   B 89  ? 0.356761 0.357463 0.496428 0.0198955   0.0367153   -0.134462   101 GLU   B CG   
3182 C CD   . GLU   B 89  ? 0.31146  0.32922  0.440273 0.0135552   0.0501249   -0.12455    101 GLU   B CD   
3183 O OE1  . GLU   B 89  ? 0.315044 0.351313 0.456544 0.0161628   0.0666319   -0.131107   101 GLU   B OE1  
3184 O OE2  . GLU   B 89  ? 0.315236 0.32735  0.425483 0.00540844  0.0448792   -0.109586   101 GLU   B OE2  
3185 H H    . GLU   B 89  ? 0.352465 0.353059 0.58416  0.053061    0.0222332   -0.15546    101 GLU   B H    
3186 H HA   . GLU   B 89  ? 0.358167 0.333738 0.534021 0.0398737   0.0247779   -0.16414    101 GLU   B HA   
3187 H HB2  . GLU   B 89  ? 0.338815 0.35664  0.522385 0.0345305   0.0443594   -0.15016    101 GLU   B HB2  
3188 H HB3  . GLU   B 89  ? 0.321131 0.325234 0.506731 0.0285522   0.0272571   -0.130588   101 GLU   B HB3  
3189 H HG2  . GLU   B 89  ? 0.335028 0.324513 0.470234 0.0151433   0.0267255   -0.125544   101 GLU   B HG2  
3190 H HG3  . GLU   B 89  ? 0.357342 0.355629 0.484337 0.022592    0.0399081   -0.145787   101 GLU   B HG3  
3191 N N    . ILE   B 90  ? 0.314819 0.259418 0.477186 0.0218113   0.00410661  -0.137921   102 ILE   B N    
3192 C CA   . ILE   B 90  ? 0.332556 0.265425 0.487648 0.0103997   -0.00371591 -0.121674   102 ILE   B CA   
3193 C C    . ILE   B 90  ? 0.348687 0.299059 0.479449 0.00218279  0.00113825  -0.116514   102 ILE   B C    
3194 O O    . ILE   B 90  ? 0.343685 0.301591 0.458703 0.00291579  0.00476132  -0.130197   102 ILE   B O    
3195 C CB   . ILE   B 90  ? 0.365856 0.272585 0.53053  0.00627996  -0.0123832  -0.1286     102 ILE   B CB   
3196 C CG1  . ILE   B 90  ? 0.392712 0.274404 0.579028 0.0161239   -0.017942   -0.130611   102 ILE   B CG1  
3197 C CG2  . ILE   B 90  ? 0.374833 0.275785 0.536021 -0.00783984 -0.0163542  -0.112054   102 ILE   B CG2  
3198 C CD1  . ILE   B 90  ? 0.421054 0.273042 0.618854 0.0124885   -0.0248042  -0.143082   102 ILE   B CD1  
3199 H H    . ILE   B 90  ? 0.33552  0.281876 0.49132  0.0239345   0.00748862  -0.151662   102 ILE   B H    
3200 H HA   . ILE   B 90  ? 0.327436 0.257389 0.488397 0.0113065   -0.00650296 -0.108881   102 ILE   B HA   
3201 H HB   . ILE   B 90  ? 0.377717 0.287543 0.536925 0.00675331  -0.0115413  -0.144238   102 ILE   B HB   
3202 H HG12 . ILE   B 90  ? 0.386682 0.261564 0.575294 0.0159619   -0.0206602  -0.11425    102 ILE   B HG12 
3203 H HG13 . ILE   B 90  ? 0.391692 0.282606 0.582909 0.0262439   -0.0145351  -0.140151   102 ILE   B HG13 
3204 H HG21 . ILE   B 90  ? 0.38687  0.269928 0.559238 -0.0121126  -0.020785   -0.11506    102 ILE   B HG21 
3205 H HG22 . ILE   B 90  ? 0.360785 0.261427 0.520891 -0.00759134 -0.0158716  -0.0963228  102 ILE   B HG22 
3206 H HG23 . ILE   B 90  ? 0.360994 0.276629 0.510256 -0.0123294  -0.0147172  -0.114606   102 ILE   B HG23 
3207 H HD11 . ILE   B 90  ? 0.428521 0.287512 0.621631 0.0132853   -0.0236852  -0.160925   102 ILE   B HD11 
3208 H HD12 . ILE   B 90  ? 0.440514 0.274223 0.650676 0.0208694   -0.0281176  -0.14422    102 ILE   B HD12 
3209 H HD13 . ILE   B 90  ? 0.422858 0.26612  0.620981 0.0013712   -0.027198   -0.132872   102 ILE   B HD13 
3210 N N    . ALA   B 91  ? 0.282558 0.236766 0.407579 -0.00350081 -0.00012424 -0.0972285  103 ALA   B N    
3211 C CA   . ALA   B 91  ? 0.299218 0.267133 0.401892 -0.00901525 0.00326595  -0.0910263  103 ALA   B CA   
3212 C C    . ALA   B 91  ? 0.293657 0.257716 0.395176 -0.0169479  -0.0026784  -0.0771021  103 ALA   B C    
3213 O O    . ALA   B 91  ? 0.289188 0.240256 0.40302  -0.0183042  -0.00625871 -0.0662727  103 ALA   B O    
3214 C CB   . ALA   B 91  ? 0.273721 0.253981 0.369964 -0.00664647 0.0111944   -0.0845233  103 ALA   B CB   
3215 H H    . ALA   B 91  ? 0.297545 0.244671 0.430976 -0.00251146 -0.00357837 -0.0881236  103 ALA   B H    
3216 H HA   . ALA   B 91  ? 0.300298 0.271677 0.393312 -0.00851041 0.00444627  -0.10172    103 ALA   B HA   
3217 H HB1  . ALA   B 91  ? 0.283801 0.269108 0.382965 -0.00265351 0.0173889   -0.0934782  103 ALA   B HB1  
3218 H HB2  . ALA   B 91  ? 0.270984 0.248848 0.376571 -0.00604494 0.00809847  -0.0764347  103 ALA   B HB2  
3219 H HB3  . ALA   B 91  ? 0.273442 0.258893 0.353669 -0.0093721  0.0133568   -0.0798235  103 ALA   B HB3  
3220 N N    . HIS   B 92  ? 0.261595 0.236563 0.348262 -0.0206052  -0.00326397 -0.07758    104 HIS   B N    
3221 C CA   . HIS   B 92  ? 0.265499 0.244803 0.352403 -0.0266875  -0.00600357 -0.0652314  104 HIS   B CA   
3222 C C    . HIS   B 92  ? 0.307127 0.295958 0.374017 -0.0231294  -0.00198069 -0.0545642  104 HIS   B C    
3223 O O    . HIS   B 92  ? 0.294218 0.288802 0.343259 -0.0189799  0.00125166  -0.0595418  104 HIS   B O    
3224 C CB   . HIS   B 92  ? 0.281955 0.270397 0.372301 -0.0315744  -0.0120531  -0.0756088  104 HIS   B CB   
3225 C CG   . HIS   B 92  ? 0.289666 0.266605 0.406114 -0.0393146  -0.0171221  -0.0846395  104 HIS   B CG   
3226 N ND1  . HIS   B 92  ? 0.288423 0.272873 0.418098 -0.0458164  -0.0251711  -0.0989411  104 HIS   B ND1  
3227 C CD2  . HIS   B 92  ? 0.3224   0.277828 0.455001 -0.0408857  -0.0160479  -0.0817984  104 HIS   B CD2  
3228 C CE1  . HIS   B 92  ? 0.299495 0.265963 0.454759 -0.053751   -0.0274596  -0.104168   104 HIS   B CE1  
3229 N NE2  . HIS   B 92  ? 0.319516 0.265935 0.474863 -0.0500446  -0.0216227  -0.0928405  104 HIS   B NE2  
3230 H H    . HIS   B 92  ? 0.276359 0.257055 0.351825 -0.0180241  -0.00169697 -0.0861516  104 HIS   B H    
3231 H HA   . HIS   B 92  ? 0.275366 0.245721 0.373366 -0.0291588  -0.00650256 -0.0573042  104 HIS   B HA   
3232 H HB2  . HIS   B 92  ? 0.283255 0.277273 0.359826 -0.027019   -0.0128661  -0.0850151  104 HIS   B HB2  
3233 H HB3  . HIS   B 92  ? 0.27102  0.268213 0.359768 -0.0336484  -0.0122199  -0.067807   104 HIS   B HB3  
3235 H HD2  . HIS   B 92  ? 0.3094   0.256812 0.439605 -0.0364281  -0.0130947  -0.0740226  104 HIS   B HD2  
3236 H HE1  . HIS   B 92  ? 0.316629 0.283638 0.488248 -0.0605212  -0.0333223  -0.115184   104 HIS   B HE1  
3238 N N    . LEU   B 93  ? 0.243211 0.230332 0.310255 -0.0238247  -0.00144574 -0.0398852  105 LEU   B N    
3239 C CA   . LEU   B 93  ? 0.275412 0.268573 0.324467 -0.0202912  0.00072238  -0.0315429  105 LEU   B CA   
3240 C C    . LEU   B 93  ? 0.274031 0.276002 0.321201 -0.0217508  -7.591e-05  -0.0241332  105 LEU   B C    
3241 O O    . LEU   B 93  ? 0.280738 0.28093  0.340632 -0.0261505  0.00073548  -0.0176291  105 LEU   B O    
3242 C CB   . LEU   B 93  ? 0.248568 0.234737 0.296762 -0.0169669  0.00089351  -0.024206   105 LEU   B CB   
3243 C CG   . LEU   B 93  ? 0.27393  0.257458 0.33217  -0.0148658  0.00204318  -0.0316252  105 LEU   B CG   
3244 C CD1  . LEU   B 93  ? 0.286313 0.267003 0.347181 -0.0110259  -0.00240405 -0.0257346  105 LEU   B CD1  
3245 C CD2  . LEU   B 93  ? 0.259744 0.248905 0.309133 -0.0152701  0.00917636  -0.0390975  105 LEU   B CD2  
3246 H H    . LEU   B 93  ? 0.267429 0.247514 0.344396 -0.0258753  -0.00242255 -0.0350863  105 LEU   B H    
3247 H HA   . LEU   B 93  ? 0.264487 0.260892 0.303024 -0.018243   0.00240762  -0.0364351  105 LEU   B HA   
3248 H HB2  . LEU   B 93  ? 0.262324 0.243817 0.315259 -0.0172207  -0.00100334 -0.017907   105 LEU   B HB2  
3249 H HB3  . LEU   B 93  ? 0.25665  0.245182 0.293229 -0.0151031  0.00168219  -0.0204906  105 LEU   B HB3  
3250 H HG   . LEU   B 93  ? 0.273263 0.252816 0.342947 -0.0149779  0.00064371  -0.0357185  105 LEU   B HG   
3251 H HD11 . LEU   B 93  ? 0.28689  0.261768 0.34859  -0.00926618 -0.00643248 -0.0197958  105 LEU   B HD11 
3252 H HD12 . LEU   B 93  ? 0.282422 0.26515  0.354829 -0.00965364 -0.00223347 -0.0314856  105 LEU   B HD12 
3253 H HD13 . LEU   B 93  ? 0.279913 0.262418 0.330074 -0.0110516  -0.00173292 -0.0228206  105 LEU   B HD13 
3254 H HD21 . LEU   B 93  ? 0.269348 0.259798 0.316562 -0.0156823  0.00993439  -0.0449317  105 LEU   B HD21 
3255 H HD22 . LEU   B 93  ? 0.263405 0.253175 0.299848 -0.0152399  0.0104527   -0.0345598  105 LEU   B HD22 
3256 H HD23 . LEU   B 93  ? 0.264867 0.255282 0.323144 -0.0145846  0.0120343   -0.0428606  105 LEU   B HD23 
3257 N N    . LEU   B 94  ? 0.257051 0.267307 0.288181 -0.017135   -0.00011888 -0.023668   106 LEU   B N    
3258 C CA   . LEU   B 94  ? 0.27449  0.296228 0.303711 -0.0148847  1.212e-05   -0.0174015  106 LEU   B CA   
3259 C C    . LEU   B 94  ? 0.284659 0.299567 0.293114 -0.00737897 0.00161595  -0.0110068  106 LEU   B C    
3260 O O    . LEU   B 94  ? 0.25528  0.262455 0.249181 -0.0040748  0.00168193  -0.0136579  106 LEU   B O    
3261 C CB   . LEU   B 94  ? 0.269104 0.308084 0.301228 -0.0130339  -0.00473598 -0.0250564  106 LEU   B CB   
3262 C CG   . LEU   B 94  ? 0.275529 0.333807 0.317232 -0.0109613  -0.00390517 -0.0209707  106 LEU   B CG   
3263 C CD1  . LEU   B 94  ? 0.2613   0.325761 0.33029  -0.0218699  0.0025545   -0.0153016  106 LEU   B CD1  
3264 C CD2  . LEU   B 94  ? 0.312847 0.390042 0.357917 -0.00589763 -0.0121554  -0.0308574  106 LEU   B CD2  
3265 H H    . LEU   B 94  ? 0.2674   0.275626 0.287933 -0.0144392  0.00044769  -0.0272933  106 LEU   B H    
3266 H HA   . LEU   B 94  ? 0.270744 0.292862 0.310914 -0.0186445  0.00213327  -0.0123104  106 LEU   B HA   
3267 H HB2  . LEU   B 94  ? 0.275287 0.316583 0.320183 -0.0180942  -0.00737005 -0.0322036  106 LEU   B HB2  
3268 H HB3  . LEU   B 94  ? 0.277596 0.313611 0.292937 -0.00721281 -0.00649049 -0.027512   106 LEU   B HB3  
3269 H HG   . LEU   B 94  ? 0.277442 0.331718 0.305122 -0.00484522 -0.00137546 -0.0148902  106 LEU   B HG   
3270 H HD11 . LEU   B 94  ? 0.266579 0.317351 0.329249 -0.0227513  0.00672566  -0.00780395 106 LEU   B HD11 
3271 H HD12 . LEU   B 94  ? 0.265215 0.344692 0.341093 -0.0203743  0.00545828  -0.0127125  106 LEU   B HD12 
3272 H HD13 . LEU   B 94  ? 0.267403 0.333722 0.352663 -0.0288393  -0.00025509 -0.0219762  106 LEU   B HD13 
3273 H HD21 . LEU   B 94  ? 0.307474 0.377779 0.331369 0.00205423  -0.0150188  -0.0317285  106 LEU   B HD21 
3274 H HD22 . LEU   B 94  ? 0.304435 0.385727 0.36273  -0.0115464  -0.0162236  -0.0389917  106 LEU   B HD22 
3275 H HD23 . LEU   B 94  ? 0.300057 0.392649 0.355334 -0.00404381 -0.0110901  -0.0290066  106 LEU   B HD23 
3276 N N    . ILE   B 95  ? 0.242244 0.258272 0.248324 -0.00481665 0.00385523  -0.00280754 107 ILE   B N    
3277 C CA   . ILE   B 95  ? 0.293658 0.298733 0.282275 0.00159345  0.00327577  0.00065355  107 ILE   B CA   
3278 C C    . ILE   B 95  ? 0.337443 0.350136 0.314621 0.0101332   0.00524228  0.00427503  107 ILE   B C    
3279 O O    . ILE   B 95  ? 0.287256 0.311299 0.270868 0.00991859  0.0102898   0.00969327  107 ILE   B O    
3280 C CB   . ILE   B 95  ? 0.30157  0.296805 0.29301  0.00010351  0.00188371  0.00477074  107 ILE   B CB   
3281 C CG1  . ILE   B 95  ? 0.269696 0.259016 0.276238 -0.00575386 -0.00019593 -0.00101223 107 ILE   B CG1  
3282 C CG2  . ILE   B 95  ? 0.279503 0.265866 0.253554 0.00749219  -0.00194003 0.00491533  107 ILE   B CG2  
3283 C CD1  . ILE   B 95  ? 0.289464 0.270651 0.303151 -0.00532463 -0.00312584 0.00375641  107 ILE   B CD1  
3284 H H    . ILE   B 95  ? 0.262721 0.286475 0.2782   -0.00717487 0.0060628   6.12e-05    107 ILE   B H    
3285 H HA   . ILE   B 95  ? 0.291031 0.289494 0.273459 0.00231232  0.00206634  -0.002892   107 ILE   B HA   
3286 H HB   . ILE   B 95  ? 0.293356 0.292053 0.288393 -0.00084741 0.0046188   0.0102704   107 ILE   B HB   
3287 H HG12 . ILE   B 95  ? 0.277201 0.262962 0.280936 -0.00515671 -0.00116862 -0.00511011 107 ILE   B HG12 
3288 H HG13 . ILE   B 95  ? 0.275079 0.269233 0.28912  -0.00933734 0.00137454  -0.00428702 107 ILE   B HG13 
3289 H HG21 . ILE   B 95  ? 0.290896 0.271234 0.267399 0.00736504  -0.00579952 0.0045991   107 ILE   B HG21 
3290 H HG22 . ILE   B 95  ? 0.287907 0.271049 0.257859 0.00809064  -0.0026564  0.00067279  107 ILE   B HG22 
3291 H HG23 . ILE   B 95  ? 0.29506  0.284569 0.25979  0.0122645   -7.182e-05  0.0088733   107 ILE   B HG23 
3292 H HD11 . ILE   B 95  ? 0.290464 0.272254 0.303888 -0.00611509 -0.00037728 0.0103057   107 ILE   B HD11 
3293 H HD12 . ILE   B 95  ? 0.28335  0.262333 0.30901  -0.00798603 -0.00398023 -0.00070387 107 ILE   B HD12 
3294 H HD13 . ILE   B 95  ? 0.289808 0.26673  0.29613  -0.00080894 -0.00707343 0.00452902  107 ILE   B HD13 
3295 N N    . LYS   B 96  ? 0.284273 0.289804 0.245244 0.017877    0.00291902  0.00149493  108 LYS   B N    
3296 C CA   . LYS   B 96  ? 0.300279 0.310233 0.248893 0.0292995   0.00401235  0.00240617  108 LYS   B CA   
3297 C C    . LYS   B 96  ? 0.317676 0.317376 0.25312  0.0334154   0.00371616  0.00410146  108 LYS   B C    
3298 O O    . LYS   B 96  ? 0.311443 0.298906 0.247054 0.0283362   -0.00029439 0.00352358  108 LYS   B O    
3299 C CB   . LYS   B 96  ? 0.330767 0.32775  0.263676 0.0376373   0.000234    -0.00118632 108 LYS   B CB   
3300 C CG   . LYS   B 96  ? 0.353837 0.359231 0.289613 0.0393611   -0.00200853 -0.00291193 108 LYS   B CG   
3301 C CD   . LYS   B 96  ? 0.392946 0.380047 0.30663  0.0510178   -0.00547923 -0.00298775 108 LYS   B CD   
3302 C CE   . LYS   B 96  ? 0.40168  0.396398 0.310666 0.0575854   -0.0104255  -0.00416603 108 LYS   B CE   
3303 N NZ   . LYS   B 96  ? 0.492719 0.460689 0.375095 0.0701154   -0.0127193  -0.00085547 108 LYS   B NZ   
3304 H H    . LYS   B 96  ? 0.29994  0.296255 0.257286 0.0163817   0.00133411  -0.0010613  108 LYS   B H    
3305 H HA   . LYS   B 96  ? 0.301045 0.327884 0.259191 0.0300392   0.00721164  0.00372295  108 LYS   B HA   
3306 H HB2  . LYS   B 96  ? 0.335069 0.315651 0.262515 0.0342482   -0.00121392 -0.00214264 108 LYS   B HB2  
3307 H HB3  . LYS   B 96  ? 0.340149 0.337323 0.264561 0.0465539   0.00033248  -0.0017356  108 LYS   B HB3  
3308 H HG2  . LYS   B 96  ? 0.347761 0.372719 0.294777 0.0413142   -0.00161608 -0.00362864 108 LYS   B HG2  
3309 H HG3  . LYS   B 96  ? 0.346818 0.349995 0.287701 0.0315393   -0.00187124 -0.00359445 108 LYS   B HG3  
3310 H HD2  . LYS   B 96  ? 0.395817 0.363138 0.301319 0.0467753   -0.00425906 -0.00188291 108 LYS   B HD2  
3311 H HD3  . LYS   B 96  ? 0.396269 0.383829 0.30515  0.0597701   -0.00595085 -0.00354684 108 LYS   B HD3  
3312 H HE2  . LYS   B 96  ? 0.409502 0.426137 0.330481 0.0619326   -0.012905   -0.00690001 108 LYS   B HE2  
3313 H HE3  . LYS   B 96  ? 0.411611 0.404859 0.32179  0.0503401   -0.0098258  -0.00465649 108 LYS   B HE3  
3314 H HZ1  . LYS   B 96  ? 0.475619 0.444149 0.356956 0.0778948   -0.0136794  -0.00176277 108 LYS   B HZ1  
3315 H HZ2  . LYS   B 96  ? 0.477861 0.425738 0.352147 0.0642825   -0.00920835 0.00174427  108 LYS   B HZ2  
3316 H HZ3  . LYS   B 96  ? 0.481781 0.451641 0.356377 0.076615    -0.0167526  -0.00065828 108 LYS   B HZ3  
3317 N N    . PRO   B 97  ? 0.295548 0.302971 0.219965 0.0439169   0.00764508  0.00536239  109 PRO   B N    
3318 C CA   . PRO   B 97  ? 0.318939 0.318462 0.225339 0.0497924   0.0074083   0.00683958  109 PRO   B CA   
3319 C C    . PRO   B 97  ? 0.295528 0.271844 0.187531 0.0529286   -0.00352334 -0.00155443 109 PRO   B C    
3320 O O    . PRO   B 97  ? 0.319693 0.289022 0.201858 0.0545489   -0.00866047 -0.00187184 109 PRO   B O    
3321 C CB   . PRO   B 97  ? 0.38016  0.395371 0.276869 0.0622907   0.0163671   0.00788911  109 PRO   B CB   
3322 C CG   . PRO   B 97  ? 0.349972 0.38092  0.262374 0.0646847   0.0181658   0.00480501  109 PRO   B CG   
3323 C CD   . PRO   B 97  ? 0.332801 0.361897 0.263732 0.0513848   0.0132574   0.00511846  109 PRO   B CD   
3324 H HA   . PRO   B 97  ? 0.316381 0.317839 0.227713 0.0443142   0.00940206  0.0123907   109 PRO   B HA   
3325 H HB2  . PRO   B 97  ? 0.379323 0.384494 0.257589 0.0715398   0.0131526   0.00307732  109 PRO   B HB2  
3326 H HB3  . PRO   B 97  ? 0.367504 0.392625 0.26614  0.0604086   0.0240733   0.0148643   109 PRO   B HB3  
3327 H HG2  . PRO   B 97  ? 0.36394  0.385886 0.265261 0.0737166   0.0139756   -0.00082931 109 PRO   B HG2  
3328 H HG3  . PRO   B 97  ? 0.354765 0.405794 0.276371 0.0664721   0.0263698   0.00766005  109 PRO   B HG3  
3329 H HD2  . PRO   B 97  ? 0.323347 0.349407 0.253176 0.0550016   0.0091148   0.00128006  109 PRO   B HD2  
3330 H HD3  . PRO   B 97  ? 0.314851 0.359471 0.262532 0.0449793   0.0177631   0.0083316   109 PRO   B HD3  
3331 N N    . GLU   B 98  ? 0.296573 0.260414 0.188569 0.0533929   -0.00737603 -0.0078766  110 GLU   B N    
3332 C CA   . GLU   B 98  ? 0.353499 0.294034 0.239878 0.0521003   -0.0165299  -0.0166458  110 GLU   B CA   
3333 C C    . GLU   B 98  ? 0.325854 0.264808 0.228677 0.040009    -0.0214937  -0.0175694  110 GLU   B C    
3334 O O    . GLU   B 98  ? 0.363191 0.290266 0.266666 0.0389004   -0.0310183  -0.0264672  110 GLU   B O    
3335 C CB   . GLU   B 98  ? 0.398735 0.321169 0.283448 0.0520527   -0.0166478  -0.0196224  110 GLU   B CB   
3336 C CG   . GLU   B 98  ? 0.537504 0.457219 0.405    0.0685887   -0.0153779  -0.021686   110 GLU   B CG   
3337 C CD   . GLU   B 98  ? 0.584726 0.531189 0.457221 0.075318    -0.00816676 -0.0152648  110 GLU   B CD   
3338 O OE1  . GLU   B 98  ? 0.356843 0.320155 0.245663 0.0661486   -0.00464767 -0.00918945 110 GLU   B OE1  
3339 O OE2  . GLU   B 98  ? 0.572848 0.527008 0.435206 0.0906928   -0.00611352 -0.0184676  110 GLU   B OE2  
3340 H H    . GLU   B 98  ? 0.302938 0.27215  0.199176 0.0542736   -0.00437436 -0.00659171 110 GLU   B H    
3341 H HA   . GLU   B 98  ? 0.36376  0.300053 0.235947 0.0604641   -0.0199868  -0.0210791  110 GLU   B HA   
3342 H HB2  . GLU   B 98  ? 0.401948 0.328733 0.295662 0.0459224   -0.0127934  -0.0150088  110 GLU   B HB2  
3343 H HB3  . GLU   B 98  ? 0.421731 0.328639 0.307786 0.0479047   -0.0214204  -0.0251177  110 GLU   B HB3  
3344 H HG2  . GLU   B 98  ? 0.530509 0.431439 0.3938   0.069458    -0.0171748  -0.0236802  110 GLU   B HG2  
3345 H HG3  . GLU   B 98  ? 0.529025 0.446813 0.385942 0.0757168   -0.0181403  -0.0268237  110 GLU   B HG3  
3346 N N    . TYR   B 99  ? 0.308935 0.260411 0.227959 0.0316989   -0.0165953  -0.0108898  111 TYR   B N    
3347 C CA   . TYR   B 99  ? 0.326132 0.277801 0.263656 0.0226126   -0.0205738  -0.0128307  111 TYR   B CA   
3348 C C    . TYR   B 99  ? 0.354117 0.314007 0.291344 0.0253637   -0.0222942  -0.00649089 111 TYR   B C    
3349 O O    . TYR   B 99  ? 0.314684 0.276389 0.268399 0.020456    -0.0254872  -0.00660679 111 TYR   B O    
3350 C CB   . TYR   B 99  ? 0.304804 0.259018 0.259716 0.0122335   -0.0138438  -0.0120648  111 TYR   B CB   
3351 C CG   . TYR   B 99  ? 0.298289 0.238059 0.250055 0.00909387  -0.0109815  -0.015502   111 TYR   B CG   
3352 C CD1  . TYR   B 99  ? 0.288869 0.22292  0.224423 0.0148698   -0.00689336 -0.0119063  111 TYR   B CD1  
3353 C CD2  . TYR   B 99  ? 0.328189 0.259705 0.295423 0.00025636  -0.0116769  -0.0217098  111 TYR   B CD2  
3354 C CE1  . TYR   B 99  ? 0.311626 0.225862 0.239372 0.0135102   -0.00374858 -0.0120467  111 TYR   B CE1  
3355 C CE2  . TYR   B 99  ? 0.337749 0.251322 0.301577 -0.0043457  -0.0062387  -0.0222182  111 TYR   B CE2  
3356 C CZ   . TYR   B 99  ? 0.352788 0.254368 0.293571 0.00271467  -0.00194074 -0.0160302  111 TYR   B CZ   
3357 O OH   . TYR   B 99  ? 0.389104 0.266235 0.320161 0.00037914  0.00405931  -0.0131848  111 TYR   B OH   
3358 H H    . TYR   B 99  ? 0.306674 0.267467 0.227098 0.0321185   -0.0110052  -0.00617421 111 TYR   B H    
3359 H HA   . TYR   B 99  ? 0.332834 0.276339 0.271317 0.0224341   -0.0271289  -0.0196489  111 TYR   B HA   
3360 H HB2  . TYR   B 99  ? 0.296005 0.257883 0.249985 0.0126816   -0.00920974 -0.00757892 111 TYR   B HB2  
3361 H HB3  . TYR   B 99  ? 0.297232 0.254278 0.265914 0.00772449  -0.0157042  -0.0139199  111 TYR   B HB3  
3362 H HD1  . TYR   B 99  ? 0.291257 0.234685 0.221237 0.0205045   -0.00626404 -0.00894961 111 TYR   B HD1  
3363 H HD2  . TYR   B 99  ? 0.315825 0.25366  0.297025 -0.00238129 -0.016029   -0.0255706  111 TYR   B HD2  
3364 H HE1  . TYR   B 99  ? 0.32689  0.235895 0.241509 0.0199376   -0.00238446 -0.00907104 111 TYR   B HE1  
3365 H HE2  . TYR   B 99  ? 0.34423  0.253426 0.32247  -0.0122307  -0.00497582 -0.026293   111 TYR   B HE2  
3367 N N    . ALA   B 100 ? 0.332664 0.295711 0.249521 0.0346932   -0.0193505  -0.00045761 112 ALA   B N    
3368 C CA   . ALA   B 100 ? 0.328766 0.293699 0.239914 0.0374788   -0.0184953  0.0091009   112 ALA   B CA   
3369 C C    . ALA   B 100 ? 0.367181 0.326979 0.245528 0.0518909   -0.0220375  0.00949494  112 ALA   B C    
3370 O O    . ALA   B 100 ? 0.388452 0.339231 0.25823  0.0576478   -0.0362751  -0.00039056 112 ALA   B O    
3371 C CB   . ALA   B 100 ? 0.330646 0.306782 0.253043 0.0311155   -0.00524879 0.0191803   112 ALA   B CB   
3372 H H    . ALA   B 100 ? 0.342592 0.305632 0.248634 0.039753    -0.0169926  -0.00178883 112 ALA   B H    
3373 H HA   . ALA   B 100 ? 0.333117 0.294398 0.254195 0.03488     -0.0249371  0.00744736  112 ALA   B HA   
3374 H HB1  . ALA   B 100 ? 0.313134 0.290338 0.253268 0.0234847   -0.00548021 0.0175785   112 ALA   B HB1  
3375 H HB2  . ALA   B 100 ? 0.324443 0.307811 0.244378 0.0327748   1.478e-05   0.018302    112 ALA   B HB2  
3376 H HB3  . ALA   B 100 ? 0.339068 0.314116 0.254236 0.033251    -0.0017892  0.0276128   112 ALA   B HB3  
3377 N N    . TYR   B 101 ? 0.361411 0.328959 0.223497 0.0577865   -0.00920694 0.0181908   113 TYR   B N    
3378 C CA   . TYR   B 101 ? 0.378115 0.341156 0.203162 0.0733149   -0.00933134 0.0200309   113 TYR   B CA   
3379 C C    . TYR   B 101 ? 0.369826 0.337386 0.179056 0.0836719   -0.00489492 0.0113147   113 TYR   B C    
3380 O O    . TYR   B 101 ? 0.426303 0.392121 0.202585 0.0981922   -0.00246374 0.011129    113 TYR   B O    
3381 C CB   . TYR   B 101 ? 0.402678 0.367871 0.215601 0.0743503   0.00428984  0.0392105   113 TYR   B CB   
3382 C CG   . TYR   B 101 ? 0.396665 0.350241 0.218666 0.068856    -0.0025378  0.0475067   113 TYR   B CG   
3383 C CD1  . TYR   B 101 ? 0.425858 0.364524 0.224994 0.0805099   -0.0195779  0.0454495   113 TYR   B CD1  
3384 C CD2  . TYR   B 101 ? 0.349833 0.307161 0.205693 0.0535973   0.00425696  0.0535545   113 TYR   B CD2  
3385 C CE1  . TYR   B 101 ? 0.442014 0.369447 0.249091 0.0789699   -0.0263644  0.0538033   113 TYR   B CE1  
3386 C CE2  . TYR   B 101 ? 0.381934 0.326092 0.247206 0.0505137   -0.00248334 0.0595076   113 TYR   B CE2  
3387 C CZ   . TYR   B 101 ? 0.383164 0.312537 0.225183 0.0636591   -0.0176934  0.060028    113 TYR   B CZ   
3388 O OH   . TYR   B 101 ? 0.415396 0.331948 0.268118 0.0637147   -0.0260549  0.0648892   113 TYR   B OH   
3389 H H    . TYR   B 101 ? 0.349447 0.3265   0.223697 0.0525708   2.733e-05   0.0223364   113 TYR   B H    
3390 H HA   . TYR   B 101 ? 0.390295 0.34345  0.206673 0.0777382   -0.0226409  0.0136242   113 TYR   B HA   
3391 H HB2  . TYR   B 101 ? 0.388229 0.365369 0.215542 0.0680439   0.0173164   0.0446109   113 TYR   B HB2  
3392 H HB3  . TYR   B 101 ? 0.427439 0.389441 0.211089 0.085971    0.00578579  0.0410241   113 TYR   B HB3  
3393 H HD1  . TYR   B 101 ? 0.44746  0.38321  0.221859 0.0916128   -0.0256728  0.0397578   113 TYR   B HD1  
3394 H HD2  . TYR   B 101 ? 0.345264 0.314003 0.217635 0.0463986   0.012833    0.0527612   113 TYR   B HD2  
3395 H HE1  . TYR   B 101 ? 0.450828 0.369773 0.2431   0.088694    -0.0396688  0.051803    113 TYR   B HE1  
3396 H HE2  . TYR   B 101 ? 0.356498 0.301714 0.243986 0.0407664   0.00200774  0.0620899   113 TYR   B HE2  
3398 N N    . GLY   B 102 ? 0.362137 0.335475 0.192097 0.0783211   -0.0023183  0.00524115  114 GLY   B N    
3399 C CA   . GLY   B 102 ? 0.410934 0.381034 0.22787  0.0898973   -0.00343026 -0.00630929 114 GLY   B CA   
3400 C C    . GLY   B 102 ? 0.415406 0.402549 0.216769 0.102791    0.0121672   -0.00216773 114 GLY   B C    
3401 O O    . GLY   B 102 ? 0.411326 0.417154 0.220058 0.0987274   0.0277124   0.0115571   114 GLY   B O    
3402 H H    . GLY   B 102 ? 0.345913 0.32387  0.197058 0.0684523   -0.00025309 0.00822672  114 GLY   B H    
3403 H HA2  . GLY   B 102 ? 0.384483 0.353944 0.217601 0.0846622   -0.00431212 -0.00920235 114 GLY   B HA2  
3404 H HA3  . GLY   B 102 ? 0.414705 0.370881 0.217538 0.095192    -0.014188   -0.0153362  114 GLY   B HA3  
3405 N N    . SER   B 103 ? 0.44737  0.426789 0.225219 0.119111    0.00886402  -0.0146193  115 SER   B N    
3406 C CA   . SER   B 103 ? 0.429    0.427629 0.193499 0.134036    0.0253195   -0.0133648  115 SER   B CA   
3407 C C    . SER   B 103 ? 0.435347 0.436336 0.166635 0.142253    0.0339285   -0.00527111 115 SER   B C    
3408 O O    . SER   B 103 ? 0.452133 0.474985 0.179697 0.14761     0.0546308   0.00378806  115 SER   B O    
3409 C CB   . SER   B 103 ? 0.499159 0.48817  0.252029 0.150579    0.0198157   -0.030334   115 SER   B CB   
3410 O OG   . SER   B 103 ? 0.51807  0.478066 0.245033 0.156251    0.00219632  -0.0439206  115 SER   B OG   
3411 H H    . SER   B 103 ? 0.44441  0.406996 0.215999 0.121105    -0.00308605 -0.0247825  115 SER   B H    
3412 H HA   . SER   B 103 ? 0.421539 0.438991 0.208666 0.127564    0.0356467   -0.00567111 115 SER   B HA   
3413 H HB2  . SER   B 103 ? 0.499742 0.503342 0.243262 0.162305    0.0312866   -0.0306305  115 SER   B HB2  
3414 H HB3  . SER   B 103 ? 0.467396 0.45461  0.239908 0.145946    0.0163534   -0.0321546  115 SER   B HB3  
3416 N N    . ALA   B 104 ? 0.46284  0.442473 0.17031  0.143595    0.0185949   -0.00769377 116 ALA   B N    
3417 C CA   . ALA   B 104 ? 0.512434 0.490344 0.180616 0.154227    0.02508     0.00184627  116 ALA   B CA   
3418 C C    . ALA   B 104 ? 0.470459 0.459091 0.150453 0.141582    0.0424256   0.0267265   116 ALA   B C    
3419 O O    . ALA   B 104 ? 0.501203 0.49466  0.150743 0.150372    0.0603217   0.0405072   116 ALA   B O    
3420 C CB   . ALA   B 104 ? 0.605617 0.559013 0.24427  0.162538    -0.00016659 -0.00993306 116 ALA   B CB   
3421 H H    . ALA   B 104 ? 0.453838 0.420229 0.169718 0.138406    0.00385352  -0.0153964  116 ALA   B H    
3422 H HA   . ALA   B 104 ? 0.53572  0.521364 0.184532 0.167158    0.0357192   -0.00101083 116 ALA   B HA   
3423 H HB1  . ALA   B 104 ? 0.59681  0.54262  0.22411  0.171856    -0.00924648 -0.0262692  116 ALA   B HB1  
3424 H HB2  . ALA   B 104 ? 0.561203 0.508745 0.222332 0.150826    -0.0113465  -0.010109   116 ALA   B HB2  
3425 H HB3  . ALA   B 104 ? 0.612499 0.563662 0.221538 0.170845    0.00351446  -0.00166526 116 ALA   B HB3  
3426 N N    . GLY   B 105 ? 0.466284 0.456368 0.18801  0.121917    0.0381783   0.031601    117 GLY   B N    
3427 C CA   . GLY   B 105 ? 0.456526 0.447954 0.194049 0.107815    0.0481208   0.0516572   117 GLY   B CA   
3428 C C    . GLY   B 105 ? 0.500474 0.468811 0.203633 0.1152      0.0371651   0.0595945   117 GLY   B C    
3429 O O    . GLY   B 105 ? 0.482348 0.43629  0.159767 0.127812    0.0161803   0.0458344   117 GLY   B O    
3430 H H    . GLY   B 105 ? 0.433806 0.42212  0.17429  0.11733     0.0286888   0.0216048   117 GLY   B H    
3431 H HA2  . GLY   B 105 ? 0.429037 0.422245 0.197872 0.0952606   0.0430507   0.049757    117 GLY   B HA2  
3432 H HA3  . GLY   B 105 ? 0.467211 0.472538 0.207389 0.106478    0.0670755   0.0617129   117 GLY   B HA3  
3433 N N    . SER   B 106 ? 0.530262 0.494735 0.231333 0.108747    0.0522423   0.0823309   118 SER   B N    
3434 C CA   . SER   B 106 ? 0.537619 0.47786  0.203616 0.117562    0.0443748   0.0951782   118 SER   B CA   
3435 C C    . SER   B 106 ? 0.560952 0.498389 0.217955 0.112095    0.0725864   0.12341     118 SER   B C    
3436 O O    . SER   B 106 ? 0.563651 0.48893  0.24203  0.0989827   0.0755141   0.137881    118 SER   B O    
3437 C CB   . SER   B 106 ? 0.527233 0.454731 0.220645 0.109049    0.0219859   0.0900994   118 SER   B CB   
3438 O OG   . SER   B 106 ? 0.549933 0.455215 0.204143 0.125019    0.00614012  0.0956891   118 SER   B OG   
3439 H H    . SER   B 106 ? 0.506505 0.483175 0.22999  0.0985508   0.0676571   0.0900249   118 SER   B H    
3440 H HA   . SER   B 106 ? 0.573132 0.507038 0.202893 0.133554    0.0360843   0.088725    118 SER   B HA   
3441 H HB2  . SER   B 106 ? 0.492333 0.425636 0.20315  0.106919    0.00949955  0.0732911   118 SER   B HB2  
3442 H HB3  . SER   B 106 ? 0.502164 0.430909 0.222486 0.0957662   0.0307468   0.0991939   118 SER   B HB3  
3444 N N    . LEU   B 107 ? 0.567797 0.513865 0.190309 0.123336    0.0940654   0.131171    119 LEU   B N    
3445 C CA   . LEU   B 107 ? 0.608111 0.554794 0.224451 0.116274    0.127165    0.158902    119 LEU   B CA   
3446 C C    . LEU   B 107 ? 0.699436 0.609034 0.272001 0.124594    0.123471    0.18152     119 LEU   B C    
3447 O O    . LEU   B 107 ? 0.729661 0.62007  0.252076 0.146743    0.10109     0.175706    119 LEU   B O    
3448 C CB   . LEU   B 107 ? 0.64241  0.610516 0.230216 0.128989    0.152809    0.159941    119 LEU   B CB   
3449 C CG   . LEU   B 107 ? 0.600726 0.60751  0.23695  0.121131    0.161725    0.142182    119 LEU   B CG   
3450 C CD1  . LEU   B 107 ? 0.634376 0.663133 0.241657 0.136969    0.188048    0.14272     119 LEU   B CD1  
3451 C CD2  . LEU   B 107 ? 0.572491 0.596638 0.276118 0.0932091   0.174734    0.150008    119 LEU   B CD2  
3452 H H    . LEU   B 107 ? 0.584032 0.535534 0.186907 0.135555    0.0891066   0.118657    119 LEU   B H    
3453 H HA   . LEU   B 107 ? 0.58411  0.541087 0.244958 0.0980863   0.135175    0.161758    119 LEU   B HA   
3454 H HB2  . LEU   B 107 ? 0.670353 0.629346 0.215861 0.147792    0.141159    0.151657    119 LEU   B HB2  
3455 H HB3  . LEU   B 107 ? 0.678019 0.642956 0.25401  0.125854    0.175904    0.180792    119 LEU   B HB3  
3456 H HG   . LEU   B 107 ? 0.574707 0.580705 0.217564 0.125338    0.139819    0.122963    119 LEU   B HG   
3457 H HD11 . LEU   B 107 ? 0.663005 0.679538 0.225931 0.155684    0.177512    0.134952    119 LEU   B HD11 
3458 H HD12 . LEU   B 107 ? 0.606665 0.660255 0.246272 0.133926    0.191626    0.130473    119 LEU   B HD12 
3459 H HD13 . LEU   B 107 ? 0.66443  0.694705 0.265119 0.132212    0.212146    0.162567    119 LEU   B HD13 
3460 H HD21 . LEU   B 107 ? 0.536757 0.55291  0.262662 0.0855001   0.155524    0.141952    119 LEU   B HD21 
3461 H HD22 . LEU   B 107 ? 0.594532 0.610137 0.294343 0.0858416   0.191244    0.169787    119 LEU   B HD22 
3462 H HD23 . LEU   B 107 ? 0.551844 0.603497 0.28057  0.0908454   0.185564    0.142632    119 LEU   B HD23 
3463 N N    . PRO   B 108 ? 0.739773 0.637679 0.319463 0.110988    0.149423    0.210197    120 PRO   B N    
3464 C CA   . PRO   B 108 ? 0.723048 0.646799 0.355086 0.0869683   0.180534    0.218152    120 PRO   B CA   
3465 C C    . PRO   B 108 ? 0.652571 0.583738 0.355573 0.0625088   0.169607    0.207713    120 PRO   B C    
3466 O O    . PRO   B 108 ? 0.666376 0.626312 0.420505 0.0439285   0.186267    0.204299    120 PRO   B O    
3467 C CB   . PRO   B 108 ? 0.783273 0.684198 0.389965 0.0821084   0.212181    0.254285    120 PRO   B CB   
3468 C CG   . PRO   B 108 ? 0.849948 0.705218 0.405858 0.0990691   0.188749    0.265028    120 PRO   B CG   
3469 C CD   . PRO   B 108 ? 0.823433 0.681391 0.351976 0.121792    0.151879    0.23745     120 PRO   B CD   
3470 H HA   . PRO   B 108 ? 0.7089   0.658215 0.34361  0.0906936   0.189867    0.208509    120 PRO   B HA   
3471 H HB2  . PRO   B 108 ? 0.775479 0.679625 0.425129 0.0615324   0.224527    0.261712    120 PRO   B HB2  
3472 H HB3  . PRO   B 108 ? 0.821451 0.732845 0.400945 0.0902283   0.232566    0.261355    120 PRO   B HB3  
3473 H HG2  . PRO   B 108 ? 0.827047 0.667527 0.411808 0.086945    0.181218    0.26878     120 PRO   B HG2  
3474 H HG3  . PRO   B 108 ? 0.899453 0.736712 0.411427 0.107903    0.204947    0.286491    120 PRO   B HG3  
3475 H HD2  . PRO   B 108 ? 0.81316  0.653653 0.345955 0.123719    0.129254    0.233732    120 PRO   B HD2  
3476 H HD3  . PRO   B 108 ? 0.863761 0.716127 0.340586 0.140741    0.153548    0.240646    120 PRO   B HD3  
3477 N N    . LYS   B 109 ? 0.67436  0.585269 0.382809 0.0644177   0.139185    0.197584    121 LYS   B N    
3478 C CA   . LYS   B 109 ? 0.606594 0.521935 0.376396 0.0429124   0.130684    0.188223    121 LYS   B CA   
3479 C C    . LYS   B 109 ? 0.564572 0.515579 0.376142 0.0356539   0.123478    0.162452    121 LYS   B C    
3480 O O    . LYS   B 109 ? 0.536976 0.501205 0.39875  0.0162821   0.12828     0.158329    121 LYS   B O    
3481 C CB   . LYS   B 109 ? 0.665844 0.553059 0.435226 0.0471746   0.10218     0.183029    121 LYS   B CB   
3482 C CG   . LYS   B 109 ? 0.768527 0.613446 0.50572  0.0533151   0.104914    0.209468    121 LYS   B CG   
3483 C CD   . LYS   B 109 ? 0.822684 0.646195 0.58632  0.0498763   0.0822169   0.202958    121 LYS   B CD   
3484 C CE   . LYS   B 109 ? 0.910924 0.697562 0.631485 0.0710182   0.0647248   0.21505     121 LYS   B CE   
3485 N NZ   . LYS   B 109 ? 0.996226 0.745967 0.695276 0.068928    0.084254    0.247501    121 LYS   B NZ   
3486 H H    . LYS   B 109 ? 0.675991 0.571616 0.351109 0.0794305   0.123565    0.195429    121 LYS   B H    
3487 H HA   . LYS   B 109 ? 0.636821 0.549093 0.425405 0.0291166   0.14873     0.202333    121 LYS   B HA   
3488 H HB2  . LYS   B 109 ? 0.651093 0.540834 0.402737 0.0601515   0.084927    0.170006    121 LYS   B HB2  
3489 H HB3  . LYS   B 109 ? 0.624719 0.518591 0.434037 0.0339435   0.0974791   0.17377     121 LYS   B HB3  
3490 H HG2  . LYS   B 109 ? 0.79436  0.63511  0.537607 0.0426266   0.127234    0.226144    121 LYS   B HG2  
3491 H HG3  . LYS   B 109 ? 0.806545 0.641757 0.499056 0.0712366   0.0994743   0.213947    121 LYS   B HG3  
3492 H HD2  . LYS   B 109 ? 0.770599 0.611484 0.555295 0.0489985   0.0675007   0.182275    121 LYS   B HD2  
3493 H HD3  . LYS   B 109 ? 0.810716 0.628813 0.604051 0.0339636   0.0933023   0.209412    121 LYS   B HD3  
3494 H HE2  . LYS   B 109 ? 0.918991 0.709299 0.604402 0.0872045   0.0565744   0.211784    121 LYS   B HE2  
3495 H HE3  . LYS   B 109 ? 0.881179 0.663998 0.623185 0.0711635   0.047215    0.203691    121 LYS   B HE3  
3496 H HZ1  . LYS   B 109 ? 1.00954  0.764027 0.690567 0.0674938   0.103432    0.258986    121 LYS   B HZ1  
3497 H HZ2  . LYS   B 109 ? 0.976977 0.7206   0.710019 0.0539196   0.0898326   0.24914     121 LYS   B HZ2  
3498 H HZ3  . LYS   B 109 ? 1.02167  0.748452 0.690894 0.0844147   0.0721311   0.255028    121 LYS   B HZ3  
3499 N N    . ILE   B 110 ? 0.526873 0.487695 0.318027 0.0515633   0.107037    0.143544    122 ILE   B N    
3500 C CA   . ILE   B 110 ? 0.481204 0.466608 0.306103 0.0469626   0.0970448   0.120819    122 ILE   B CA   
3501 C C    . ILE   B 110 ? 0.479269 0.489064 0.289535 0.0588981   0.107963    0.113267    122 ILE   B C    
3502 O O    . ILE   B 110 ? 0.454291 0.454992 0.219542 0.078106    0.101773    0.109265    122 ILE   B O    
3503 C CB   . ILE   B 110 ? 0.475403 0.448565 0.297466 0.0532127   0.0676875   0.102755    122 ILE   B CB   
3504 C CG1  . ILE   B 110 ? 0.480135 0.426585 0.303071 0.0505919   0.0538774   0.108946    122 ILE   B CG1  
3505 C CG2  . ILE   B 110 ? 0.490872 0.484805 0.351159 0.0444227   0.0617555   0.0845833   122 ILE   B CG2  
3506 C CD1  . ILE   B 110 ? 0.512228 0.45977  0.380911 0.0308018   0.0582658   0.11096     122 ILE   B CD1  
3507 H H    . ILE   B 110 ? 0.558674 0.508298 0.312501 0.0659859   0.101668    0.145274    122 ILE   B H    
3508 H HA   . ILE   B 110 ? 0.462944 0.457986 0.323607 0.0325698   0.102385    0.12082     122 ILE   B HA   
3509 H HB   . ILE   B 110 ? 0.496968 0.466683 0.289499 0.0668642   0.0616336   0.097896    122 ILE   B HB   
3510 H HG12 . ILE   B 110 ? 0.527834 0.459689 0.32383  0.0574616   0.058561    0.122706    122 ILE   B HG12 
3511 H HG13 . ILE   B 110 ? 0.482051 0.424393 0.301619 0.056365    0.0367126   0.0969792   122 ILE   B HG13 
3512 H HG21 . ILE   B 110 ? 0.454222 0.439766 0.318937 0.0443194   0.0465774   0.0755534   122 ILE   B HG21 
3513 H HG22 . ILE   B 110 ? 0.457331 0.460455 0.345314 0.0323584   0.0700524   0.088028    122 ILE   B HG22 
3514 H HG23 . ILE   B 110 ? 0.469324 0.475184 0.321476 0.0517066   0.0646793   0.078243    122 ILE   B HG23 
3515 H HD11 . ILE   B 110 ? 0.462783 0.420844 0.352749 0.0263284   0.0500818   0.0968981   122 ILE   B HD11 
3516 H HD12 . ILE   B 110 ? 0.506847 0.435279 0.372736 0.0310548   0.0524823   0.11732     122 ILE   B HD12 
3517 H HD13 . ILE   B 110 ? 0.499489 0.455763 0.379343 0.0227668   0.074809    0.119337    122 ILE   B HD13 
3518 N N    . PRO   B 111 ? 0.453017 0.49452  0.302041 0.0497883   0.120948    0.107766    123 PRO   B N    
3519 C CA   . PRO   B 111 ? 0.445463 0.51151  0.284505 0.0637878   0.130226    0.0984681   123 PRO   B CA   
3520 C C    . PRO   B 111 ? 0.394512 0.458264 0.229221 0.0748547   0.106757    0.0757091   123 PRO   B C    
3521 O O    . PRO   B 111 ? 0.383395 0.432206 0.229485 0.0686095   0.086464    0.0676646   123 PRO   B O    
3522 C CB   . PRO   B 111 ? 0.441731 0.542701 0.329874 0.0489122   0.152031    0.102842    123 PRO   B CB   
3523 C CG   . PRO   B 111 ? 0.431518 0.527531 0.361931 0.0287407   0.139467    0.100181    123 PRO   B CG   
3524 C CD   . PRO   B 111 ? 0.447663 0.503858 0.351944 0.0276556   0.126238    0.108632    123 PRO   B CD   
3525 H HA   . PRO   B 111 ? 0.478    0.537663 0.282229 0.0747289   0.139084    0.105856    123 PRO   B HA   
3526 H HB2  . PRO   B 111 ? 0.434694 0.557418 0.333312 0.0556999   0.153034    0.0917373   123 PRO   B HB2  
3527 H HB3  . PRO   B 111 ? 0.472236 0.57565  0.354049 0.0460994   0.171811    0.117504    123 PRO   B HB3  
3528 H HG2  . PRO   B 111 ? 0.399954 0.503862 0.344497 0.0303483   0.125876    0.0858013   123 PRO   B HG2  
3529 H HG3  . PRO   B 111 ? 0.427218 0.53768  0.387708 0.0156816   0.153229    0.106684    123 PRO   B HG3  
3530 H HD2  . PRO   B 111 ? 0.416465 0.466088 0.334194 0.0235365   0.109913    0.0990908   123 PRO   B HD2  
3531 H HD3  . PRO   B 111 ? 0.459441 0.506867 0.367812 0.0186345   0.137549    0.123102    123 PRO   B HD3  
3532 N N    . SER   B 112 ? 0.409323 0.48705  0.227599 0.0917511   0.11169     0.065584    124 SER   B N    
3533 C CA   . SER   B 112 ? 0.371183 0.444708 0.186973 0.102542    0.0930047   0.0451068   124 SER   B CA   
3534 C C    . SER   B 112 ? 0.367692 0.453719 0.229381 0.0898864   0.0848081   0.0381335   124 SER   B C    
3535 O O    . SER   B 112 ? 0.345806 0.459038 0.243073 0.0801371   0.0973769   0.0427822   124 SER   B O    
3536 C CB   . SER   B 112 ? 0.415621 0.503961 0.210504 0.123255    0.103839    0.0366846   124 SER   B CB   
3537 O OG   . SER   B 112 ? 0.390108 0.47309  0.188043 0.133606    0.0874534   0.0174566   124 SER   B OG   
3538 H H    . SER   B 112 ? 0.426094 0.51511  0.233863 0.0970317   0.128509    0.0721526   124 SER   B H    
3539 H HA   . SER   B 112 ? 0.390652 0.441294 0.186322 0.105574    0.0780623   0.040962    124 SER   B HA   
3540 H HB2  . SER   B 112 ? 0.438419 0.514545 0.197726 0.133097    0.105514    0.038745    124 SER   B HB2  
3541 H HB3  . SER   B 112 ? 0.407819 0.521334 0.221895 0.120751    0.121204    0.0422425   124 SER   B HB3  
3543 N N    . ASN   B 113 ? 0.328696 0.393812 0.188496 0.0896116   0.0635823   0.0270753   125 ASN   B N    
3544 C CA   . ASN   B 113 ? 0.34472  0.417175 0.234765 0.0835699   0.0548028   0.0192557   125 ASN   B CA   
3545 C C    . ASN   B 113 ? 0.306568 0.390549 0.23189  0.0637926   0.0576681   0.0268361   125 ASN   B C    
3546 O O    . ASN   B 113 ? 0.319846 0.427281 0.275872 0.0601618   0.0586463   0.0225815   125 ASN   B O    
3547 C CB   . ASN   B 113 ? 0.332003 0.427691 0.231389 0.0975654   0.0597977   0.0107296   125 ASN   B CB   
3548 C CG   . ASN   B 113 ? 0.394541 0.471736 0.261238 0.117628    0.0528254   -0.00075547 125 ASN   B CG   
3549 O OD1  . ASN   B 113 ? 0.475419 0.569676 0.339179 0.134027    0.0610216   -0.00668522 125 ASN   B OD1  
3550 N ND2  . ASN   B 113 ? 0.441364 0.484762 0.286814 0.115976    0.0379748   -0.00514964 125 ASN   B ND2  
3551 H H    . ASN   B 113 ? 0.353351 0.398982 0.191802 0.0934936   0.0544934   0.0244434   125 ASN   B H    
3552 H HA   . ASN   B 113 ? 0.327557 0.38025  0.208596 0.0841559   0.0420612   0.0133132   125 ASN   B HA   
3553 H HB2  . ASN   B 113 ? 0.349091 0.4672   0.258535 0.0978534   0.0739331   0.0155669   125 ASN   B HB2  
3554 H HB3  . ASN   B 113 ? 0.32709  0.428182 0.245657 0.0938108   0.0534282   0.00721025  125 ASN   B HB3  
3555 H HD21 . ASN   B 113 ? 0.444567 0.475179 0.269599 0.126294    0.0339652   -0.0120996  125 ASN   B HD21 
3556 H HD22 . ASN   B 113 ? 0.411963 0.446252 0.265348 0.104965    0.0317302   -0.00259526 125 ASN   B HD22 
3557 N N    . ALA   B 114 ? 0.297819 0.365987 0.218903 0.0532755   0.0577047   0.0363385   126 ALA   B N    
3558 C CA   . ALA   B 114 ? 0.317719 0.391817 0.270773 0.0352815   0.060533    0.0422822   126 ALA   B CA   
3559 C C    . ALA   B 114 ? 0.310398 0.372318 0.274949 0.0283491   0.0441441   0.0332063   126 ALA   B C    
3560 O O    . ALA   B 114 ? 0.28781  0.327125 0.234246 0.0313522   0.0330472   0.029819    126 ALA   B O    
3561 C CB   . ALA   B 114 ? 0.326495 0.386104 0.269645 0.0290597   0.0690293   0.0576297   126 ALA   B CB   
3562 H H    . ALA   B 114 ? 0.32223  0.374753 0.22026  0.0582411   0.054714    0.0381892   126 ALA   B H    
3563 H HA   . ALA   B 114 ? 0.307098 0.403712 0.282029 0.0323006   0.068391    0.0417399   126 ALA   B HA   
3564 H HB1  . ALA   B 114 ? 0.348312 0.41603  0.282381 0.0332788   0.0819772   0.0647147   126 ALA   B HB1  
3565 H HB2  . ALA   B 114 ? 0.335999 0.376064 0.25883  0.0335867   0.0598457   0.0572724   126 ALA   B HB2  
3566 H HB3  . ALA   B 114 ? 0.322221 0.383067 0.287956 0.0169633   0.070748    0.0607545   126 ALA   B HB3  
3567 N N    . THR   B 115 ? 0.292331 0.371321 0.288896 0.0185841   0.0433613   0.0286162   127 THR   B N    
3568 C CA   . THR   B 115 ? 0.247988 0.316079 0.255371 0.00987917  0.0320974   0.0222446   127 THR   B CA   
3569 C C    . THR   B 115 ? 0.268685 0.325776 0.290031 -0.0036     0.0351748   0.0291131   127 THR   B C    
3570 O O    . THR   B 115 ? 0.273547 0.341403 0.31466  -0.0123198  0.0459335   0.0359627   127 THR   B O    
3571 C CB   . THR   B 115 ? 0.265524 0.355614 0.294177 0.00936402  0.0272487   0.0120987   127 THR   B CB   
3572 O OG1  . THR   B 115 ? 0.245146 0.332641 0.252672 0.0243739   0.0219665   0.00745077  127 THR   B OG1  
3573 C CG2  . THR   B 115 ? 0.279296 0.359552 0.314409 0.00216965  0.0167051   0.00411862  127 THR   B CG2  
3574 H H    . THR   B 115 ? 0.285444 0.384552 0.297339 0.0180963   0.0499121   0.0284135   127 THR   B H    
3575 H HA   . THR   B 115 ? 0.261386 0.314429 0.252158 0.014631    0.0252762   0.019339    127 THR   B HA   
3576 H HB   . THR   B 115 ? 0.25975  0.369934 0.308528 0.0058246   0.033453    0.0128153   127 THR   B HB   
3578 H HG21 . THR   B 115 ? 0.269772 0.363374 0.313191 0.00430525  0.0119181   -0.00279168 127 THR   B HG21 
3579 H HG22 . THR   B 115 ? 0.272715 0.336163 0.290045 0.00573702  0.0127827   0.00365185  127 THR   B HG22 
3580 H HG23 . THR   B 115 ? 0.272426 0.349782 0.320825 -0.00736146 0.0188702   0.00593331  127 THR   B HG23 
3581 N N    . LEU   B 116 ? 0.258974 0.294668 0.273311 -0.00538468 0.0263837   0.0267079   128 LEU   B N    
3582 C CA   . LEU   B 116 ? 0.296068 0.315634 0.320222 -0.0139354  0.0266563   0.032049    128 LEU   B CA   
3583 C C    . LEU   B 116 ? 0.295418 0.313457 0.338771 -0.0213611  0.0190454   0.0199351   128 LEU   B C    
3584 O O    . LEU   B 116 ? 0.267875 0.288429 0.304632 -0.017271   0.0123774   0.00988169  128 LEU   B O    
3585 C CB   . LEU   B 116 ? 0.33175  0.329221 0.333197 -0.00633576 0.0214528   0.0376276   128 LEU   B CB   
3586 C CG   . LEU   B 116 ? 0.421167 0.415813 0.392607 0.00554766  0.024169    0.0454525   128 LEU   B CG   
3587 C CD1  . LEU   B 116 ? 0.408518 0.381583 0.364521 0.0116116   0.0156412   0.0501125   128 LEU   B CD1  
3588 C CD2  . LEU   B 116 ? 0.41436  0.419575 0.384903 0.00412355  0.0397125   0.0571933   128 LEU   B CD2  
3589 H H    . LEU   B 116 ? 0.261537 0.292105 0.265549 -0.00058415 0.0201916   0.0212543   128 LEU   B H    
3590 H HA   . LEU   B 116 ? 0.305296 0.328988 0.339455 -0.0193345  0.0350019   0.0392866   128 LEU   B HA   
3591 H HB2  . LEU   B 116 ? 0.330699 0.324676 0.33093  -0.00447174 0.0139158   0.0295417   128 LEU   B HB2  
3592 H HB3  . LEU   B 116 ? 0.349952 0.336584 0.357921 -0.0103894  0.0223107   0.042872    128 LEU   B HB3  
3593 H HG   . LEU   B 116 ? 0.390243 0.389611 0.353571 0.0109781   0.020279    0.0383053   128 LEU   B HG   
3594 H HD11 . LEU   B 116 ? 0.403977 0.373932 0.367684 0.010914    0.00710871  0.041642    128 LEU   B HD11 
3595 H HD12 . LEU   B 116 ? 0.428842 0.399235 0.363007 0.0206009   0.0141998   0.0522656   128 LEU   B HD12 
3596 H HD13 . LEU   B 116 ? 0.428214 0.39316  0.388619 0.00798971  0.0198322   0.0589137   128 LEU   B HD13 
3597 H HD21 . LEU   B 116 ? 0.410171 0.432376 0.38907  0.00386239  0.0431064   0.052225    128 LEU   B HD21 
3598 H HD22 . LEU   B 116 ? 0.42595  0.427483 0.411072 -0.00443775 0.0448014   0.0632851   128 LEU   B HD22 
3599 H HD23 . LEU   B 116 ? 0.438975 0.437887 0.386312 0.0124252   0.0418646   0.0635583   128 LEU   B HD23 
3600 N N    . PHE   B 117 ? 0.282781 0.292151 0.345793 -0.0312186  0.0210975   0.0220158   129 PHE   B N    
3601 C CA   . PHE   B 117 ? 0.253913 0.257514 0.33379  -0.0372029  0.0142437   0.00949172  129 PHE   B CA   
3602 C C    . PHE   B 117 ? 0.282372 0.260104 0.363297 -0.0372747  0.0125457   0.0142173   129 PHE   B C    
3603 O O    . PHE   B 117 ? 0.277509 0.240643 0.358239 -0.0393677  0.0184093   0.0286641   129 PHE   B O    
3604 C CB   . PHE   B 117 ? 0.258762 0.276397 0.368306 -0.0490287  0.0156672   0.00252136  129 PHE   B CB   
3605 C CG   . PHE   B 117 ? 0.283971 0.292246 0.409582 -0.0546579  0.00768347  -0.0127128  129 PHE   B CG   
3606 C CD1  . PHE   B 117 ? 0.304878 0.289673 0.445753 -0.0620351  0.0093475   -0.00956395 129 PHE   B CD1  
3607 C CD2  . PHE   B 117 ? 0.280319 0.299691 0.400336 -0.050078   -0.00125428 -0.0297019  129 PHE   B CD2  
3608 C CE1  . PHE   B 117 ? 0.345962 0.320329 0.499278 -0.0644925  0.00130608  -0.0265789  129 PHE   B CE1  
3609 C CE2  . PHE   B 117 ? 0.320345 0.331655 0.449224 -0.0525455  -0.00807597 -0.0455194  129 PHE   B CE2  
3610 C CZ   . PHE   B 117 ? 0.308995 0.298517 0.456195 -0.0597753  -0.00716076 -0.0456383  129 PHE   B CZ   
3611 H H    . PHE   B 117 ? 0.294107 0.299207 0.358917 -0.033951   0.0277234   0.031845    129 PHE   B H    
3612 H HA   . PHE   B 117 ? 0.252663 0.260116 0.324353 -0.0325797  0.00921732  0.00121762  129 PHE   B HA   
3613 H HB2  . PHE   B 117 ? 0.254549 0.290676 0.364206 -0.0466982  0.0142798   -0.00239749 129 PHE   B HB2  
3614 H HB3  . PHE   B 117 ? 0.273902 0.289004 0.392896 -0.0549319  0.0232417   0.0121793   129 PHE   B HB3  
3615 H HD1  . PHE   B 117 ? 0.322576 0.296378 0.462479 -0.0638107  0.015769    0.00390083  129 PHE   B HD1  
3616 H HD2  . PHE   B 117 ? 0.278551 0.310051 0.386342 -0.0442076  -0.00239864 -0.0302475  129 PHE   B HD2  
3617 H HE1  . PHE   B 117 ? 0.345934 0.301872 0.510391 -0.0687523  0.0018549   -0.0252687  129 PHE   B HE1  
3618 H HE2  . PHE   B 117 ? 0.304655 0.323218 0.424912 -0.0481438  -0.0133258  -0.0563386  129 PHE   B HE2  
3619 H HZ   . PHE   B 117 ? 0.328972 0.311914 0.482151 -0.0604203  -0.0121297  -0.0582749  129 PHE   B HZ   
3620 N N    . PHE   B 118 ? 0.278631 0.249554 0.358894 -0.0331552  0.00528948  0.00299283  130 PHE   B N    
3621 C CA   . PHE   B 118 ? 0.319796 0.268377 0.407764 -0.0315347  0.00209679  0.00387155  130 PHE   B CA   
3622 C C    . PHE   B 118 ? 0.31152  0.257747 0.415539 -0.0339873  -0.00211945 -0.0140175  130 PHE   B C    
3623 O O    . PHE   B 118 ? 0.31386  0.274917 0.413404 -0.0326442  -0.00352973 -0.0270429  130 PHE   B O    
3624 C CB   . PHE   B 118 ? 0.291476 0.235898 0.363639 -0.0197258  -0.00283572 0.00692171  130 PHE   B CB   
3625 C CG   . PHE   B 118 ? 0.282981 0.223998 0.333846 -0.0130155  -0.0023812  0.0220526   130 PHE   B CG   
3626 C CD1  . PHE   B 118 ? 0.264137 0.220627 0.29897  -0.0102951  -0.0010147  0.0215774   130 PHE   B CD1  
3627 C CD2  . PHE   B 118 ? 0.30082  0.220754 0.343526 -0.00746751 -0.00378566 0.0362264   130 PHE   B CD2  
3628 C CE1  . PHE   B 118 ? 0.29417  0.247477 0.306647 -0.00253417 -0.00122761 0.0320536   130 PHE   B CE1  
3629 C CE2  . PHE   B 118 ? 0.325104 0.242164 0.340548 0.00173605  -0.00452498 0.0484589   130 PHE   B CE2  
3630 C CZ   . PHE   B 118 ? 0.349509 0.284129 0.350455 0.00359386  -0.00266701 0.0456034   130 PHE   B CZ   
3631 H H    . PHE   B 118 ? 0.272895 0.252612 0.34796  -0.0306382  0.00304024  -0.00480902 130 PHE   B H    
3632 H HA   . PHE   B 118 ? 0.323097 0.260564 0.415369 -0.0351398  0.0055507   0.0137177   130 PHE   B HA   
3633 H HB2  . PHE   B 118 ? 0.279027 0.23447  0.348284 -0.0182726  -0.00386102 -0.00134519 130 PHE   B HB2  
3634 H HB3  . PHE   B 118 ? 0.301059 0.234055 0.380823 -0.016679   -0.00649643 0.00453147  130 PHE   B HB3  
3635 H HD1  . PHE   B 118 ? 0.25723  0.224409 0.294937 -0.0128594  -0.00013317 0.0139045   130 PHE   B HD1  
3636 H HD2  . PHE   B 118 ? 0.317105 0.223318 0.370092 -0.00810179 -0.00530983 0.0366949   130 PHE   B HD2  
3637 H HE1  . PHE   B 118 ? 0.290146 0.251843 0.292177 1.108e-05   -0.00069122 0.0303588   130 PHE   B HE1  
3638 H HE2  . PHE   B 118 ? 0.354294 0.255745 0.35927  0.00698274  -0.00551332 0.059199    130 PHE   B HE2  
3639 H HZ   . PHE   B 118 ? 0.346014 0.278197 0.326988 0.0106629   -0.00341847 0.0521269   130 PHE   B HZ   
3640 N N    . GLU   B 119 ? 0.29548  0.219729 0.414117 -0.035414   -0.00394726 -0.0144101  131 GLU   B N    
3641 C CA   . GLU   B 119 ? 0.313687 0.22993  0.443724 -0.0317286  -0.00870781 -0.0314962  131 GLU   B CA   
3642 C C    . GLU   B 119 ? 0.37334  0.276232 0.500885 -0.0192159  -0.0124465  -0.02623    131 GLU   B C    
3643 O O    . GLU   B 119 ? 0.381975 0.263917 0.50706  -0.0161066  -0.0138408  -0.0102603  131 GLU   B O    
3644 C CB   . GLU   B 119 ? 0.367039 0.268172 0.518525 -0.0416361  -0.0100054  -0.0396023  131 GLU   B CB   
3645 C CG   . GLU   B 119 ? 0.383711 0.271906 0.547079 -0.0365847  -0.0153739  -0.0601659  131 GLU   B CG   
3646 C CD   . GLU   B 119 ? 0.392406 0.264698 0.577787 -0.0472849  -0.0187737  -0.0724138  131 GLU   B CD   
3647 O OE1  . GLU   B 119 ? 0.443438 0.330965 0.633946 -0.053906   -0.0223289  -0.0893699  131 GLU   B OE1  
3648 O OE2  . GLU   B 119 ? 0.413905 0.2535   0.612871 -0.0488047  -0.0192313  -0.0650796  131 GLU   B OE2  
3649 H H    . GLU   B 119 ? 0.320342 0.232645 0.441035 -0.0381859  -0.00138645 -0.00317225 131 GLU   B H    
3650 H HA   . GLU   B 119 ? 0.31381  0.244996 0.43857  -0.0300821  -0.00881221 -0.0418769  131 GLU   B HA   
3651 H HB2  . GLU   B 119 ? 0.352913 0.267975 0.507505 -0.0487406  -0.00941267 -0.0444723  131 GLU   B HB2  
3652 H HB3  . GLU   B 119 ? 0.374591 0.259365 0.530644 -0.0448893  -0.00781801 -0.0269434  131 GLU   B HB3  
3653 H HG2  . GLU   B 119 ? 0.388213 0.262622 0.552162 -0.0287515  -0.0165913  -0.0556918  131 GLU   B HG2  
3654 H HG3  . GLU   B 119 ? 0.367994 0.271981 0.523461 -0.0322983  -0.0156332  -0.0714051  131 GLU   B HG3  
3655 N N    . ILE   B 120 ? 0.353494 0.26852  0.4824   -0.0112756  -0.0138284  -0.0397116  132 ILE   B N    
3656 C CA   . ILE   B 120 ? 0.344191 0.255744 0.47879  0.00142111  -0.0188164  -0.0396141  132 ILE   B CA   
3657 C C    . ILE   B 120 ? 0.343739 0.25465  0.496376 0.00825406  -0.0190791  -0.0590383  132 ILE   B C    
3658 O O    . ILE   B 120 ? 0.313946 0.240203 0.465333 0.00540031  -0.0128475  -0.0734747  132 ILE   B O    
3659 C CB   . ILE   B 120 ? 0.297421 0.23122  0.422768 0.00431188  -0.018094   -0.0378728  132 ILE   B CB   
3660 C CG1  . ILE   B 120 ? 0.292704 0.227312 0.39716  -0.00011232 -0.0176845  -0.0213955  132 ILE   B CG1  
3661 C CG2  . ILE   B 120 ? 0.293807 0.230178 0.433191 0.0171302   -0.0256169  -0.0412765  132 ILE   B CG2  
3662 C CD1  . ILE   B 120 ? 0.322222 0.274413 0.416148 0.00056292  -0.0170856  -0.021657   132 ILE   B CD1  
3663 H H    . ILE   B 120 ? 0.34303  0.27015  0.470069 -0.0136051  -0.0112878  -0.0495065  132 ILE   B H    
3664 H HA   . ILE   B 120 ? 0.355153 0.25059  0.488574 0.00464439  -0.0227124  -0.028752   132 ILE   B HA   
3665 H HB   . ILE   B 120 ? 0.289916 0.236497 0.414763 0.00103389  -0.0127645  -0.0468041  132 ILE   B HB   
3666 H HG12 . ILE   B 120 ? 0.316679 0.238536 0.417485 0.0042655   -0.0219438  -0.0115319  132 ILE   B HG12 
3667 H HG13 . ILE   B 120 ? 0.301852 0.236326 0.403081 -0.00740132 -0.0134857  -0.0202347  132 ILE   B HG13 
3668 H HG21 . ILE   B 120 ? 0.287912 0.234988 0.4224   0.0178746   -0.0272812  -0.0384126  132 ILE   B HG21 
3669 H HG22 . ILE   B 120 ? 0.313284 0.23325  0.453467 0.0229074   -0.0318298  -0.0345174  132 ILE   B HG22 
3670 H HG23 . ILE   B 120 ? 0.294729 0.238644 0.44776  0.019438    -0.0227968  -0.0536715  132 ILE   B HG23 
3671 H HD11 . ILE   B 120 ? 0.297912 0.259994 0.393645 -0.00304105 -0.0120037  -0.0298105  132 ILE   B HD11 
3672 H HD12 . ILE   B 120 ? 0.307107 0.258683 0.387226 -0.0014062  -0.0163166  -0.0129704  132 ILE   B HD12 
3673 H HD13 . ILE   B 120 ? 0.30952  0.263221 0.408787 0.0069749   -0.0225784  -0.0228143  132 ILE   B HD13 
3674 N N    . GLU   B 121 ? 0.345736 0.23701  0.511604 0.0193007   -0.0263062  -0.0581597  133 GLU   B N    
3675 C CA   . GLU   B 121 ? 0.331592 0.224386 0.517398 0.0307624   -0.0272915  -0.0767708  133 GLU   B CA   
3676 C C    . GLU   B 121 ? 0.336646 0.245891 0.534207 0.0441343   -0.0326078  -0.0765693  133 GLU   B C    
3677 O O    . GLU   B 121 ? 0.390568 0.286168 0.586532 0.0534708   -0.0438473  -0.0632366  133 GLU   B O    
3678 C CB   . GLU   B 121 ? 0.356992 0.214667 0.553929 0.035154    -0.0327112  -0.0804552  133 GLU   B CB   
3679 C CG   . GLU   B 121 ? 0.40083  0.260619 0.618379 0.049652    -0.033317   -0.102731   133 GLU   B CG   
3680 C CD   . GLU   B 121 ? 0.438921 0.259702 0.669425 0.0577183   -0.0402681  -0.109081   133 GLU   B CD   
3681 O OE1  . GLU   B 121 ? 0.466979 0.256811 0.691166 0.0470329   -0.042546   -0.0966841  133 GLU   B OE1  
3682 O OE2  . GLU   B 121 ? 0.415581 0.236099 0.663824 0.0736772   -0.0422105  -0.126337   133 GLU   B OE2  
3683 H H    . GLU   B 121 ? 0.356853 0.232868 0.51798  0.0208346   -0.0304276  -0.0452155  133 GLU   B H    
3684 H HA   . GLU   B 121 ? 0.327736 0.235046 0.512935 0.0270943   -0.0204963  -0.0889327  133 GLU   B HA   
3685 H HB2  . GLU   B 121 ? 0.369397 0.219282 0.562357 0.0246532   -0.0299578  -0.0821087  133 GLU   B HB2  
3686 H HB3  . GLU   B 121 ? 0.379992 0.219771 0.574456 0.0393246   -0.0385861  -0.0664187  133 GLU   B HB3  
3687 H HG2  . GLU   B 121 ? 0.386714 0.26008  0.612236 0.0594041   -0.035687   -0.10233    133 GLU   B HG2  
3688 H HG3  . GLU   B 121 ? 0.383066 0.259198 0.59889  0.045749    -0.0261052  -0.115996   133 GLU   B HG3  
3689 N N    . LEU   B 122 ? 0.329892 0.26875  0.53981  0.0455515   -0.0243817  -0.0921196  134 LEU   B N    
3690 C CA   . LEU   B 122 ? 0.345453 0.307242 0.578719 0.0567332   -0.0283693  -0.097463   134 LEU   B CA   
3691 C C    . LEU   B 122 ? 0.351882 0.307789 0.612414 0.0749309   -0.0343586  -0.110853   134 LEU   B C    
3692 O O    . LEU   B 122 ? 0.347053 0.310105 0.619424 0.0779951   -0.0244322  -0.128685   134 LEU   B O    
3693 C CB   . LEU   B 122 ? 0.323144 0.319787 0.563564 0.0487511   -0.0138176  -0.106771   134 LEU   B CB   
3694 C CG   . LEU   B 122 ? 0.294267 0.320233 0.568209 0.0563105   -0.0169667  -0.114054   134 LEU   B CG   
3695 C CD1  . LEU   B 122 ? 0.285508 0.303353 0.554795 0.0618334   -0.0376275  -0.100071   134 LEU   B CD1  
3696 C CD2  . LEU   B 122 ? 0.301378 0.355158 0.579328 0.0430033   0.00122255  -0.118829   134 LEU   B CD2  
3697 H H    . LEU   B 122 ? 0.326588 0.272462 0.531204 0.0394337   -0.015858   -0.0996973  134 LEU   B H    
3698 H HA   . LEU   B 122 ? 0.338009 0.295576 0.565345 0.0585805   -0.0375113  -0.0857908  134 LEU   B HA   
3699 H HB2  . LEU   B 122 ? 0.307296 0.303833 0.529072 0.0386943   -0.0112666  -0.0978035  134 LEU   B HB2  
3700 H HB3  . LEU   B 122 ? 0.321855 0.322113 0.563315 0.0480536   -0.00378759 -0.117519   134 LEU   B HB3  
3701 H HG   . LEU   B 122 ? 0.310535 0.341133 0.605845 0.0671367   -0.0177377  -0.124997   134 LEU   B HG   
3702 H HD11 . LEU   B 122 ? 0.305532 0.308655 0.578083 0.073535    -0.048254   -0.098463   134 LEU   B HD11 
3703 H HD12 . LEU   B 122 ? 0.281555 0.3208   0.56947  0.0624772   -0.0398803  -0.104992   134 LEU   B HD12 
3704 H HD13 . LEU   B 122 ? 0.284898 0.290753 0.528851 0.0536648   -0.0375894  -0.0886044  134 LEU   B HD13 
3705 H HD21 . LEU   B 122 ? 0.297646 0.352523 0.569223 0.0405638   0.0140037   -0.12522    134 LEU   B HD21 
3706 H HD22 . LEU   B 122 ? 0.28582  0.334383 0.544781 0.0341894   0.0002583   -0.108576   134 LEU   B HD22 
3707 H HD23 . LEU   B 122 ? 0.290942 0.36581  0.596689 0.0462119   0.00114867  -0.125849   134 LEU   B HD23 
3708 N N    . LEU   B 123 ? 0.381202 0.323408 0.649508 0.0898211   -0.0514065  -0.102742   135 LEU   B N    
3709 C CA   . LEU   B 123 ? 0.437167 0.366745 0.729031 0.110421    -0.0600487  -0.113425   135 LEU   B CA   
3710 C C    . LEU   B 123 ? 0.453044 0.424398 0.784355 0.123283    -0.0607183  -0.131071   135 LEU   B C    
3711 O O    . LEU   B 123 ? 0.456845 0.43963  0.814969 0.13433     -0.0540139  -0.151381   135 LEU   B O    
3712 C CB   . LEU   B 123 ? 0.449628 0.34096  0.7263   0.122183    -0.0785081  -0.0935667  135 LEU   B CB   
3713 C CG   . LEU   B 123 ? 0.439765 0.292101 0.682537 0.107302    -0.0749671  -0.0737662  135 LEU   B CG   
3714 C CD1  . LEU   B 123 ? 0.49534  0.311505 0.717205 0.118679    -0.0896444  -0.0495005  135 LEU   B CD1  
3715 C CD2  . LEU   B 123 ? 0.495021 0.323871 0.743922 0.102375    -0.0667924  -0.0861187  135 LEU   B CD2  
3716 H H    . LEU   B 123 ? 0.382242 0.321956 0.639149 0.0886638   -0.0584156  -0.0904345  135 LEU   B H    
3717 H HA   . LEU   B 123 ? 0.440474 0.358671 0.732166 0.108598    -0.0529575  -0.122271   135 LEU   B HA   
3718 H HB2  . LEU   B 123 ? 0.442684 0.346716 0.718158 0.126357    -0.0870215  -0.0870746  135 LEU   B HB2  
3719 H HB3  . LEU   B 123 ? 0.470945 0.349933 0.762275 0.137303    -0.0850479  -0.100156   135 LEU   B HB3  
3720 H HG   . LEU   B 123 ? 0.431437 0.298154 0.661531 0.0931553   -0.0677428  -0.0693917  135 LEU   B HG   
3721 H HD11 . LEU   B 123 ? 0.482909 0.315363 0.70118  0.124645    -0.0972771  -0.0451898  135 LEU   B HD11 
3722 H HD12 . LEU   B 123 ? 0.495809 0.292422 0.697815 0.106767    -0.0841744  -0.0360595  135 LEU   B HD12 
3723 H HD13 . LEU   B 123 ? 0.516982 0.312753 0.748329 0.132572    -0.0967607  -0.0519107  135 LEU   B HD13 
3724 H HD21 . LEU   B 123 ? 0.462257 0.311841 0.713794 0.0930086   -0.0565924  -0.0979725  135 LEU   B HD21 
3725 H HD22 . LEU   B 123 ? 0.502195 0.322479 0.767378 0.117094    -0.0722625  -0.0953815  135 LEU   B HD22 
3726 H HD23 . LEU   B 123 ? 0.497771 0.299084 0.731741 0.0944199   -0.0665575  -0.0735837  135 LEU   B HD23 
3727 N N    . ASP   B 124 ? 0.429247 0.425903 0.767042 0.121662    -0.0683443  -0.125363   136 ASP   B N    
3728 C CA   . ASP   B 124 ? 0.418963 0.4584   0.802794 0.132812    -0.0715658  -0.142568   136 ASP   B CA   
3729 C C    . ASP   B 124 ? 0.377456 0.442564 0.762762 0.121332    -0.0760394  -0.137091   136 ASP   B C    
3730 O O    . ASP   B 124 ? 0.35526  0.399165 0.70294  0.112244    -0.0817656  -0.119105   136 ASP   B O    
3731 C CB   . ASP   B 124 ? 0.484834 0.514601 0.891918 0.161841    -0.0922633  -0.148206   136 ASP   B CB   
3732 C CG   . ASP   B 124 ? 0.462902 0.539059 0.928278 0.176803    -0.0912192  -0.173178   136 ASP   B CG   
3733 O OD1  . ASP   B 124 ? 0.407719 0.525071 0.8971   0.16197     -0.0707221  -0.185701   136 ASP   B OD1  
3734 O OD2  . ASP   B 124 ? 0.551007 0.621635 1.03815  0.203531    -0.109558   -0.179469   136 ASP   B OD2  
3735 H H    . ASP   B 124 ? 0.424028 0.412199 0.739733 0.113726    -0.0717314  -0.112109   136 ASP   B H    
3736 H HA   . ASP   B 124 ? 0.413246 0.471073 0.812474 0.128444    -0.0554735  -0.155557   136 ASP   B HA   
3737 H HB2  . ASP   B 124 ? 0.491237 0.49115  0.885727 0.166822    -0.09142    -0.14623    136 ASP   B HB2  
3738 H HB3  . ASP   B 124 ? 0.481557 0.501687 0.877427 0.168181    -0.109101   -0.136916   136 ASP   B HB3  
3739 N N    . PHE   B 125 ? 0.367621 0.478501 0.798924 0.121651    -0.0729013  -0.153859   137 PHE   B N    
3740 C CA   . PHE   B 125 ? 0.344171 0.47955  0.787421 0.113602    -0.0825957  -0.153293   137 PHE   B CA   
3741 C C    . PHE   B 125 ? 0.340424 0.524607 0.849454 0.124003    -0.0888387  -0.175369   137 PHE   B C    
3742 O O    . PHE   B 125 ? 0.336349 0.540757 0.879439 0.130759    -0.0749237  -0.190524   137 PHE   B O    
3743 C CB   . PHE   B 125 ? 0.311557 0.450414 0.734775 0.0861944   -0.0606791  -0.147276   137 PHE   B CB   
3744 C CG   . PHE   B 125 ? 0.324084 0.484696 0.765406 0.0734192   -0.0294276  -0.158172   137 PHE   B CG   
3745 C CD1  . PHE   B 125 ? 0.354634 0.493542 0.766568 0.0712359   -0.0127069  -0.155641   137 PHE   B CD1  
3746 C CD2  . PHE   B 125 ? 0.355183 0.555677 0.838542 0.0621054   -0.0161354  -0.169891   137 PHE   B CD2  
3747 C CE1  . PHE   B 125 ? 0.383944 0.54075  0.802947 0.0620357   0.0157383   -0.164921   137 PHE   B CE1  
3748 C CE2  . PHE   B 125 ? 0.419331 0.63739  0.913313 0.051272    0.0160959   -0.177104   137 PHE   B CE2  
3749 C CZ   . PHE   B 125 ? 0.380958 0.576284 0.838295 0.0524519   0.0316239   -0.174047   137 PHE   B CZ   
3750 H H    . PHE   B 125 ? 0.365828 0.49363  0.823628 0.126639    -0.0640106  -0.167068   137 PHE   B H    
3751 H HA   . PHE   B 125 ? 0.35524  0.47125  0.776025 0.120669    -0.100699   -0.142546   137 PHE   B HA   
3752 H HB2  . PHE   B 125 ? 0.313525 0.466335 0.746567 0.0810663   -0.0680565  -0.148271   137 PHE   B HB2  
3753 H HB3  . PHE   B 125 ? 0.321209 0.431422 0.705327 0.0819373   -0.0604368  -0.133824   137 PHE   B HB3  
3754 H HD1  . PHE   B 125 ? 0.364448 0.475865 0.75101  0.0765267   -0.0209598  -0.147983   137 PHE   B HD1  
3755 H HD2  . PHE   B 125 ? 0.35509  0.572086 0.862453 0.0627488   -0.0287815  -0.174089   137 PHE   B HD2  
3756 H HE1  . PHE   B 125 ? 0.384276 0.526305 0.781428 0.0624648   0.0245751   -0.165116   137 PHE   B HE1  
3757 H HE2  . PHE   B 125 ? 0.386182 0.631151 0.910916 0.0424257   0.0274983   -0.183896   137 PHE   B HE2  
3758 H HZ   . PHE   B 125 ? 0.392452 0.59855  0.851247 0.0465026   0.0532572   -0.178598   137 PHE   B HZ   
3759 N N    . LYS   B 126 ? 0.342082 0.545151 0.869589 0.128136    -0.112022   -0.178815   138 LYS   B N    
3760 C CA   . LYS   B 126 ? 0.342518 0.592167 0.936197 0.142933    -0.127138   -0.200781   138 LYS   B CA   
3761 C C    . LYS   B 126 ? 0.328649 0.605499 0.942975 0.128532    -0.1381     -0.207035   138 LYS   B C    
3762 O O    . LYS   B 126 ? 0.354868 0.604046 0.922407 0.121691    -0.148912   -0.192713   138 LYS   B O    
3763 C CB   . LYS   B 126 ? 0.359756 0.595565 0.955506 0.178039    -0.157255   -0.201799   138 LYS   B CB   
3764 H H    . LYS   B 126 ? 0.340878 0.528388 0.839421 0.122105    -0.119565   -0.168314   138 LYS   B H    
3765 H HA   . LYS   B 126 ? 0.331267 0.60531  0.957879 0.138318    -0.107572   -0.212392   138 LYS   B HA   
3768 N N    . GLY   B 127 ? 0.368755 0.700824 1.05641  0.124259    -0.1357     -0.230152   139 GLY   B N    
3769 C CA   . GLY   B 127 ? 0.385579 0.74469  1.10213  0.105741    -0.143028   -0.239597   139 GLY   B CA   
3770 C C    . GLY   B 127 ? 0.440906 0.801155 1.15501  0.125332    -0.188699   -0.245041   139 GLY   B C    
3771 O O    . GLY   B 127 ? 0.484793 0.855548 1.21783  0.154669    -0.213547   -0.253075   139 GLY   B O    
3772 H H    . GLY   B 127 ? 0.361648 0.715305 1.08427  0.132711    -0.129057   -0.241164   139 GLY   B H    
3773 H HA2  . GLY   B 127 ? 0.37792  0.715963 1.06106  0.0874472   -0.129041   -0.228006   139 GLY   B HA2  
3774 H HA3  . GLY   B 127 ? 0.377973 0.776241 1.15012  0.0978168   -0.130805   -0.254968   139 GLY   B HA3  
3775 N N    . GLU   B 128 ? 0.481505 0.830567 1.17145  0.111175    -0.200134   -0.241971   140 GLU   B N    
3776 C CA   . GLU   B 128 ? 0.533649 0.89205  1.2273   0.126373    -0.243013   -0.253336   140 GLU   B CA   
3777 C C    . GLU   B 128 ? 0.571107 0.984886 1.34466  0.146222    -0.267945   -0.281111   140 GLU   B C    
3778 O O    . GLU   B 128 ? 0.605856 1.05952  1.44494  0.140826    -0.245901   -0.294597   140 GLU   B O    
3779 C CB   . GLU   B 128 ? 0.460224 0.822407 1.15568  0.10236     -0.24716    -0.260836   140 GLU   B CB   
3780 O OXT  . GLU   B 128 ? 0.596689 1.01389  1.36395  0.168754    -0.31005    -0.289492   140 GLU   B OXT  
3781 H H    . GLU   B 128 ? 0.465203 0.799062 1.13335  0.0920566   -0.180563   -0.23303    140 GLU   B H    
3782 H HA   . GLU   B 128 ? 0.537118 0.862088 1.17792  0.143245    -0.257806   -0.23915    140 GLU   B HA   
3785 C C4   . A1INL C .   ? 0.344958 0.346309 0.283505 0.00577047  -0.00443166 0.0864578   201 A1INL A C4   
3786 C C14  . A1INL C .   ? 0.353804 0.391612 0.276458 -0.0249995  0.0352735   0.0546579   201 A1INL A C14  
3787 C C5   . A1INL C .   ? 0.367612 0.361533 0.315449 0.00056177  -0.0108737  0.105607    201 A1INL A C5   
3788 C C6   . A1INL C .   ? 0.429943 0.444882 0.365743 -0.0120346  -0.00982345 0.12457     201 A1INL A C6   
3789 C C11  . A1INL C .   ? 0.445622 0.450285 0.404807 -0.0301459  0.00904659  0.110919    201 A1INL A C11  
3790 C C7   . A1INL C .   ? 0.390445 0.433813 0.30335  -0.0186021  -0.00279312 0.11769     201 A1INL A C7   
3791 C C8   . A1INL C .   ? 0.502049 0.591041 0.383772 -0.0399104  0.0111249   0.128734    201 A1INL A C8   
3792 C C9   . A1INL C .   ? 0.464515 0.448734 0.433875 -0.0202519  -0.0191244  0.153691    201 A1INL A C9   
3793 C C10  . A1INL C .   ? 0.53905  0.538285 0.507553 -0.0367761  -0.00776551 0.160707    201 A1INL A C10  
3794 C C12  . A1INL C .   ? 0.42993  0.458399 0.372554 -0.0341569  0.0221153   0.0974335   201 A1INL A C12  
3795 C C13  . A1INL C .   ? 0.383435 0.409406 0.326328 -0.0281745  0.0289065   0.0718056   201 A1INL A C13  
3796 N N1   . A1INL C .   ? 0.498076 0.515504 0.451637 -0.0382762  0.00644218  0.136717    201 A1INL A N1   
3797 N N2   . A1INL C .   ? 0.537408 0.59418  0.462597 -0.0437284  0.0272193   0.111895    201 A1INL A N2   
3798 C C3   . A1INL C .   ? 0.309801 0.334804 0.23134  -0.00247788 0.00158783  0.0823765   201 A1INL A C3   
3799 N N3   . A1INL C .   ? 0.53486  0.586693 0.463994 -0.0463226  0.0175312   0.137611    201 A1INL A N3   
3800 C C1   . A1INL C .   ? 0.362486 0.432083 0.251955 -0.0200857  0.0100533   0.0655467   201 A1INL A C1   
3801 O O1   . A1INL C .   ? 0.361523 0.432601 0.251119 -0.0216504  0.00536835  0.0876721   201 A1INL A O1   
3802 C C2   . A1INL C .   ? 0.382206 0.428021 0.290235 -0.0141588  0.00194348  0.095051    201 A1INL A C2   
3803 O O2   . A1INL C .   ? 0.463274 0.53279  0.359094 -0.0292987  -0.00224513 0.134939    201 A1INL A O2   
3804 O O3   . A1INL C .   ? 0.451079 0.463239 0.394843 -0.0198406  -0.015183   0.150945    201 A1INL A O3   
3805 C C15  . A1INL C .   ? 0.334555 0.364511 0.24929  -0.0186109  0.0283393   0.0538293   201 A1INL A C15  
3806 O O4   . A1INL C .   ? 0.308684 0.314135 0.23585  -0.00709498 0.0207145   0.0521711   201 A1INL A O4   
3807 C C16  . A1INL C .   ? 0.309184 0.302889 0.239138 0.00070809  0.023064    0.0370531   201 A1INL A C16  
3808 O O5   . A1INL C .   ? 0.298958 0.29631  0.226722 -0.00086236 0.0297192   0.026009    201 A1INL A O5   
3809 C C17  . A1INL C .   ? 0.314001 0.289845 0.25139  0.013934    0.0152601   0.0356462   201 A1INL A C17  
3810 C C18  . A1INL C .   ? 0.347232 0.308664 0.295988 0.019059    0.0115627   0.0275665   201 A1INL A C18  
3811 C C19  . A1INL C .   ? 0.327061 0.282886 0.293252 0.0119248   0.00531695  0.0363996   201 A1INL A C19  
3812 C C20  . A1INL C .   ? 0.326605 0.272668 0.299615 0.0148713   -0.00426596 0.04865     201 A1INL A C20  
3813 C C21  . A1INL C .   ? 0.326208 0.288857 0.285312 0.0111635   -0.0005789  0.0601296   201 A1INL A C21  
3814 N N4   . A1INL C .   ? 0.309846 0.283591 0.253251 0.0158985   0.00684693  0.048723    201 A1INL A N4   
3815 C C22  . A1INL C .   ? 0.323458 0.307987 0.262114 0.0184548   0.0054434   0.0537348   201 A1INL A C22  
3816 O O6   . A1INL C .   ? 0.328925 0.324521 0.258995 0.0167109   0.011567    0.0472031   201 A1INL A O6   
3817 C C23  . A1INL C .   ? 0.33989  0.324671 0.287157 0.0205121   -0.004808   0.0701794   201 A1INL A C23  
3818 C C24  . A1INL C .   ? 0.331298 0.327468 0.280707 0.0308606   -0.00728508 0.0690502   201 A1INL A C24  
3819 C C25  . A1INL C .   ? 0.347379 0.347694 0.306886 0.0349378   -0.0185953  0.0852807   201 A1INL A C25  
3820 C C26  . A1INL C .   ? 0.372916 0.39217  0.339159 0.0455364   -0.020054   0.0825957   201 A1INL A C26  
3821 C C27  . A1INL C .   ? 0.33695  0.347704 0.31245  0.0635174   -0.0174802  0.0676232   201 A1INL A C27  
3822 C C28  . A1INL C .   ? 0.332312 0.336212 0.294566 0.0590931   -0.00656969 0.0544924   201 A1INL A C28  
3823 C C29  . A1INL C .   ? 0.328018 0.314227 0.283929 0.0477932   -0.00652303 0.0550047   201 A1INL A C29  
3824 H H17  . A1INL C .   ? 0.346311 0.378721 0.273221 -0.0208331  0.0384483   0.0411075   201 A1INL A H17  
3825 H H16  . A1INL C .   ? 0.363122 0.421688 0.275359 -0.0316128  0.0409528   0.0568307   201 A1INL A H16  
3826 H H5   . A1INL C .   ? 0.383437 0.35854  0.34619  0.00613049  -0.0170421  0.106819    201 A1INL A H5   
3827 H H13  . A1INL C .   ? 0.448336 0.432449 0.42064  -0.0228381  0.00263333  0.103639    201 A1INL A H13  
3828 H H7   . A1INL C .   ? 0.505366 0.618102 0.370022 -0.045456   0.01163     0.13708     201 A1INL A H7   
3829 H H8   . A1INL C .   ? 0.493841 0.57447  0.386965 -0.0432058  0.0137038   0.136871    201 A1INL A H8   
3830 H H6   . A1INL C .   ? 0.475243 0.563585 0.354281 -0.0377869  0.0166629   0.107971    201 A1INL A H6   
3831 H H10  . A1INL C .   ? 0.46307  0.433396 0.438986 -0.0115775  -0.0196383  0.1351      201 A1INL A H10  
3832 H H9   . A1INL C .   ? 0.494446 0.465228 0.47724  -0.0183302  -0.0292723  0.169665    201 A1INL A H9   
3833 H H11  . A1INL C .   ? 0.532909 0.549177 0.492615 -0.0451079  -0.00633879 0.180492    201 A1INL A H11  
3834 H H12  . A1INL C .   ? 0.522968 0.503991 0.512835 -0.0387173  -0.012034   0.163955    201 A1INL A H12  
3835 H H15  . A1INL C .   ? 0.378053 0.38441  0.330383 -0.0204013  0.0227849   0.0656505   201 A1INL A H15  
3836 H H14  . A1INL C .   ? 0.386128 0.421483 0.33657  -0.0336171  0.0344951   0.0716905   201 A1INL A H14  
3837 H H4   . A1INL C .   ? 0.320658 0.347995 0.23956  -0.00055721 0.00541616  0.0705834   201 A1INL A H4   
3838 H H2   . A1INL C .   ? 0.36381  0.449636 0.24191  -0.0261914  0.0110649   0.0588861   201 A1INL A H2   
3839 H H3   . A1INL C .   ? 0.349323 0.406548 0.242673 -0.0185245  0.0159603   0.0570278   201 A1INL A H3   
3840 H H1   . A1INL C .   ? 0.351575 0.417357 0.249709 -0.0143937  0.00582034  0.0659872   201 A1INL A H1   
3841 H H19  . A1INL C .   ? 0.329791 0.365019 0.236697 -0.0182387  0.0320328   0.0419545   201 A1INL A H19  
3842 H H18  . A1INL C .   ? 0.343322 0.38296  0.252399 -0.0225419  0.0251346   0.0661518   201 A1INL A H18  
3843 H H20  . A1INL C .   ? 0.310767 0.287609 0.242508 0.0187473   0.0176727   0.0302785   201 A1INL A H20  
3844 H H22  . A1INL C .   ? 0.326983 0.292106 0.273345 0.0175399   0.0166644   0.0207954   201 A1INL A H22  
3845 H H21  . A1INL C .   ? 0.332755 0.285624 0.281292 0.0294188   0.00753856  0.0221471   201 A1INL A H21  
3846 H H23  . A1INL C .   ? 0.331821 0.27874  0.307359 0.0157031   0.00107468  0.0287271   201 A1INL A H23  
3847 H H24  . A1INL C .   ? 0.331091 0.299435 0.29696  0.00174575  0.0110281   0.0422843   201 A1INL A H24  
3848 H H25  . A1INL C .   ? 0.33124  0.266271 0.306426 0.0263911   -0.00976526 0.0402473   201 A1INL A H25  
3849 H H26  . A1INL C .   ? 0.339645 0.280141 0.326191 0.00839718  -0.00872044 0.0574304   201 A1INL A H26  
3850 H H27  . A1INL C .   ? 0.334522 0.290349 0.300131 0.015997    -0.00796471 0.0670991   201 A1INL A H27  
3851 H H28  . A1INL C .   ? 0.329143 0.303538 0.285003 0.000418    0.00331999  0.0691323   201 A1INL A H28  
3852 H H29  . A1INL C .   ? 0.344959 0.313581 0.30373  0.0253963   -0.0107669  0.0714455   201 A1INL A H29  
3853 H H30  . A1INL C .   ? 0.325467 0.336169 0.266457 0.0248477   -0.00199603 0.0661869   201 A1INL A H30  
3854 H H31  . A1INL C .   ? 0.364546 0.347299 0.335382 0.0411958   -0.0249753  0.0877714   201 A1INL A H31  
3855 H H32  . A1INL C .   ? 0.359314 0.369062 0.311707 0.0247319   -0.0195218  0.0959998   201 A1INL A H32  
3856 H H34  . A1INL C .   ? 0.350357 0.385621 0.308565 0.0379389   -0.0146016  0.0795622   201 A1INL A H34  
3857 H H33  . A1INL C .   ? 0.369074 0.392716 0.342793 0.0485471   -0.0284968  0.0937859   201 A1INL A H33  
3858 H H36  . A1INL C .   ? 0.342995 0.37095  0.324098 0.0697561   -0.0161972  0.0664965   201 A1INL A H36  
3859 H H35  . A1INL C .   ? 0.357275 0.351445 0.342502 0.0722532   -0.0247188  0.0676575   201 A1INL A H35  
3860 H H38  . A1INL C .   ? 0.321283 0.339644 0.277741 0.0524816   -0.00014304 0.0538308   201 A1INL A H38  
3861 H H37  . A1INL C .   ? 0.331386 0.330734 0.29628  0.0712314   -0.00565501 0.0455167   201 A1INL A H37  
3862 H H39  . A1INL C .   ? 0.338107 0.308309 0.302405 0.0538399   -0.0127591  0.0537985   201 A1INL A H39  
3863 H H40  . A1INL C .   ? 0.321344 0.306714 0.269844 0.0459095   0.0001027   0.0467984   201 A1INL A H40  
3864 C C4   . A1INL D .   ? 0.525317 0.379887 0.379834 0.053734    0.0017889   0.123125    201 A1INL B C4   
3865 C C14  . A1INL D .   ? 0.554819 0.43576  0.40611  0.105748    -0.0937637  0.0577135   201 A1INL B C14  
3866 C C5   . A1INL D .   ? 0.555102 0.377016 0.393772 0.0612688   0.00036227  0.141708    201 A1INL B C5   
3867 C C6   . A1INL D .   ? 0.62491  0.426976 0.411878 0.0797214   -0.00116068 0.159369    201 A1INL B C6   
3868 C C11  . A1INL D .   ? 0.678385 0.486902 0.517322 0.107313    -0.0700778  0.113487    201 A1INL B C11  
3869 C C7   . A1INL D .   ? 0.623763 0.439835 0.374525 0.0914219   -0.00246445 0.155785    201 A1INL B C7   
3870 C C8   . A1INL D .   ? 0.732002 0.527716 0.399295 0.135057    -0.0349575  0.158113    201 A1INL B C8   
3871 C C9   . A1INL D .   ? 0.777625 0.526079 0.573506 0.0902141   -0.0171843  0.175176    201 A1INL B C9   
3872 C C10  . A1INL D .   ? 0.805227 0.547924 0.585323 0.115735    -0.0479763  0.166273    201 A1INL B C10  
3873 C C12  . A1INL D .   ? 0.694582 0.5255   0.524441 0.116097    -0.085618   0.0962575   201 A1INL B C12  
3874 C C13  . A1INL D .   ? 0.644198 0.507448 0.512273 0.107444    -0.094374   0.0683758   201 A1INL B C13  
3875 N N1   . A1INL D .   ? 0.767357 0.54605  0.558526 0.120308    -0.0657459  0.13887     201 A1INL B N1   
3876 N N2   . A1INL D .   ? 0.752194 0.567445 0.528146 0.136065    -0.0931444  0.109069    201 A1INL B N2   
3877 C C3   . A1INL D .   ? 0.524178 0.39036  0.344951 0.0643011   0.00228236  0.121553    201 A1INL B C3   
3878 N N3   . A1INL D .   ? 0.804711 0.587952 0.55428  0.139143    -0.079704   0.136586    201 A1INL B N3   
3879 C C1   . A1INL D .   ? 0.556992 0.440086 0.304531 0.0916377   -0.00322211 0.111587    201 A1INL B C1   
3880 O O1   . A1INL D .   ? 0.591657 0.447999 0.322326 0.0966959   -0.00148774 0.132795    201 A1INL B O1   
3881 C C2   . A1INL D .   ? 0.573056 0.421198 0.34296  0.0828451   8.504e-05   0.136313    201 A1INL B C2   
3882 O O2   . A1INL D .   ? 0.710828 0.505842 0.403033 0.112608    -0.00512284 0.172503    201 A1INL B O2   
3883 O O3   . A1INL D .   ? 0.704828 0.47024  0.46694  0.092387    -0.00597361 0.179107    201 A1INL B O3   
3884 C C15  . A1INL D .   ? 0.508618 0.393214 0.351871 0.0915615   -0.068417   0.0665756   201 A1INL B C15  
3885 O O4   . A1INL D .   ? 0.4325   0.321636 0.314258 0.0729599   -0.0540801  0.0667343   201 A1INL B O4   
3886 C C16  . A1INL D .   ? 0.424421 0.333374 0.338729 0.0611558   -0.0538058  0.0488845   201 A1INL B C16  
3887 O O5   . A1INL D .   ? 0.423326 0.344691 0.342676 0.0634815   -0.0647754  0.0331006   201 A1INL B O5   
3888 C C17  . A1INL D .   ? 0.433463 0.34492  0.375575 0.0443184   -0.0376595  0.0513017   201 A1INL B C17  
3889 C C18  . A1INL D .   ? 0.418352 0.334483 0.396826 0.0402127   -0.0446019  0.0375453   201 A1INL B C18  
3890 C C19  . A1INL D .   ? 0.439593 0.337813 0.421219 0.0510168   -0.0548835  0.0430323   201 A1INL B C19  
3891 C C20  . A1INL D .   ? 0.433481 0.308734 0.406321 0.0465132   -0.0422424  0.06208     201 A1INL B C20  
3892 C C21  . A1INL D .   ? 0.481998 0.350837 0.417693 0.0484435   -0.0320907  0.0799021   201 A1INL B C21  
3893 N N4   . A1INL D .   ? 0.431408 0.323968 0.363023 0.0421507   -0.0253627  0.0717137   201 A1INL B N4   
3894 C C22  . A1INL D .   ? 0.459639 0.355085 0.375456 0.0371096   -0.0088205  0.0834606   201 A1INL B C22  
3895 O O6   . A1INL D .   ? 0.42139  0.335014 0.330428 0.0365205   -0.00548913 0.076093    201 A1INL B O6   
3896 C C23  . A1INL D .   ? 0.47778  0.351514 0.38036  0.0347213   0.00619509  0.107521    201 A1INL B C23  
3897 C C24  . A1INL D .   ? 0.493608 0.384487 0.409645 0.0190313   0.0282363   0.112021    201 A1INL B C24  
3898 C C25  . A1INL D .   ? 0.546078 0.419781 0.45232  0.0132425   0.0485914   0.136719    201 A1INL B C25  
3899 C C26  . A1INL D .   ? 0.52216  0.42205  0.455049 -0.00374731 0.0689671   0.136234    201 A1INL B C26  
3900 C C27  . A1INL D .   ? 0.463486 0.380405 0.444668 -0.0202927  0.0660393   0.118746    201 A1INL B C27  
3901 C C28  . A1INL D .   ? 0.421952 0.351777 0.402351 -0.0116864  0.0466947   0.0972508   201 A1INL B C28  
3902 C C29  . A1INL D .   ? 0.459673 0.365899 0.420705 0.0019868   0.029745    0.0971515   201 A1INL B C29  
3903 H H17  . A1INL D .   ? 0.536301 0.433338 0.413527 0.101079    -0.101225   0.0407747   201 A1INL B H17  
3904 H H16  . A1INL D .   ? 0.594132 0.468472 0.414223 0.120205    -0.104115   0.060234    201 A1INL B H16  
3905 H H5   . A1INL D .   ? 0.56108  0.372488 0.422623 0.0545379   0.00046283  0.142387    201 A1INL B H5   
3906 H H13  . A1INL D .   ? 0.666591 0.478484 0.53676  0.0946555   -0.0631059  0.108717    201 A1INL B H13  
3907 H H7   . A1INL D .   ? 0.777637 0.558071 0.399519 0.150317    -0.0352306  0.170895    201 A1INL B H7   
3908 H H8   . A1INL D .   ? 0.723004 0.512773 0.409969 0.137468    -0.0499535  0.152807    201 A1INL B H8   
3909 H H6   . A1INL D .   ? 0.700847 0.518172 0.377144 0.133262    -0.0403036  0.140235    201 A1INL B H6   
3910 H H10  . A1INL D .   ? 0.713743 0.480272 0.54716  0.077205    -0.0165875  0.159495    201 A1INL B H10  
3911 H H9   . A1INL D .   ? 0.790085 0.512534 0.581193 0.0864922   -0.0060019  0.193322    201 A1INL B H9   
3912 H H11  . A1INL D .   ? 0.850832 0.573879 0.589847 0.130303    -0.0498373  0.182276    201 A1INL B H11  
3913 H H12  . A1INL D .   ? 0.802127 0.53378  0.605163 0.1163      -0.0551556  0.163472    201 A1INL B H12  
3914 H H15  . A1INL D .   ? 0.59514  0.464238 0.491468 0.0935397   -0.0838865  0.0650166   201 A1INL B H15  
3915 H H14  . A1INL D .   ? 0.627392 0.494386 0.507267 0.116812    -0.111592   0.0587277   201 A1INL B H14  
3916 H H4   . A1INL D .   ? 0.499829 0.384967 0.330346 0.0598389   0.00405542  0.110117    201 A1INL B H4   
3917 H H2   . A1INL D .   ? 0.5753   0.460057 0.292185 0.103519    -0.00588138 0.108681    201 A1INL B H2   
3918 H H3   . A1INL D .   ? 0.528977 0.417192 0.299446 0.0892128   -0.0177447  0.0970625   201 A1INL B H3   
3919 H H1   . A1INL D .   ? 0.536823 0.43096  0.303402 0.0793872   0.0127094   0.114078    201 A1INL B H1   
3920 H H19  . A1INL D .   ? 0.492293 0.389119 0.332866 0.0903823   -0.0697038  0.0560123   201 A1INL B H19  
3921 H H18  . A1INL D .   ? 0.534896 0.406516 0.348532 0.0972533   -0.0606622  0.082289    201 A1INL B H18  
3922 H H20  . A1INL D .   ? 0.404989 0.328126 0.349145 0.0374781   -0.0301956  0.0472683   201 A1INL B H20  
3923 H H22  . A1INL D .   ? 0.402312 0.330185 0.388375 0.0411273   -0.0512735  0.0256812   201 A1INL B H22  
3924 H H21  . A1INL D .   ? 0.399438 0.319266 0.392851 0.0299041   -0.0353266  0.0357302   201 A1INL B H21  
3925 H H23  . A1INL D .   ? 0.419373 0.323473 0.42583  0.0495506   -0.0586275  0.0323372   201 A1INL B H23  
3926 H H24  . A1INL D .   ? 0.451964 0.346801 0.416949 0.0629606   -0.0660027  0.0446918   201 A1INL B H24  
3927 H H25  . A1INL D .   ? 0.427671 0.30771  0.419355 0.034714    -0.0334414  0.0578986   201 A1INL B H25  
3928 H H26  . A1INL D .   ? 0.466335 0.325379 0.43974  0.0543381   -0.048853   0.0667991   201 A1INL B H26  
3929 H H27  . A1INL D .   ? 0.483457 0.340117 0.420089 0.0417799   -0.0208097  0.0916447   201 A1INL B H27  
3930 H H28  . A1INL D .   ? 0.496283 0.355505 0.408602 0.061836    -0.0410639  0.0857518   201 A1INL B H28  
3931 H H29  . A1INL D .   ? 0.488912 0.349677 0.408408 0.0310229   0.0039072   0.1088      201 A1INL B H29  
3932 H H30  . A1INL D .   ? 0.484439 0.390086 0.387081 0.0236872   0.0294757   0.107729    201 A1INL B H30  
3933 H H31  . A1INL D .   ? 0.555476 0.409754 0.472646 0.00942271  0.0470378   0.141992    201 A1INL B H31  
3934 H H32  . A1INL D .   ? 0.571249 0.436178 0.443527 0.024742    0.0504403   0.147619    201 A1INL B H32  
3935 H H34  . A1INL D .   ? 0.511442 0.428631 0.430734 0.00254119  0.0707347   0.131977    201 A1INL B H34  
3936 H H33  . A1INL D .   ? 0.548074 0.437428 0.477292 -0.00889624 0.0839741   0.152727    201 A1INL B H33  
3937 H H36  . A1INL D .   ? 0.459457 0.395715 0.45587  -0.028586   0.0773206   0.118189    201 A1INL B H36  
3938 H H35  . A1INL D .   ? 0.475567 0.375376 0.472015 -0.0271117  0.0649043   0.121261    201 A1INL B H35  
3939 H H38  . A1INL D .   ? 0.421245 0.365998 0.388812 -0.00594809 0.047988    0.0941361   201 A1INL B H38  
3940 H H37  . A1INL D .   ? 0.406731 0.34542  0.412696 -0.0200856  0.0436311   0.0857986   201 A1INL B H37  
3941 H H39  . A1INL D .   ? 0.460977 0.351912 0.435475 -0.00235762 0.0283887   0.099592    201 A1INL B H39  
3942 H H40  . A1INL D .   ? 0.429359 0.345464 0.395493 0.00485518  0.0195475   0.0831249   201 A1INL B H40  
# 
